"NCC12CC3(CO[N+](=O)[O-])CC(C2)(CC(C1)(C3)C)C" . "CC12CC3(C)CC(CN)(C1)CC(CO[N+](=O)[O-])(C2)C3" . "SYDDVDMTNCXIDJ-UHFFFAOYSA-N" . "InChI=1S/C14H24N2O3/c1-11-3-12(2)5-13(4-11,9-15)8-14(6-11,7-12)10-19-16(17)18/h3-10,15H2,1-2H3" . "SC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O" . "Cc1cn(c(=O)[nH]c1=O)[C@H]1C[C@@H]([C@H](O1)CS)O" . "CPEAGKYEYPXTSP-XLPZGREQSA-N" . "InChI=1S/C10H14N2O4S/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(4-17)16-8/h3,6-8,13,17H,2,4H2,1H3,(H,11,14,15)/t6-,7+,8+/m0/s1" . "[N-]=[N+]=NC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O" . "Cc1cn(c(=O)[nH]c1=O)[C@H]1C[C@@H]([C@H](O1)CN=[N+]=[N-])O" . "GKEHVJFBPNPCKI-XLPZGREQSA-N" . "InChI=1S/C10H13N5O4/c1-5-4-15(10(18)13-9(5)17)8-2-6(16)7(19-8)3-12-14-11/h4,6-8,16H,2-3H2,1H3,(H,13,17,18)/t6-,7+,8+/m0/s1" . "CCCOc1ccccc1C(=O)Nc1ccc(c(c1)C(F)(F)F)Cl" . "CCCOc1ccccc1C(=O)Nc1cc(c(cc1)Cl)C(F)(F)F" . "AQJBXYBDNZHZRE-UHFFFAOYSA-N" . "InChI=1S/C17H15ClF3NO2/c1-2-9-24-15-6-4-3-5-12(15)16(23)22-11-7-8-14(18)13(10-11)17(19,20)21/h3-8,10H,2,9H2,1H3,(H,22,23)" . "O=C(Nc1c(Cl)n(CC#Cc2ccc(c(c2)Cn2ccccc2=O)O)c(=O)n(c1=O)C)CCc1ccc(cc1)C" . "Clc1c(c(=O)n(c(=O)n1CC#Cc1cc(c(cc1)O)Cn1c(=O)cccc1)C)NC(=O)CCc1ccc(cc1)C" . "ATSRNJYTNQHJIO-UHFFFAOYSA-N" . "InChI=1S/C30H27ClN4O5/c1-20-8-10-21(11-9-20)13-15-25(37)32-27-28(31)35(30(40)33(2)29(27)39)17-5-6-22-12-14-24(36)23(18-22)19-34-16-4-3-7-26(34)38/h3-4,7-12,14,16,18,36H,13,15,17,19H2,1-2H3,(H,32,37)" . "CN1CCN(CC1)CCc1ccc(c(c1)Cl)Cl" . "CN1CCN(CC1)CCc1cc(c(cc1)Cl)Cl" . "SUIZRDJCBVPASY-UHFFFAOYSA-N" . "InChI=1S/C13H18Cl2N2/c1-16-6-8-17(9-7-16)5-4-11-2-3-12(14)13(15)10-11/h2-3,10H,4-9H2,1H3" . "C[C@@H]1CN(CCN1C(=O)C)c1cc(nnc1N)c1ccccc1O" . "C[C@@H]1CN(CCN1C(=O)C)c1cc(nnc1N)c1ccccc1O" . "FHRKRGDHMCCDEO-LLVKDONJSA-N" . "InChI=1S/C17H21N5O2/c1-11-10-21(7-8-22(11)12(2)23)15-9-14(19-20-17(15)18)13-5-3-4-6-16(13)24/h3-6,9,11,24H,7-8,10H2,1-2H3,(H2,18,20)/t11-/m1/s1" . "COC(=O)NCCCn1nc(c2c1nc(C)cc2)[C@H](N(C(=O)[C@H]1CNCCO1)C1CC1)C" . "COC(=O)NCCCn1nc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2ccc(C)nc12" . "GRTDDIZIUSADLD-CRAIPNDOSA-N" . "InChI=1S/C22H32N6O4/c1-14-5-8-17-19(26-27(20(17)25-14)11-4-9-24-22(30)31-3)15(2)28(16-6-7-16)21(29)18-13-23-10-12-32-18/h5,8,15-16,18,23H,4,6-7,9-13H2,1-3H3,(H,24,30)/t15-,18-/m1/s1" . "Cc1nnc(s1)SCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)Cn1cc(Cl)c(=O)c(c1)Cl" . "Cc1nnc(s1)SCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)Cn2cc(c(=O)c(c2)Cl)Cl)SC1)C(=O)O" . "VTLCNEGVSVJLDN-MLGOLLRUSA-N" . "InChI=1S/C18H15Cl2N5O5S3/c1-7-22-23-18(33-7)32-6-8-5-31-16-12(15(28)25(16)13(8)17(29)30)21-11(26)4-24-2-9(19)14(27)10(20)3-24/h2-3,12,16H,4-6H2,1H3,(H,21,26)(H,29,30)/t12-,16-/m1/s1" . "O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)C)CSc1ccncc1" . "CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSc2ccncc2)SC1)C(=O)O" . "UQLLWWBDSUHNEB-CZUORRHYSA-N" . "InChI=1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)/t13-,16-/m1/s1" . "CC(=O)OCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)[C@@H](c1ccccc1)N" . "CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c2ccccc2)N)SC1)C(=O)O" . "FUBBGQLTSCSAON-PBFPGSCMSA-N" . "InChI=1S/C18H19N3O6S/c1-9(22)27-7-11-8-28-17-13(16(24)21(17)14(11)18(25)26)20-15(23)12(19)10-5-3-2-4-6-10/h2-6,12-13,17H,7-8,19H2,1H3,(H,20,23)(H,25,26)/t12-,13-,17-/m1/s1" . "O=C([C@@H](c1ccc(cc1)O)N)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1n[nH]nc1" . "C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c1ccc(cc1)O)N)C(=O)O)CSc1n[nH]nc1" . "UOCJDOLVGGIYIQ-PBFPGSCMSA-N" . "InChI=1S/C18H18N6O5S2/c19-12(8-1-3-10(25)4-2-8)15(26)21-13-16(27)24-14(18(28)29)9(7-31-17(13)24)6-30-11-5-20-23-22-11/h1-5,12-13,17,25H,6-7,19H2,(H,21,26)(H,28,29)(H,20,22,23)/t12-,13-,17-/m1/s1" . "CC(=O)OCC1=C(N2[C@H](SC1)[C@@H](C2=O)NC(=O)CC#N)C(=O)O" . "CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC#N)SC1)C(=O)O" . "RRYMAQUWDLIUPV-BXKDBHETSA-N" . "InChI=1S/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)/t9-,12-/m1/s1" . "Nc1ncc2c(n1)c1c(CCC2)[nH]c2c1cc(C#CC(O)(C)C)cc2" . "CC(C)(C#Cc1cc2c(cc1)[nH]c1c2c2c(CCC1)cnc(n2)N)O" . "DGLFSNZWRYADFC-UHFFFAOYSA-N" . "InChI=1S/C20H20N4O/c1-20(2,25)9-8-12-6-7-15-14(10-12)17-16(23-15)5-3-4-13-11-22-19(21)24-18(13)17/h6-7,10-11,23,25H,3-5H2,1-2H3,(H2,21,22,24)" . "CN(CC#Cc1ccc2c(c1)c1c([nH]2)CCCc2c1nc(N)nc2)C" . "Nc1ncc2CCCc3c(c2n1)c1c([nH]3)ccc(c1)C#CCN(C)C" . "DORZPJWJOBMQKC-UHFFFAOYSA-N" . "InChI=1S/C20H21N5/c1-25(2)10-4-5-13-8-9-16-15(11-13)18-17(23-16)7-3-6-14-12-22-20(21)24-19(14)18/h8-9,11-12,23H,3,6-7,10H2,1-2H3,(H2,21,22,24)" . "CCOCc1cnc(nc1Oc1ccc2c(n1)ccc1c2c2NC[C@H](NC(=O)c2s1)C)Cl" . "CCOCc1cnc(nc1Oc1nc2c(cc1)c1c(cc2)sc2c1NC[C@H](NC2=O)C)Cl" . "PYOQIOLRFIRRSO-LLVKDONJSA-N" . "InChI=1S/C22H20ClN5O3S/c1-3-30-10-12-9-25-22(23)28-21(12)31-16-7-4-13-14(27-16)5-6-15-17(13)18-19(32-15)20(29)26-11(2)8-24-18/h4-7,9,11,24H,3,8,10H2,1-2H3,(H,26,29)/t11-/m1/s1" . "OC[C@@H](N(C(=O)c1cc(ccc1C)c1c(C)nn2c1nc(cc2NCc1cccc(c1)c1nccn1C)C(O)(C)C)C)C" . "Cc1c(cc(cc1)c1c2nc(cc(n2nc1C)NCc1cc(ccc1)c1nccn1C)C(C)(C)O)C(=O)N(C)[C@@H](C)CO" . "LGILUCRVDGGDMI-NRFANRHFSA-N" . "InChI=1S/C33H39N7O3/c1-20-11-12-24(16-26(20)32(42)39(7)21(2)19-41)29-22(3)37-40-28(17-27(33(4,5)43)36-31(29)40)35-18-23-9-8-10-25(15-23)30-34-13-14-38(30)6/h8-17,21,35,41,43H,18-19H2,1-7H3/t21-/m0/s1" . "O=C(Cc1ccc(cn1)c1ccc(cc1)N1CCC1)NCc1ccccc1" . "N1(CCC1)c1ccc(cc1)c1ccc(nc1)CC(=O)NCc1ccccc1" . "KUPDBUBFYCYCNJ-UHFFFAOYSA-N" . "InChI=1S/C23H23N3O/c27-23(25-16-18-5-2-1-3-6-18)15-21-10-7-20(17-24-21)19-8-11-22(12-9-19)26-13-4-14-26/h1-3,5-12,17H,4,13-16H2,(H,25,27)" . "O=c1onc([nH]1)[C@@]1(C[C@@H]1C)n1c(cc2c1ccc(c2)[C@H]1CCOC(C1)(C)C)C(=O)N1CCc2c([C@@H]1C)c(n(n2)c1cc(C)c(c(c1)C)F)n1ccn(c1=O)c1ccc2c(c1F)cnn2C" . "C[C@H]1C[C@]1(c1noc(=O)[nH]1)n1c2c(cc(cc2)[C@H]2CCOC(C2)(C)C)cc1C(=O)N1CCc2nn(c(c2[C@@H]1C)n1ccn(c1=O)c1c(c2c(cc1)n(nc2)C)F)c1cc(c(c(c1)C)F)C" . "USUWIEBBBWHKNI-KHIFEHGGSA-N" . "InChI=1S/C48H48F2N10O5/c1-25-18-32(19-26(2)40(25)49)60-42(58-16-15-57(46(58)63)37-11-10-36-33(41(37)50)24-51-55(36)7)39-28(4)56(14-12-34(39)53-60)43(61)38-21-31-20-29(30-13-17-64-47(5,6)23-30)8-9-35(31)59(38)48(22-27(48)3)44-52-45(62)65-54-44/h8-11,15-16,18-21,24,27-28,30H,12-14,17,22-23H2,1-7H3,(H,52,54,62)/t27-,28-,30-,48-/m0/s1" . "CC(C[C@@H](B(O)O)NC(=O)[C@@H](NC(=O)c1c(F)cccc1F)Cc1ccccc1)C" . "OB([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(F)cccc1F)O" . "QTRFWSIBLJYXFJ-ROUUACIJSA-N" . "InChI=1S/C21H25BF2N2O4/c1-13(2)11-18(22(29)30)26-20(27)17(12-14-7-4-3-5-8-14)25-21(28)19-15(23)9-6-10-16(19)24/h3-10,13,17-18,29-30H,11-12H2,1-2H3,(H,25,28)(H,26,27)/t17-,18-/m0/s1" . "CCN1CCC(CC1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2c1CCC2" . "CCN1CCC(CC1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2c1CCC2" . "OHIFQOUPTWBQLE-UHFFFAOYSA-N" . "InChI=1S/C20H29N3O3S/c1-2-23-11-9-16(10-12-23)27(25,26)22-20(24)21-19-17-7-3-5-14(17)13-15-6-4-8-18(15)19/h13,16H,2-12H2,1H3,(H2,21,22,24)" . "[O-]C(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1cc[n+](n1)C" . "C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)[O-])Cn1cc[n+](n1)C" . "HFZITXBUTWITPT-YWVKMMECSA-N" . "InChI=1S/C11H14N4O5S/c1-11(6-14-4-3-13(2)12-14)9(10(17)18)15-7(16)5-8(15)21(11,19)20/h3-4,8-9H,5-6H2,1-2H3/t8-,9+,11+/m1/s1" . "CCNNC(=O)c1ccc(cc1)CN1c2ccccc2C=Cc2c1cncc2" . "O=C(NNCC)c1ccc(cc1)CN1c2ccccc2C=Cc2c1cncc2" . "ZNRZSMMDQXGEGA-UHFFFAOYSA-N" . "InChI=1S/C23H22N4O/c1-2-25-26-23(28)20-9-7-17(8-10-20)16-27-21-6-4-3-5-18(21)11-12-19-13-14-24-15-22(19)27/h3-15,25H,2,16H2,1H3,(H,26,28)" . "C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1CN[C@@H](C1)CNS(=O)(=O)N)O" . "C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]1C[C@H](NC1)CNS(=O)(=O)N)C(=O)O)[C@@H](C)O" . "AVAACINZEOAHHE-VFZPANTDSA-N" . "InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1" . "O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccccc1)Cc1cccs1" . "C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc1cccs1)C(=O)[O-])C[n+]1ccccc1" . "CZTQZXZIADLWOZ-CRAIPNDOSA-N" . "InChI=1S/C19H17N3O4S2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21/h1-8,15,18H,9-11H2,(H-,20,23,25,26)/t15-,18-/m1/s1" . "C[C@H]([C@H]1C(=O)N2[C@@H]1CC(=C2C(=O)O)S[C@H]1CCN(C1)C(=N)C)O" . "C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)S[C@H]1CCN(C1)C(=N)C)O" . "TYMABNNERDVXID-DLYFRVTGSA-N" . "InChI=1S/C15H21N3O4S/c1-7(19)12-10-5-11(13(15(21)22)18(10)14(12)20)23-9-3-4-17(6-9)8(2)16/h7,9-10,12,16,19H,3-6H2,1-2H3,(H,21,22)/t7-,9+,10-,12-/m1/s1" . "O=C(NS(=O)(=O)c1ccn(n1)C(C)C)Nc1c2CCCc2cc2c1CCC2" . "CC(C)n1ccc(n1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2c1CCC2" . "MTOUOUSKXWSTAX-UHFFFAOYSA-N" . "InChI=1S/C19H24N4O3S/c1-12(2)23-10-9-17(21-23)27(25,26)22-19(24)20-18-15-7-3-5-13(15)11-14-6-4-8-16(14)18/h9-12H,3-8H2,1-2H3,(H2,20,22,24)" . "CN1CCC(CC1)n1c(C)nc2c1c1cc(ccc1nc2)c1cc(Cl)c(c(c1)Cl)O" . "Oc1c(Cl)cc(c2ccc3ncc4nc(C)n(C5CCN(C)CC5)c4c3c2)cc1Cl" . "JEESDVDVWGRNFE-UHFFFAOYSA-N" . "InChI=1S/C23H22Cl2N4O/c1-13-27-21-12-26-20-4-3-14(15-10-18(24)23(30)19(25)11-15)9-17(20)22(21)29(13)16-5-7-28(2)8-6-16/h3-4,9-12,16,30H,5-8H2,1-2H3" . "FCOc1ccccc1c1ccc(cc1)S(=O)(=N)C" . "N=S(=O)(c1ccc(c2ccccc2OCF)cc1)C" . "VCSBOASGFYJGGT-UHFFFAOYSA-N" . "InChI=1S/C14H14FNO2S/c1-19(16,17)12-8-6-11(7-9-12)13-4-2-3-5-14(13)18-10-15/h2-9,16H,10H2,1H3" . "O=C1N(C)c2cnc(nc2N(C1c1ccccc1C)C)Nc1ccc(cc1)S(=O)(=O)N" . "CN1c2cnc(Nc3ccc(S(=O)(=O)N)cc3)nc2N(C)C(c2ccccc2C)C1=O" . "FWEIAKDAIDQPRK-UHFFFAOYSA-N" . "InChI=1S/C21H22N6O3S/c1-13-6-4-5-7-16(13)18-20(28)26(2)17-12-23-21(25-19(17)27(18)3)24-14-8-10-15(11-9-14)31(22,29)30/h4-12,18H,1-3H3,(H2,22,29,30)(H,23,24,25)" . "CN(CC(=O)Nc1ccc2c(c1)c1ccccc1c(=O)[nH]2)C" . "CN(CC(=O)Nc1ccc2c(c1)c1ccccc1c(=O)[nH]2)C" . "UYJZZVDLGDDTCL-UHFFFAOYSA-N" . "InChI=1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)" . "NCc1cc(nn1[C@@H]1CN([C@H](C1)c1cc2c(n1Cc1ccc(cc1)Cl)ccc(c2)C)C(=O)c1cnc2c(c1)cc([nH]2)C)C" . "Clc1ccc(cc1)Cn1c2ccc(C)cc2cc1[C@@H]1N(C(=O)c2cnc3c(cc(C)[nH]3)c2)C[C@@H](n2nc(C)cc2CN)C1" . "LJMIMBZGIMDSPE-BHDXBOSCSA-N" . "InChI=1S/C34H34ClN7O/c1-20-4-9-30-24(10-20)14-31(40(30)18-23-5-7-27(35)8-6-23)32-15-29(42-28(16-36)12-22(3)39-42)19-41(32)34(43)26-13-25-11-21(2)38-33(25)37-17-26/h4-14,17,29,32H,15-16,18-19,36H2,1-3H3,(H,37,38)/t29-,32+/m0/s1" . "O=C(N[C@@H](c1ccccc1)c1cccc(c1)OCc1cc(nn1C)C(=O)OCCCCNC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O)O[C@H]1CN2CCC1CC2" . "O=C(O[C@@H]1C2CCN(CC2)C1)N[C@@H](c1ccccc1)c1cc(OCc2cc(C(=O)OCCCCNC[C@H](O)c3c4ccc(=O)[nH]c4c(O)cc3)nn2C)ccc1" . "YWSIONULMMKTSJ-UZGNFBRWSA-N" . "InChI=1S/C42H48N6O8/c1-47-30(23-34(46-47)41(52)54-21-6-5-18-43-24-36(50)32-12-14-35(49)40-33(32)13-15-38(51)44-40)26-55-31-11-7-10-29(22-31)39(28-8-3-2-4-9-28)45-42(53)56-37-25-48-19-16-27(37)17-20-48/h2-4,7-15,22-23,27,36-37,39,43,49-50H,5-6,16-21,24-26H2,1H3,(H,44,51)(H,45,53)/t36-,37-,39-/m0/s1" . "Cc1cc(ccc1Oc1ccc2c(c1)ncn2C)Nc1ncnc2c1nc(nc2)N1CCNCC1" . "Cc1cc(ccc1Oc1cc2c(n(cn2)C)cc1)Nc1c2c(ncn1)cnc(n2)N1CCNCC1" . "GBSWEJRAVNWKCB-UHFFFAOYSA-N" . "InChI=1S/C25H25N9O/c1-16-11-17(3-6-22(16)35-18-4-5-21-19(12-18)30-15-33(21)2)31-24-23-20(28-14-29-24)13-27-25(32-23)34-9-7-26-8-10-34/h3-6,11-15,26H,7-10H2,1-2H3,(H,28,29,31)" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)O[C@H]1[C@H](O[C@H]2O[C@H](CN)[C@H]([C@@H]([C@H]2N)O)O)[C@@H](N)C[C@H]([C@@H]1O)N" . "C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CN)O)O)N)O[C@H]1[C@@H]([C@@H]([C@H](O1)CO)O)O)O)N" . "NSKGQURZWSPSBC-VVPCINPTSA-N" . "InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1" . "OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H]([C@H]([C@@H]3N=C(N)N)O)N=C(N)N)O[C@H]([C@]2(O)CO)C)[C@H]([C@@H]([C@H]1O)O)NC" . "C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)N=C(N)N)O)N=C(N)N)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)NC)(CO)O" . "ASXBYYWOLISCLQ-HZYVHMACSA-N" . "InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1" . "CNC[C@@H]1CC[C@H]([C@H](O1)O[C@@H]1[C@@H](N)C[C@H]([C@@H]([C@H]1O)O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)N)N" . "C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]1[C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@@H]1[C@@H](CC[C@H](O1)CNC)N)N)N)O" . "DNYGXMICFMACRA-XHEDQWPISA-N" . "InChI=1S/C20H41N5O7/c1-20(28)8-29-19(14(27)17(20)25-3)32-16-12(23)6-11(22)15(13(16)26)31-18-10(21)5-4-9(30-18)7-24-2/h9-19,24-28H,4-8,21-23H2,1-3H3/t9-,10+,11-,12+,13-,14+,15+,16-,17+,18+,19+,20-/m0/s1" . "COc1ncc(c(c1)[C@H](C(=O)N1CC[C@]2(C1)CCc1c(N2)nc(c(c1)c1ncccn1)C)C)F" . "Cc1c(cc2CC[C@@]3(CCN(C3)C(=O)[C@H](C)c3cc(ncc3F)OC)Nc2n1)c1ncccn1" . "PARGFYLSRQUWHR-BZQUYTCOSA-N" . "InChI=1S/C25H27FN6O2/c1-15(18-12-21(34-3)29-13-20(18)26)24(33)32-10-7-25(14-32)6-5-17-11-19(16(2)30-22(17)31-25)23-27-8-4-9-28-23/h4,8-9,11-13,15H,5-7,10,14H2,1-3H3,(H,30,31)/t15-,25+/m1/s1" . "COc1cc(cc2c1C(=O)N(CC2)CC(F)(F)F)c1cnc2n1ccc(c2)OCCN1CCOCC1" . "COc1cc(cc2c1C(=O)N(CC2)CC(F)(F)F)c1cnc2n1ccc(c2)OCCN1CCOCC1" . "XASOHFCUIQARJT-UHFFFAOYSA-N" . "InChI=1S/C25H27F3N4O4/c1-34-21-13-18(12-17-2-4-31(16-25(26,27)28)24(33)23(17)21)20-15-29-22-14-19(3-5-32(20)22)36-11-8-30-6-9-35-10-7-30/h3,5,12-15H,2,4,6-11,16H2,1H3" . "Oc1ccc(nc1)[C@H](CN1C[C@@H]2[C@H](C1)CC(C2)Oc1ccccc1F)O" . "C1[C@@H]2CN(C[C@@H]2CC1Oc1ccccc1F)C[C@@H](c1ncc(cc1)O)O" . "NEFQLCKWVRZEJA-ZWVKXQFTSA-N" . "InChI=1S/C20H23FN2O3/c21-17-3-1-2-4-20(17)26-16-7-13-10-23(11-14(13)8-16)12-19(25)18-6-5-15(24)9-22-18/h1-6,9,13-14,16,19,24-25H,7-8,10-12H2/t13-,14+,16?,19-/m0/s1" . "CO[C@@H]1CC[C@H]1NC(=O)c1cnn2c1nc(Nc1cccn(c1=O)c1ccccn1)cc2NC" . "CNc1cc(nc2c(cnn12)C(=O)N[C@@H]1CC[C@H]1OC)Nc1cccn(c1=O)c1ccccn1" . "BWINBHTTZLVXGT-NVXWUHKLSA-N" . "InChI=1S/C23H24N8O3/c1-24-20-12-18(27-16-6-5-11-30(23(16)33)19-7-3-4-10-25-19)29-21-14(13-26-31(20)21)22(32)28-15-8-9-17(15)34-2/h3-7,10-13,15,17,24H,8-9H2,1-2H3,(H,27,29)(H,28,32)/t15-,17-/m1/s1" . "Clc1ccc(c(c1)[C@H](N)C)Cn1c(=S)[nH]c(=O)c2c1cc[nH]2" . "C[C@H](c1c(ccc(c1)Cl)Cn1c2c(c(=O)[nH]c1=S)[nH]cc2)N" . "BHKKSKOHRFHHIN-MRVPVSSYSA-N" . "InChI=1S/C15H15ClN4OS/c1-8(17)11-6-10(16)3-2-9(11)7-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,8,18H,7,17H2,1H3,(H,19,21,22)/t8-/m1/s1" . "OCCN1CCC[C@@H](C1)C1CN(C1)c1cnc2c(n1)n(nc2C(F)(F)F)[C@@H](c1ccc(cc1Cl)Cl)C" . "C[C@H](c1c(cc(cc1)Cl)Cl)n1c2nc(cnc2c(n1)C(F)(F)F)N1CC(C1)[C@H]1CCCN(C1)CCO" . "AKSVALRPYDVQBS-CABCVRRESA-N" . "InChI=1S/C24H27Cl2F3N6O/c1-14(18-5-4-17(25)9-19(18)26)35-23-21(22(32-35)24(27,28)29)30-10-20(31-23)34-12-16(13-34)15-3-2-6-33(11-15)7-8-36/h4-5,9-10,14-16,36H,2-3,6-8,11-13H2,1H3/t14-,15+/m1/s1" . "Fc1ccc(c(c1)F)Oc1ncc(nc1)NC(=O)[C@@H](N1CCC([C@H](C1)c1cc[n+](cc1)[O-])(F)F)C" . "C[C@@H](C(=O)Nc1ncc(nc1)Oc1c(cc(cc1)F)F)N1CCC([C@H](C1)c1cc[n+](cc1)[O-])(F)F" . "UOCITXUZOXOHLH-WMLDXEAASA-N" . "InChI=1S/C23H21F4N5O3/c1-14(31-9-6-23(26,27)17(13-31)15-4-7-32(34)8-5-15)22(33)30-20-11-29-21(12-28-20)35-19-3-2-16(24)10-18(19)25/h2-5,7-8,10-12,14,17H,6,9,13H2,1H3,(H,28,30,33)/t14-,17+/m0/s1" . "CC(OC(=O)N1CCC(CC1)Oc1ncnc2c1cnn2c1ccc(cc1F)S(=O)(=O)C)C" . "CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2c1cnn2c1c(cc(cc1)S(=O)(=O)C)F" . "XTRUQJBVQBUKSQ-UHFFFAOYSA-N" . "InChI=1S/C21H24FN5O5S/c1-13(2)31-21(28)26-8-6-14(7-9-26)32-20-16-11-25-27(19(16)23-12-24-20)18-5-4-15(10-17(18)22)33(3,29)30/h4-5,10-14H,6-9H2,1-3H3" . "CCCCC#Cc1nc(N)c2c(n1)n([C@@H]1OC[C@H]([C@H]1O)O)c(n2)c1cccs1" . "O[C@H]1[C@@H](O)[C@H](n2c3nc(C#CCCCC)nc(N)c3nc2c2cccs2)OC1" . "MUHXGASCCALSAJ-PRIMNGNOSA-N" . "InChI=1S/C19H21N5O3S/c1-2-3-4-5-8-13-21-16(20)14-18(22-13)24(19-15(26)11(25)10-27-19)17(23-14)12-7-6-9-28-12/h6-7,9,11,15,19,25-26H,2-4,10H2,1H3,(H2,20,21,22)/t11-,15-,19-/m1/s1" . "OC(=O)[C@H]1N=C(SC1(C)C)Nc1ccccc1O" . "CC1([C@H](N=C(S1)Nc1ccccc1O)C(=O)O)C" . "OASISJWJIHWVKX-SECBINFHSA-N" . "InChI=1S/C12H14N2O3S/c1-12(2)9(10(16)17)14-11(18-12)13-7-5-3-4-6-8(7)15/h3-6,9,15H,1-2H3,(H,13,14)(H,16,17)/t9-/m1/s1" . "OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@@H]([C@@H]([C@H]2O)n2nnc(c2)c2cccc(c2)F)O)[C@@H]([C@H]([C@H]1O)n1nnc(c1)c1cccc(c1)F)O" . "c1cc(cc(c1)F)c1cn(nn1)[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)n1cc(nn1)c1cc(ccc1)F)O)CO)O" . "YGIDGBAHDZEYMT-MQFIMZJJSA-N" . "InChI=1S/C28H30F2N6O8S/c29-15-5-1-3-13(7-15)17-9-35(33-31-17)21-23(39)19(11-37)43-27(25(21)41)45-28-26(42)22(24(40)20(12-38)44-28)36-10-18(32-34-36)14-4-2-6-16(30)8-14/h1-10,19-28,37-42H,11-12H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1" . "O=C(CNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCOCCOCCN1CCN(CC1)c1ccc(cc1)Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl" . "O=C1C(CCC(=O)N1)N1C(=O)c2c(C1=O)cccc2NCC(=O)NCCOCCOCCN1CCN(CC1)c1ccc(cc1)Nc1nc(Nc2c(cccc2)S(=O)(=O)C(C)C)c(cn1)Cl" . "YNGWQHGVASHCBK-UHFFFAOYSA-N" . "InChI=1S/C44H51ClN10O9S/c1-28(2)65(61,62)36-9-4-3-7-33(36)50-40-32(45)26-48-44(52-40)49-29-10-12-30(13-11-29)54-19-17-53(18-20-54)21-23-64-25-24-63-22-16-46-38(57)27-47-34-8-5-6-31-39(34)43(60)55(42(31)59)35-14-15-37(56)51-41(35)58/h3-13,26,28,35,47H,14-25,27H2,1-2H3,(H,46,57)(H,51,56,58)(H2,48,49,50,52)" . "O[C@H]1C[C@@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOCCNC(=O)CN(c1nc(NCCc2cccs2)nc(n1)N1CCCN(CC1)C(=O)C)C)C(=O)NCc1ccc(cc1)c1scnc1C" . "CN(CC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccc(cc1)c1c(C)ncs1)C(C)(C)C)c1nc(NCCc2cccs2)nc(n1)N1CCCN(CC1)C(=O)C" . "IXTMPMLKABNFTQ-LLIFGLRNSA-N" . "InChI=1S/C49H70N12O9S2/c1-33-42(72-32-53-33)36-12-10-35(11-13-36)28-52-44(66)39-27-37(63)29-61(39)45(67)43(49(3,4)5)54-41(65)31-70-25-24-69-23-22-68-21-16-50-40(64)30-58(6)47-55-46(51-15-14-38-9-7-26-71-38)56-48(57-47)60-18-8-17-59(19-20-60)34(2)62/h7,9-13,26,32,37,39,43,63H,8,14-25,27-31H2,1-6H3,(H,50,64)(H,52,66)(H,54,65)(H,51,55,56,57)/t37-,39+,43+/m0/s1" . "OC(=O)/C=C/c1ccc(cc1)Oc1c(sc2c1ccc(c2)O)c1ccc(cc1C(F)(F)C)F" . "FC(C)(F)c1c(ccc(c1)F)c1c(c2c(s1)cc(cc2)O)Oc1ccc(cc1)/C=C/C(=O)O" . "SJXNPGGVGZXKKI-NYYWCZLTSA-N" . "InChI=1S/C25H17F3O4S/c1-25(27,28)20-12-15(26)5-9-18(20)24-23(19-10-6-16(29)13-21(19)33-24)32-17-7-2-14(3-8-17)4-11-22(30)31/h2-13,29H,1H3,(H,30,31)/b11-4+" . "O[C@@H](COc1ccc(c(c1)OCCCc1ccccc1)OCc1ccccc1)CNCCOCCOCCOc1ccc(cc1)c1c(nn2c1nc(cc2C(F)(F)F)C(F)(F)F)c1ccccc1" . "O[C@H](CNCCOCCOCCOc1ccc(cc1)c1c2nc(cc(n2nc1c1ccccc1)C(F)(F)F)C(F)(F)F)COc1cc(OCCCc2ccccc2)c(OCc2ccccc2)cc1" . "RFLBGKJLIDOOAA-RRHRGVEJSA-N" . "InChI=1S/C51H50F6N4O7/c52-50(53,54)45-32-46(51(55,56)57)61-49(59-45)47(48(60-61)39-16-8-3-9-17-39)38-18-20-41(21-19-38)65-30-29-64-28-27-63-26-24-58-33-40(62)35-67-42-22-23-43(68-34-37-13-6-2-7-14-37)44(31-42)66-25-10-15-36-11-4-1-5-12-36/h1-9,11-14,16-23,31-32,40,58,62H,10,15,24-30,33-35H2/t40-/m1/s1" . "COc1cc(ccc1Nc1ncc2c(n1)N(CC1CCCCC1)[C@@H](c1n2c(C)nn1)CC)C(=O)NC1CCN(CC1)C" . "CC[C@H]1N(CC2CCCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2n2c(C)nnc12" . "QUMCIHKVKQYNPA-RUZDIDTESA-N" . "InChI=1S/C31H43N9O2/c1-5-25-29-37-36-20(2)40(29)26-18-32-31(35-28(26)39(25)19-21-9-7-6-8-10-21)34-24-12-11-22(17-27(24)42-4)30(41)33-23-13-15-38(3)16-14-23/h11-12,17-18,21,23,25H,5-10,13-16,19H2,1-4H3,(H,33,41)(H,32,34,35)/t25-/m1/s1" . "OC[C@H]1O[C@H](O[C@H]2[C@H](N)C[C@@H]([C@H]([C@@H]2O)O[C@H]2O[C@H](CN)[C@H]([C@@H]([C@H]2O)O)O)N)[C@@H]([C@H]([C@@H]1O)N)O" . "C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CN)O)O)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)N)O)N" . "SBUJHOSQTJFQJX-NOAMYHISSA-N" . "InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1" . "NC(=O)N" . "NC(=O)N" . "XSQUKJJJFZCRTK-UHFFFAOYSA-N" . "InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)" . "COc1cc(ccc1Nc1ncc2c(n1)N(CC1CCCCC1)[C@@H](c1n2c(C)nn1)CC)C(=O)NC1CCN(CC1)C(=O)COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O" . "C1(CCCCC1)CN1[C@@H](c2n(c3cnc(nc13)Nc1c(cc(C(=O)NC3CCN(CC3)C(=O)COc3c4C(=O)N(C(=O)c4ccc3)C3C(=O)NC(=O)CC3)cc1)OC)c(nn2)C)CC" . "AORZPRLVKUMTOJ-XGDNGBMYSA-N" . "InChI=1S/C45H51N11O8/c1-4-31-40-52-51-25(2)55(40)33-22-46-45(50-39(33)54(31)23-26-9-6-5-7-10-26)48-30-14-13-27(21-35(30)63-3)41(59)47-28-17-19-53(20-18-28)37(58)24-64-34-12-8-11-29-38(34)44(62)56(43(29)61)32-15-16-36(57)49-42(32)60/h8,11-14,21-22,26,28,31-32H,4-7,9-10,15-20,23-24H2,1-3H3,(H,47,59)(H,46,48,50)(H,49,57,60)/t31-,32?/m1/s1" . "COc1ccc2c(c1)C(=N[C@H](c1n2c(C)nn1)[C@H](C(=O)NCCCCCNC(=O)COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)C)c1ccc(cc1)Cl" . "Clc1ccc(C2=N[C@H](c3nnc(n3c3c2cc(cc3)OC)C)[C@H](C(=O)NCCCCCNC(=O)COc2c3c(C(=O)N(C3=O)C3C(=O)NC(=O)CC3)ccc2)C)cc1" . "QTDHGBJLMBQHOW-BPJPHOPQSA-N" . "InChI=1S/C41H41ClN8O8/c1-22(35-37-48-47-23(2)49(37)29-15-14-26(57-3)20-28(29)36(46-35)24-10-12-25(42)13-11-24)38(53)44-19-6-4-5-18-43-33(52)21-58-31-9-7-8-27-34(31)41(56)50(40(27)55)30-16-17-32(51)45-39(30)54/h7-15,20,22,30,35H,4-6,16-19,21H2,1-3H3,(H,43,52)(H,44,53)(H,45,51,54)/t22-,30?,35+/m1/s1" . "NCCOc1ccc(cc1C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])Cl" . "NCCOc1c(cc(Cl)cc1)C(=O)Nc1c(Cl)cc(cc1)[N+](=O)[O-]" . "DIMJVBOEXNWPOG-UHFFFAOYSA-N" . "InChI=1S/C15H13Cl2N3O4/c16-9-1-4-14(24-6-5-18)11(7-9)15(21)19-13-3-2-10(20(22)23)8-12(13)17/h1-4,7-8H,5-6,18H2,(H,19,21)" . "C=CCNc1sc2c(n1)[C@]13CO[C@@]([C@H]([C@@H]1C(C2)(C)C)O)([C@@]12[C@H]3CC[C@H]([C@H]2O)C(=C)C1=O)O" . "[C@@H]12CC[C@@H]3[C@@H](O)[C@]1(C(=O)C3=C)[C@@]1(O)OC[C@@]32c2c(CC(C)(C)[C@H]3[C@@H]1O)sc(NCC=C)n2" . "UAOUIVVJBYDFKD-XKCDOFEDSA-N" . "InChI=1S/C24H30N2O5S/c1-5-8-25-20-26-16-13(32-20)9-21(3,4)15-19(29)24(30)23-14(22(15,16)10-31-24)7-6-12(18(23)28)11(2)17(23)27/h5,12,14-15,18-19,28-30H,1-2,6-10H2,3-4H3,(H,25,26)/t12-,14-,15+,18+,19-,22-,23-,24-/m0/s1" . "CCN(c1cc(cc(c1C)C(=O)NCc1c(C)cc([nH]c1=O)C)c1ccc(cc1)CN1CCN(CC1)C(=O)CCCCCCCC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NCc1ccc(cc1)c1scnc1C)O)C1CCOCC1" . "Cc1c(c(=O)[nH]c(c1)C)CNC(=O)c1cc(cc(c1C)N(C1CCOCC1)CC)c1ccc(cc1)CN1CCN(CC1)C(=O)CCCCCCCC(=O)N[C@H](C(=O)N1[C@@H](C[C@H](C1)O)C(=O)NCc1ccc(cc1)c1c(ncs1)C)C(C)(C)C" . "AOIZISCRIVNZJJ-XWJFFXCMSA-N" . "InChI=1S/C65H87N9O8S/c1-9-73(51-25-31-82-32-26-51)55-35-50(34-53(44(55)4)61(78)67-38-54-42(2)33-43(3)69-62(54)79)48-21-19-47(20-22-48)39-71-27-29-72(30-28-71)58(77)16-14-12-10-11-13-15-57(76)70-60(65(6,7)8)64(81)74-40-52(75)36-56(74)63(80)66-37-46-17-23-49(24-18-46)59-45(5)68-41-83-59/h17-24,33-35,41,51-52,56,60,75H,9-16,25-32,36-40H2,1-8H3,(H,66,80)(H,67,78)(H,69,79)(H,70,76)/t52-,56+,60-/m1/s1" . "CCOc1ccc2c(c1)nc(c(c2)C1CC(=NN1C(=O)CCCC(=O)O)c1ccc(cc1)I)Cl" . "CCOc1cc2nc(c(cc2cc1)C1CC(=NN1C(=O)CCCC(=O)O)c1ccc(cc1)I)Cl" . "QHNTZIUSUGGSNE-UHFFFAOYSA-N" . "InChI=1S/C25H23ClIN3O4/c1-2-34-18-11-8-16-12-19(25(26)28-20(16)13-18)22-14-21(15-6-9-17(27)10-7-15)29-30(22)23(31)4-3-5-24(32)33/h6-13,22H,2-5,14H2,1H3,(H,32,33)" . "C[C@@H](N1C(=O)CCC1=O)C(=O)NCc1ccccc1" . "O=C(NCc1ccccc1)[C@@H](C)N1C(=O)CCC1=O" . "XVSYJYYNUSOPAQ-SNVBAGLBSA-N" . "InChI=1S/C14H16N2O3/c1-10(16-12(17)7-8-13(16)18)14(19)15-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,15,19)/t10-/m1/s1" . "FC(OCC[C@H](c1ccc(c[n+]1[O-])c1c(F)c(Cl)ccc1n1nnc(c1)Cl)n1ncc(c1)c1cnnn1C)F" . "Clc1c(c(c(cc1)n1nnc(c1)Cl)c1ccc([n+](c1)[O-])[C@@H](CCOC(F)F)n1ncc(c1)c1cnnn1C)F" . "BETDGMHNHGHORO-MRXNPFEDSA-N" . "InChI=1S/C23H18Cl2F3N9O2/c1-34-19(9-29-32-34)14-8-30-35(10-14)16(6-7-39-23(27)28)17-4-2-13(11-37(17)38)21-18(5-3-15(24)22(21)26)36-12-20(25)31-33-36/h2-5,8-12,16,23H,6-7H2,1H3/t16-/m1/s1" . "O=C(c1ccc(c(c1)C#Cc1cnc2n1nccc2)C)Nc1cc(cc(c1)C(F)(F)F)n1ccnc1" . "Cc1c(C#Cc2cnc3cccnn23)cc(C(=O)Nc2cc(C(F)(F)F)cc(n3cncc3)c2)cc1" . "VGOALPIDEXVYQI-UHFFFAOYSA-N" . "InChI=1S/C26H17F3N6O/c1-17-4-5-19(11-18(17)6-7-22-15-31-24-3-2-8-32-35(22)24)25(36)33-21-12-20(26(27,28)29)13-23(14-21)34-10-9-30-16-34/h2-5,8-16H,1H3,(H,33,36)" . "CO[C@@H]1[C@@H](OC(=O)c2ccc([nH]2)C)[C@@H](O)[C@@H](OC1(C)C)Oc1ccc2c(c1Cl)oc(=O)c(c2O)NC(=O)c1ccc(c(c1)OC)O" . "Cc1ccc([nH]1)C(=O)O[C@H]1[C@H]([C@@H](OC([C@@H]1OC)(C)C)Oc1c(c2c(cc1)c(c(c(=O)o2)NC(=O)c1cc(c(cc1)O)OC)O)Cl)O" . "LNDDBMXOCFEELJ-CPPKFOPJSA-N" . "InChI=1S/C31H31ClN2O12/c1-13-6-9-16(33-13)28(39)45-25-23(37)30(46-31(2,3)26(25)42-5)43-18-11-8-15-22(36)21(29(40)44-24(15)20(18)32)34-27(38)14-7-10-17(35)19(12-14)41-4/h6-12,23,25-26,30,33,35-37H,1-5H3,(H,34,38)/t23-,25+,26-,30-/m1/s1" . "CO[C@@H]1[C@@H](O)[C@@H](OC(=O)c2ccc([nH]2)C)[C@@H](OC1(C)C)Oc1ccc2c(c1Cl)oc(=O)c(c2O)NC(=O)c1ccc(c(c1)OC)O" . "Cc1ccc([nH]1)C(=O)O[C@@H]1[C@@H]([C@H](C(O[C@H]1Oc1c(c2c(cc1)c(c(c(=O)o2)NC(=O)c1cc(c(cc1)O)OC)O)Cl)(C)C)OC)O" . "AKYRQFMQZJFLAE-AUHTVUCRSA-N" . "InChI=1S/C31H31ClN2O12/c1-13-6-9-16(33-13)28(39)45-25-23(37)26(42-5)31(2,3)46-30(25)43-18-11-8-15-22(36)21(29(40)44-24(15)20(18)32)34-27(38)14-7-10-17(35)19(12-14)41-4/h6-12,23,25-26,30,33,35-37H,1-5H3,(H,34,38)/t23-,25+,26+,30+/m0/s1" . "NC[C@@H](C(=O)N[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O" . "C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]1[C@@H](C[C@@H]([C@H]([C@@H]1O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CN)O)O)O)N)NC(=O)[C@H](CN)O)O" . "UDIIBEDMEYAVNG-ZKFPOVNWSA-N" . "InChI=1S/C22H43N5O12/c1-22(35)6-36-20(15(33)18(22)26-2)39-17-8(27-19(34)9(28)4-23)3-7(25)16(14(17)32)38-21-13(31)12(30)11(29)10(5-24)37-21/h7-18,20-21,26,28-33,35H,3-6,23-25H2,1-2H3,(H,27,34)/t7-,8+,9-,10+,11+,12-,13+,14-,15+,16+,17-,18+,20+,21+,22-/m0/s1" . "NC[C@@H]1CC[C@H]([C@H](O1)O[C@@H]1[C@@H](N)C[C@H]([C@@H]([C@H]1O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)N)O)N)N" . "C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]1[C@H](C[C@H]([C@@H]([C@H]1O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)N)O)N)N)N" . "JJCQSGDBDPYCEO-XVZSLQNASA-N" . "InChI=1S/C18H37N5O8/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18/h6-18,24-27H,1-5,19-23H2/t6-,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1" . "CO[C@@H]1[C@@H](OC(=O)c2ccc([nH]2)C)[C@@H](O)[C@@H](OC1(C)C)Oc1ccc2c(c1Cl)oc(=O)c(c2O)NC(=O)c1ccc(c(c1)CC=C(C)C)O" . "Cc1ccc([nH]1)C(=O)O[C@H]1[C@H]([C@@H](OC([C@@H]1OC)(C)C)Oc1c(c2c(cc1)c(c(c(=O)o2)NC(=O)c1cc(c(cc1)O)CC=C(C)C)O)Cl)O" . "FJAQNRBDVKIIKK-LFLQOBSNSA-N" . "InChI=1S/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,37,39-41H,9H2,1-6H3,(H,38,42)/t27-,29+,30-,34-/m1/s1" . "CO[C@@H]1[C@@H](OC(=O)c2ccc([nH]2)C)[C@@H](O)[C@@H](OC1(C)C)Oc1ccc2c(c1)oc(=O)c(c2O)NC(=O)c1ccc(c(c1)CC=C(C)C)O" . "Cc1ccc([nH]1)C(=O)O[C@H]1[C@H]([C@@H](OC([C@@H]1OC)(C)C)Oc1cc2c(cc1)c(c(c(=O)o2)NC(=O)c1cc(c(cc1)O)CC=C(C)C)O)O" . "GMMYCBAAMDJSHV-YQQRZDPSSA-N" . "InChI=1S/C35H38N2O11/c1-17(2)7-9-19-15-20(10-14-24(19)38)31(41)37-26-27(39)22-12-11-21(16-25(22)46-33(26)43)45-34-28(40)29(30(44-6)35(4,5)48-34)47-32(42)23-13-8-18(3)36-23/h7-8,10-16,28-30,34,36,38-40H,9H2,1-6H3,(H,37,41)/t28-,29+,30-,34-/m1/s1" . "COc1cccc(c1Br)C(=O)N1CCN2[C@@H](C1)CC[C@@H](C2)c1ccc(cc1)Cl" . "[C@H]12CC[C@@H](CN1CCN(C2)C(=O)c1c(Br)c(OC)ccc1)c1ccc(Cl)cc1" . "BKTASVDLNMGMFP-FUHWJXTLSA-N" . "InChI=1S/C22H24BrClN2O2/c1-28-20-4-2-3-19(21(20)23)22(27)26-12-11-25-13-16(7-10-18(25)14-26)15-5-8-17(24)9-6-15/h2-6,8-9,16,18H,7,10-14H2,1H3/t16-,18+/m0/s1" . "CN(CCn1ncc(c1)n1nc(cc1NC(=O)N[C@H]1CC[C@H](c2c1cccc2)Oc1ccc2n(c1)c(nn2)N1CCCC[C@@H]1C)C(C)(C)C)C" . "O=C(Nc1cc(C(C)(C)C)nn1c1cn(CCN(C)C)nc1)N[C@H]1CC[C@@H](Oc2ccc3n(c2)c(nn3)N2[C@@H](C)CCCC2)c2c1cccc2" . "PPZSTJQLZOPKBO-LGXAAPQCSA-N" . "InChI=1S/C37H49N11O2/c1-25-11-9-10-18-46(25)36-42-41-33-17-14-27(24-47(33)36)50-31-16-15-30(28-12-7-8-13-29(28)31)39-35(49)40-34-21-32(37(2,3)4)43-48(34)26-22-38-45(23-26)20-19-44(5)6/h7-8,12-14,17,21-25,30-31H,9-11,15-16,18-20H2,1-6H3,(H2,39,40,49)/t25-,30-,31+/m0/s1" . "CNC(=O)c1ccc(cn1)c1ccc(cc1)C1(CC1)C(=O)N1CC[C@@]2(C1)OC(=O)c1c2cccc1" . "N(C)C(=O)c1ccc(cn1)c1ccc(cc1)C1(CC1)C(=O)N1CC[C@@]2(C1)OC(=O)c1c2cccc1" . "BDQCDIWFPIDPQU-NDEPHWFRSA-N" . "InChI=1S/C28H25N3O4/c1-29-24(32)23-11-8-19(16-30-23)18-6-9-20(10-7-18)27(12-13-27)26(34)31-15-14-28(17-31)22-5-3-2-4-21(22)25(33)35-28/h2-11,16H,12-15,17H2,1H3,(H,29,32)/t28-/m0/s1" . "O=C(C1CC(=O)N(C1)Cc1ccco1)Nc1ccc(cc1)c1onc(n1)c1ccc(cc1)Cl" . "O=C1CC(C(=O)Nc2ccc(c3nc(c4ccc(Cl)cc4)no3)cc2)CN1Cc1ccco1" . "LTOAWFRZXVPHAJ-UHFFFAOYSA-N" . "InChI=1S/C24H19ClN4O4/c25-18-7-3-15(4-8-18)22-27-24(33-28-22)16-5-9-19(10-6-16)26-23(31)17-12-21(30)29(13-17)14-20-2-1-11-32-20/h1-11,17H,12-14H2,(H,26,31)" . "OC[C@H]1[C@@H](C)OC(=O)N1c1nc(nc(c1)c1cnc(nc1C(F)(F)F)N)N1CCOCC1" . "Nc1ncc(c(n1)C(F)(F)F)c1nc(N2CCOCC2)nc(N2[C@@H](CO)[C@@H](C)OC2=O)c1" . "IEYOHYVYEJVEJJ-SKDRFNHKSA-N" . "InChI=1S/C18H20F3N7O4/c1-9-12(8-29)28(17(30)32-9)13-6-11(24-16(25-13)27-2-4-31-5-3-27)10-7-23-15(22)26-14(10)18(19,20)21/h6-7,9,12,29H,2-5,8H2,1H3,(H2,22,23,26)/t9-,12+/m1/s1" . "Fc1ccc(cc1)c1noc(c1COc1ccc2c(n1)CCN(C2)C(=O)CS(=O)(=O)C)C" . "Cc1c(COc2nc3c(CN(CC3)C(=O)CS(=O)(=O)C)cc2)c(no1)c1ccc(F)cc1" . "GTVLCHCOKLXHLY-UHFFFAOYSA-N" . "InChI=1S/C22H22FN3O5S/c1-14-18(22(25-31-14)15-3-6-17(23)7-4-15)12-30-20-8-5-16-11-26(10-9-19(16)24-20)21(27)13-32(2,28)29/h3-8H,9-13H2,1-2H3" . "O[C@H]1C[C@@H](C[C@H]1COS(=O)(=O)N)n1ccc2c1ncnc2N[C@H]1CCc2c1cccc2" . "C1Cc2ccccc2[C@H]1Nc1c2ccn(c2ncn1)[C@@H]1C[C@H]([C@H](C1)O)COS(=O)(=O)N" . "MPUQHZXIXSTTDU-QXGSTGNESA-N" . "InChI=1S/C21H25N5O4S/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18/h1-4,7-8,12,14-15,18-19,27H,5-6,9-11H2,(H2,22,28,29)(H,23,24,25)/t14-,15+,18-,19-/m0/s1" . "N#Cc1c(OC2CC2)cc(c(c1c1n(C)ncc1c1ccc2c(c1)c(CN)n[nH]c2=O)F)Cl" . "NCc1c2c(ccc(c3c(c4c(C#N)c(OC5CC5)cc(Cl)c4F)n(C)nc3)c2)c(=O)[nH]n1" . "BZKIOORWZAXIBA-UHFFFAOYSA-N" . "InChI=1S/C23H18ClFN6O2/c1-31-22(20-15(8-26)19(33-12-3-4-12)7-17(24)21(20)25)16(10-28-31)11-2-5-13-14(6-11)18(9-27)29-30-23(13)32/h2,5-7,10,12H,3-4,9,27H2,1H3,(H,30,32)" . "COCCN(CC(=O)O)CCOCCOCCOCCOCCOCCOCc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)N/N=C/c1ccc(c(c1)C(F)(F)F)Cl)CCC(C2)(C)C" . "O=C(c1cccc(COCCOCCOCCOCCOCCOCCN(CC(=O)O)CCOC)c1)Nc1c(C(=O)N/N=C/c2cc(C(F)(F)F)c(Cl)cc2)c2CCC(C)(C)Cc2s1" . "KDDSSBXRLQRJDR-GBIUOOPFSA-N" . "InChI=1S/C44H58ClF3N4O11S/c1-43(2)10-9-34-37(27-43)64-42(39(34)41(56)51-49-28-31-7-8-36(45)35(26-31)44(46,47)48)50-40(55)33-6-4-5-32(25-33)30-63-24-23-62-22-21-61-20-19-60-18-17-59-16-15-58-14-12-52(11-13-57-3)29-38(53)54/h4-8,25-26,28H,9-24,27,29-30H2,1-3H3,(H,50,55)(H,51,56)(H,53,54)/b49-28+" . "OCC1(CCC1)Nc1nc(nc2c1S(=O)CC2)N1CCC(CC1)c1ncc(cn1)Cl" . "OCC1(CCC1)Nc1nc(nc2c1S(=O)CC2)N1CCC(CC1)c1ncc(Cl)cn1" . "UHYCLWAANUGUMN-UHFFFAOYSA-N" . "InChI=1S/C20H25ClN6O2S/c21-14-10-22-17(23-11-14)13-2-7-27(8-3-13)19-24-15-4-9-30(29)16(15)18(25-19)26-20(12-28)5-1-6-20/h10-11,13,28H,1-9,12H2,(H,24,25,26)" . "Clc1ccc(c(c1)C(=O)N)S(=O)(=O)N[C@@H]([C@@H](c1c(F)ccc(c1C)C)C)c1n[nH]c(=O)o1" . "C[C@@H]([C@H](NS(=O)(=O)c1ccc(Cl)cc1C(=O)N)c1n[nH]c(=O)o1)c1c(C)c(C)ccc1F" . "DUYRWEBTZNUILI-DIFFPNOSSA-N" . "InChI=1S/C20H20ClFN4O5S/c1-9-4-6-14(22)16(10(9)2)11(3)17(19-24-25-20(28)31-19)26-32(29,30)15-7-5-12(21)8-13(15)18(23)27/h4-8,11,17,26H,1-3H3,(H2,23,27)(H,25,28)/t11-,17+/m1/s1" . "CC(NC[C@@H](C(=O)N1CCN([C@@H]2[C@H]1C2)c1ncnc2c1[C@H](C)CC(=O)N2)c1ccc(cc1)Cl)C" . "O=C(N1[C@H]2[C@H](C2)N(c2c3c(NC(=O)C[C@H]3C)ncn2)CC1)[C@H](CNC(C)C)c1ccc(Cl)cc1" . "RXNPEQZHMGFNAY-GEALJGNFSA-N" . "InChI=1S/C25H31ClN6O2/c1-14(2)27-12-18(16-4-6-17(26)7-5-16)25(34)32-9-8-31(19-11-20(19)32)24-22-15(3)10-21(33)30-23(22)28-13-29-24/h4-7,13-15,18-20,27H,8-12H2,1-3H3,(H,28,29,30,33)/t15-,18-,19+,20-/m1/s1" . "COCCO[C@@H]1CC[C@H](CC1)NC(=O)c1cc(nc2c1cc[nH]2)c1scnc1" . "O=C(c1c2c([nH]cc2)nc(c2cncs2)c1)N[C@H]1CC[C@H](OCCOC)CC1" . "JUVJFMVGYBBDKN-HDJSIYSDSA-N" . "InChI=1S/C20H24N4O3S/c1-26-8-9-27-14-4-2-13(3-5-14)23-20(25)16-10-17(18-11-21-12-28-18)24-19-15(16)6-7-22-19/h6-7,10-14H,2-5,8-9H2,1H3,(H,22,24)(H,23,25)/t13-,14-" . "O=C(c1cc(ccc1O[C@@H](C(F)(F)F)C)S(=O)(=O)C)N1C[C@H]2[C@@](C1)(C2)c1noc(c1)C(F)(F)F" . "C[C@H](C(F)(F)F)Oc1c(cc(cc1)S(=O)(=O)C)C(=O)N1C[C@@H]2C[C@@]2(C1)c1noc(c1)C(F)(F)F" . "MYHDQTVHHMSLEF-DDBGAENHSA-N" . "InChI=1S/C20H18F6N2O5S/c1-10(19(21,22)23)32-14-4-3-12(34(2,30)31)5-13(14)17(29)28-8-11-7-18(11,9-28)15-6-16(33-27-15)20(24,25)26/h3-6,10-11H,7-9H2,1-2H3/t10-,11+,18+/m1/s1" . "O=C(N(c1cccc(c1)c1ccc(cc1)C(O)(C)C)CC12CCC(CC1)(CC2)c1noc(n1)C(F)(C)C)[C@@H]1C[C@@](C1)(O)C(F)(F)F" . "CC(C)(F)c1nc(no1)C12CCC(CN(C(=O)[C@H]3C[C@@](O)(C3)C(F)(F)F)c3cccc(c3)c3ccc(cc3)C(C)(C)O)(CC1)CC2" . "AEMZJBZKICOPPC-RNMMDBENSA-N" . "InChI=1S/C35H41F4N3O4/c1-30(2,36)29-40-28(41-46-29)33-15-12-32(13-16-33,14-17-33)21-42(27(43)24-19-34(45,20-24)35(37,38)39)26-7-5-6-23(18-26)22-8-10-25(11-9-22)31(3,4)44/h5-11,18,24,44-45H,12-17,19-21H2,1-4H3/t24-,32?,33?,34+" . "COCCN(CC[C@@H](C(=O)O)Nc1ncnc2c1cccc2)CCCCc1ccc2c(n1)NCCC2" . "COCCN(CCCCc1nc2c(CCCN2)cc1)CC[C@@H](C(=O)O)Nc1ncnc2ccccc12" . "CWOFQJBATWQSHL-DEOSSOPVSA-N" . "InChI=1S/C27H36N6O3/c1-36-18-17-33(15-5-4-8-21-12-11-20-7-6-14-28-25(20)31-21)16-13-24(27(34)35)32-26-22-9-2-3-10-23(22)29-19-30-26/h2-3,9-12,19,24H,4-8,13-18H2,1H3,(H,28,31)(H,34,35)(H,29,30,32)/t24-/m0/s1" . "C[C@@H]1CC[C@H]([C@@H](C1)OCC(=O)NCCS(=O)(=O)N1CCC(CC1)C(=O)Nc1ncc(s1)SCc1ncc(o1)C(C)(C)C)C(C)C" . "O=C(NCCS(=O)(=O)N1CCC(CC1)C(=O)Nc1ncc(s1)SCc1ncc(C(C)(C)C)o1)CO[C@H]1[C@H](C(C)C)CC[C@@H](C)C1" . "NPRIWHDFWDSJRZ-YFNKSVMNSA-N" . "InChI=1S/C31H49N5O6S3/c1-20(2)23-8-7-21(3)15-24(23)41-18-26(37)32-11-14-45(39,40)36-12-9-22(10-13-36)29(38)35-30-34-17-28(44-30)43-19-27-33-16-25(42-27)31(4,5)6/h16-17,20-24H,7-15,18-19H2,1-6H3,(H,32,37)(H,34,35,38)/t21-,23+,24-/m1/s1" . "COc1cccc(c1)c1cc(F)c(c(c1)F)Nc1ncccc1C(=O)O" . "COc1cccc(c1)c1cc(c(c(c1)F)Nc1c(cccn1)C(=O)O)F" . "OMPATGZMNFWVOH-UHFFFAOYSA-N" . "InChI=1S/C19H14F2N2O3/c1-26-13-5-2-4-11(8-13)12-9-15(20)17(16(21)10-12)23-18-14(19(24)25)6-3-7-22-18/h2-10H,1H3,(H,22,23)(H,24,25)" . "OCc1nn(c(=O)n1CC)c1nc(O[C@H](C(F)(F)F)C)c(cc1F)C(=O)Nc1c(C)ccnc1Cl" . "CCn1c(=O)n(nc1CO)c1nc(O[C@@H](C)C(F)(F)F)c(cc1F)C(=O)Nc1c(C)ccnc1Cl" . "XEDJGCIOZDHXOR-JTQLQIEISA-N" . "InChI=1S/C20H19ClF4N6O4/c1-4-30-13(8-32)29-31(19(30)34)16-12(22)7-11(18(28-16)35-10(3)20(23,24)25)17(33)27-14-9(2)5-6-26-15(14)21/h5-7,10,32H,4,8H2,1-3H3,(H,27,33)/t10-/m0/s1" . "O=C(N1CC(C1)(C)F)Cn1cnc2c(c1=O)c(cn2C1CC1)c1ccc(c(c1)Cl)F" . "CC1(CN(C1)C(=O)Cn1cnc2c(c1=O)c(cn2C1CC1)c1cc(c(cc1)F)Cl)F" . "NULHGWQIRTXKAY-UHFFFAOYSA-N" . "InChI=1S/C21H19ClF2N4O2/c1-21(24)9-27(10-21)17(29)8-26-11-25-19-18(20(26)30)14(7-28(19)13-3-4-13)12-2-5-16(23)15(22)6-12/h2,5-7,11,13H,3-4,8-10H2,1H3" . "C=CC(=O)N1CCC[C@H](C1)n1nc(c2c1ncnc2N)c1nnn(c1)CC(c1ccccc1)(F)F" . "Nc1c2c(ncn1)n(nc2c1nnn(c1)CC(c1ccccc1)(F)F)[C@H]1CN(CCC1)C(=O)C=C" . "DGJMHKMYSDYOFP-MRXNPFEDSA-N" . "InChI=1S/C23H23F2N9O/c1-2-18(35)32-10-6-9-16(11-32)34-22-19(21(26)27-14-28-22)20(30-34)17-12-33(31-29-17)13-23(24,25)15-7-4-3-5-8-15/h2-5,7-8,12,14,16H,1,6,9-11,13H2,(H2,26,27,28)/t16-/m1/s1" . "OC[C@@H]([C@H](Oc1cc(nc(n1)SCc1ccc(cc1)F)NS(=O)(=O)N1CC(C1)C)C)O" . "CC1CN(C1)S(=O)(=O)Nc1cc(nc(n1)SCc1ccc(cc1)F)O[C@H](C)[C@H](CO)O" . "UCCNQCNIPRKLRP-CJNGLKHVSA-N" . "InChI=1S/C19H25FN4O5S2/c1-12-8-24(9-12)31(27,28)23-17-7-18(29-13(2)16(26)10-25)22-19(21-17)30-11-14-3-5-15(20)6-4-14/h3-7,12-13,16,25-26H,8-11H2,1-2H3,(H,21,22,23)/t13-,16+/m1/s1" . "CCOc1ccc(cc1c1[nH]c(=O)c2c(n1)n(CCC)cc2C)S(=O)(=O)N1CCN(CC1)CC" . "C(C)Oc1c(cc(cc1)S(=O)(=O)N1CCN(CC1)CC)c1[nH]c(=O)c2c(n1)n(cc2C)CCC" . "RXMDFMQMRASWOG-UHFFFAOYSA-N" . "InChI=1S/C24H33N5O4S/c1-5-10-28-16-17(4)21-23(28)25-22(26-24(21)30)19-15-18(8-9-20(19)33-7-3)34(31,32)29-13-11-27(6-2)12-14-29/h8-9,15-16H,5-7,10-14H2,1-4H3,(H,25,26,30)" . "CC(Cc1ccc(cc1)c1onc(n1)c1ccc(c(c1)F)CN1CC(C1)C(=O)O)C" . "Fc1c(ccc(c1)c1noc(n1)c1ccc(cc1)CC(C)C)CN1CC(C1)C(=O)O" . "YBIFMTGYWXNIRZ-UHFFFAOYSA-N" . "InChI=1S/C23H24FN3O3/c1-14(2)9-15-3-5-16(6-4-15)22-25-21(26-30-22)17-7-8-18(20(24)10-17)11-27-12-19(13-27)23(28)29/h3-8,10,14,19H,9,11-13H2,1-2H3,(H,28,29)" . "Nc1cc2ccccc2nc1C(O)(C)C" . "Nc1c(nc2ccccc2c1)C(C)(C)O" . "NOFRQDXKZDAYGB-UHFFFAOYSA-N" . "InChI=1S/C12H14N2O/c1-12(2,15)11-9(13)7-8-5-3-4-6-10(8)14-11/h3-7,15H,13H2,1-2H3" . "FCCCS(=O)(=O)Nc1ccc(c(c1Cl)Nc1ccc2c(c1C)c(=O)n(cn2)C)F" . "Clc1c(ccc(c1Nc1c(c2c(=O)n(cnc2cc1)C)C)F)NS(=O)(=O)CCCF" . "VVLVISDSGRHLMB-UHFFFAOYSA-N" . "InChI=1S/C19H19ClF2N4O3S/c1-11-13(6-7-14-16(11)19(27)26(2)10-23-14)24-18-12(22)4-5-15(17(18)20)25-30(28,29)9-3-8-21/h4-7,10,24-25H,3,8-9H2,1-2H3" . "OC[C@H](Nc1cc(cc(n1)N1CCOCC1)c1cc(ccc1C)NC(=O)N1CC[C@H](C1)CC(F)(F)F)C" . "Cc1c(cc(cc1)NC(=O)N1CC[C@H](C1)CC(F)(F)F)c1cc(nc(c1)N1CCOCC1)N[C@H](C)CO" . "GZMYLSJUNSCMTD-MOPGFXCFSA-N" . "InChI=1S/C26H34F3N5O3/c1-17-3-4-21(31-25(36)34-6-5-19(15-34)14-26(27,28)29)13-22(17)20-11-23(30-18(2)16-35)32-24(12-20)33-7-9-37-10-8-33/h3-4,11-13,18-19,35H,5-10,14-16H2,1-2H3,(H,30,32)(H,31,36)/t18-,19+/m1/s1" . "N#Cc1cnc2c(c1NCC(C)(C)C)cc(cc2Cl)N[C@@H](c1cccc2c1ccn(c2=O)C)c1nnn(c1)C12CC(C1)C2" . "CC(C)(C)CNc1c2cc(cc(c2ncc1C#N)Cl)N[C@@H](c1cccc2c1ccn(c2=O)C)c1cn(nn1)C12CC(C1)C2" . "VFGSKBLZRDRHOI-ZAGPDIDGSA-N" . "InChI=1S/C33H33ClN8O/c1-32(2,3)18-37-28-20(15-35)16-36-29-25(28)10-21(11-26(29)34)38-30(27-17-42(40-39-27)33-12-19(13-33)14-33)23-6-5-7-24-22(23)8-9-41(4)31(24)43/h5-11,16-17,19,30,38H,12-14,18H2,1-4H3,(H,36,37)/t19?,30-,33?/m0/s1" . "CNC(=O)c1cc2c(ccnc2cc1OC)Oc1ccc(cc1)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F" . "Fc1ccc(cc1)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)Oc1ccnc2cc(c(cc12)C(=O)NC)OC" . "JSPCKALGNNVYOO-UHFFFAOYSA-N" . "InChI=1S/C29H25FN4O5/c1-31-26(35)22-15-21-23(16-25(22)38-2)32-14-11-24(21)39-20-9-7-19(8-10-20)34-28(37)29(12-13-29)27(36)33-18-5-3-17(30)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,35)(H,33,36)(H,34,37)" . "CC(=O)Nc1ncc(cc1O[C@@H](c1c(Cl)ccc(c1Cl)F)C)c1cnn(c1)C1CCNCC1" . "Clc1c(c(ccc1F)Cl)[C@@H](C)Oc1c(ncc(c1)c1cnn(c1)C1CCNCC1)NC(=O)C" . "HBWSXXBJOQKNBL-CYBMUJFWSA-N" . "InChI=1S/C23H24Cl2FN5O2/c1-13(21-18(24)3-4-19(26)22(21)25)33-20-9-15(10-28-23(20)30-14(2)32)16-11-29-31(12-16)17-5-7-27-8-6-17/h3-4,9-13,17,27H,5-8H2,1-2H3,(H,28,30,32)/t13-/m1/s1" . "COc1cc2c(ccnc2cc1OC)Oc1ccc(nc1)NC(=O)c1cc2C(=O)CCCc2n(c1=O)c1ccccc1" . "COc1cc2c(ccnc2cc1OC)Oc1ccc(nc1)NC(=O)c1c(=O)n(c2CCCC(=O)c2c1)c1ccccc1" . "WHMMKPWGWNYYFE-UHFFFAOYSA-N" . "InChI=1S/C32H26N4O6/c1-40-28-16-21-24(17-29(28)41-2)33-14-13-27(21)42-20-11-12-30(34-18-20)35-31(38)23-15-22-25(9-6-10-26(22)37)36(32(23)39)19-7-4-3-5-8-19/h3-5,7-8,11-18H,6,9-10H2,1-2H3,(H,34,35,38)" . "N#Cc1cnc2c(c1Nc1ccc(c(c1)Cl)OCc1ccccn1)cc(c(c2)O[C@H]1CCOC1)NC(=O)/C=C/CN(C)C" . "[C@@H]1(CCOC1)Oc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C" . "ZGYIXVSQHOKQRZ-COIATFDQSA-N" . "InChI=1S/C32H31ClN6O4/c1-39(2)12-5-7-31(40)38-28-15-25-27(16-30(28)43-24-10-13-41-20-24)36-18-21(17-34)32(25)37-22-8-9-29(26(33)14-22)42-19-23-6-3-4-11-35-23/h3-9,11,14-16,18,24H,10,12-13,19-20H2,1-2H3,(H,36,37)(H,38,40)/b7-5+/t24-/m0/s1" . "CN1CCN(CC1)c1ccc(cc1)Nc1ncc2c(n1)n(C(C)C)c(n2)Nc1cccnc1" . "CN1CCN(CC1)c1ccc(cc1)Nc1ncc2nc(n(c2n1)C(C)C)Nc1cnccc1" . "WSOHOUHPUOAXIN-UHFFFAOYSA-N" . "InChI=1S/C24H29N9/c1-17(2)33-22-21(29-24(33)28-19-5-4-10-25-15-19)16-26-23(30-22)27-18-6-8-20(9-7-18)32-13-11-31(3)12-14-32/h4-10,15-17H,11-14H2,1-3H3,(H,28,29)(H,26,27,30)" . "O=C1COc2c(N1C)cnc1c2cc(cc1)Sc1nnc2n1cc(cc2F)c1cnn(c1)C" . "Fc1c2n(cc(c1)c1cnn(c1)C)c(nn2)Sc1cc2c3c(cnc2cc1)N(C(=O)CO3)C" . "MFEXYTURXUZOID-UHFFFAOYSA-N" . "InChI=1S/C22H16FN7O2S/c1-28-9-13(7-25-28)12-5-16(23)21-26-27-22(30(21)10-12)33-14-3-4-17-15(6-14)20-18(8-24-17)29(2)19(31)11-32-20/h3-10H,11H2,1-2H3" . "NC(=O)[C@@H](Nc1ccc2c(c1)OCCn1c2nc(c1)N1C(=O)SC[C@H]1C(F)F)C" . "C[C@H](Nc1cc2c(cc1)c1nc(cn1CCO2)N1[C@@H](CSC1=O)C(F)F)C(=O)N" . "KEEKMOIRJUWKNK-CABZTGNLSA-N" . "InChI=1S/C18H19F2N5O3S/c1-9(16(21)26)22-10-2-3-11-13(6-10)28-5-4-24-7-14(23-17(11)24)25-12(15(19)20)8-29-18(25)27/h2-3,6-7,9,12,15,22H,4-5,8H2,1H3,(H2,21,26)/t9-,12-/m0/s1" . "COCCN1C[C@H]([C@@H](C1)c1cccc(c1)F)NC(=O)Nc1c(C)c(nn1c1ccccc1)c1cnc(nc1)C" . "Fc1cc(ccc1)[C@H]1[C@@H](CN(C1)CCOC)NC(=O)Nc1c(c(nn1c1ccccc1)c1cnc(nc1)C)C" . "BGKSBHPSVMJTFL-IZZNHLLZSA-N" . "InChI=1S/C29H32FN7O2/c1-19-27(22-15-31-20(2)32-16-22)35-37(24-10-5-4-6-11-24)28(19)34-29(38)33-26-18-36(12-13-39-3)17-25(26)21-8-7-9-23(30)14-21/h4-11,14-16,25-26H,12-13,17-18H2,1-3H3,(H2,33,34,38)/t25-,26+/m0/s1" . "COC(=O)c1ccc2c(n1)NC(=O)/C/2=C(/c1ccccc1)/Nc1ccc(cc1)N(C(=O)CN1CCN(CC1)C)C" . "CN(C(=O)CN1CCN(CC1)C)c1ccc(N/C(=C/2/C(=O)Nc3nc(ccc23)C(=O)OC)/c2ccccc2)cc1" . "OABALTWKAJWHEA-RQZHXJHFSA-N" . "InChI=1S/C30H32N6O4/c1-34-15-17-36(18-16-34)19-25(37)35(2)22-11-9-21(10-12-22)31-27(20-7-5-4-6-8-20)26-23-13-14-24(30(39)40-3)32-28(23)33-29(26)38/h4-14,31H,15-19H2,1-3H3,(H,32,33,38)/b27-26-" . "COc1cc(ccc1Nc1ncc2c(n1)N(CC1(C(=O)N2C)CC1)C1CCCC1)C(=O)N[C@@H]1CC[C@H](CC1)N1CCN(CC1)C" . "C1(CCCC1)N1c2c(N(C(=O)C3(C1)CC3)C)cnc(n2)Nc1c(cc(C(=O)N[C@@H]2CC[C@H](CC2)N2CCN(CC2)C)cc1)OC" . "UFNLNMWVOMFWGS-SOAUALDESA-N" . "InChI=1S/C34H48N8O3/c1-39-16-18-41(19-17-39)25-11-9-24(10-12-25)36-31(43)23-8-13-27(29(20-23)45-3)37-33-35-21-28-30(38-33)42(26-6-4-5-7-26)22-34(14-15-34)32(44)40(28)2/h8,13,20-21,24-26H,4-7,9-12,14-19,22H2,1-3H3,(H,36,43)(H,35,37,38)/t24-,25-" . "C[C@]1(O)C[C@@](C1)(N)c1ccc(cc1)c1nc2n(c1c1ccccc1)COc1c2cncc1" . "C[C@@]1(O)C[C@@](N)(C1)c1ccc(cc1)c1c(n2COc3c(cncc3)c2n1)c1ccccc1" . "AIFGVDXMHWGOGJ-DIVCQZSQSA-N" . "InChI=1S/C26H24N4O2/c1-25(31)14-26(27,15-25)19-9-7-17(8-10-19)22-23(18-5-3-2-4-6-18)30-16-32-21-11-12-28-13-20(21)24(30)29-22/h2-13,31H,14-16,27H2,1H3/t25-,26-" . "COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(c1)[nH]nc3/C=C/c1ccc(cc1)CN1C[C@H](C)O[C@@H](C1)C)C(=O)N2" . "C[C@@H]1CN(C[C@@H](O1)C)Cc1ccc(cc1)/C=C/c1n[nH]c2cc(ccc12)[C@@H]1C[C@]21C(=O)Nc1ccc(cc21)OC" . "DADASRPKWOGKCU-FVTQAUBDSA-N" . "InChI=1S/C33H34N4O3/c1-20-17-37(18-21(2)40-20)19-23-6-4-22(5-7-23)8-12-29-26-11-9-24(14-31(26)36-35-29)28-16-33(28)27-15-25(39-3)10-13-30(27)34-32(33)38/h4-15,20-21,28H,16-19H2,1-3H3,(H,34,38)(H,35,36)/b12-8+/t20-,21+,28-,33-/m0/s1" . "COc1ccc(cc1O)c1coc2c(c1=O)c(O)cc(c2)O" . "COc1c(O)cc(cc1)c1coc2c(c(O)cc(O)c2)c1=O" . "FPIOBTBNRZPWJW-UHFFFAOYSA-N" . "InChI=1S/C16H12O6/c1-21-13-3-2-8(4-11(13)18)10-7-22-14-6-9(17)5-12(19)15(14)16(10)20/h2-7,17-19H,1H3" . "Fc1cnc2n(c1)nc(c2C(=O)Nc1cncc(c1c1cncn1C)F)N" . "Nc1nn2c(ncc(c2)F)c1C(=O)Nc1cncc(c1c1cncn1C)F" . "RBQPCTBFIPVIJN-UHFFFAOYSA-N" . "InChI=1S/C16H12F2N8O/c1-25-7-21-5-11(25)12-9(18)3-20-4-10(12)23-16(27)13-14(19)24-26-6-8(17)2-22-15(13)26/h2-7H,1H3,(H2,19,24)(H,23,27)" . "N#Cc1cnc2c(c1NCC(C)(C)C)cc(cc2Cl)N([C@@H](c1cccc2c1ccn(c2=O)C)c1nnn(c1)C12CC(C1)C2)C(=O)OCOP(=O)(O)O" . "C12(CC(C1)C2)n1nnc(c1)[C@@H](N(C(=O)OCOP(=O)(O)O)c1cc2c(c(cnc2c(c1)Cl)C#N)NCC(C)(C)C)c1c2ccn(c(=O)c2ccc1)C" . "FPQIBCPWXJSFOQ-ILNPBIMBSA-N" . "InChI=1S/C35H36ClN8O7P/c1-34(2,3)18-39-29-21(15-37)16-38-30-26(29)10-22(11-27(30)36)44(33(46)50-19-51-52(47,48)49)31(28-17-43(41-40-28)35-12-20(13-35)14-35)24-6-5-7-25-23(24)8-9-42(4)32(25)45/h5-11,16-17,20,31H,12-14,18-19H2,1-4H3,(H,38,39)(H2,47,48,49)/t20?,31-,35?/m0/s1" . "N#C[C@H](Nc1cc(ncc1C(=O)NC[C@H](C(O)(C)C)F)c1ccc2n1ncc(c2)C#N)C" . "C(#N)[C@@H](C)Nc1c(cnc(c1)c1ccc2n1ncc(c2)C#N)C(=O)NC[C@H](C(C)(C)O)F" . "HORBHQPSWJRDSV-ZUOKHONESA-N" . "InChI=1S/C22H22FN7O2/c1-13(8-24)29-17-7-18(19-5-4-15-6-14(9-25)10-28-30(15)19)26-11-16(17)21(31)27-12-20(23)22(2,3)32/h4-7,10-11,13,20,32H,12H2,1-3H3,(H,26,29)(H,27,31)/t13-,20-/m1/s1" . "CCN1CCN(CC1)Cc1ccc(nc1)Nc1ncc(c(n1)c1sc(nc1C)NC1CCCC1)F" . "C1(CCCC1)Nc1sc(c(n1)C)c1nc(ncc1F)Nc1ncc(cc1)CN1CCN(CC1)CC" . "POFVJRKJJBFPII-UHFFFAOYSA-N" . "InChI=1S/C25H33FN8S/c1-3-33-10-12-34(13-11-33)16-18-8-9-21(27-14-18)31-24-28-15-20(26)22(32-24)23-17(2)29-25(35-23)30-19-6-4-5-7-19/h8-9,14-15,19H,3-7,10-13,16H2,1-2H3,(H,29,30)(H,27,28,31,32)" . "CN1CCC(CC1)c1ccc(nc1)Nc1ncc(c(n1)c1cc(F)c2c(c1)N(CCO2)C(C)C)F" . "Fc1c(nc(nc1)Nc1ncc(cc1)C1CCN(CC1)C)c1cc(c2c(N(CCO2)C(C)C)c1)F" . "YZSCPLGKKMSBMV-UHFFFAOYSA-N" . "InChI=1S/C26H30F2N6O/c1-16(2)34-10-11-35-25-20(27)12-19(13-22(25)34)24-21(28)15-30-26(32-24)31-23-5-4-18(14-29-23)17-6-8-33(3)9-7-17/h4-5,12-17H,6-11H2,1-3H3,(H,29,30,31,32)" . "Fc1cnc(nc1c1ccc2c(c1)c(C(C)C)n(n2)C)Nc1ccc(cn1)N1CCNCC1" . "Fc1c(nc(nc1)Nc1ncc(cc1)N1CCNCC1)c1cc2c(n(nc2cc1)C)C(C)C" . "LLFOBMRPWNABCB-UHFFFAOYSA-N" . "InChI=1S/C24H27FN8/c1-15(2)23-18-12-16(4-6-20(18)31-32(23)3)22-19(25)14-28-24(30-22)29-21-7-5-17(13-27-21)33-10-8-26-9-11-33/h4-7,12-15,26H,8-11H2,1-3H3,(H,27,28,29,30)" . "CN1CCC(CC1)c1ccc(nc1)Nc1ncc(c(n1)c1cc(F)c2c(c1)C1(CCCC1)C(=N2)C)F" . "Fc1c(nc(nc1)Nc1ncc(cc1)C1CCN(CC1)C)c1cc2C3(C(=Nc2c(c1)F)C)CCCC3" . "AEFFENQISAXIKE-UHFFFAOYSA-N" . "InChI=1S/C28H30F2N6/c1-17-28(9-3-4-10-28)21-13-20(14-22(29)26(21)33-17)25-23(30)16-32-27(35-25)34-24-6-5-19(15-31-24)18-7-11-36(2)12-8-18/h5-6,13-16,18H,3-4,7-12H2,1-2H3,(H,31,32,34,35)" . "CNc1nc(c(s1)c1nc(ncc1F)Nc1cccc(c1)S(=O)(=O)N)C" . "Cc1c(sc(n1)NC)c1nc(ncc1F)Nc1cc(ccc1)S(=O)(=O)N" . "GAIOPWBQKZMUNO-UHFFFAOYSA-N" . "InChI=1S/C15H15FN6O2S2/c1-8-13(25-15(18-2)20-8)12-11(16)7-19-14(22-12)21-9-4-3-5-10(6-9)26(17,23)24/h3-7H,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22)" . "C[C@@H]1COCCN1c1cc(c2c(n1)n(nc2)c1ccn[nH]1)C1(O)C[C@@H]2CC[C@H](C1)O2" . "C[C@@H]1COCCN1c1nc2c(cnn2c2ccn[nH]2)c(c1)C1(C[C@H]2CC[C@@H](C1)O2)O" . "YIHHYCIYAIVQKX-YNOVCBQDSA-N" . "InChI=1S/C21H26N6O3/c1-13-12-29-7-6-26(13)19-8-17(21(28)9-14-2-3-15(10-21)30-14)16-11-23-27(20(16)24-19)18-4-5-22-25-18/h4-5,8,11,13-15,28H,2-3,6-7,9-10,12H2,1H3,(H,22,25)/t13-,14-,15+,21?/m1/s1" . "C[C@@H]1CC=C(C(=C1n1c2nc(C)c(cc2c(c1N)C(=O)N)C)C)O" . "NC(=O)c1c(N)n(C2=C(C)C(=CC[C@H]2C)O)c2nc(C)c(C)cc12" . "FGSLKGDMSYOTPS-MRVPVSSYSA-N" . "InChI=1S/C18H22N4O2/c1-8-5-6-13(23)10(3)15(8)22-16(19)14(17(20)24)12-7-9(2)11(4)21-18(12)22/h6-8,23H,5,19H2,1-4H3,(H2,20,24)/t8-/m1/s1" . "OC[C@H](c1cc(Cl)cc(c1)Cl)O[C@H]1CCCN([C@H]1c1ccccc1)Cc1ccc(cc1[N+](=O)[O-])C(=O)O" . "OC[C@H](c1cc(Cl)cc(Cl)c1)O[C@@H]1[C@H](c2ccccc2)N(Cc2c([N+](=O)[O-])cc(C(=O)O)cc2)CCC1" . "REDPQDQMPNUDEP-NXCFDTQHSA-N" . "InChI=1S/C27H26Cl2N2O6/c28-21-11-20(12-22(29)14-21)25(16-32)37-24-7-4-10-30(26(24)17-5-2-1-3-6-17)15-19-9-8-18(27(33)34)13-23(19)31(35)36/h1-3,5-6,8-9,11-14,24-26,32H,4,7,10,15-16H2,(H,33,34)/t24-,25+,26-/m0/s1" . "OC(=O)C1(CCN(CC1)C(=O)c1cccc(c1Cl)Cl)Cc1ccc(c(n1)Nc1n[nH]c(c1)C)F" . "Cc1cc(n[nH]1)Nc1c(ccc(n1)CC1(CCN(CC1)C(=O)c1c(c(ccc1)Cl)Cl)C(=O)O)F" . "PLAVWQHGBMTMFR-UHFFFAOYSA-N" . "InChI=1S/C23H22Cl2FN5O3/c1-13-11-18(30-29-13)28-20-17(26)6-5-14(27-20)12-23(22(33)34)7-9-31(10-8-23)21(32)15-3-2-4-16(24)19(15)25/h2-6,11H,7-10,12H2,1H3,(H,33,34)(H2,27,28,29,30)" . "Fc1ccc(cc1)Nc1nc(c(c(n1)C)C)N1CCc2c(C1C)cccc2" . "CC1c2ccccc2CCN1c1nc(nc(c1C)C)Nc1ccc(cc1)F" . "LECZXZOBEZITCL-UHFFFAOYSA-N" . "InChI=1S/C22H23FN4/c1-14-15(2)24-22(25-19-10-8-18(23)9-11-19)26-21(14)27-13-12-17-6-4-5-7-20(17)16(27)3/h4-11,16H,12-13H2,1-3H3,(H,24,25,26)" . "O[C@@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCN1CCN(CC1)c1cc(Cl)cc2c1nc(n2Cc1cc(C)c(c(c1)C)F)N1CC2(C1)CNC2)C(=O)N[C@H](c1ccc(cc1)c1scnc1C)C" . "O=C(CCCCCCCCN1CCN(c2c3nc(n(c3cc(Cl)c2)Cc2cc(C)c(c(c2)C)F)N2CC3(C2)CNC3)CC1)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@H](c1ccc(cc1)c1c(ncs1)C)C)O)C(C)(C)C" . "AZBRWXRYNYEDKG-VWELVXIZSA-N" . "InChI=1S/C57H76ClFN10O4S/c1-36-24-40(25-37(2)49(36)59)29-69-46-27-43(58)26-45(50(46)64-55(69)67-33-57(34-67)31-60-32-57)66-22-20-65(21-23-66)19-13-11-9-8-10-12-14-48(71)63-52(56(5,6)7)54(73)68-30-44(70)28-47(68)53(72)62-38(3)41-15-17-42(18-16-41)51-39(4)61-35-74-51/h15-18,24-27,35,38,44,47,52,60,70H,8-14,19-23,28-34H2,1-7H3,(H,62,72)(H,63,71)/t38-,44+,47-,52+/m0/s1" . "N[C@@H]1[C@H](C)OCC21CCN(CC2)c1cnc(c(n1)N)Sc1ccnc(c1Cl)N" . "Nc1nc(N2CCC3(CO[C@@H](C)[C@H]3N)CC2)cnc1Sc1c(Cl)c(N)ncc1" . "UCJZOKGUEJUNIO-IINYFYTJSA-N" . "InChI=1S/C18H24ClN7OS/c1-10-14(20)18(9-27-10)3-6-26(7-4-18)12-8-24-17(16(22)25-12)28-11-2-5-23-15(21)13(11)19/h2,5,8,10,14H,3-4,6-7,9,20H2,1H3,(H2,21,23)(H2,22,25)/t10-,14+/m0/s1" . "OCc1nc(Sc2ccnc(c2Cl)N)c(nc1N1CCC2(CC1)CO[C@H]([C@H]2N)C)C" . "C[C@H]1[C@H](C2(CCN(CC2)c2nc(c(nc2CO)Sc2c(c(ncc2)N)Cl)C)CO1)N" . "HISJAYUQVHMWTA-BLLLJJGKSA-N" . "InChI=1S/C20H27ClN6O2S/c1-11-19(30-14-3-6-24-17(23)15(14)21)26-13(9-28)18(25-11)27-7-4-20(5-8-27)10-29-12(2)16(20)22/h3,6,12,16,28H,4-5,7-10,22H2,1-2H3,(H2,23,24)/t12-,16+/m0/s1" . "C=CC(=O)N1CCN(CC1)c1ncnc2c1cc(Cl)c(c2F)c1ccc(c2c1nc(s2)N)F" . "C=CC(=O)N1CCN(CC1)c1ncnc2c(c(c(cc12)Cl)c1c2c(c(cc1)F)sc(n2)N)F" . "YNBBKDMAVRSYRE-UHFFFAOYSA-N" . "InChI=1S/C22H17ClF2N6OS/c1-2-15(32)30-5-7-31(8-6-30)21-12-9-13(23)16(17(25)18(12)27-10-28-21)11-3-4-14(24)20-19(11)29-22(26)33-20/h2-4,9-10H,1,5-8H2,(H2,26,29)" . "O=C1COc2c(N1)c(O)ccc2C(CNC(Cc1ccccc1C)(C)C)O" . "Cc1ccccc1CC(C)(C)NCC(c1c2c(c(cc1)O)NC(=O)CO2)O" . "NWQXBEWHTDRJIP-UHFFFAOYSA-N" . "InChI=1S/C21H26N2O4/c1-13-6-4-5-7-14(13)10-21(2,3)22-11-17(25)15-8-9-16(24)19-20(15)27-12-18(26)23-19/h4-9,17,22,24-25H,10-12H2,1-3H3,(H,23,26)" . "N#Cc1ccc(c(c1)F)COc1cccc(n1)C1CCN(CC1)Cc1nc2c(n1C[C@@H]1CCO1)cc(cc2)C(=O)O" . "Fc1cc(C#N)ccc1COc1cccc(C2CCN(Cc3nc4ccc(C(=O)O)cc4n3C[C@@H]3CCO3)CC2)n1" . "HYBAKUMPISVZQP-DEOSSOPVSA-N" . "InChI=1S/C31H30FN5O4/c32-25-14-20(16-33)4-5-23(25)19-41-30-3-1-2-26(35-30)21-8-11-36(12-9-21)18-29-34-27-7-6-22(31(38)39)15-28(27)37(29)17-24-10-13-40-24/h1-7,14-15,21,24H,8-13,17-19H2,(H,38,39)/t24-/m0/s1" . "OCCn1c(C)ncc1[N+](=O)[O-]" . "OCCn1c(C)ncc1[N+](=O)[O-]" . "VAOCPAMSLUNLGC-UHFFFAOYSA-N" . "InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3" . "COc1cc(OCc2csc(n2)c2ccc(cc2)C(=O)N(C)C)c2c(c1)oc(c2)c1cn2c(n1)sc(n2)OC" . "COc1nn2cc(nc2s1)c1cc2c(o1)cc(OC)cc2OCc1csc(n1)c1ccc(cc1)C(=O)N(C)C" . "KEEBLYWBELVGPQ-UHFFFAOYSA-N" . "InChI=1S/C27H23N5O5S2/c1-31(2)25(33)16-7-5-15(6-8-16)24-28-17(14-38-24)13-36-21-9-18(34-3)10-22-19(21)11-23(37-22)20-12-32-26(29-20)39-27(30-32)35-4/h5-12,14H,13H2,1-4H3" . "CC[C@@H]([C@@H]1NC(=O)[C@H](CO)NC(=O)CCCOc2ccccc2CCSC[C@H](NC(=O)[C@@H](NC1=O)Cc1c[nH]c2c1cccc2)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N)Cc1nnn[nH]1)C" . "OC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@@H](Cc3nnn[nH]3)C(=O)N)CCC2)CSCCc2ccccc2OCCCC(=O)N1)Cc1c[nH]c2c1cccc2)[C@@H](C)CC" . "CPNJMMBLVDNJTP-GQUKTMJCSA-N" . "InChI=1S/C44H58N12O9S/c1-3-25(2)38-43(63)49-31(20-27-22-46-29-12-6-5-11-28(27)29)40(60)50-33(44(64)56-17-8-13-34(56)42(62)48-30(39(45)59)21-36-52-54-55-53-36)24-66-19-16-26-10-4-7-14-35(26)65-18-9-15-37(58)47-32(23-57)41(61)51-38/h4-7,10-12,14,22,25,30-34,38,46,57H,3,8-9,13,15-21,23-24H2,1-2H3,(H2,45,59)(H,47,58)(H,48,62)(H,49,63)(H,50,60)(H,51,61)(H,52,53,54,55)/t25-,30-,31-,32-,33-,34-,38-/m0/s1" . "Nc1oc2c(n1)cc(cc2)c1nc(nc(n1)N1CCOCC1)N1CCOCC1" . "Nc1nc2cc(c3nc(N4CCOCC4)nc(N4CCOCC4)n3)ccc2o1" . "LOQNSAZUXOBMAX-UHFFFAOYSA-N" . "InChI=1S/C18H21N7O3/c19-16-20-13-11-12(1-2-14(13)28-16)15-21-17(24-3-7-26-8-4-24)23-18(22-15)25-5-9-27-10-6-25/h1-2,11H,3-10H2,(H2,19,20)" . "COc1cc2nc(C)nc(c2cc1O[C@H]1CCOC1)N[C@@H](c1cc(N)cc(c1)C(F)(F)F)C" . "Cc1nc2cc(c(cc2c(n1)N[C@H](C)c1cc(cc(c1)N)C(F)(F)F)O[C@H]1CCOC1)OC" . "XVFDNRYZXDHTHT-PXAZEXFGSA-N" . "InChI=1S/C23H25F3N4O3/c1-12(14-6-15(23(24,25)26)8-16(27)7-14)28-22-18-9-21(33-17-4-5-32-11-17)20(31-3)10-19(18)29-13(2)30-22/h6-10,12,17H,4-5,11,27H2,1-3H3,(H,28,29,30)/t12-,17+/m1/s1" . "CSCC[C@@H]1NC(=O)[C@@H]2CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@@H](C(=O)N3[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2)CC(=O)O)Cc2cccc4c2cccc4)CCC3)NC(=O)CCOCCOCCOCCN(CCOCCOCCOCCn2nnc(c2)CCC(=O)NCCCC[C@H]2NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](CSCCC(=O)N3CN4C(=O)CCSC[C@H](NC(=O)[C@@H](NC(=O)[C@H]5N(C2=O)CCC5)Cc2ccc(cc2)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@H](C(=O)N[C@@H](CSCCC(=O)N(C4)C3)C(=O)N[C@H](C(=O)N)C)CCCC)NC(=O)C)CC(C)(C)C)CCOCCOCCOCCn2nnc(c2)CCC(=O)NCCCC[C@H]2NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](CSCCC(=O)N3CN4C(=O)CCSC[C@H](NC(=O)[C@@H](NC(=O)[C@H]5N(C2=O)CCC5)Cc2ccc(cc2)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@H](C(=O)N[C@@H](CSCCC(=O)N(C4)C3)C(=O)N[C@H](C(=O)N)C)CCCC)NC(=O)C)CC(C)(C)C)C(=O)CCSC[C@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCNC(=N)N)CC(=O)O)Cc1c[nH]c4c1cccc4)CO)[C@H](O)C)CCC3)CC(C2)O)Cc1c[nH]c2c1cccc2)C(=O)N" . "O=C(N[C@H]1CSCCC(=O)N2CN3CN(C2)C(=O)CCSC[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C1=O)CCC2)Cc1c2c(cccc2)ccc1)CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@H](O)C)C(=O)N1[C@@H](CCC1)C(=O)N1[C@@H](CC(C1)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(=O)N)CCOCCOCCOCCN(CCOCCOCCOCCn1cc(nn1)CCC(=O)NCCCC[C@@H]1C(=O)N2[C@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H]3C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N4[C@@H](CCC4)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N[C@@H](CCCC)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N)CSCCC(=O)N4CN(CN(C(=O)CCSC[C@@H](C(=O)N[C@H](C(=O)N5[C@H](C(=O)N[C@H](C(=O)N1)CCC(=O)O)CCC5)CC(C)(C)C)NC(=O)C)C4)C(=O)CCSC3)CCC2)CCOCCOCCOCCn1cc(nn1)CCC(=O)NCCCC[C@@H]1C(=O)N2[C@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H]3C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N4[C@@H](CCC4)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N[C@@H](CCCC)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N)CSCCC(=O)N4CN(CN(C(=O)CCSC[C@@H](C(=O)N[C@H](C(=O)N5[C@H](C(=O)N[C@H](C(=O)N1)CCC(=O)O)CCC5)CC(C)(C)C)NC(=O)C)C4)C(=O)CCSC3)CCC2" . "DQYZLSMANMRIEI-BOFVMFDGSA-N" . "COc1ccc(cc1)[C@H]1CC(=O)c2c1c(OC)cc(c2)OC" . "O=C1C[C@H](c2ccc(OC)cc2)c2c(OC)cc(OC)cc12" . "OYJBHGSSAJNKJF-CQSZACIVSA-N" . "InChI=1S/C18H18O4/c1-20-12-6-4-11(5-7-12)14-10-16(19)15-8-13(21-2)9-17(22-3)18(14)15/h4-9,14H,10H2,1-3H3/t14-/m1/s1" . "COc1cccc(c1)[C@H](NC(=O)N1CCN(C[C@H]1C)c1ccncc1F)C" . "Fc1cnccc1N1C[C@H](N(CC1)C(=O)N[C@H](C)c1cc(ccc1)OC)C" . "CIPXFTLGPVQJKN-HUUCEWRRSA-N" . "InChI=1S/C20H25FN4O2/c1-14-13-24(19-7-8-22-12-18(19)21)9-10-25(14)20(26)23-15(2)16-5-4-6-17(11-16)27-3/h4-8,11-12,14-15H,9-10,13H2,1-3H3,(H,23,26)/t14-,15-/m1/s1" . "COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C" . "C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCc1cc(c(cc31)OC)O" . "CQOQDQWUFQDJMK-SSTWWWIQSA-N" . "InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1" . "NCC[C@@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N1CCC[C@H]1CC(=O)N)CCC(=O)O)C)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCNC(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)N)CCC(=O)O)CC(=O)O" . "CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCCCNC(=O)c1ccc(Oc2ccc(cc2)C(=O)N)cc1)C(=O)N(C)[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1CC(=O)N" . "FVDPKGPPYGTKTO-DLXWRWKMSA-N" . "InChI=1S/C50H70N10O16/c1-28(2)25-37(49(74)59(3)38(18-20-42(65)66)50(75)60-24-6-7-31(60)26-39(52)61)58-47(72)35(21-22-51)56-48(73)36(27-43(67)68)57-46(71)34(17-19-41(63)64)55-40(62)8-4-5-23-54-45(70)30-11-15-33(16-12-30)76-32-13-9-29(10-14-32)44(53)69/h9-16,28,31,34-38H,4-8,17-27,51H2,1-3H3,(H2,52,61)(H2,53,69)(H,54,70)(H,55,62)(H,56,73)(H,57,71)(H,58,72)(H,63,64)(H,65,66)(H,67,68)/t31-,34-,35-,36-,37-,38-/m0/s1" . "CC/C=C/C/C=C/C[C@@H](/C=C/C=C/C=C/[C@@H](C/C=C/CCC(=O)O)O)O" . "CC/C=C/C/C=C/C[C@@H](/C=C/C=C/C=C/[C@@H](C/C=C/CCC(=O)O)O)O" . "HLHYXXBCQOUTGK-LUSCUACYSA-N" . "InChI=1S/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-13,16-17,20-21,23-24H,2,5,14-15,18-19H2,1H3,(H,25,26)/b4-3-,8-7+,10-6-,13-9-,16-11+,17-12+/t20-,21-/m0/s1" . "CC/C=C/C/C=C/C[C@@H]([C@@H](/C=C/C=C/C=C/C/C=C/CCC(=O)O)O)O" . "CC/C=C/C/C=C/C[C@@H]([C@@H](/C=C/C=C/C=C/C/C=C/CCC(=O)O)O)O" . "ALWYOLKNLLFCAY-GYROAIJESA-N" . "InChI=1S/C22H32O4/c1-2-3-4-5-11-14-17-20(23)21(24)18-15-12-9-7-6-8-10-13-16-19-22(25)26/h3-4,6-7,9-15,18,20-21,23-24H,2,5,8,16-17,19H2,1H3,(H,25,26)/b4-3-,7-6-,12-9+,13-10-,14-11-,18-15+/t20-,21+/m0/s1" . "FC([C@@]1(C#CC2CC2)OC(=O)Nc2c1cc(Cl)cc2)(F)F" . "FC([C@@]1(C#CC2CC2)OC(=O)Nc2c1cc(Cl)cc2)(F)F" . "XPOQHMRABVBWPR-ZDUSSCGKSA-N" . "InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1" . "C[C@@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@](C2)(C)O)CC[C@@](C(F)(F)F)(O)C" . "C[C@H](CC[C@@](C)(C(F)(F)F)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CC=C2[C@@]1(CC[C@](C2)(C)O)C)C" . "BVBRUQYHUXKZMQ-JNVAYQLDSA-N" . "InChI=1S/C27H43F3O2/c1-17(10-13-26(5,32)27(28,29)30)20-8-9-21-19-7-6-18-16-23(2,31)14-15-24(18,3)22(19)11-12-25(20,21)4/h6,17,19-22,31-32H,7-16H2,1-5H3/t17-,19+,20-,21+,22+,23+,24+,25-,26+/m1/s1" . "OC[C@@H]1O[C@@H]([C@H]([C@H]1O)O)n1c(NC(C)C)nc2c1cc(Cl)c(c2)Cl" . "CC(C)Nc1nc2cc(c(cc2n1[C@@H]1[C@H]([C@H]([C@@H](O1)CO)O)O)Cl)Cl" . "KJFBVJALEQWJBS-XUXIUFHCSA-N" . "InChI=1S/C15H19Cl2N3O4/c1-6(2)18-15-19-9-3-7(16)8(17)4-10(9)20(15)14-13(23)12(22)11(5-21)24-14/h3-4,6,11-14,21-23H,5H2,1-2H3,(H,18,19)/t11-,12-,13-,14-/m0/s1" . "CNC(=O)c1ccc(cc1)Nc1nn(c(n1)N)C(=O)Nc1ccc(cc1)c1ccc(c(c1)C(=O)O)OCc1ccccc1" . "Nc1nc(Nc2ccc(C(=O)NC)cc2)nn1C(=O)Nc1ccc(c2cc(C(=O)O)c(OCc3ccccc3)cc2)cc1" . "SBHYXGMXVZWIKR-UHFFFAOYSA-N" . "InChI=1S/C31H27N7O5/c1-33-27(39)21-9-14-23(15-10-21)34-30-36-29(32)38(37-30)31(42)35-24-12-7-20(8-13-24)22-11-16-26(25(17-22)28(40)41)43-18-19-5-3-2-4-6-19/h2-17H,18H2,1H3,(H,33,39)(H,35,42)(H,40,41)(H3,32,34,36,37)" . "OC(=O)c1cc(ccc1OCc1ccccc1)c1ccc(cc1)NC(=O)n1nc(nc1N)Nc1ccc(cc1)S(=O)(=O)N" . "Nc1nc(Nc2ccc(S(=O)(=O)N)cc2)nn1C(=O)Nc1ccc(c2cc(C(=O)O)c(OCc3ccccc3)cc2)cc1" . "KMNBCUUTUMNJGS-UHFFFAOYSA-N" . "InChI=1S/C29H25N7O6S/c30-27-34-28(32-21-11-13-23(14-12-21)43(31,40)41)35-36(27)29(39)33-22-9-6-19(7-10-22)20-8-15-25(24(16-20)26(37)38)42-17-18-4-2-1-3-5-18/h1-16H,17H2,(H,33,39)(H,37,38)(H2,31,40,41)(H3,30,32,34,35)" . "CO/N=C(/c1nsc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccn2c1cccn2" . "CO/N=C(/c1nsc(n1)N)/C(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)C[n+]1c2cccnn2cc1)C(=O)[O-]" . "QDUIJCOKQCCXQY-WHJQOFBOSA-N" . "InChI=1S/C19H17N9O5S2/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27/h2-6,12,17H,7-8H2,1H3,(H3-,20,22,23,25,29,31,32)/b24-11-/t12-,17-/m1/s1" . "O=C([C@H](C(C1CC1)C1CC1)NC(=O)c1ccnn1C(C)C)Nc1ccc(cc1)c1c(C)n[nH]c1C" . "n1(nccc1C(=O)N[C@@H](C(C1CC1)C1CC1)C(=O)Nc1ccc(cc1)c1c([nH]nc1C)C)C(C)C" . "CQKVACARDGYEMU-VWLOTQADSA-N" . "InChI=1S/C27H34N6O2/c1-15(2)33-22(13-14-28-33)26(34)30-25(24(19-5-6-19)20-7-8-20)27(35)29-21-11-9-18(10-12-21)23-16(3)31-32-17(23)4/h9-15,19-20,24-25H,5-8H2,1-4H3,(H,29,35)(H,30,34)(H,31,32)/t25-/m0/s1" . "[Na]OC(=O)[C@H](Cc1ccc(cc1)OC(=O)N1CCCC1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1" . "O=C([C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)Cc1ccc(cc1)OC(=O)N1CCCC1)OH" . "PNMINTLPFWMZKM-VROPFNGYSA-M" . "InChI=1S/C25H29N3O7S.Na/c29-23(22-9-6-16-28(22)36(33,34)20-7-2-1-3-8-20)26-21(24(30)31)17-18-10-12-19(13-11-18)35-25(32)27-14-4-5-15-27;/h1-3,7-8,10-13,21-22H,4-6,9,14-17H2,(H,26,29)(H,30,31);/q;+1/p-1/t21-,22-;/m0./s1" . "O=C1NCCC[C@H]1C[C@@H](C(S(=O)(=O)O)O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2c([nH]1)cccc2" . "[nH]1c(cc2ccccc12)C(=O)N1[C@@H]([C@@H]2[C@H](C1)CCC2)C(=O)N[C@H](C(S(=O)(=O)O)O)C[C@H]1C(=O)NCCC1" . "YRZQYTTUZBVUFK-KVAWWVGVSA-N" . "InChI=1S/C25H32N4O7S/c30-22-15(7-4-10-26-22)12-20(25(33)37(34,35)36)28-23(31)21-17-8-3-6-16(17)13-29(21)24(32)19-11-14-5-1-2-9-18(14)27-19/h1-2,5,9,11,15-17,20-21,25,27,33H,3-4,6-8,10,12-13H2,(H,26,30)(H,28,31)(H,34,35,36)/t15-,16-,17-,20-,21-,25?/m0/s1" . "O=C(N[C@H](C(=O)NC(C(=O)C(=O)NC1CC1)C[C@@H]1CCNC1=O)CC(C)(C)C)/C=C/c1ccc(cc1Cl)Cl" . "CC(C)(C)C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)C(=O)NC(C[C@@H]1CCNC1=O)C(=O)C(=O)NC1CC1" . "BIIBYWQGRFWQKM-JVVROLKMSA-N" . "InChI=1S/C27H34Cl2N4O5/c1-27(2,3)14-21(32-22(34)9-5-15-4-6-17(28)13-19(15)29)25(37)33-20(12-16-10-11-30-24(16)36)23(35)26(38)31-18-7-8-18/h4-6,9,13,16,18,20-21H,7-8,10-12,14H2,1-3H3,(H,30,36)(H,31,38)(H,32,34)(H,33,37)/b9-5+/t16-,20?,21-/m0/s1" . "O=C[C@@H](NC(=O)C1[C@H]2CCC[C@H]2CN1C(=O)CCc1cccc(c1)F)C[C@@H]1CCNC1=O" . "[C@@H]12CCC[C@@H]1C(N(C2)C(=O)CCc1cccc(F)c1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O" . "FIOKKXQKMFIASF-NAQAXNRLSA-N" . "InChI=1S/C24H30FN3O4/c25-18-5-1-3-15(11-18)7-8-21(30)28-13-17-4-2-6-20(17)22(28)24(32)27-19(14-29)12-16-9-10-26-23(16)31/h1,3,5,11,14,16-17,19-20,22H,2,4,6-10,12-13H2,(H,26,31)(H,27,32)/t16-,17-,19-,20-,22?/m0/s1" . "N#Cc1ccc(cc1Cl)N1N=C2[C@@H]([C@@H]1C1CCCC1)CCc1c2ccc(n1)C(=O)N1CCC(CC1)O" . "C1CCC(C1)[C@H]1[C@H]2CCc3c(C2=NN1c1cc(c(cc1)C#N)Cl)ccc(n3)C(=O)N1CCC(CC1)O" . "UXHQLGLGLZKHTC-CUNXSJBXSA-N" . "InChI=1S/C28H30ClN5O2/c29-23-15-19(6-5-18(23)16-30)34-27(17-3-1-2-4-17)22-8-9-24-21(26(22)32-34)7-10-25(31-24)28(36)33-13-11-20(35)12-14-33/h5-7,10,15,17,20,22,27,35H,1-4,8-9,11-14H2/t22-,27-/m0/s1" . "Fc1ccc(cc1)N1c2ccc(cc2OC(C1=O)(C)C)NS(=O)(=O)C" . "O=C1C(C)(C)Oc2cc(NS(=O)(=O)C)ccc2N1c1ccc(F)cc1" . "AZNHWXAFPBYFGH-UHFFFAOYSA-N" . "InChI=1S/C17H17FN2O4S/c1-17(2)16(21)20(13-7-4-11(18)5-8-13)14-9-6-12(10-15(14)24-17)19-25(3,22)23/h4-10,19H,1-3H3" . "C1N2CN3CN1CN(C2)C3" . "C1N2CN3CN1CN(C2)C3" . "VKYKSIONXSXAKP-UHFFFAOYSA-N" . "InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2" . "O=C(N1[C@@H]2CC[C@H]1CC(C2)(O)c1ncccn1)c1csc(c1)c1c[nH]nc1" . "C1C[C@H]2CC(C[C@@H]1N2C(=O)c1csc(c1)c1c[nH]nc1)(c1ncccn1)O" . "MMZFGTAMARVHAF-RTHVDDQRSA-N" . "InChI=1S/C19H19N5O2S/c25-17(12-6-16(27-11-12)13-9-22-23-10-13)24-14-2-3-15(24)8-19(26,7-14)18-20-4-1-5-21-18/h1,4-6,9-11,14-15,26H,2-3,7-8H2,(H,22,23)/t14-,15+,19?" . "CCOC(=O)c1sc(nc1O)c1ccncc1" . "CCOC(=O)c1sc(nc1O)c1ccncc1" . "SHVRAFGUKKOKIO-UHFFFAOYSA-N" . "InChI=1S/C11H10N2O3S/c1-2-16-11(15)8-9(14)13-10(17-8)7-3-5-12-6-4-7/h3-6,14H,2H2,1H3" . "CO/N=C(/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1cccc2c1CCC2)/c1csc(n1)N" . "CO/N=C(/c1csc(n1)N)/C(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)C[n+]1cccc2c1CCC2)C(=O)[O-]" . "DKOQGJHPHLTOJR-WHRDSVKCSA-N" . "InChI=1S/C22H22N6O5S2/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32)/b26-15-/t16-,20-/m1/s1" . "OCCn1c(N)cc[n+]1CC1=C(C(=O)[O-])N2[C@H](SC1)[C@@H](C2=O)NC(=O)/C(=N/OC)/c1csc(n1)N" . "CO/N=C(/c1csc(n1)N)/C(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)C[n+]1ccc(n1CCO)N)C(=O)[O-]" . "BHXLLRXDAYEMPP-SBGRAJFYSA-N" . "InChI=1S/C19H22N8O6S2/c1-33-24-12(10-8-35-19(21)22-10)15(29)23-13-16(30)27-14(18(31)32)9(7-34-17(13)27)6-25-3-2-11(20)26(25)4-5-28/h2-3,8,13,17,20,28H,4-7H2,1H3,(H4,21,22,23,29,31,32)/b24-12-/t13-,17-/m1/s1" . "COc1cc(F)cc(c1)C(=O)c1cc(C)c(c(c1)C)Oc1ccc2c(c1)c(OC)nc(c2O)C(=O)NCC(=O)O" . "O=C(NCC(=O)O)c1c(O)c2ccc(Oc3c(C)cc(C(=O)c4cc(OC)cc(F)c4)cc3C)cc2c(OC)n1" . "CRBPLLHXFFMVKV-UHFFFAOYSA-N" . "InChI=1S/C29H25FN2O8/c1-14-7-16(25(35)17-9-18(30)11-20(10-17)38-3)8-15(2)27(14)40-19-5-6-21-22(12-19)29(39-4)32-24(26(21)36)28(37)31-13-23(33)34/h5-12,36H,13H2,1-4H3,(H,31,37)(H,33,34)" . "N#Cc1nn(c2cc(Cl)c(c(c2)Cl)Oc2n[nH]c(=O)c(c2)C(C)C)c(=O)[nH]c1=O" . "Clc1cc(cc(c1Oc1n[nH]c(=O)c(c1)C(C)C)Cl)n1nc(c(=O)[nH]c1=O)C#N" . "FDBYIYFVSAHJLY-UHFFFAOYSA-N" . "InChI=1S/C17H12Cl2N6O4/c1-7(2)9-5-13(22-23-15(9)26)29-14-10(18)3-8(4-11(14)19)25-17(28)21-16(27)12(6-20)24-25/h3-5,7H,1-2H3,(H,23,26)(H,21,27,28)" . "C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)[O-])SC1C[n+]2n(C1)cnc2)O" . "C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC1Cn2cnc[n+]2C1)C(=O)[O-])[C@@H](C)O" . "MRMBZHPJVKCOMA-YJFSRANCSA-N" . "InChI=1S/C15H18N4O4S/c1-7-11-10(8(2)20)14(21)19(11)12(15(22)23)13(7)24-9-3-17-5-16-6-18(17)4-9/h5-11,20H,3-4H2,1-2H3/t7-,8-,10-,11-/m1/s1" . "CO[C@@H]1[C@@H](OC(=O)N)[C@@H](O)[C@@H](OC1(C)C)Oc1ccc2c(c1C)oc(=O)c(c2O)NC(=O)c1ccc(c(c1)CC=C(C)C)O" . "Cc1c(ccc2c1oc(=O)c(c2O)NC(=O)c1cc(c(cc1)O)CC=C(C)C)O[C@H]1[C@@H]([C@@H]([C@H](C(O1)(C)C)OC)OC(=O)N)O" . "YJQPYGGHQPGBLI-KGSXXDOSSA-N" . "InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1" . "O=C(Nc1ccc(cc1)c1cccnc1)Cc1ccc(cc1)c1ccnc(c1)C" . "Cc1nccc(c1)c1ccc(cc1)CC(=O)Nc1ccc(cc1)c1cnccc1" . "KHZOJCQBHJUJFY-UHFFFAOYSA-N" . "InChI=1S/C25H21N3O/c1-18-15-22(12-14-27-18)20-6-4-19(5-7-20)16-25(29)28-24-10-8-21(9-11-24)23-3-2-13-26-17-23/h2-15,17H,16H2,1H3,(H,28,29)" . "CCCn1c(SCC(=O)Nc2nc3c(s2)cc(cc3)OC)nnc1c1ccncc1" . "CCCn1c(nnc1SCC(=O)Nc1nc2c(s1)cc(cc2)OC)c1ccncc1" . "JIUFLMSAFMXEEC-UHFFFAOYSA-N" . "InChI=1S/C20H20N6O2S2/c1-3-10-26-18(13-6-8-21-9-7-13)24-25-20(26)29-12-17(27)23-19-22-15-5-4-14(28-2)11-16(15)30-19/h4-9,11H,3,10,12H2,1-2H3,(H,22,23,27)" . "CO/N=C(/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C)/c1csc(n1)N" . "Cn1c(nnn1)SCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/OC)/c2csc(n2)N)SC1)C(=O)O" . "HJJDBAOLQAWBMH-YCRCPZNHSA-N" . "InChI=1S/C16H17N9O5S3/c1-24-16(20-22-23-24)33-4-6-3-31-13-9(12(27)25(13)10(6)14(28)29)19-11(26)8(21-30-2)7-5-32-15(17)18-7/h5,9,13H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29)/b21-8-/t9-,13-/m1/s1" . "O/N=C(/c1csc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C=C" . "C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/O)/c2csc(n2)N)SC1)C(=O)O" . "RTXOFQZKPXMALH-GHXIOONMSA-N" . "InChI=1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1" . "OC(=O)C/C=C(/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC=C2C(=O)O)/c1csc(n1)N" . "C1C=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=C/CC(=O)O)/c1csc(n1)N)C(=O)O" . "UNJFKXSSGBWRBZ-BJCIPQKHSA-N" . "InChI=1S/C15H14N4O6S2/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25)/b6-1-/t10-,13-/m1/s1" . "CCC1(CC)CC(=O)N(C(=N1)N)[C@@H](c1cccc(c1)C(=O)N[C@H]1CCOc2c1cccc2)CC(C)C" . "[C@H](CC(C)C)(N1C(=O)CC(CC)(CC)N=C1N)c1cc(C(=O)N[C@@H]2c3c(OCC2)cccc3)ccc1" . "PDKYBFRBTVUAEM-BJKOFHAPSA-N" . "InChI=1S/C29H38N4O3/c1-5-29(6-2)18-26(34)33(28(30)32-29)24(16-19(3)4)20-10-9-11-21(17-20)27(35)31-23-14-15-36-25-13-8-7-12-22(23)25/h7-13,17,19,23-24H,5-6,14-16,18H2,1-4H3,(H2,30,32)(H,31,35)/t23-,24+/m0/s1" . "Oc1ccc(cc1)[C@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C)NC(=O)c1c[nH]c(cc1=O)C" . "Cc1cc(=O)c(c[nH]1)C(=O)N[C@H](c1ccc(cc1)O)C(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)CSc1nnnn1C)C(=O)O" . "PWAUCHMQEXVFJR-PMAPCBKXSA-N" . "InChI=1S/C25H24N8O7S2/c1-11-7-16(35)15(8-26-11)20(36)27-17(12-3-5-14(34)6-4-12)21(37)28-18-22(38)33-19(24(39)40)13(9-41-23(18)33)10-42-25-29-30-31-32(25)2/h3-8,17-18,23,34H,9-10H2,1-2H3,(H,26,35)(H,27,36)(H,28,37)(H,39,40)/t17-,18-,23-/m1/s1" . "CO[C@@]1(NC(=O)C(c2ccc(cc2)O)C(=O)O)C(=O)N2[C@@H]1OCC(=C2C(=O)O)CSc1nnnn1C" . "Cn1c(nnn1)SCC1=C(N2[C@@H]([C@@](C2=O)(NC(=O)C(c2ccc(cc2)O)C(=O)O)OC)OC1)C(=O)O" . "JWCSIUVGFCSJCK-CAVRMKNVSA-N" . "InChI=1S/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32)/t12?,18-,20+/m1/s1" . "CC#CC(=O)Nc1cc(c(cc1N1C[C@H]2C[C@@H]1CO2)OC)c1ncc2c(c1)n(CC)c(=O)c(c2)c1c(Cl)c(OC)cc(c1Cl)OC" . "[C@H]12OC[C@H](N(C1)c1c(cc(c(c1)OC)c1ncc3cc(c(=O)n(c3c1)CC)c1c(c(cc(c1Cl)OC)OC)Cl)NC(=O)C#CC)C2" . "VDIDNMGZRIMBKL-WOJBJXKFSA-N" . "InChI=1S/C34H32Cl2N4O6/c1-6-8-30(41)38-24-11-21(27(43-3)13-26(24)40-16-20-10-19(40)17-46-20)23-12-25-18(15-37-23)9-22(34(42)39(25)7-2)31-32(35)28(44-4)14-29(45-5)33(31)36/h9,11-15,19-20H,7,10,16-17H2,1-5H3,(H,38,41)/t19-,20-/m1/s1" . "Fc1ccc(cc1)Cc1sc2c(c1C(=O)NCc1ccc(cc1)C(=O)O)CCOC2" . "O=C(NCc1ccc(C(=O)O)cc1)c1c(Cc2ccc(F)cc2)sc2c1CCOC2" . "WXDKVCQSVUOFSK-UHFFFAOYSA-N" . "InChI=1S/C23H20FNO4S/c24-17-7-3-14(4-8-17)11-19-21(18-9-10-29-13-20(18)30-19)22(26)25-12-15-1-5-16(6-2-15)23(27)28/h1-8H,9-13H2,(H,25,26)(H,27,28)" . "CC(C[C@@H](C(=O)N[C@H]([C@@H](S(=O)(=O)O)O)C[C@@H]1CCNC1=O)NC(=O)OC1CC2(C1)CCN(CC2)S(=O)(=O)C)C" . "O[C@@H]([C@H](C[C@H]1C(=O)NCC1)NC(=O)[C@@H](NC(=O)OC1CC2(C1)CCN(CC2)S(=O)(=O)C)CC(C)C)S(=O)(=O)O" . "DXHKTWBJEAVWSD-QUJKESNLSA-N" . "InChI=1S/C23H40N4O10S2/c1-14(2)10-17(20(29)25-18(21(30)39(34,35)36)11-15-4-7-24-19(15)28)26-22(31)37-16-12-23(13-16)5-8-27(9-6-23)38(3,32)33/h14-18,21,30H,4-13H2,1-3H3,(H,24,28)(H,25,29)(H,26,31)(H,34,35,36)/t15-,17-,18-,21+/m0/s1" . "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2c(c(c3C)O)c(O)c(=NC(=O)/C(=C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)/C)c1=NC3(Nc21)CCN(CC3)CC(C)C" . "C[C@H]1/C=C/C=C(/C(=O)N=c2c(c3c(c4c2=NC2(N4)CCN(CC2)CC(C)C)c2c(c(c3O)C)O[C@@](C2=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)O)/C" . "ZWBTYMGEBZUQTK-PVLSIAFMSA-N" . "InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,48,52-55H,16-19,21H2,1-11H3/b13-12+,20-15+,24-14-,47-36?/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1" . "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2c(O)c(/C=N/N4CCN(CC4)C4CCCC4)c(c(c2c(c3C)O)O)NC(=O)/C(=C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)/C" . "C[C@H]1/C=C/C=C(/C(=O)Nc2c(c(c3c(c2O)c(c(c2c3C(=O)[C@](O2)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C=N/N1CCN(CC1)C1CCCC1)/C" . "WDZCUPBHRAEYDL-GZAUEHORSA-N" . "InChI=1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12+,22-17+,25-14-,48-23+/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1" . "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2c(c(c3C)O)c(O)c(c3c2nc2n3ccc(c2)C)NC(=O)/C(=C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)/C" . "C[C@H]1/C=C/C=C(/C(=O)Nc2c(c3c(c4c(c(c3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)c1c2n2ccc(cc2n1)C)O)/C" . "NZCRJKRKKOLAOJ-XRCRFVBUSA-N" . "InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11+,17-15+,21-13-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1" . "CSc1c(Cl)ccc2c1n(CC(=O)O)c1c(c2=O)ccc(c1)C(C)(C)C" . "CSc1c(Cl)ccc2c1n(CC(=O)O)c1c(ccc(c1)C(C)(C)C)c2=O" . "CLGJCTXUWJLYHO-UHFFFAOYSA-N" . "InChI=1S/C20H20ClNO3S/c1-20(2,3)11-5-6-12-15(9-11)22(10-16(23)24)17-13(18(12)25)7-8-14(21)19(17)26-4/h5-9H,10H2,1-4H3,(H,23,24)" . "C[C@@H]1N[C@H](C)CN(C1)Cc1cc(Nc2ncc(c(n2)c2c[nH]c3c2ccc(c3)C)Cl)cc(c1)C1CC1" . "C[C@@H]1CN(C[C@@H](N1)C)Cc1cc(cc(c1)Nc1ncc(c(n1)c1c[nH]c2c1ccc(c2)C)Cl)C1CC1" . "FZLSDZZNPXXBBB-KDURUIRLSA-N" . "InChI=1S/C29H33ClN6/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35)/t18-,19+" . "[O-]C(=O)C(=O)[O-]" . "[O-]C(=O)C(=O)[O-]" . "MUBZPKHOEPUJKR-UHFFFAOYSA-L" . "InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2" . "COc1cc(ccc1Nc1ncc(c(n1)NC)C)C(=O)N1CCN(CC1)C[C@@H]1CC[C@H](CC1)CSC([C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCc1ccc(cc1)c1scnc1C)O)NC(=O)C1(F)CC1)(C)C" . "CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCN(C[C@H]3CC[C@H](CSC(C)(C)[C@H](NC(=O)C4(F)CC4)C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc4ccc(cc4)c4scnc4C)CC3)CC2)ncc1C" . "XSOATTNBVDAEAR-QGHWPEOCSA-N" . "InChI=1S/C51H67FN10O6S2/c1-31-25-55-49(59-44(31)53-5)57-39-16-15-37(23-41(39)68-6)46(65)61-21-19-60(20-22-61)27-34-7-9-35(10-8-34)29-70-50(3,4)43(58-48(67)51(52)17-18-51)47(66)62-28-38(63)24-40(62)45(64)54-26-33-11-13-36(14-12-33)42-32(2)56-30-69-42/h11-16,23,25,30,34-35,38,40,43,63H,7-10,17-22,24,26-29H2,1-6H3,(H,54,64)(H,58,67)(H2,53,55,57,59)/t34-,35-,38-,40+,43-/m1/s1" . "Fc1cc(F)c2c(c1)OCC[C@@H]2Oc1cc(cc2c1nc([nH]2)C)C(=O)N(C)C" . "Cc1nc2c([nH]1)cc(cc2O[C@H]1CCOc2c1c(cc(c2)F)F)C(=O)N(C)C" . "CLIQCDHNPDMGSL-HNNXBMFYSA-N" . "InChI=1S/C20H19F2N3O3/c1-10-23-14-6-11(20(26)25(2)3)7-17(19(14)24-10)28-15-4-5-27-16-9-12(21)8-13(22)18(15)16/h6-9,15H,4-5H2,1-3H3,(H,23,24)/t15-/m0/s1" . "O=C(c1ccc(cc1N1CCC2(CC1)CC2)NS(=O)(=O)C1(C)CC1)Nc1cccc(c1)S(=O)(=O)NC(C)(C)C" . "CC(C)(C)NS(=O)(=O)c1cc(NC(=O)c2c(cc(NS(=O)(=O)C3(C)CC3)cc2)N2CCC3(CC3)CC2)ccc1" . "MZGYQJDGUVDYIK-UHFFFAOYSA-N" . "InChI=1S/C28H38N4O5S2/c1-26(2,3)31-38(34,35)22-7-5-6-20(18-22)29-25(33)23-9-8-21(30-39(36,37)27(4)10-11-27)19-24(23)32-16-14-28(12-13-28)15-17-32/h5-9,18-19,30-31H,10-17H2,1-4H3,(H,29,33)" . "OC(=O)C1CCC(CC1)NCC1(F)CN(C1)c1ccc(cc1)N1c2cc(Cl)ccc2c2c(C(C1=O)(C)C)ncc(c2)Cl" . "Clc1cc2c(C(C(=O)N(c3c2ccc(c3)Cl)c2ccc(cc2)N2CC(C2)(F)CNC2CCC(CC2)C(=O)O)(C)C)nc1" . "JAOGFYSXDYNYSX-UHFFFAOYSA-N" . "InChI=1S/C32H33Cl2FN4O3/c1-31(2)28-26(13-21(34)15-36-28)25-12-5-20(33)14-27(25)39(30(31)42)24-10-8-23(9-11-24)38-17-32(35,18-38)16-37-22-6-3-19(4-7-22)29(40)41/h5,8-15,19,22,37H,3-4,6-7,16-18H2,1-2H3,(H,40,41)" . "Fc1cccc(n1)c1ccc(cc1)Cn1nc2c(c1Nc1ccccc1)c(=O)n(c1=N[C@H]3[C@@H](n21)CCC3)C" . "Cn1c(=O)c2c(n(nc2n2c1=N[C@H]1[C@@H]2CCC1)Cc1ccc(cc1)c1nc(ccc1)F)Nc1ccccc1" . "BBIPVJCGIASXJB-PKTZIBPZSA-N" . "InChI=1S/C29H26FN7O/c1-35-28(38)25-26(31-20-7-3-2-4-8-20)36(34-27(25)37-23-11-5-10-22(23)33-29(35)37)17-18-13-15-19(16-14-18)21-9-6-12-24(30)32-21/h2-4,6-9,12-16,22-23,31H,5,10-11,17H2,1H3/t22-,23+/m1/s1" . "F[C@@H]1CCN(C1)C(=O)c1ccc2c(n1)ccc(c2)Oc1ccc(cn1)C(F)(F)F" . "F[C@H]1CN(CC1)C(=O)c1nc2ccc(cc2cc1)Oc1ncc(cc1)C(F)(F)F" . "FWLFRXVPNVBXGR-CQSZACIVSA-N" . "InChI=1S/C20H15F4N3O2/c21-14-7-8-27(11-14)19(28)17-4-1-12-9-15(3-5-16(12)26-17)29-18-6-2-13(10-25-18)20(22,23)24/h1-6,9-10,14H,7-8,11H2/t14-/m1/s1" . "CN1CCC(CC1)c1ccc(cc1)c1ccc2c(c1)C(=O)N(C2)C(c1cc(F)ccc1O)C(=O)Nc1nccs1" . "CN1CCC(CC1)c1ccc(cc1)c1cc2c(CN(C(C(=O)Nc3nccs3)c3c(O)ccc(F)c3)C2=O)cc1" . "SYTVDTWRIZNVEW-UHFFFAOYSA-N" . "InChI=1S/C31H29FN4O3S/c1-35-13-10-21(11-14-35)19-2-4-20(5-3-19)22-6-7-23-18-36(30(39)25(23)16-22)28(26-17-24(32)8-9-27(26)37)29(38)34-31-33-12-15-40-31/h2-9,12,15-17,21,28,37H,10-11,13-14,18H2,1H3,(H,33,34,38)" . "CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)c1cccc(c1)CN1CCN(CC1)CCNC(=O)CCCCCCCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O" . "CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)c1cc(CN2CCN(CCNC(=O)CCCCCCCNc3c4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4ccc3)CC2)ccc1" . "STBAQMSNPQNEBZ-UHFFFAOYSA-N" . "InChI=1S/C52H61F3N10O7/c1-61-21-27-64(28-22-61)42-15-14-36(30-41(42)59-48(69)38-32-58-46(68)31-39(38)52(53,54)55)35-10-7-9-34(29-35)33-63-25-23-62(24-26-63)20-19-57-44(66)13-5-3-2-4-6-18-56-40-12-8-11-37-47(40)51(72)65(50(37)71)43-16-17-45(67)60-49(43)70/h7-12,14-15,29-32,43,56H,2-6,13,16-28,33H2,1H3,(H,57,66)(H,58,68)(H,59,69)(H,60,67,70)" . "CCn1nc(c(c1)c1cc(Cn2cncc2)cc2c1CCN(C2=O)[C@H](c1nccc(c1)C)C1CC1)C(F)(F)F" . "CCn1cc(c(n1)C(F)(F)F)c1cc(Cn2ccnc2)cc2c1CCN([C@@H](C1CC1)c1cc(C)ccn1)C2=O" . "FFUQRXFVTVBZMZ-SANMLTNESA-N" . "InChI=1S/C29H29F3N6O/c1-3-37-16-24(27(35-37)29(30,31)32)22-13-19(15-36-11-9-33-17-36)14-23-21(22)7-10-38(28(23)39)26(20-4-5-20)25-12-18(2)6-8-34-25/h6,8-9,11-14,16-17,20,26H,3-5,7,10,15H2,1-2H3/t26-/m0/s1" . "c1csc(c1)/C=C/c1[nH]ncc1" . "c1csc(c1)/C=C/c1ccn[nH]1" . "FOHWAQGURRYJFK-ONEGZZNKSA-N" . "InChI=1S/C9H8N2S/c1-2-9(12-7-1)4-3-8-5-6-10-11-8/h1-7H,(H,10,11)/b4-3+" . "CSc1[nH]n2c(n1)nnc(c2=O)[N+](=O)[O-]" . "CSc1nc2nnc(c(=O)n2[nH]1)[N+](=O)[O-]" . "IDVQGNMSSHPZSJ-UHFFFAOYSA-N" . "InChI=1S/C5H4N6O3S/c1-15-5-6-4-8-7-2(11(13)14)3(12)10(4)9-5/h1H3,(H,6,8,9)" . "C=CC(=O)N1C[C@@H]2CCOc3c4c(N2C[C@H]1C)ncnc4c(c(c3Cl)c1c(O)cccc1F)F" . "C[C@@H]1CN2c3c4c(c(c(c(c4OCC[C@H]2CN1C(=O)C=C)Cl)c1c(cccc1F)O)F)ncn3" . "KYVBBJIEKCCZTM-OLZOCXBDSA-N" . "InChI=1S/C24H21ClF2N4O3/c1-3-16(33)30-10-13-7-8-34-23-19-22(28-11-29-24(19)31(13)9-12(30)2)21(27)18(20(23)25)17-14(26)5-4-6-15(17)32/h3-6,11-13,32H,1,7-10H2,2H3/t12-,13+/m1/s1" . "OC(=O)[C@H](c1ccc(cc1)C[C@H]1CCC[C@@H]1O)C" . "O[C@@H]1[C@H](CCC1)Cc1ccc(cc1)[C@@H](C(=O)O)C" . "SHAHPWSYJFYMRX-GDLCADMTSA-N" . "InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10-,13+,14-/m0/s1" . "COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCNC(=O)[C@@H]1C[C@H](CC)[C@H]([C@@H](C1)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1NC(=O)C)O[C@H](C(=O)O)CC1CCCCC1)O)O[C@@H]1O[C@@H](C)[C@H]([C@H]([C@@H]1O)O)O" . "CC[C@H]1C[C@H](C[C@H]([C@@H]1O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@@H](CC1CCCCC1)C(=O)O)NC(=O)C)C(=O)NCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC" . "LYSYOXNOOPBOSC-NGSKMYNLSA-N" . "InChI=1S/C60H109N3O27/c1-5-44-38-45(39-46(55(44)90-60-54(70)53(69)51(67)41(2)86-60)88-59-50(63-42(3)65)56(52(68)48(40-64)89-59)87-47(58(72)73)37-43-9-7-6-8-10-43)57(71)62-13-12-61-49(66)11-14-75-17-18-77-21-22-79-25-26-81-29-30-83-33-34-85-36-35-84-32-31-82-28-27-80-24-23-78-20-19-76-16-15-74-4/h41,43-48,50-56,59-60,64,67-70H,5-40H2,1-4H3,(H,61,66)(H,62,71)(H,63,65)(H,72,73)/t41-,44-,45+,46+,47-,48+,50+,51+,52-,53+,54-,55+,56+,59+,60-/m0/s1" . "O=C1CC(=NN1c1ccccc1)C" . "CC1=NN(C(=O)C1)c1ccccc1" . "QELUYTUMUWHWMC-UHFFFAOYSA-N" . "InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3" . "N#C[C@]1(O[C@@H]([C@H]([C@H]1OC(=O)C(C)C)OC(=O)C(C)C)COC(=O)C(C)C)c1cc(c2n1ncnc2N)[2H]" . "c1([2H])c2n(ncnc2N)c(c1)[C@@]1(O[C@H](COC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C)C#N" . "RVSSLHFYCSUAHY-QXMJNOOVSA-N" . "InChI=1S/C24H31N5O7/c1-12(2)21(30)33-9-16-18(34-22(31)13(3)4)19(35-23(32)14(5)6)24(10-25,36-16)17-8-7-15-20(26)27-11-28-29(15)17/h7-8,11-14,16,18-19H,9H2,1-6H3,(H2,26,27,28)/t16-,18-,19-,24+/m1/s1/i7D" . "ClCCN(C(COc1ccccc1)C)Cc1ccccc1" . "ClCCN(C(COc1ccccc1)C)Cc1ccccc1" . "QZVCTJOXCFMACW-UHFFFAOYSA-N" . "InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3" . "N#Cc1ccc(c(c1C(F)(F)F)F)N1C(=S)N(C(C1=O)(C)C)c1ccc(nc1)CCCc1ncco1" . "CC1(C(=O)N(C(=S)N1c1cnc(cc1)CCCc1ncco1)c1c(c(c(cc1)C#N)C(F)(F)F)F)C" . "KCBJGVDOSBKVKP-UHFFFAOYSA-N" . "InChI=1S/C24H19F4N5O2S/c1-23(2)21(34)32(17-9-6-14(12-29)19(20(17)25)24(26,27)28)22(36)33(23)16-8-7-15(31-13-16)4-3-5-18-30-10-11-35-18/h6-11,13H,3-5H2,1-2H3" . "Clc1ccc(cc1)CNc1cc(N2CCC(CC2)NC(C)(C)C)c2c(n1)cccc2" . "CC(C)(C)NC1CCN(CC1)c1cc(nc2ccccc12)NCc1ccc(cc1)Cl" . "QVXSJSXAVQJXOV-UHFFFAOYSA-N" . "InChI=1S/C25H31ClN4/c1-25(2,3)29-20-12-14-30(15-13-20)23-16-24(28-22-7-5-4-6-21(22)23)27-17-18-8-10-19(26)11-9-18/h4-11,16,20,29H,12-15,17H2,1-3H3,(H,27,28)" . "OC(=O)[C@@H]1[C@@H](Cc2ccnc(c2)N)C(=O)N1C(=O)N[C@@H](C1CCCCC1)C" . "Nc1nccc(c1)C[C@@H]1[C@H](N(C1=O)C(=O)N[C@H](C)C1CCCCC1)C(=O)O" . "NYPSZHLKEMYZKK-XFJVYGCCSA-N" . "InChI=1S/C19H26N4O4/c1-11(13-5-3-2-4-6-13)22-19(27)23-16(18(25)26)14(17(23)24)9-12-7-8-21-15(20)10-12/h7-8,10-11,13-14,16H,2-6,9H2,1H3,(H2,20,21)(H,22,27)(H,25,26)/t11-,14-,16+/m1/s1" . "CN1CC[C@H]([C@@H](C1)F)Nc1n[nH]c2c1cc(C1CC1)c(c2)c1cc(C)nc(c1)C" . "C1(CC1)c1cc2c(n[nH]c2cc1c1cc(nc(c1)C)C)N[C@H]1[C@@H](CN(CC1)C)F" . "PNGWZDXPZBZBRC-NHCUHLMSSA-N" . "InChI=1S/C23H28FN5/c1-13-8-16(9-14(2)25-13)18-11-22-19(10-17(18)15-4-5-15)23(28-27-22)26-21-6-7-29(3)12-20(21)24/h8-11,15,20-21H,4-7,12H2,1-3H3,(H2,26,27,28)/t20-,21-/m1/s1" . "F[C@H]1CN([C@@H](C1)C(=O)Nc1cccc(n1)Br)C(=O)Cn1nc(c2c1ccc(c2)c1cnc(nc1)C)C(=O)C" . "Cc1ncc(cn1)c1cc2c(cc1)n(nc2C(=O)C)CC(=O)N1C[C@@H](C[C@H]1C(=O)Nc1nc(ccc1)Br)F" . "PIBARDGJJAGJAJ-NQIIRXRSSA-N" . "InChI=1S/C26H23BrFN7O3/c1-14(36)25-19-8-16(17-10-29-15(2)30-11-17)6-7-20(19)35(33-25)13-24(37)34-12-18(28)9-21(34)26(38)32-23-5-3-4-22(27)31-23/h3-8,10-11,18,21H,9,12-13H2,1-2H3,(H,31,32,38)/t18-,21+/m1/s1" . "O[C@H]1C[C@@]2(C)[C@@H](C[C@H]1O)C(=O)C=C1[C@@H]2CC[C@]2([C@@]1(O)CC[C@@H]2[C@]([C@@H](CCC(O)(C)C)O)(O)C)C" . "C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O" . "NKDFYOWSKOHCCO-YPVLXUMRSA-N" . "InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1" . "C#CCn1c(=O)n(c2c1c(=O)[nH]c(n2)N)[C@@H]1O[C@@H]([C@H]([C@H]1O)F)CO" . "Nc1[nH]c(=O)c2n(c(=O)n(c2n1)[C@@H]1O[C@@H]([C@H]([C@H]1O)F)CO)CC#C" . "TVTJUIAKQFIXCE-HUKYDQBMSA-N" . "InChI=1S/C13H14FN5O5/c1-2-3-18-7-9(16-12(15)17-10(7)22)19(13(18)23)11-8(21)6(14)5(4-20)24-11/h1,5-6,8,11,20-21H,3-4H2,(H3,15,16,17,22)/t5-,6-,8-,11-/m1/s1" . "CN(CC/C=C/1/c2ccccc2Sc2c1cc(Cl)cc2)C" . "CN(C)CC/C=C/1/c2ccccc2Sc2c1cc(cc2)Cl" . "WSPOMRSOLSGNFJ-AUWJEWJLSA-N" . "InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-" . "OC[C@@H](C(=O)N1CC2=C(C1)CN(C2)S(=O)(=O)c1cnc2c(c1)OCCO2)c1ccccc1" . "C1COc2c(O1)cc(cn2)S(=O)(=O)N1CC2=C(C1)CN(C2)C(=O)[C@H](CO)c1ccccc1" . "KZFFYEPYCVDOGE-LJQANCHMSA-N" . "InChI=1S/C22H23N3O6S/c26-14-19(15-4-2-1-3-5-15)22(27)24-10-16-12-25(13-17(16)11-24)32(28,29)18-8-20-21(23-9-18)31-7-6-30-20/h1-5,8-9,19,26H,6-7,10-14H2/t19-/m1/s1" . "OC(=O)C1=CCCNC1" . "OC(=O)C1=CCCNC1" . "QTDZOWFRBNTPQR-UHFFFAOYSA-N" . "InChI=1S/C6H9NO2/c8-6(9)5-2-1-3-7-4-5/h2,7H,1,3-4H2,(H,8,9)" . "CC[C@@H]([C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2[nH]cnc2)NC(=O)[C@H](C)NC(=O)CN(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)Cc1cn(c2c1cccc2)C)CCC(=O)N)CC(=O)O)Cc1c[nH]c2c1cccc2)C)C(=O)N([C@@H]([C@H](CC)C)C(=O)N)C)NC(=O)[C@@H](Cc1ccc(cc1)O)N)C" . "CC[C@H](C)[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)Cc1cn(c2ccccc12)C)CCC(=O)N)CC(=O)O)Cc1c[nH]c2ccccc12)C)C)Cc1cnc[nH]1)CCCNC(=N)N)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N)NC(=O)[C@@H](Cc1ccc(cc1)O)N" . "MUSGYEMSJUFFHT-UWABRSFTSA-N" . "InChI=1S/C83H117N23O18S2/c1-11-43(5)68(103-72(114)53(84)30-46-23-25-50(107)26-24-46)80(122)100-61-39-125-126-40-62(82(124)106(10)69(70(86)112)44(6)12-2)101-73(115)55(21-17-29-90-83(87)88)94-76(118)58(33-49-36-89-41-92-49)96-71(113)45(7)93-65(109)38-105(9)81(123)60(31-47-35-91-54-20-15-13-18-51(47)54)99-77(119)59(34-66(110)111)97-74(116)56(27-28-64(85)108)95-75(117)57(98-79(121)67(42(3)4)102-78(61)120)32-48-37-104(8)63-22-16-14-19-52(48)63/h13-16,18-20,22-26,35-37,41-45,53,55-62,67-69,91,107H,11-12,17,21,27-34,38-40,84H2,1-10H3,(H2,85,108)(H2,86,112)(H,89,92)(H,93,109)(H,94,118)(H,95,117)(H,96,113)(H,97,116)(H,98,121)(H,99,119)(H,100,122)(H,101,115)(H,102,120)(H,103,114)(H,110,111)(H4,87,88,90)/t43-,44-,45-,53+,55-,56-,57-,58-,59-,60-,61-,62-,67-,68-,69-/m0/s1" . "CCCc1c([nH]n(c1=O)c1ccccn1)c1ccccc1" . "CCCc1c([nH]n(c1=O)c1ccccn1)c1ccccc1" . "GIWZEELPLKPYBA-UHFFFAOYSA-N" . "InChI=1S/C17H17N3O/c1-2-8-14-16(13-9-4-3-5-10-13)19-20(17(14)21)15-11-6-7-12-18-15/h3-7,9-12,19H,2,8H2,1H3" . "OC(=O)c1ccc(cc1)CN1C[C@@H]2C[C@H]1CN2Cc1ccc(cc1)Oc1ccc(cc1)c1ncco1" . "C1[C@H]2CN([C@@H]1CN2Cc1ccc(cc1)Oc1ccc(cc1)c1ncco1)Cc1ccc(cc1)C(=O)O" . "GERJIEKMNDGSCS-DQEYMECFSA-N" . "InChI=1S/C29H27N3O4/c33-29(34)23-5-1-20(2-6-23)16-31-18-25-15-24(31)19-32(25)17-21-3-9-26(10-4-21)36-27-11-7-22(8-12-27)28-30-13-14-35-28/h1-14,24-25H,15-19H2,(H,33,34)/t24-,25-/m0/s1" . "C=CC(=O)N1CCC(CC1)(F)CNc1ncnc(c1c1ccc(cc1)Oc1ccccc1)N" . "C=CC(=O)N1CCC(CC1)(CNc1ncnc(c1c1ccc(cc1)Oc1ccccc1)N)F" . "OXOXFDSEGFLWLU-UHFFFAOYSA-N" . "InChI=1S/C25H26FN5O2/c1-2-21(32)31-14-12-25(26,13-15-31)16-28-24-22(23(27)29-17-30-24)18-8-10-20(11-9-18)33-19-6-4-3-5-7-19/h2-11,17H,1,12-16H2,(H3,27,28,29,30)" . "OC[C@@H]1CCCN1Cc1ccc(cc1)COc1cc(C)c(c(c1)CS(=O)(=O)c1ccccc1)Br" . "Cc1cc(OCc2ccc(CN3CCC[C@H]3CO)cc2)cc(CS(=O)(=O)c2ccccc2)c1Br" . "HHZHOYGIUZUEII-DEOSSOPVSA-N" . "InChI=1S/C27H30BrNO4S/c1-20-14-25(15-23(27(20)28)19-34(31,32)26-7-3-2-4-8-26)33-18-22-11-9-21(10-12-22)16-29-13-5-6-24(29)17-30/h2-4,7-12,14-15,24,30H,5-6,13,16-19H2,1H3/t24-/m0/s1" . "OC(=O)CNC(=O)c1ncc(cc1O)c1cccc(c1)Cl" . "c1cc(cc(c1)Cl)c1cc(c(nc1)C(=O)NCC(=O)O)O" . "JGRXMPYUTJLTKT-UHFFFAOYSA-N" . "InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)" . "O=C(CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)NCC1CCC(CC1)C(=O)N[C@H](C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@H](C(=O)O)CCC(=O)O)Cc1ccc2c(c1)cccc2" . "C1CC(CCC1CNC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@@H](Cc1cc2ccccc2cc1)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O" . "JBHPLHATEXGMQR-VLOIPPKDSA-N" . "InChI=1S/C49H71N9O16/c59-40(28-55-17-19-56(29-42(62)63)21-23-58(31-44(66)67)24-22-57(20-18-55)30-43(64)65)51-27-32-8-12-35(13-9-32)45(68)52-39(26-33-10-11-34-5-1-2-6-36(34)25-33)46(69)50-16-4-3-7-37(47(70)71)53-49(74)54-38(48(72)73)14-15-41(60)61/h1-2,5-6,10-11,25,32,35,37-39H,3-4,7-9,12-24,26-31H2,(H,50,69)(H,51,59)(H,52,68)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,70,71)(H,72,73)(H2,53,54,74)/t32?,35?,37-,38-,39-/m0/s1" . "OC(=O)[C@H](CCSC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(c2c1ncnc2N)C#Cc1cnc2c(c1)cccc2)N" . "Nc1c2c(ncn1)n(cc2C#Cc1cnc2ccccc2c1)[C@H]1[C@@H]([C@@H]([C@H](O1)CSCC[C@H](N)C(=O)O)O)O" . "SPMFBZXXQBXKFX-LUOSIZPJSA-N" . "InChI=1S/C26H26N6O5S/c27-17(26(35)36)7-8-38-12-19-21(33)22(34)25(37-19)32-11-16(20-23(28)30-13-31-24(20)32)6-5-14-9-15-3-1-2-4-18(15)29-10-14/h1-4,9-11,13,17,19,21-22,25,33-34H,7-8,12,27H2,(H,35,36)(H2,28,30,31)/t17-,19+,21+,22+,25+/m0/s1" . "CCOc1cc(ccc1Nc1ncc2c(n1)n(c1ccccc1c(=O)n2C)S(=O)(=O)C)C(=O)N1CCC(CC1)N1CCN(CC1)C" . "C(C)Oc1c(ccc(c1)C(=O)N1CCC(CC1)N1CCN(CC1)C)Nc1ncc2n(c(=O)c3c(n(c2n1)S(=O)(=O)C)cccc3)C" . "HTFNVAVTYILUCF-UHFFFAOYSA-N" . "InChI=1S/C32H40N8O5S/c1-5-45-28-20-22(30(41)39-14-12-23(13-15-39)38-18-16-36(2)17-19-38)10-11-25(28)34-32-33-21-27-29(35-32)40(46(4,43)44)26-9-7-6-8-24(26)31(42)37(27)3/h6-11,20-21,23H,5,12-19H2,1-4H3,(H,33,34,35)" . "N#Cc1c(sc2c1CCN(C2)C(=O)Nc1ccc(cc1)OC)NC(=O)c1cnn(c1)C" . "O=C(c1cn(C)nc1)Nc1c(C#N)c2c(s1)CN(C(=O)Nc1ccc(OC)cc1)CC2" . "WVYHDFDOBCBKGI-UHFFFAOYSA-N" . "InChI=1S/C21H20N6O3S/c1-26-11-13(10-23-26)19(28)25-20-17(9-22)16-7-8-27(12-18(16)31-20)21(29)24-14-3-5-15(30-2)6-4-14/h3-6,10-11H,7-8,12H2,1-2H3,(H,24,29)(H,25,28)" . "OC(=O)c1nn(Cc2ccc(c(c2)Cl)Cl)c(=O)c2c1ccc(c2)Oc1ccccc1" . "Clc1cc(Cn2nc(c3ccc(cc3c2=O)Oc2ccccc2)C(=O)O)ccc1Cl" . "IQKNCBUBONVBNJ-UHFFFAOYSA-N" . "InChI=1S/C22H14Cl2N2O4/c23-18-9-6-13(10-19(18)24)12-26-21(27)17-11-15(30-14-4-2-1-3-5-14)7-8-16(17)20(25-26)22(28)29/h1-11H,12H2,(H,28,29)" . "Nc1[nH]c(=O)c2c(n1)n(cn2)[C@@H]1O[C@H]2[C@H]([C@H]1O[P@](=O)(S)OC[C@@H]1[C@@H](O[P@@](=O)(OC2)S)[C@@H]([C@@H](O1)n1cnc2c1ncnc2N)F)F" . "Nc1ncnc2c1ncn2[C@H]1[C@@H](F)[C@@H]2O[P@](=O)(S)OC[C@@H]3[C@H]([C@@H](O[P@@](=O)(OC[C@H]2O1)S)[C@@H](O3)n1c2nc(N)[nH]c(=O)c2nc1)F" . "YSUIQYOGTINQIN-CLMXYZJCSA-N" . "InChI=1S/C20H22F2N10O9P2S2/c21-8-6-1-36-42(34,44)40-12-7(39-18(9(12)22)31-4-27-10-14(23)25-3-26-15(10)31)2-37-43(35,45)41-13(8)19(38-6)32-5-28-11-16(32)29-20(24)30-17(11)33/h3-9,12-13,18-19H,1-2H2,(H,34,44)(H,35,45)(H2,23,25,26)(H3,24,29,30,33)/t6-,7-,8-,9+,12-,13-,18-,19-,42-,43-/m1/s1" . "CCN(S(=O)(=O)c1ccc(c(c1)C#N)OC)C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N" . "O[C@@H]1[C@H](O)[C@@H](CN(CC)S(=O)(=O)c2ccc(OC)c(C#N)c2)O[C@H]1n1cnc2c1ncnc2N" . "ZHVNWPYRBLBLOS-WVSUBDOOSA-N" . "InChI=1S/C20H23N7O6S/c1-3-26(34(30,31)12-4-5-13(32-2)11(6-12)7-21)8-14-16(28)17(29)20(33-14)27-10-25-15-18(22)23-9-24-19(15)27/h4-6,9-10,14,16-17,20,28-29H,3,8H2,1-2H3,(H2,22,23,24)/t14-,16-,17-,20-/m1/s1" . "O=CCc1c[nH]c2c1cc(O)cc2" . "O=CCc1c[nH]c2c1cc(O)cc2" . "OBFAPCIUSYHFIE-UHFFFAOYSA-N" . "InChI=1S/C10H9NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,4-6,11,13H,3H2" . "Cc1cnc(s1)c1cc(O[C@@H]2CCOC2)cc(c1)C(=O)N[C@@H](c1cnc(nc1)C(F)(F)F)C" . "Cc1cnc(s1)c1cc(cc(c1)O[C@@H]1CCOC1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F" . "GTQPEQGDLVSFJO-CXAGYDPISA-N" . "InChI=1S/C22H21F3N4O3S/c1-12-8-26-20(33-12)15-5-14(6-18(7-15)32-17-3-4-31-11-17)19(30)29-13(2)16-9-27-21(28-10-16)22(23,24)25/h5-10,13,17H,3-4,11H2,1-2H3,(H,29,30)/t13-,17-/m1/s1" . "CC(CCN[C@@H]1CCc2c(C1)c(F)c(c(c2)O)N1CC(=O)NS1(=O)=O)C" . "CC(C)CCN[C@@H]1CCc2c(C1)c(F)c(N1CC(=O)NS1(=O)=O)c(O)c2" . "DVFCRTGTEXUFIN-GFCCVEGCSA-N" . "InChI=1S/C17H24FN3O4S/c1-10(2)5-6-19-12-4-3-11-7-14(22)17(16(18)13(11)8-12)21-9-15(23)20-26(21,24)25/h7,10,12,19,22H,3-6,8-9H2,1-2H3,(H,20,23)/t12-/m1/s1" . "COC[C@@H](C(=O)Nc1scc(n1)c1cccc(n1)N1C[C@H](C)O[C@@H](C1)C)NC(=O)c1ccn(c1)S(=O)(=O)C" . "COC[C@H](NC(=O)c1cn(cc1)S(=O)(=O)C)C(=O)Nc1nc(cs1)c1cccc(n1)N1C[C@H](C)O[C@H](C)C1" . "JBLQNFBXKOAIHG-FCEWJHQRSA-N" . "InChI=1S/C24H30N6O6S2/c1-15-10-29(11-16(2)36-15)21-7-5-6-18(25-21)20-14-37-24(27-20)28-23(32)19(13-35-3)26-22(31)17-8-9-30(12-17)38(4,33)34/h5-9,12,14-16,19H,10-11,13H2,1-4H3,(H,26,31)(H,27,28,32)/t15-,16+,19-/m0/s1" . "N#Cc1cccc(c1C)[C@H](Nc1nnc(c2c1cc(nc2)N1CCOCC1)C)C" . "C[C@@H](Nc1nnc(C)c2c1cc(nc2)N1CCOCC1)c1cccc(C#N)c1C" . "ILPWEAHQRAWJIU-OAHLLOKOSA-N" . "InChI=1S/C22H24N6O/c1-14-17(12-23)5-4-6-18(14)15(2)25-22-19-11-21(28-7-9-29-10-8-28)24-13-20(19)16(3)26-27-22/h4-6,11,13,15H,7-10H2,1-3H3,(H,25,27)/t15-/m1/s1" . "COc1cc(cc(c1CN1CC[C@@H](C(C1)(F)F)N1CCN(CC1)c1ccc(cc1F)N[C@@H]1CCC(=O)NC1=O)OC)c1cn(C)c(=O)c(c1C)C" . "Cc1c(c(=O)n(cc1c1cc(c(c(c1)OC)CN1CC[C@@H](C(C1)(F)F)N1CCN(CC1)c1c(cc(cc1)N[C@@H]1CCC(=O)NC1=O)F)OC)C)C" . "GNRGNRCQXHMQQV-CPBHLAHYSA-N" . "InChI=1S/C37H45F3N6O5/c1-22-23(2)36(49)43(3)19-26(22)24-16-31(50-4)27(32(17-24)51-5)20-44-11-10-33(37(39,40)21-44)46-14-12-45(13-15-46)30-8-6-25(18-28(30)38)41-29-7-9-34(47)42-35(29)48/h6,8,16-19,29,33,41H,7,9-15,20-21H2,1-5H3,(H,42,47,48)/t29-,33+/m1/s1" . "C=CC(=O)N1CCN([C@H](C1)C)c1nc(OC[C@@H]2CCCN2C)nc2c1cc(Cl)c(c2F)c1nc(N)cc(c1C(F)(F)F)C" . "C[C@H]1CN(CCN1c1c2cc(Cl)c(c(F)c2nc(OC[C@@H]2CCCN2C)n1)c1c(c(C)cc(N)n1)C(F)(F)F)C(=O)C=C" . "ZRBPIAWWRPFDPY-IRXDYDNUSA-N" . "InChI=1S/C29H32ClF4N7O2/c1-5-21(42)40-9-10-41(16(3)13-40)27-18-12-19(30)22(26-23(29(32,33)34)15(2)11-20(35)36-26)24(31)25(18)37-28(38-27)43-14-17-7-6-8-39(17)4/h5,11-12,16-17H,1,6-10,13-14H2,2-4H3,(H2,35,36)/t16-,17-/m0/s1" . "CC(=O)N1CCN(CC1)[C@H]1CCC[C@H](C1)NC(=O)c1[nH]c2c(c1)c(C)ccc2F" . "CC(=O)N1CCN(CC1)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c([nH]1)c(F)ccc2C" . "ZGFOQXUCQAEQHH-SJORKVTESA-N" . "InChI=1S/C22H29FN4O2/c1-14-6-7-19(23)21-18(14)13-20(25-21)22(29)24-16-4-3-5-17(12-16)27-10-8-26(9-11-27)15(2)28/h6-7,13,16-17,25H,3-5,8-12H2,1-2H3,(H,24,29)/t16-,17+/m1/s1" . "O=C1CC[C@@H](C(=O)N1)n1c2ccc(c3c2c(c1=O)ccc3)Cc1ccc(cc1)CN1CCOCC1" . "O=c1n([C@H]2CCC(=O)NC2=O)c2ccc(Cc3ccc(CN4CCOCC4)cc3)c3cccc1c23" . "MUKCJOOKCZSQNW-DEOSSOPVSA-N" . "InChI=1S/C28H27N3O4/c32-25-11-10-24(27(33)29-25)31-23-9-8-20(21-2-1-3-22(26(21)23)28(31)34)16-18-4-6-19(7-5-18)17-30-12-14-35-15-13-30/h1-9,24H,10-17H2,(H,29,32,33)/t24-/m0/s1" . "Fc1cc(F)c(c(c1)F)CNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)C2(C)C" . "Clc1c(CN2C(=O)C(c3ccc(cc23)C(=O)NCc2c(cc(cc2F)F)F)(C)C)c(ccc1)F" . "OEBVYNULNKSONR-UHFFFAOYSA-N" . "InChI=1S/C25H19ClF4N2O2/c1-25(2)17-7-6-13(23(33)31-11-15-20(29)9-14(27)10-21(15)30)8-22(17)32(24(25)34)12-16-18(26)4-3-5-19(16)28/h3-10H,11-12H2,1-2H3,(H,31,33)" . "Fc1ccc2c(c1)onc2C1CCN(CC1)CCNc1cnn(c(=O)c1Cl)C" . "Cn1c(=O)c(c(cn1)NCCN1CCC(CC1)c1noc2c1ccc(c2)F)Cl" . "BQNLTXZVZWVEDX-UHFFFAOYSA-N" . "InChI=1S/C19H21ClFN5O2/c1-25-19(27)17(20)15(11-23-25)22-6-9-26-7-4-12(5-8-26)18-14-3-2-13(21)10-16(14)28-24-18/h2-3,10-12,22H,4-9H2,1H3" . "CC(C[C@@](COc1ccc(nc1C(F)F)c1ccnc(c1)C(F)F)(N)C)C" . "CC(C)C[C@](C)(N)COc1c(nc(cc1)c1ccnc(c1)C(F)F)C(F)F" . "RKAHOQATMSONTM-IBGZPJMESA-N" . "InChI=1S/C19H23F4N3O/c1-11(2)9-19(3,24)10-27-15-5-4-13(26-16(15)18(22)23)12-6-7-25-14(8-12)17(20)21/h4-8,11,17-18H,9-10,24H2,1-3H3/t19-/m0/s1" . "COc1c(O)cc(c2c1n(C)c1c(c2=O)cccc1O)O" . "COc1c(O)cc(c2c1n(C)c1c(c2=O)cccc1O)O" . "QEGXAAUCDUFHPJ-UHFFFAOYSA-N" . "InChI=1S/C15H13NO5/c1-16-12-7(4-3-5-8(12)17)14(20)11-9(18)6-10(19)15(21-2)13(11)16/h3-6,17-19H,1-2H3" . "NC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)c1nc2c(s1)cccc2)CCCN=C(N)N)Cc1ccccc1)NS(=O)(=O)C" . "CS(=O)(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2s1" . "JTHVOFMYRRNGPA-ACRUOGEOSA-N" . "InChI=1S/C28H36N8O6S2/c1-44(41,42)36-20(13-14-23(29)37)25(39)34-21(16-17-8-3-2-4-9-17)26(40)33-19(11-7-15-32-28(30)31)24(38)27-35-18-10-5-6-12-22(18)43-27/h2-6,8-10,12,19-21,36H,7,11,13-16H2,1H3,(H2,29,37)(H,33,40)(H,34,39)(H4,30,31,32)/t19-,20-,21-/m0/s1" . "Cc1ccc(cc1)C1=CCC(c2c1cc(cc2)C(=O)Nc1ccc(cc1)C(=O)O)(C)C" . "Cc1ccc(cc1)C1=CCC(C)(C)c2c1cc(cc2)C(=O)Nc1ccc(cc1)C(=O)O" . "WSQCBOJFDSJLNS-UHFFFAOYSA-N" . "InChI=1S/C27H25NO3/c1-17-4-6-18(7-5-17)22-14-15-27(2,3)24-13-10-20(16-23(22)24)25(29)28-21-11-8-19(9-12-21)26(30)31/h4-14,16H,15H2,1-3H3,(H,28,29)(H,30,31)" . "Cc1ccc(cc1)C1=CC(C)(C)Oc2c1cc(cc2)c1ccc([nH]1)c1ccc(cc1)C(=O)[O-]" . "Cc1ccc(cc1)C1=CC(C)(C)Oc2c1cc(cc2)c1ccc([nH]1)c1ccc(cc1)C(=O)[O-]" . "QLXSCDXZOYRDAX-UHFFFAOYSA-M" . "InChI=1S/C29H25NO3/c1-18-4-6-19(7-5-18)24-17-29(2,3)33-27-15-12-22(16-23(24)27)26-14-13-25(30-26)20-8-10-21(11-9-20)28(31)32/h4-17,30H,1-3H3,(H,31,32)/p-1" . "CC(=O)Nc1nc(c(s1)CN1CC[C@@H](C[C@@H]1C)OCc1noc(n1)C)F" . "C[C@H]1C[C@H](CCN1Cc1c(F)nc(NC(=O)C)s1)OCc1noc(C)n1" . "FRVXHWNHGWUTQO-CABZTGNLSA-N" . "InChI=1S/C16H22FN5O3S/c1-9-6-12(24-8-14-19-11(3)25-21-14)4-5-22(9)7-13-15(17)20-16(26-13)18-10(2)23/h9,12H,4-8H2,1-3H3,(H,18,20,23)/t9-,12-/m0/s1" . "F[C@@H](C(=O)N(NC(=O)[C@H](CC1(C)CC1)NC(=O)c1noc(c1)C(F)F)C[C@@H]1CCNC1=O)Cl" . "CC1(C[C@H](NC(=O)c2noc(c2)C(F)F)C(=O)NN(C[C@@H]2CCNC2=O)C(=O)[C@H](F)Cl)CC1" . "HZFDKBPTVOENNB-GAFUQQFSSA-N" . "InChI=1S/C19H23ClF3N5O5/c1-19(3-4-19)7-11(25-16(30)10-6-12(14(22)23)33-27-10)17(31)26-28(18(32)13(20)21)8-9-2-5-24-15(9)29/h6,9,11,13-14H,2-5,7-8H2,1H3,(H,24,29)(H,25,30)(H,26,31)/t9-,11-,13-/m0/s1" . "OC(=O)COc1cc(ccc1c1ncco1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)OC(C)C" . "CC(C)Oc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1cc(c(cc1)c1ncco1)OCC(=O)O" . "ZMZNWNTZRWXTJU-UHFFFAOYSA-N" . "InChI=1S/C24H27N3O7S/c1-17(2)34-19-4-6-20(7-5-19)35(30,31)27-12-10-26(11-13-27)18-3-8-21(24-25-9-14-32-24)22(15-18)33-16-23(28)29/h3-9,14-15,17H,10-13,16H2,1-2H3,(H,28,29)" . "CCCOc1cc(ccc1OC)c1cncc(c1)[C@@H]1COB(C1)O" . "CCCOc1cc(ccc1OC)c1cncc(c1)[C@@H]1COB(O)C1" . "KXVKOYCGACSUPP-INIZCTEOSA-N" . "InChI=1S/C18H22BNO4/c1-3-6-23-18-8-13(4-5-17(18)22-2)14-7-15(11-20-10-14)16-9-19(21)24-12-16/h4-5,7-8,10-11,16,21H,3,6,9,12H2,1-2H3/t16-/m0/s1" . "OCCS(=O)(=O)Nc1ccc(c(c1)N1CCC2(CC1)CC2)C(=O)Nc1cc(C)nc(n1)N1CCC(CC1)(C)F" . "Cc1nc(nc(NC(=O)c2c(cc(NS(=O)(=O)CCO)cc2)N2CCC3(CC3)CC2)c1)N1CCC(C)(F)CC1" . "JFARSZKBZGPJGR-UHFFFAOYSA-N" . "InChI=1S/C27H37FN6O4S/c1-19-17-23(31-25(29-19)34-11-7-26(2,28)8-12-34)30-24(36)21-4-3-20(32-39(37,38)16-15-35)18-22(21)33-13-9-27(5-6-27)10-14-33/h3-4,17-18,32,35H,5-16H2,1-2H3,(H,29,30,31,36)" . "CO[C@@H]1CCN(C[C@@H]1F)c1nccc(n1)Nc1ncc2c(c1)c(ccc2N1C[C@@H]([C@H]1C)CS(=O)(=O)C)C(C)C" . "CO[C@@H]1CCN(C[C@@H]1F)c1nccc(Nc2ncc3c(ccc(C(C)C)c3c2)N2C[C@H](CS(=O)(=O)C)[C@H]2C)n1" . "LIMFPAAAIVQRRD-BCGVJQADSA-N" . "InChI=1S/C28H37FN6O3S/c1-17(2)20-6-7-24(35-14-19(18(35)3)16-39(5,36)37)22-13-31-27(12-21(20)22)32-26-8-10-30-28(33-26)34-11-9-25(38-4)23(29)15-34/h6-8,10,12-13,17-19,23,25H,9,11,14-16H2,1-5H3,(H,30,31,32,33)/t18-,19-,23+,25-/m1/s1" . "CNC(=O)c1ccc(c(n1)F)N1CCN(CC1)Cc1ccc2c(c1F)[nH]c(=O)c(n2)C" . "CNC(=O)c1nc(F)c(cc1)N1CCN(Cc2c(F)c3c(cc2)nc(C)c(=O)[nH]3)CC1" . "WXRCLFFPZXJCLS-UHFFFAOYSA-N" . "InChI=1S/C21H22F2N6O2/c1-12-20(30)27-18-14(25-12)4-3-13(17(18)22)11-28-7-9-29(10-8-28)16-6-5-15(21(31)24-2)26-19(16)23/h3-6H,7-11H2,1-2H3,(H,24,31)(H,27,30)" . "ONC(=O)c1cnc(nc1)N1CCC2(C1)CN(C2)Cc1cn(c2c1ccc(c2)C#N)C" . "ONC(=O)c1cnc(N2CC3(CN(Cc4cn(C)c5c4ccc(C#N)c5)C3)CC2)nc1" . "WBVFFDSDELAGSY-UHFFFAOYSA-N" . "InChI=1S/C22H23N7O2/c1-27-10-17(18-3-2-15(7-23)6-19(18)27)11-28-12-22(13-28)4-5-29(14-22)21-24-8-16(9-25-21)20(30)26-31/h2-3,6,8-10,31H,4-5,11-14H2,1H3,(H,26,30)" . "C[C@@H]1OCC[C@@H](C1)N1C(=O)C[C@@](N=C1N)(C)c1cccc(c1Cl)NC(=O)C12CC3(F)CC(C2)(CC(C1)(C3)F)F" . "C(=O)(Nc1c(Cl)c(ccc1)[C@]1(C)CC(=O)N(C(=N1)N)[C@@H]1C[C@H](C)OCC1)C12CC3(F)CC(F)(C1)CC(F)(C2)C3" . "ZLWNVCRHCYIPOK-VOMOGABFSA-N" . "InChI=1S/C28H34ClF3N4O3/c1-16-8-17(6-7-39-16)36-20(37)9-24(2,35-23(36)33)18-4-3-5-19(21(18)29)34-22(38)25-10-26(30)13-27(31,11-25)15-28(32,12-25)14-26/h3-5,16-17H,6-15H2,1-2H3,(H2,33,35)(H,34,38)/t16-,17-,24-,25?,26?,27?,28?/m0/s1" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1[nH]cnc1)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)CNC)CCCN=C(N)N)Cc1ccc(cc1)O" . "CC(C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC" . "BMVQKFSALBOKAG-YYTVJKPMSA-N" . "InChI=1S/C40H64N14O8/c1-23(2)33(53-36(59)27(49-32(56)21-45-3)9-6-16-47-40(43)44)38(61)51-29(18-24-11-13-26(55)14-12-24)37(60)50-28(8-4-5-15-41)35(58)52-30(19-25-20-46-22-48-25)39(62)54-17-7-10-31(54)34(42)57/h11-14,20,22-23,27-31,33,45,55H,4-10,15-19,21,41H2,1-3H3,(H2,42,57)(H,46,48)(H,49,56)(H,50,60)(H,51,61)(H,52,58)(H,53,59)(H4,43,44,47)/t27-,28-,29-,30-,31-,33-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)C)Cc1[nH]cnc1)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)CNC)CCCN=C(N)N)Cc1ccc(cc1)O" . "CC(C)C(C(=O)NC(Cc1ccc(cc1)O)C(=O)NC(CCCCN)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(C)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)CNC" . "QDAXGBOWJLPIHQ-UHFFFAOYSA-N" . "InChI=1S/C43H68N14O10/c1-24(2)35(56-37(61)29(52-34(59)22-47-4)10-7-17-49-43(45)46)40(64)54-31(19-26-12-14-28(58)15-13-26)38(62)53-30(9-5-6-16-44)36(60)55-32(20-27-21-48-23-50-27)41(65)57-18-8-11-33(57)39(63)51-25(3)42(66)67/h12-15,21,23-25,29-33,35,47,58H,5-11,16-20,22,44H2,1-4H3,(H,48,50)(H,51,63)(H,52,59)(H,53,62)(H,54,64)(H,55,60)(H,56,61)(H,66,67)(H4,45,46,49)" . "CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@](C2)(C)O" . "CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CC[C@@H]2[C@@]1(CC[C@@](C2)(C)O)C)C" . "PGTVWKLGGCQMBR-FLBATMFCSA-N" . "InChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3/t15-,16-,17+,18-,19-,20+,21-,22+/m0/s1" . "COc1cc2ncnc(c2cc1OCCCNC(=O)CCCCCN(CCOc1ccc(cc1)/C(=C(/c1ccccc1)/CC)/c1ccc(cc1)O)C)Nc1ccc(c(c1)Cl)F" . "Clc1cc(Nc2c3c(cc(c(OCCCNC(=O)CCCCCN(C)CCOc4ccc(/C(=C(/c5ccccc5)/CC)/c5ccc(O)cc5)cc4)c3)OC)ncn2)ccc1F" . "RMOTTYOBLRRJDT-XXBDBSAUSA-N" . "InChI=1S/C49H53ClFN5O5/c1-4-40(34-12-7-5-8-13-34)48(35-15-20-38(57)21-16-35)36-17-22-39(23-18-36)60-29-27-56(2)26-10-6-9-14-47(58)52-25-11-28-61-46-31-41-44(32-45(46)59-3)53-33-54-49(41)55-37-19-24-43(51)42(50)30-37/h5,7-8,12-13,15-24,30-33,57H,4,6,9-11,14,25-29H2,1-3H3,(H,52,58)(H,53,54,55)/b48-40-" . "OCC(=O)N1CC[C@@H]([C@H](C1)F)n1c(C)nc2c1c1cc(c(cc1nc2)F)c1ccc(cc1Cl)Oc1ncccn1" . "Cc1nc2cnc3cc(c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)c1ccc(cc1Cl)Oc1ncccn1)F" . "WZZBNLYBHUDSHF-DHLKQENFSA-N" . "InChI=1S/C28H23ClF2N6O3/c1-15-35-24-12-34-23-11-21(30)18(17-4-3-16(9-20(17)29)40-28-32-6-2-7-33-28)10-19(23)27(24)37(15)25-5-8-36(13-22(25)31)26(39)14-38/h2-4,6-7,9-12,22,25,38H,5,8,13-14H2,1H3/t22-,25-/m0/s1" . "O=C1N[C@H](C(C)C)[C@@H]2N([C@H]1Cc1c2cccc1)C(=O)c1cc(NC2CCN(CC2)CC(F)(C)C)c2n(n1)c(C)nn2" . "Cc1nnc2n1nc(cc2NC1CCN(CC1)CC(C)(C)F)C(=O)N1[C@H]2Cc3ccccc3[C@@H]1[C@H](NC2=O)C(C)C" . "NGXAMXNWIHBLBN-JIMJEQGWSA-N" . "InChI=1S/C30H39FN8O2/c1-17(2)25-26-21-9-7-6-8-19(21)14-24(28(40)33-25)38(26)29(41)23-15-22(27-35-34-18(3)39(27)36-23)32-20-10-12-37(13-11-20)16-30(4,5)31/h6-9,15,17,20,24-26,32H,10-14,16H2,1-5H3,(H,33,40)/t24-,25+,26+/m0/s1" . "OC[C@H]1Cc2c([C@@H](N1C(=O)Cc1c(Cl)cccc1Cl)C)cccc2c1cnn(c1)C" . "C[C@H]1c2cccc(c3cn(C)nc3)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl" . "MJDOWJUPBHLXIH-GOEBONIOSA-N" . "InChI=1S/C23H23Cl2N3O2/c1-14-17-5-3-6-18(15-11-26-27(2)12-15)19(17)9-16(13-29)28(14)23(30)10-20-21(24)7-4-8-22(20)25/h3-8,11-12,14,16,29H,9-10,13H2,1-2H3/t14-,16+/m0/s1" . "CNCCc1ccccn1" . "CNCCc1ccccn1" . "UUQMNUMQCIQDMZ-UHFFFAOYSA-N" . "InChI=1S/C8H12N2/c1-9-7-5-8-4-2-3-6-10-8/h2-4,6,9H,5,7H2,1H3" . "Cc1ccc(c(c1)c1ccc(cc1)[C@H](N(c1sc(c(n1)C(=O)NS(=O)(=O)C1CC1)C1CC1)CC1CC1)C)c1[nH]oc(=O)n1" . "C[C@@H](N(CC1CC1)c1nc(C(=O)NS(=O)(=O)C2CC2)c(s1)C1CC1)c1ccc(cc1)c1cc(C)ccc1c1nc(=O)o[nH]1" . "FQGLCYYIHLNVRG-GOSISDBHSA-N" . "InChI=1S/C31H33N5O5S2/c1-17-3-14-24(28-33-31(38)41-34-28)25(15-17)21-8-6-20(7-9-21)18(2)36(16-19-4-5-19)30-32-26(27(42-30)22-10-11-22)29(37)35-43(39,40)23-12-13-23/h3,6-9,14-15,18-19,22-23H,4-5,10-13,16H2,1-2H3,(H,35,37)(H,33,34,38)/t18-/m1/s1" . "O=C(c1ccnn(c1=O)c1ccccc1OCC(F)(F)F)Nc1ccc(cc1)C(O)(C)C" . "CC(C)(O)c1ccc(NC(=O)c2ccnn(c2=O)c2c(OCC(F)(F)F)cccc2)cc1" . "CQAPXPSWLDAVEG-UHFFFAOYSA-N" . "InChI=1S/C22H20F3N3O4/c1-21(2,31)14-7-9-15(10-8-14)27-19(29)16-11-12-26-28(20(16)30)17-5-3-4-6-18(17)32-13-22(23,24)25/h3-12,31H,13H2,1-2H3,(H,27,29)" . "OCCn1ncc(c1)Nc1ncc(cn1)OCc1c(F)c(OC)cc(c1F)OC" . "COc1cc(c(c(c1F)COc1cnc(nc1)Nc1cn(nc1)CCO)F)OC" . "VDZZYOJYLLNBTD-UHFFFAOYSA-N" . "InChI=1S/C18H19F2N5O4/c1-27-14-5-15(28-2)17(20)13(16(14)19)10-29-12-7-21-18(22-8-12)24-11-6-23-25(9-11)3-4-26/h5-9,26H,3-4,10H2,1-2H3,(H,21,22,24)" . "COc1cc(F)ccc1c1ncnc(n1)Nc1cccc(c1)C[S@@](=O)(=N)C" . "COc1c(ccc(c1)F)c1nc(ncn1)Nc1cccc(c1)C[S@](=N)(=O)C" . "ACWKGTGIJRCOOM-HHHXNRCGSA-N" . "InChI=1S/C18H18FN5O2S/c1-26-16-9-13(19)6-7-15(16)17-21-11-22-18(24-17)23-14-5-3-4-12(8-14)10-27(2,20)25/h3-9,11,20H,10H2,1-2H3,(H,21,22,23,24)/t27-/m1/s1" . "CCOP(=O)(Cn1ccc(n1)NC(=O)c1cc(cc(c1)OC(C)C)Oc1cnc(cn1)C(=O)N1CCC1)OCC" . "O=C(Nc1nn(CP(=O)(OCC)OCC)cc1)c1cc(OC(C)C)cc(Oc2cnc(C(=O)N3CCC3)cn2)c1" . "OYUDYQMFVRHPIY-UHFFFAOYSA-N" . "InChI=1S/C26H33N6O7P/c1-5-36-40(35,37-6-2)17-32-11-8-23(30-32)29-25(33)19-12-20(38-18(3)4)14-21(13-19)39-24-16-27-22(15-28-24)26(34)31-9-7-10-31/h8,11-16,18H,5-7,9-10,17H2,1-4H3,(H,29,30,33)" . "OC(=O)C(c1ccc(c(c1)O)O)O" . "OC(=O)C(c1ccc(c(c1)O)O)O" . "RGHMISIYKIHAJW-UHFFFAOYSA-N" . "InChI=1S/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13)" . "CCCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)N(C(=O)c1ccccc1)Cc1ccco1" . "CCCc1nc2c(cc(cc2)N(Cc2ccco2)C(=O)c2ccccc2)c(=O)n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1" . "SYDVEZUPFQXMSM-UHFFFAOYSA-N" . "InChI=1S/C37H31N7O3/c1-2-9-34-38-33-20-19-28(43(24-29-12-8-21-47-29)36(45)27-10-4-3-5-11-27)22-32(33)37(46)44(34)23-25-15-17-26(18-16-25)30-13-6-7-14-31(30)35-39-41-42-40-35/h3-8,10-22H,2,9,23-24H2,1H3,(H,39,40,41,42)" . "CCc1nc2ccc(cc2c(=O)n1Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)N(C(=O)c1cccs1)Cc1ccccc1" . "CCc1nc2c(cc(cc2)N(Cc2ccccc2)C(=O)c2cccs2)c(=O)n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1" . "KDPHUUTUDFDLBT-UHFFFAOYSA-N" . "InChI=1S/C36H29N7O2S/c1-2-33-37-31-19-18-27(42(22-24-9-4-3-5-10-24)36(45)32-13-8-20-46-32)21-30(31)35(44)43(33)23-25-14-16-26(17-15-25)28-11-6-7-12-29(28)34-38-40-41-39-34/h3-21H,2,22-23H2,1H3,(H,38,39,40,41)" . "NCC1(O)CCN(CC1)c1nn2c(s1)ncc2c1ccc(nc1OC)C(C)C" . "COc1nc(ccc1c1cnc2sc(nn12)N1CCC(O)(CN)CC1)C(C)C" . "JYHSRMKXBAPFST-UHFFFAOYSA-N" . "InChI=1S/C19H26N6O2S/c1-12(2)14-5-4-13(16(22-14)27-3)15-10-21-17-25(15)23-18(28-17)24-8-6-19(26,11-20)7-9-24/h4-5,10,12,26H,6-9,11,20H2,1-3H3" . "N#Cc1cc(ccc1F)NC(=O)[C@@H]1[C@@H](c2ccc(nc2)OC2CC2)N(CC(F)(F)F)C(=O)c2c1cccc2" . "C1CC1Oc1ncc(cc1)[C@@H]1[C@H](c2ccccc2C(=O)N1CC(F)(F)F)C(=O)Nc1cc(c(cc1)F)C#N" . "KYICPNWURYGJCB-BJKOFHAPSA-N" . "InChI=1S/C27H20F4N4O3/c28-21-9-6-17(11-16(21)12-32)34-25(36)23-19-3-1-2-4-20(19)26(37)35(14-27(29,30)31)24(23)15-5-10-22(33-13-15)38-18-7-8-18/h1-6,9-11,13,18,23-24H,7-8,14H2,(H,34,36)/t23-,24+/m0/s1" . "C[C@H](c1ccccc1c1[n]cc2c(c1)n(c[n]2)[C@@H](c1c(Cl)ccc(c1Cl)C1CC1)C)C(=O)O" . "OC(=O)[C@@H](c1c(c2[n]cc3[n]cn(c3c2)[C@@H](c2c(c(C3CC3)ccc2Cl)Cl)C)cccc1)C" . "JPJWHCNGSBCZMI-HUUCEWRRSA-N" . "InChI=1S/C26H23Cl2N3O2/c1-14(26(32)33)17-5-3-4-6-19(17)21-11-23-22(12-29-21)30-13-31(23)15(2)24-20(27)10-9-18(25(24)28)16-7-8-16/h3-6,9-16H,7-8H2,1-2H3,(H,32,33)/t14-,15-/m1/s1" . "O=C(c1cc(c(nc1N)N)n1cnc(n1)C1(CC1)C(F)(F)F)NCc1ccc(cc1)OCC(F)(F)F" . "Nc1c(C(=O)NCc2ccc(cc2)OCC(F)(F)F)cc(c(n1)N)n1nc(nc1)C1(CC1)C(F)(F)F" . "FIWILGQIZHDAQG-UHFFFAOYSA-N" . "InChI=1S/C21H19F6N7O2/c22-20(23,24)9-36-12-3-1-11(2-4-12)8-30-17(35)13-7-14(16(29)32-15(13)28)34-10-31-18(33-34)19(5-6-19)21(25,26)27/h1-4,7,10H,5-6,8-9H2,(H,30,35)(H4,28,29,32)" . "OC[C@H]1N[C@H]([C@@H]([C@@H]1O)O)c1c[nH]c2c1ncnc2N" . "c1c(c2c([nH]1)c(ncn2)N)[C@H]1[C@@H]([C@@H]([C@H](N1)CO)O)O" . "AMFDITJFBUXZQN-KUBHLMPHSA-N" . "InChI=1S/C11H15N5O3/c12-11-8-6(14-3-15-11)4(1-13-8)7-10(19)9(18)5(2-17)16-7/h1,3,5,7,9-10,13,16-19H,2H2,(H2,12,14,15)/t5-,7+,9-,10+/m1/s1" . "Oc1ccc(cc1)C1C2=C(CCCC2=O)Nc2n1nc(n2)c1ccccc1Cl" . "Clc1c(cccc1)c1nn2c(NC3=C(C(=O)CCC3)C2c2ccc(cc2)O)n1" . "USSMQJUVPNGHNK-UHFFFAOYSA-N" . "InChI=1S/C21H17ClN4O2/c22-15-5-2-1-4-14(15)20-24-21-23-16-6-3-7-17(28)18(16)19(26(21)25-20)12-8-10-13(27)11-9-12/h1-2,4-5,8-11,19,27H,3,6-7H2,(H,23,24,25)" . "OC(COc1ccc(c(c1)NS(=O)(=O)C)O)CNC(CCc1ccc(cc1)NS(=O)(=O)c1ccccc1)(C)C" . "CC(C)(CCc1ccc(NS(=O)(=O)c2ccccc2)cc1)NCC(O)COc1cc(NS(=O)(=O)C)c(O)cc1" . "CRHQDPKUNJKFEB-UHFFFAOYSA-N" . "InChI=1S/C27H35N3O7S2/c1-27(2,28-18-22(31)19-37-23-13-14-26(32)25(17-23)30-38(3,33)34)16-15-20-9-11-21(12-10-20)29-39(35,36)24-7-5-4-6-8-24/h4-14,17,22,28-32H,15-16,18-19H2,1-3H3" . "COC(=O)c1ccc(cc1)CCNC(=N)N/N=C/c1c[nH]c2c1cc(C#N)cc2C" . "C(#N)c1cc2c(c[nH]c2c(c1)C)/C=N/NC(=N)NCCc1ccc(C(=O)OC)cc1" . "XIVYUSRYHWXGLX-UVHMKAGCSA-N" . "InChI=1S/C22H22N6O2/c1-14-9-16(11-23)10-19-18(12-26-20(14)19)13-27-28-22(24)25-8-7-15-3-5-17(6-4-15)21(29)30-2/h3-6,9-10,12-13,26H,7-8H2,1-2H3,(H3,24,25,28)/b27-13+" . "OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1cc(Cc2ccc(cc2)C2CC2)c(c2c1CCO2)Cl" . "OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ccc(cc2)C2CC2)c(Cl)c2c1CCO2" . "KORCWPOBTZTAFI-YVTYUBGGSA-N" . "InChI=1S/C24H27ClO6/c25-19-15(9-12-1-3-13(4-2-12)14-5-6-14)10-17(16-7-8-30-23(16)19)24-22(29)21(28)20(27)18(11-26)31-24/h1-4,10,14,18,20-22,24,26-29H,5-9,11H2/t18-,20-,21+,22-,24+/m1/s1" . "C=CC(=O)N[C@H]1C=C(C)c2n(C1)c1ncnc(c1c2c1cnc2c(c1)cccc2)N" . "Nc1ncnc2c1c(c1C(=C[C@@H](Cn21)NC(=O)C=C)C)c1cnc2ccccc2c1" . "MKCYPWYURWOKST-INIZCTEOSA-N" . "InChI=1S/C23H20N6O/c1-3-18(30)28-16-8-13(2)21-19(15-9-14-6-4-5-7-17(14)25-10-15)20-22(24)26-12-27-23(20)29(21)11-16/h3-10,12,16H,1,11H2,2H3,(H,28,30)(H2,24,26,27)/t16-/m0/s1" . "O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2NCCC1CC2(C1)CN(C2)C[C@@H]1CC[C@H](CC1)c1sc2c(n1)cc(c(c2)NC(=O)c1cccc(n1)C(F)(F)F)C(O)(C)C" . "CC(C)(O)c1cc2c(sc(n2)[C@H]2CC[C@H](CN3CC4(CC(CCNc5c6C(=O)N(C7CCC(=O)NC7=O)C(=O)c6ccc5)C4)C3)CC2)cc1NC(=O)c1cccc(n1)C(F)(F)F" . "WDRJGMSUTPVXDH-KBOGUJPVSA-N" . "InChI=1S/C45H48F3N7O6S/c1-43(2,61)28-17-32-34(18-31(28)51-38(57)30-7-4-8-35(50-30)45(46,47)48)62-40(52-32)26-11-9-24(10-12-26)21-54-22-44(23-54)19-25(20-44)15-16-49-29-6-3-5-27-37(29)42(60)55(41(27)59)33-13-14-36(56)53-39(33)58/h3-8,17-18,24-26,33,49,61H,9-16,19-23H2,1-2H3,(H,51,57)(H,53,56,58)/t24-,26-,33?" . "O=C1NC2(C(=O)N1c1cncc3c1cccc3)CC(C2)c1ccccc1Cl" . "Clc1c(cccc1)C1CC2(C1)NC(=O)N(C2=O)c1c2ccccc2cnc1" . "XQFMLNUPNCXPRN-UHFFFAOYSA-N" . "InChI=1S/C21H16ClN3O2/c22-17-8-4-3-6-15(17)14-9-21(10-14)19(26)25(20(27)24-21)18-12-23-11-13-5-1-2-7-16(13)18/h1-8,11-12,14H,9-10H2,(H,24,27)" . "O=CCc1ccc(c(c1)O)O" . "O=CCc1ccc(c(c1)O)O" . "IADQVXRMSNIUEL-UHFFFAOYSA-N" . "InChI=1S/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2" . "OCc1cccc(c1)O[C@@H]1CC[C@H](CC1)C(=O)N(c1ccc(c(c1)C)CN1CCN[C@H](C1)C)C" . "C[C@H]1CN(Cc2ccc(cc2C)N(C)C(=O)[C@H]2CC[C@@H](CC2)Oc2cc(CO)ccc2)CCN1" . "XCVUPJBVKKACQB-KJOQGJGQSA-N" . "InChI=1S/C28H39N3O3/c1-20-15-25(10-7-24(20)18-31-14-13-29-21(2)17-31)30(3)28(33)23-8-11-26(12-9-23)34-27-6-4-5-22(16-27)19-32/h4-7,10,15-16,21,23,26,29,32H,8-9,11-14,17-19H2,1-3H3/t21-,23-,26-/m0/s1" . "O=C1OC[C@@H](C1)C(=O)N1CCC[C@@H](C1)OC(=O)c1ccc(cc1)O[C@H](c1ccc(cc1)C1CC1)[C@@H](NC(=O)[C@H]1CCCO1)C" . "C[C@H](NC(=O)[C@H]1CCCO1)[C@H](Oc1ccc(cc1)C(=O)O[C@H]1CCCN(C1)C(=O)[C@H]1COC(=O)C1)c1ccc(cc1)C1CC1" . "NADMBBGHEQYUMJ-WDXNIXBWSA-N" . "InChI=1S/C34H40N2O8/c1-21(35-32(38)29-5-3-17-41-29)31(24-10-8-23(9-11-24)22-6-7-22)43-27-14-12-25(13-15-27)34(40)44-28-4-2-16-36(19-28)33(39)26-18-30(37)42-20-26/h8-15,21-22,26,28-29,31H,2-7,16-20H2,1H3,(H,35,38)/t21-,26+,28-,29+,31-/m0/s1" . "OC(=O)Cc1c[nH]c2c1cc(O)cc2" . "c1cc2c(cc1O)c(c[nH]2)CC(=O)O" . "DUUGKQCEGZLZNO-UHFFFAOYSA-N" . "InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)" . "N#C[C@]1(O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O)c1ccc2n1ncnc2N" . "c1c2c(ncnn2c(c1)[C@]1([C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C#N)N" . "DFVPCNAMNAPBCX-LTGWCKQJSA-N" . "InChI=1S/C12H16N5O13P3/c13-4-12(8-2-1-6-11(14)15-5-16-17(6)8)10(19)9(18)7(28-12)3-27-32(23,24)30-33(25,26)29-31(20,21)22/h1-2,5,7,9-10,18-19H,3H2,(H,23,24)(H,25,26)(H2,14,15,16)(H2,20,21,22)/t7-,9-,10-,12+/m1/s1" . "CCn1c(CO)nn(c1=O)c1cc(O[C@H](C(F)(F)F)C)c(cc1F)C(=O)Nc1c(F)cccc1Cl" . "CCn1c(nn(c1=O)c1c(cc(c(c1)O[C@@H](C)C(F)(F)F)C(=O)Nc1c(cccc1Cl)F)F)CO" . "KNVJMHHAXCPZHF-JTQLQIEISA-N" . "InChI=1S/C21H18ClF5N4O4/c1-3-30-17(9-32)29-31(20(30)34)15-8-16(35-10(2)21(25,26)27)11(7-14(15)24)19(33)28-18-12(22)5-4-6-13(18)23/h4-8,10,32H,3,9H2,1-2H3,(H,28,33)/t10-/m0/s1" . "O1CCN(CC1)Cc1cccc(c1)Nc1ncc(c(n1)NCCc1c[nH]cn1)C1CC1" . "C(Cc1c[nH]cn1)Nc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1" . "HZHDCONQUBRRDH-UHFFFAOYSA-N" . "InChI=1S/C23H29N7O/c1-2-17(15-30-8-10-31-11-9-30)12-19(3-1)28-23-26-14-21(18-4-5-18)22(29-23)25-7-6-20-13-24-16-27-20/h1-3,12-14,16,18H,4-11,15H2,(H,24,27)(H2,25,26,28,29)" . "O=C(N1CCCC1)Nc1cccc(c1)Nc1ncc(c(n1)NCc1ccc(cc1)S(=O)(=O)N)Br" . "NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(NC(=O)N4CCCC4)c3)ncc2Br)cc1" . "OEZHSZIDGUKBRK-UHFFFAOYSA-N" . "InChI=1S/C22H24BrN7O3S/c23-19-14-26-21(29-20(19)25-13-15-6-8-18(9-7-15)34(24,32)33)27-16-4-3-5-17(12-16)28-22(31)30-10-1-2-11-30/h3-9,12,14H,1-2,10-11,13H2,(H,28,31)(H2,24,32,33)(H2,25,26,27,29)" . "O=C(C1CCC1)NCCCNc1nc(ncc1Br)Nc1cn(nc1C)CC(F)(F)F" . "Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCCCNC(=O)C2CCC2)n1" . "PJLYZTYJSMPZHT-UHFFFAOYSA-N" . "InChI=1S/C18H23BrF3N7O/c1-11-14(9-29(28-11)10-18(20,21)22)26-17-25-8-13(19)15(27-17)23-6-3-7-24-16(30)12-4-2-5-12/h8-9,12H,2-7,10H2,1H3,(H,24,30)(H2,23,25,26,27)" . "Brc1cnc(nc1NCc1ccc(cc1)S(=O)(=O)N)Nc1cccc(c1)CN1CCOCC1" . "NS(=O)(=O)c1ccc(CNc2nc(Nc3cccc(CN4CCOCC4)c3)ncc2Br)cc1" . "RDROKTFULACVDQ-UHFFFAOYSA-N" . "InChI=1S/C22H25BrN6O3S/c23-20-14-26-22(27-18-3-1-2-17(12-18)15-29-8-10-32-11-9-29)28-21(20)25-13-16-4-6-19(7-5-16)33(24,30)31/h1-7,12,14H,8-11,13,15H2,(H2,24,30,31)(H2,25,26,27,28)" . "N#C[C@@H](NC(=O)[C@@H](n1ccc(c(c1=O)NCC(F)(F)F)C)CC1CC1)C[C@@H]1CCNC1=O" . "Cc1c(NCC(F)(F)F)c(=O)n(cc1)[C@@H](CC1CC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N" . "SYZOFRXZMALRGI-JYJNAYRXSA-N" . "InChI=1S/C21H26F3N5O3/c1-12-5-7-29(20(32)17(12)27-11-21(22,23)24)16(8-13-2-3-13)19(31)28-15(10-25)9-14-4-6-26-18(14)30/h5,7,13-16,27H,2-4,6,8-9,11H2,1H3,(H,26,30)(H,28,31)/t14-,15-,16-/m0/s1" . "O[C@H]1CCN(C1)c1nc(nc2c1nnn2Cc1nnnn1C)C(C)(C)C" . "C(C)(C)(C)c1nc(c2c(n1)n(nn2)Cc1nnnn1C)N1C[C@H](CC1)O" . "MAYZWDRUFKUGGP-VIFPVBQESA-N" . "InChI=1S/C15H22N10O/c1-15(2,3)14-16-12(24-6-5-9(26)7-24)11-13(17-14)25(21-19-11)8-10-18-20-22-23(10)4/h9,26H,5-8H2,1-4H3/t9-/m0/s1" . "O=C(c1cc(cnc1N)c1ccc(cc1)[C@@]12CN(C[C@H]2C1)C1CCOCC1)NC12CCC(CC1)(CC2)O" . "Nc1ncc(cc1C(=O)NC12CCC(CC1)(CC2)O)c1ccc(cc1)[C@]12CN(C[C@H]1C2)C1CCOCC1" . "KPRPFTOLWQQUAV-OCVAFRRMSA-N" . "InChI=1S/C30H38N4O3/c31-26-25(27(35)33-28-7-10-29(36,11-8-28)12-9-28)15-21(17-32-26)20-1-3-22(4-2-20)30-16-23(30)18-34(19-30)24-5-13-37-14-6-24/h1-4,15,17,23-24,36H,5-14,16,18-19H2,(H2,31,32)(H,33,35)/t23-,28?,29?,30+/m1/s1" . "Clc1ccccc1c1nc2c(C)n[nH]c2[nH]c2c1cnc(c2)N1CCOCC1" . "Clc1c(cccc1)c1c2c([nH]c3c(n1)c(n[nH]3)C)cc(nc2)N1CCOCC1" . "DQFCVOOFMXEPOC-UHFFFAOYSA-N" . "InChI=1S/C20H19ClN6O/c1-12-18-20(26-25-12)23-16-10-17(27-6-8-28-9-7-27)22-11-14(16)19(24-18)13-4-2-3-5-15(13)21/h2-5,10-11H,6-9H2,1H3,(H2,23,25,26)" . "CS(=O)(=O)N1CCC(CC1)c1ccc(cc1)c1nc(NC[C@@H]2CNCCO2)c2c(c1)nccn2" . "CS(=O)(=O)N1CCC(CC1)c1ccc(cc1)c1cc2c(nccn2)c(n1)NC[C@@H]1CNCCO1" . "NJIAKNWTIVDSDA-FQEVSTJZSA-N" . "InChI=1S/C24H30N6O3S/c1-34(31,32)30-11-6-18(7-12-30)17-2-4-19(5-3-17)21-14-22-23(27-9-8-26-22)24(29-21)28-16-20-15-25-10-13-33-20/h2-5,8-9,14,18,20,25H,6-7,10-13,15-16H2,1H3,(H,28,29)/t20-/m0/s1" . "Cc1nc(N)nc(c1)c1nc(ccc1O)c1ccnc(c1F)N" . "Nc1nccc(c1F)c1nc(c(cc1)O)c1nc(nc(c1)C)N" . "UQHDKUFLWKTTDL-UHFFFAOYSA-N" . "InChI=1S/C15H13FN6O/c1-7-6-10(22-15(18)20-7)13-11(23)3-2-9(21-13)8-4-5-19-14(17)12(8)16/h2-6,23H,1H3,(H2,17,19)(H2,18,20,22)" . "OC(=O)/C=C/c1cccc2c1c(C)cn2C(=O)c1c(noc1C(F)(C)C)c1c(Cl)cc(cc1Cl)Cl" . "FC(C)(C)c1c(c(no1)c1c(cc(cc1Cl)Cl)Cl)C(=O)n1cc(c2c(cccc12)/C=C/C(=O)O)C" . "BOOMBLZEOHXPPX-BQYQJAHWSA-N" . "InChI=1S/C25H18Cl3FN2O4/c1-12-11-31(17-6-4-5-13(19(12)17)7-8-18(32)33)24(34)21-22(30-35-23(21)25(2,3)29)20-15(27)9-14(26)10-16(20)28/h4-11H,1-3H3,(H,32,33)/b8-7+" . "O=C(c1cnn(c1C(F)(F)F)c1cccc2c1cc[nH]c2=O)Nc1ccnc(c1)C(F)(F)F" . "O=c1[nH]ccc2c(cccc12)n1ncc(c1C(F)(F)F)C(=O)Nc1cc(ncc1)C(F)(F)F" . "APWRZPQBPCAXFP-UHFFFAOYSA-N" . "InChI=1S/C20H11F6N5O2/c21-19(22,23)15-8-10(4-6-27-15)30-18(33)13-9-29-31(16(13)20(24,25)26)14-3-1-2-12-11(14)5-7-28-17(12)32/h1-9H,(H,28,32)(H,27,30,33)" . "CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(C1)CCN(CC2)C[C@@H]1CC[C@H](CC1)NS(=O)(=O)CC)C(C)C" . "C(C)S(=O)(=O)N[C@@H]1CC[C@H](CC1)CN1CCC2(CN(C2)c2ncncc2Oc2c(C(=O)N(C(C)C)CC)cc(cc2)F)CC1" . "FRVSRBKUQZKTOW-YOCNBXQISA-N" . "InChI=1S/C32H47FN6O4S/c1-5-39(23(3)4)31(40)27-17-25(33)9-12-28(27)43-29-18-34-22-35-30(29)38-20-32(21-38)13-15-37(16-14-32)19-24-7-10-26(11-8-24)36-44(41,42)6-2/h9,12,17-18,22-24,26,36H,5-8,10-11,13-16,19-21H2,1-4H3/t24-,26-" . "N#CCC1(CN(C1)c1cc(F)c(cc1F)C(=O)N[C@H](C(F)(F)F)C)n1ncc(c1)c1c(C)n[nH]c1C" . "C(#N)CC1(CN(C1)c1cc(c(C(=O)N[C@H](C(F)(F)F)C)cc1F)F)n1ncc(c1)c1c(n[nH]c1C)C" . "MSGYSFWCPOBHEV-AWEZNQCLSA-N" . "InChI=1S/C23H22F5N7O/c1-12-20(13(2)33-32-12)15-8-30-35(9-15)22(4-5-29)10-34(11-22)19-7-17(24)16(6-18(19)25)21(36)31-14(3)23(26,27)28/h6-9,14H,4,10-11H2,1-3H3,(H,31,36)(H,32,33)/t14-/m0/s1" . "Fc1ccc(c(c1)[C@H]1CCCN1c1ccn2c(n1)c(cn2)n1ncc(c1)C(F)(F)F)F" . "Fc1c(cc(cc1)F)[C@@H]1N(CCC1)c1nc2n(cc1)ncc2n1ncc(c1)C(F)(F)F" . "FYPXPQSPRRZJCK-MRXNPFEDSA-N" . "InChI=1S/C20H15F5N6/c21-13-3-4-15(22)14(8-13)16-2-1-6-29(16)18-5-7-30-19(28-18)17(10-27-30)31-11-12(9-26-31)20(23,24)25/h3-5,7-11,16H,1-2,6H2/t16-/m1/s1" . "N#Cc1cc2cnc(nc2n(c1=O)C1CCCC1)Nc1ccc(cc1)N1CCN(CC1)C" . "C1(CCCC1)n1c(=O)c(cc2c1nc(nc2)Nc1ccc(cc1)N1CCN(CC1)C)C#N" . "VADOZMZXXRBXNY-UHFFFAOYSA-N" . "InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28)" . "COc1nsc(n1)NC(=O)N1C[C@@H]2[C@H](C1)CC(C2)N(c1ncnc2c1cc[nH]2)C" . "CN(C1C[C@@H]2CN(C[C@@H]2C1)C(=O)Nc1nc(ns1)OC)c1ncnc2c1cc[nH]2" . "DNBCBAXDWNDRNO-FOSCPWQOSA-N" . "InChI=1S/C18H22N8O2S/c1-25(15-13-3-4-19-14(13)20-9-21-15)12-5-10-7-26(8-11(10)6-12)18(27)23-17-22-16(28-2)24-29-17/h3-4,9-12H,5-8H2,1-2H3,(H,19,20,21)(H,22,23,24,27)/t10-,11+,12?" . "COc1cc(ccc1Nc1ncc(c(n1)Nc1ccccc1P(=O)(C)C)Cl)N1CCC2(CC1)CCN(CC2)C" . "Clc1c(nc(nc1)Nc1c(cc(cc1)N1CCC2(CC1)CCN(CC2)C)OC)Nc1c(cccc1)P(=O)(C)C" . "ZPCCNHQDFZCULN-UHFFFAOYSA-N" . "InChI=1S/C29H38ClN6O2P/c1-35-15-11-29(12-16-35)13-17-36(18-14-29)21-9-10-23(25(19-21)38-2)33-28-31-20-22(30)27(34-28)32-24-7-5-6-8-26(24)39(3,4)37/h5-10,19-20H,11-18H2,1-4H3,(H2,31,32,33,34)" . "COc1ncc(cc1NS(=O)(=O)c1ccc(cc1Cl)F)c1ccc2n(c1)c(=O)c(cn2)OCCN(C)C" . "Clc1c(ccc(c1)F)S(=O)(=O)Nc1c(ncc(c1)c1ccc2n(c(=O)c(cn2)OCCN(C)C)c1)OC" . "BXKBZQAZYOZHJY-UHFFFAOYSA-N" . "InChI=1S/C24H23ClFN5O5S/c1-30(2)8-9-36-20-13-27-22-7-4-15(14-31(22)24(20)32)16-10-19(23(35-3)28-12-16)29-37(33,34)21-6-5-17(26)11-18(21)25/h4-7,10-14,29H,8-9H2,1-3H3" . "COc1cc(ncc1c1cnc(c(c1)O[C@@H](c1c(Cl)ccc(c1Cl)F)C)N)N1CCNC[C@@H]1C" . "Clc1c(c(ccc1F)Cl)[C@@H](C)Oc1cc(cnc1N)c1cnc(cc1OC)N1[C@H](CNCC1)C" . "BVGDAZBTIVRTGO-UONOGXRCSA-N" . "InChI=1S/C24H26Cl2FN5O2/c1-13-10-29-6-7-32(13)21-9-19(33-3)16(12-30-21)15-8-20(24(28)31-11-15)34-14(2)22-17(25)4-5-18(27)23(22)26/h4-5,8-9,11-14,29H,6-7,10H2,1-3H3,(H2,28,31)/t13-,14+/m0/s1" . "COc1ccc(c(c1O)OC)[C@@H]1COc2c(C1)ccc(c2OC)O" . "COc1c(O)c(OC)c(cc1)[C@@H]1COc2c(C1)ccc(O)c2OC" . "QVVPJFBYFYYVDM-NSHDSACASA-N" . "InChI=1S/C18H20O6/c1-21-14-7-5-12(17(22-2)15(14)20)11-8-10-4-6-13(19)18(23-3)16(10)24-9-11/h4-7,11,19-20H,8-9H2,1-3H3/t11-/m0/s1" . "C[C@H]1CNC(=O)c2cnn3c2nc2C(Cc4c(O1)ncc(c4)F)[C@@H]1CCC[C@H]1Oc2c3" . "[C@@H]12CCC[C@H]1C1Cc3c(O[C@@H](C)CNC(=O)c4c5nc1c(O2)cn5nc4)ncc(F)c3" . "DQWACWSBFOTIDY-OUPFIFMPSA-N" . "InChI=1S/C22H22FN5O3/c1-11-7-24-21(29)16-9-26-28-10-18-19(27-20(16)28)15(14-3-2-4-17(14)31-18)6-12-5-13(23)8-25-22(12)30-11/h5,8-11,14-15,17H,2-4,6-7H2,1H3,(H,24,29)/t11-,14-,15?,17+/m0/s1" . "C#CCn1c(=O)n(c2c1cnc(n2)N)[C@@H]1O[C@@H]([C@H]([C@H]1O)F)CO" . "Nc1ncc2n(c(=O)n(c2n1)[C@H]1[C@H](O)[C@@H]([C@H](O1)CO)F)CC#C" . "NPRYCHLHHVWLQZ-TURQNECASA-N" . "InChI=1S/C13H14FN5O4/c1-2-3-18-6-4-16-12(15)17-10(6)19(13(18)22)11-9(21)8(14)7(5-20)23-11/h1,4,7-9,11,20-21H,3,5H2,(H2,15,16,17)/t7-,8-,9-,11-/m1/s1" . "Cc1cncc(c1)n1c(=O)[nH]/c(=N/c2cc3cn(nc3cc2Cl)C)/n(c1=O)Cc1cc(F)c(c(c1)F)F" . "Clc1c(cc2cn(nc2c1)C)/N=c/1/[nH]c(=O)n(c(=O)n1Cc1cc(c(c(c1)F)F)F)c1cncc(c1)C" . "FTIFIZZEWIBTMR-UHFFFAOYSA-N" . "InChI=1S/C24H17ClF3N7O2/c1-12-3-15(9-29-8-12)35-23(36)31-22(30-20-6-14-11-33(2)32-19(14)7-16(20)25)34(24(35)37)10-13-4-17(26)21(28)18(27)5-13/h3-9,11H,10H2,1-2H3,(H,30,31,36)" . "CCN1Cc2c(ccc(c2C#N)F)O[C@@H](C)CNC(=O)c2c3nc1ccn3nc2N" . "CCN1Cc2c(ccc(c2C#N)F)O[C@H](CNC(=O)c2c3nc1ccn3nc2N)C" . "UUDPUQDMSHQSKH-NSHDSACASA-N" . "InChI=1S/C20H20FN7O2/c1-3-27-10-13-12(8-22)14(21)4-5-15(13)30-11(2)9-24-20(29)17-18(23)26-28-7-6-16(27)25-19(17)28/h4-7,11H,3,9-10H2,1-2H3,(H2,23,26)(H,24,29)/t11-/m0/s1" . "O=C(c1n[nH]c(c1C)C)Nc1cnc2c(c1)cc([nH]2)c1ccccc1" . "Cc1c([nH]nc1C(=O)Nc1cnc2c(c1)cc([nH]2)c1ccccc1)C" . "NVSHVYGIYPBTEZ-UHFFFAOYSA-N" . "InChI=1S/C19H17N5O/c1-11-12(2)23-24-17(11)19(25)21-15-8-14-9-16(22-18(14)20-10-15)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,22)(H,21,25)(H,23,24)" . "CNS(=O)(=O)Nc1nccc(c1F)Cc1c(=O)oc2c(c1C)ccc(c2)Oc1ncccn1" . "Fc1c(nccc1Cc1c(=O)oc2c(c1C)ccc(c2)Oc1ncccn1)NS(=O)(=O)NC" . "LMMJFBMMJUMSJS-UHFFFAOYSA-N" . "InChI=1S/C21H18FN5O5S/c1-12-15-5-4-14(31-21-25-7-3-8-26-21)11-17(15)32-20(28)16(12)10-13-6-9-24-19(18(13)22)27-33(29,30)23-2/h3-9,11,23H,10H2,1-2H3,(H,24,27)" . "CNc1nc(cn2c1nnc2C)c1nc2c(n1Cc1ccccc1)cc(cc2)N1CCN(CC1)C" . "C(c1ccccc1)n1c(nc2c1cc(cc2)N1CCN(CC1)C)c1nc(c2n(c1)c(nn2)C)NC" . "JLUUVUUYIXBDCG-UHFFFAOYSA-N" . "InChI=1S/C26H29N9/c1-18-30-31-26-24(27-2)28-22(17-34(18)26)25-29-21-10-9-20(33-13-11-32(3)12-14-33)15-23(21)35(25)16-19-7-5-4-6-8-19/h4-10,15,17H,11-14,16H2,1-3H3,(H,27,28)" . "COc1cc2c(cc1OC)CCn1c2cc(=Nc2c(C)cc(cc2C)C)n(c1=O)CCNC(=O)N" . "Cc1cc(c(c(c1)C)N=c1cc2c3cc(c(cc3CCn2c(=O)n1CCNC(=O)N)OC)OC)C" . "CSOBIBXVIYAXFM-UHFFFAOYSA-N" . "InChI=1S/C26H31N5O4/c1-15-10-16(2)24(17(3)11-15)29-23-14-20-19-13-22(35-5)21(34-4)12-18(19)6-8-30(20)26(33)31(23)9-7-28-25(27)32/h10-14H,6-9H2,1-5H3,(H3,27,28,32)" . "FC(Oc1ccc(cc1)c1c[nH]c(n1)C(N)(C)C)(F)F" . "CC(C)(c1[nH]cc(n1)c1ccc(cc1)OC(F)(F)F)N" . "AGORGFNWYAUYSU-UHFFFAOYSA-N" . "InChI=1S/C13H14F3N3O/c1-12(2,17)11-18-7-10(19-11)8-3-5-9(6-4-8)20-13(14,15)16/h3-7H,17H2,1-2H3,(H,18,19)" . "CNC(=O)c1ccc(cc1)c1cnc2n1cc(nc2)C(=O)N(c1ccc(cc1)Cl)C" . "CNC(=O)c1ccc(cc1)c1cnc2n1cc(nc2)C(=O)N(C)c1ccc(cc1)Cl" . "TYMFFISSODJRDV-UHFFFAOYSA-N" . "InChI=1S/C22H18ClN5O2/c1-24-21(29)15-5-3-14(4-6-15)19-11-26-20-12-25-18(13-28(19)20)22(30)27(2)17-9-7-16(23)8-10-17/h3-13H,1-2H3,(H,24,29)" . "O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)C(=O)C" . "[C@@H]12CC[C@H](O)[C@@]1(C)CC[C@@H]1c3c(CC[C@@H]21)cc(cc3)C(=O)C" . "LURXOLBKAUTYIC-SLHNCBLASA-N" . "InChI=1S/C20H26O2/c1-12(21)13-3-5-15-14(11-13)4-6-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h3,5,11,16-19,22H,4,6-10H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1" . "C=Cc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C" . "[C@@H]12CC[C@H](O)[C@@]1(C)CC[C@@H]1c3c(CC[C@@H]21)cc(C=C)cc3" . "YVQVEUUGNXBURX-SLHNCBLASA-N" . "InChI=1S/C20H26O/c1-3-13-4-6-15-14(12-13)5-7-17-16(15)10-11-20(2)18(17)8-9-19(20)21/h3-4,6,12,16-19,21H,1,5,7-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1" . "COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C" . "[C@@H]12CC[C@H](O)[C@@]1(C)CC[C@@H]1c3c(CC[C@@H]21)cc(OC)cc3" . "ULAADVBNYHGIBP-GFEQUFNTSA-N" . "InChI=1S/C19H26O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-18,20H,3,5,7-10H2,1-2H3/t15-,16-,17+,18+,19+/m1/s1" . "O=c1[nH]c(=O)[nH]c(c1)C(=O)O" . "O=c1[nH]c(=O)[nH]c(c1)C(=O)O" . "PXQPEWDEAKTCGB-UHFFFAOYSA-N" . "InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)" . "O=C(Nc1ccc(c(c1)C(F)(F)F)Cl)Nc1ccc(cc1)Oc1ccnc(c1)C(=O)NC([2H])([2H])[2H]" . "C([2H])([2H])([2H])NC(=O)c1nccc(c1)Oc1ccc(cc1)NC(=O)Nc1cc(c(cc1)Cl)C(F)(F)F" . "MLDQJTXFUGDVEO-FIBGUPNXSA-N" . "InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)/i1D3" . "COc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN([C@H]4Cc1ccc(Oc4cc(C[C@@H]3N(CC2)C)ccc4OC)cc1)C" . "CN1CCc2cc(c3cc2[C@@H]1Cc1ccc(cc1)Oc1c(ccc(c1)C[C@H]1c2c(O3)c(c(cc2CCN1C)OC)OC)OC)OC" . "WVTKBKWTSCPRNU-KYJUHHDHSA-N" . "InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1" . "COc1cc2CCN(C(c2cc1Oc1ccccc1)Cc1ccc(cc1)Oc1ccccc1)C" . "COc1cc2c(cc1Oc1ccccc1)C(Cc1ccc(Oc3ccccc3)cc1)N(C)CC2" . "BTNHPUSFPKFAPU-UHFFFAOYSA-N" . "InChI=1S/C30H29NO3/c1-31-18-17-23-20-29(32-2)30(34-25-11-7-4-8-12-25)21-27(23)28(31)19-22-13-15-26(16-14-22)33-24-9-5-3-6-10-24/h3-16,20-21,28H,17-19H2,1-2H3" . "COc1cc2CCN(C(c2cc1OCc1ccccc1)Cc1ccc(cc1)OCc1ccccc1)C" . "COc1cc2c(cc1OCc1ccccc1)C(Cc1ccc(OCc3ccccc3)cc1)N(C)CC2" . "HZBGXMAYXSMTBE-UHFFFAOYSA-N" . "InChI=1S/C32H33NO3/c1-33-18-17-27-20-31(34-2)32(36-23-26-11-7-4-8-12-26)21-29(27)30(33)19-24-13-15-28(16-14-24)35-22-25-9-5-3-6-10-25/h3-16,20-21,30H,17-19,22-23H2,1-2H3" . "S=C(Nc1ccc(cc1c1nn[nH]n1)Br)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "c1cc(c(cc1Br)c1n[nH]nn1)NC(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "MDKAFDIKYQMOMF-UHFFFAOYSA-N" . "InChI=1S/C16H9BrF6N6S/c17-9-1-2-12(11(6-9)13-26-28-29-27-13)25-14(30)24-10-4-7(15(18,19)20)3-8(5-10)16(21,22)23/h1-6H,(H2,24,25,30)(H,26,27,28,29)" . "NCCCC[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)O)Cc1ccc2c(c1)cccc2)NC(=O)[C@@H]1C/C=C/C[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)CC(C)C)CCCNC(=N)N" . "N[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C/C=C/C1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)O)Cc1ccc2ccccc2c1" . "IIVCDBIBOGOXBU-NXDMJTDOSA-N" . "InChI=1S/C49H73N13O11/c1-28(2)23-36-45(69)61-38(27-63)46(70)58-34(14-6-5-13-32(51)41(65)56-35(44(68)59-36)16-9-21-54-49(52)53)43(67)57-33(15-7-8-20-50)42(66)55-26-40(64)62-22-10-17-39(62)47(71)60-37(48(72)73)25-29-18-19-30-11-3-4-12-31(30)24-29/h3-6,11-12,18-19,24,28,32-39,63H,7-10,13-17,20-23,25-27,50-51H2,1-2H3,(H,55,66)(H,56,65)(H,57,67)(H,58,70)(H,59,68)(H,60,71)(H,61,69)(H,72,73)(H4,52,53,54)/b6-5-/t32-,33-,34-,35-,36-,37+,38-,39-/m0/s1" . "NCCCC[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)O)Cc1cccc2c1cccc2)NC(=O)[C@@H]1C/C=C/C[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)CC(C)C)CCCNC(=N)N" . "N[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C/C=C/C1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)O)Cc1c2ccccc2ccc1" . "VXVNSDXGZQXERO-NXDMJTDOSA-N" . "InChI=1S/C49H73N13O11/c1-28(2)24-36-45(69)61-38(27-63)46(70)58-34(17-6-5-16-32(51)41(65)56-35(44(68)59-36)19-10-22-54-49(52)53)43(67)57-33(18-7-8-21-50)42(66)55-26-40(64)62-23-11-20-39(62)47(71)60-37(48(72)73)25-30-14-9-13-29-12-3-4-15-31(29)30/h3-6,9,12-15,28,32-39,63H,7-8,10-11,16-27,50-51H2,1-2H3,(H,55,66)(H,56,65)(H,57,67)(H,58,70)(H,59,68)(H,60,71)(H,61,69)(H,72,73)(H4,52,53,54)/b6-5-/t32-,33-,34-,35-,36-,37+,38-,39-/m0/s1" . "Fc1ccc(c(c1)OCCc1c(C)nn(c1C)C)c1ccc2c(c1)c(CN(C)C)nn2C" . "Cc1c(c(nn1C)C)CCOc1c(ccc(c1)F)c1cc2c(cc1)n(nc2CN(C)C)C" . "YEOAAQMCKFJWKF-UHFFFAOYSA-N" . "InChI=1S/C25H30FN5O/c1-16-20(17(2)30(5)27-16)11-12-32-25-14-19(26)8-9-21(25)18-7-10-24-22(13-18)23(15-29(3)4)28-31(24)6/h7-10,13-14H,11-12,15H2,1-6H3" . "Brc1ccc(c(c1)c1cc(c(n1CC1CCCCC1)C)C(=O)O)OC(F)(F)F" . "Cc1c(cc(n1CC1CCCCC1)c1c(OC(F)(F)F)ccc(Br)c1)C(=O)O" . "INDFMVADKKBSSU-UHFFFAOYSA-N" . "InChI=1S/C20H21BrF3NO3/c1-12-15(19(26)27)10-17(25(12)11-13-5-3-2-4-6-13)16-9-14(21)7-8-18(16)28-20(22,23)24/h7-10,13H,2-6,11H2,1H3,(H,26,27)" . "N#C/C(=C(/c1cc(Cl)cc(c1)Cl)/O)/C(=O)Nc1ccc(cc1)C(F)(F)F" . "O/C(=C(/C#N)/C(=O)Nc1ccc(cc1)C(F)(F)F)/c1cc(Cl)cc(Cl)c1" . "FVJSEJNZNQVVDZ-CCEZHUSRSA-N" . "InChI=1S/C17H9Cl2F3N2O2/c18-11-5-9(6-12(19)7-11)15(25)14(8-23)16(26)24-13-3-1-10(2-4-13)17(20,21)22/h1-7,25H,(H,24,26)/b15-14+" . "Cc1cc(C)cc(c1C1=NOC2C1CCCO2)C" . "Cc1cc(C)c(C2=NOC3OCCCC23)c(C)c1" . "PDQSLEUINSEJHR-UHFFFAOYSA-N" . "InChI=1S/C15H19NO2/c1-9-7-10(2)13(11(3)8-9)14-12-5-4-6-17-15(12)18-16-14/h7-8,12,15H,4-6H2,1-3H3" . "O=C(N1c2ccccc2C(CC1(C)C)C)CN1C(=O)c2c(C1=O)c(Cl)c(c(c2Cl)Cl)Cl" . "CC1CC(C)(C)N(C(=O)CN2C(=O)c3c(C2=O)c(Cl)c(Cl)c(Cl)c3Cl)c2ccccc12" . "JSVBOFDROKCPIA-UHFFFAOYSA-N" . "InChI=1S/C22H18Cl4N2O3/c1-10-8-22(2,3)28(12-7-5-4-6-11(10)12)13(29)9-27-20(30)14-15(21(27)31)17(24)19(26)18(25)16(14)23/h4-7,10H,8-9H2,1-3H3" . "COC(=O)NC12CCC(CC1)(CC2)n1cc(c2c1ncnc2N)c1cc(N)c(cc1F)Cl" . "Nc1c2c(ncn1)n(cc2c1c(cc(c(c1)N)Cl)F)C12CCC(CC1)(CC2)NC(=O)OC" . "FJTQBVRKZLEDPK-UHFFFAOYSA-N" . "InChI=1S/C22H24ClFN6O2/c1-32-20(31)29-21-2-5-22(6-3-21,7-4-21)30-10-13(17-18(26)27-11-28-19(17)30)12-8-16(25)14(23)9-15(12)24/h8-11H,2-7,25H2,1H3,(H,29,31)(H2,26,27,28)" . "Clc1ccc2c(c1Cl)CNCCC2" . "Clc1ccc2c(c1Cl)CNCCC2" . "IADAQXMUWITWNG-UHFFFAOYSA-N" . "InChI=1S/C10H11Cl2N/c11-9-4-3-7-2-1-5-13-6-8(7)10(9)12/h3-4,13H,1-2,5-6H2" . "O[C@@H]1C(Oc2cc(C(F)F)c(c3c2CNCC3)F)C[C@H]([C@@H]1O)n1ccc2c1ncnc2C" . "Cc1c2ccn([C@@H]3CC(Oc4c5CNCCc5c(F)c(c4)C(F)F)[C@@H](O)[C@H]3O)c2ncn1" . "HBGHQRGHFNTSDP-DGJRPJRTSA-N" . "InChI=1S/C22H23F3N4O3/c1-10-11-3-5-29(22(11)28-9-27-10)15-7-17(20(31)19(15)30)32-16-6-13(21(24)25)18(23)12-2-4-26-8-14(12)16/h3,5-6,9,15,17,19-21,26,30-31H,2,4,7-8H2,1H3/t15-,17?,19+,20-/m1/s1" . "C[C@@H]1COCCN1c1nn2c(c1)C(=O)N[C@@H]1[C@H]2CCC1" . "C[C@@H]1COCCN1c1nn2[C@@H]3CCC[C@@H]3NC(=O)c2c1" . "LQBRZKIUSVUXJP-OUAUKWLOSA-N" . "InChI=1S/C14H20N4O2/c1-9-8-20-6-5-17(9)13-7-12-14(19)15-10-3-2-4-11(10)18(12)16-13/h7,9-11H,2-6,8H2,1H3,(H,15,19)/t9-,10+,11-/m1/s1" . "CCOCCOC[C@H]1CCCN(C1)c1ccnc2c1c(N)c(s2)C(=O)N" . "Nc1c(sc2nccc(c12)N1C[C@H](CCC1)COCCOCC)C(=O)N" . "GOAKYBVMJUXOFY-LBPRGKRZSA-N" . "InChI=1S/C18H26N4O3S/c1-2-24-8-9-25-11-12-4-3-7-22(10-12)13-5-6-21-18-14(13)15(19)16(26-18)17(20)23/h5-6,12H,2-4,7-11,19H2,1H3,(H2,20,23)/t12-/m0/s1" . "N#Cc1ccc2c(c1P(=O)(C)C)[nH]cc2c1nc(ncc1C(F)(F)F)N[C@H]1CCC(NC1)(C)C" . "CC1(C)CC[C@H](Nc2ncc(c(c3c[nH]c4c3ccc(C#N)c4P(=O)(C)C)n2)C(F)(F)F)CN1" . "JDJOUBVVSQDIRC-AWEZNQCLSA-N" . "InChI=1S/C23H26F3N6OP/c1-22(2)8-7-14(10-30-22)31-21-29-12-17(23(24,25)26)18(32-21)16-11-28-19-15(16)6-5-13(9-27)20(19)34(3,4)33/h5-6,11-12,14,28,30H,7-8,10H2,1-4H3,(H,29,31,32)/t14-/m0/s1" . "N#C[C@]1(O[C@@H]([C@H]([C@H]1OC(=O)C(C)C)OC(=O)C(C)C)COC(=O)C(C)C)c1ccc2n1ncnc2N" . "CC(C)C(=O)OC[C@H]1O[C@](C#N)([C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C)c1ccc2n1ncnc2N" . "RVSSLHFYCSUAHY-JQGROFRJSA-N" . "InChI=1S/C24H31N5O7/c1-12(2)21(30)33-9-16-18(34-22(31)13(3)4)19(35-23(32)14(5)6)24(10-25,36-16)17-8-7-15-20(26)27-11-28-29(15)17/h7-8,11-14,16,18-19H,9H2,1-6H3,(H2,26,27,28)/t16-,18-,19-,24+/m1/s1" . "COCCCC1CCC(CC1)Oc1nc(N2CCC3(CC2)CN(C3)C(=O)C=C)c2c(n1)c(OCC(F)(F)F)c(c(c2)C1CC1)c1c(C)ccc2c1cn[nH]2" . "COCCCC1CCC(CC1)Oc1nc(N2CCC3(CN(C3)C(=O)C=C)CC2)c2cc(C3CC3)c(c(OCC(F)(F)F)c2n1)c1c2cn[nH]c2ccc1C" . "YNLGBBXDUCMNPY-UHFFFAOYSA-N" . "InChI=1S/C41H49F3N6O4/c1-4-33(51)50-22-40(23-50)15-17-49(18-16-40)38-30-20-29(27-10-11-27)35(34-25(2)7-14-32-31(34)21-45-48-32)37(53-24-41(42,43)44)36(30)46-39(47-38)54-28-12-8-26(9-13-28)6-5-19-52-3/h4,7,14,20-21,26-28H,1,5-6,8-13,15-19,22-24H2,2-3H3,(H,45,48)" . "CCOCc1[nH]c(=O)c(c(c1c1c(OC)cccc1OC)O)c1nnc(o1)Cc1ccc(cn1)Cl" . "CCOCc1c(c(c(c(=O)[nH]1)c1nnc(o1)Cc1ncc(cc1)Cl)O)c1c(cccc1OC)OC" . "AGZKELPIAJYRDT-UHFFFAOYSA-N" . "InChI=1S/C24H23ClN4O6/c1-4-34-12-15-19(20-16(32-2)6-5-7-17(20)33-3)22(30)21(23(31)27-15)24-29-28-18(35-24)10-14-9-8-13(25)11-26-14/h5-9,11H,4,10,12H2,1-3H3,(H2,27,30,31)" . "CCCCc1nc(=O)c(c(n1c1c(OC)cccc1OC)O)C(=O)N1CC[C@H](C1)c1ccc(cn1)Cl" . "C(CCC)c1n(c(c(c(=O)n1)C(=O)N1C[C@@H](CC1)c1ncc(cc1)Cl)O)c1c(cccc1OC)OC" . "KSQCOKRJNWPXJJ-MRXNPFEDSA-N" . "InChI=1S/C26H29ClN4O5/c1-4-5-9-21-29-24(32)22(26(34)31(21)23-19(35-2)7-6-8-20(23)36-3)25(33)30-13-12-16(15-30)18-11-10-17(27)14-28-18/h6-8,10-11,14,16,34H,4-5,9,12-13,15H2,1-3H3/t16-/m1/s1" . "CCc1cccc(c1n1c(O)c(c(=O)nc1c1ccn(n1)C)C(=O)N1CC[C@H](C1)c1ncc(cc1F)Cl)CC" . "CCc1cccc(CC)c1n1c(O)c(c(=O)nc1c1nn(cc1)C)C(=O)N1CC[C@@H](c2ncc(cc2F)Cl)C1" . "BFXUALMCVABIFZ-GOSISDBHSA-N" . "InChI=1S/C28H28ClFN6O3/c1-4-16-7-6-8-17(5-2)24(16)36-25(21-10-11-34(3)33-21)32-26(37)22(28(36)39)27(38)35-12-9-18(15-35)23-20(30)13-19(29)14-31-23/h6-8,10-11,13-14,18,39H,4-5,9,12,15H2,1-3H3/t18-/m1/s1" . "O=C[C@@H](NC(=O)[C@@H](NC(=O)OC(c1ccccc1)([2H])[2H])CC(C)C)C[C@@H]1CCNC1=O" . "c1(ccccc1)C([2H])([2H])OC(=O)N[C@H](C(=O)N[C@H](C=O)C[C@H]1C(=O)NCC1)CC(C)C" . "QYENXTYKACLCGO-UIWACHPISA-N" . "InChI=1S/C21H29N3O5/c1-14(2)10-18(24-21(28)29-13-15-6-4-3-5-7-15)20(27)23-17(12-25)11-16-8-9-22-19(16)26/h3-7,12,14,16-18H,8-11,13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1/i13D2" . "[Na]OS(=O)(=O)C([C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](NC(=O)OC(c1ccccc1)C1CCC(CC1)(F)F)CC(C)C)O" . "O=C(N[C@H](C(=O)N[C@H](C(S(=O)(=O)O[Na])O)C[C@H]1C(=O)NCC1)CC(C)C)OC(C1CCC(F)(F)CC1)c1ccccc1" . "DVWOYOSIEJRHKW-UIRZNSHLSA-M" . "InChI=1S/C27H39F2N3O8S.Na/c1-16(2)14-20(24(34)31-21(25(35)41(37,38)39)15-19-10-13-30-23(19)33)32-26(36)40-22(17-6-4-3-5-7-17)18-8-11-27(28,29)12-9-18;/h3-7,16,18-22,25,35H,8-15H2,1-2H3,(H,30,33)(H,31,34)(H,32,36)(H,37,38,39);/q;+1/p-1/t19-,20-,21-,22?,25?;/m0./s1" . "Fc1ccc(cc1)CN1CCOc2c(C1=O)ccc(c2)c1cnc2c(c1)cc[nH]2" . "O=C1c2ccc(c3cc4cc[nH]c4nc3)cc2OCCN1Cc1ccc(F)cc1" . "UVLOISNMRLZTPF-UHFFFAOYSA-N" . "InChI=1S/C23H18FN3O2/c24-19-4-1-15(2-5-19)14-27-9-10-29-21-12-16(3-6-20(21)23(27)28)18-11-17-7-8-25-22(17)26-13-18/h1-8,11-13H,9-10,14H2,(H,25,26)" . "CCCCOc1nc2ccccc2c(c1)C(=O)Nc1cc(cc(c1)C(F)(F)F)n1cnc(c1)C" . "O=C(c1cc(OCCCC)nc2c1cccc2)Nc1cc(C(F)(F)F)cc(n2cc(C)nc2)c1" . "RTKBIHCZDFXHLC-UHFFFAOYSA-N" . "InChI=1S/C25H23F3N4O2/c1-3-4-9-34-23-13-21(20-7-5-6-8-22(20)31-23)24(33)30-18-10-17(25(26,27)28)11-19(12-18)32-14-16(2)29-15-32/h5-8,10-15H,3-4,9H2,1-2H3,(H,30,33)" . "Clc1ccc(c(c1)Cl)[C@@]1(OC[C@H](O1)COc1ccc(cc1)N1CCN(CC1)C(=O)C)Cn1cncc1" . "CC(=O)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1CO[C@@](O1)(Cn1ccnc1)c1c(cc(cc1)Cl)Cl" . "XMAYWYJOQHXEEK-ZEQKJWHPSA-N" . "InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1" . "OC(=O)CNC(=O)c1c(=O)cc(n2c1nc[nH]2)CCc1ccccc1" . "c1ccc(cc1)CCc1cc(=O)c(c2n1[nH]cn2)C(=O)NCC(=O)O" . "FJYRBJKWDXVHHO-UHFFFAOYSA-N" . "InChI=1S/C17H16N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-5,8,10H,6-7,9H2,(H,18,25)(H,19,20)(H,23,24)" . "Clc1ccc(c(c1)Cl)C(=O)Cn1cnc2c1ncnc2Cl" . "Clc1c2ncn(c2ncn1)CC(=O)c1c(cc(cc1)Cl)Cl" . "NLRGSGVPLHCTPK-UHFFFAOYSA-N" . "InChI=1S/C13H7Cl3N4O/c14-7-1-2-8(9(15)3-7)10(21)4-20-6-19-11-12(16)17-5-18-13(11)20/h1-3,5-6H,4H2" . "FC(Oc1ccc(cc1)c1nnc2n1c(OCCc1ccccc1)cnc2)F" . "FC(F)Oc1ccc(cc1)c1nnc2cncc(OCCc3ccccc3)n12" . "AVBCIJLYABLIRW-UHFFFAOYSA-N" . "InChI=1S/C20H16F2N4O2/c21-20(22)28-16-8-6-15(7-9-16)19-25-24-17-12-23-13-18(26(17)19)27-11-10-14-4-2-1-3-5-14/h1-9,12-13,20H,10-11H2" . "OC(c1ccc(c(c1)F)F)COc1cncc2n1c(nn2)c1ccc(cc1)OC(C)(C)C" . "CC(C)(C)Oc1ccc(cc1)c1nnc2cncc(OCC(O)c3cc(F)c(F)cc3)n12" . "YXNHLRADFLNVIV-UHFFFAOYSA-N" . "InChI=1S/C23H22F2N4O3/c1-23(2,3)32-16-7-4-14(5-8-16)22-28-27-20-11-26-12-21(29(20)22)31-13-19(30)15-6-9-17(24)18(25)10-15/h4-12,19,30H,13H2,1-3H3" . "O=C(Nc1cnc(s1)c1ccc(cc1F)F)CCCN1CCOCCC1" . "Fc1ccc(c2ncc(NC(=O)CCCN3CCCOCC3)s2)c(F)c1" . "RPGKIKHEBZDURC-UHFFFAOYSA-N" . "InChI=1S/C18H21F2N3O2S/c19-13-4-5-14(15(20)11-13)18-21-12-17(26-18)22-16(24)3-1-6-23-7-2-9-25-10-8-23/h4-5,11-12H,1-3,6-10H2,(H,22,24)" . "Clc1ccc(cc1)c1ccc2c(c1)c1c(cn2)ccc(=O)n1c1ccc(cc1)C(=O)NC1CC1" . "Clc1ccc(cc1)c1ccc2ncc3c(n(c(=O)cc3)c3ccc(cc3)C(=O)NC3CC3)c2c1" . "VPSFQPBONOUNSO-UHFFFAOYSA-N" . "InChI=1S/C28H20ClN3O2/c29-21-7-1-17(2-8-21)19-5-13-25-24(15-19)27-20(16-30-25)6-14-26(33)32(27)23-11-3-18(4-12-23)28(34)31-22-9-10-22/h1-8,11-16,22H,9-10H2,(H,31,34)" . "O=C(NC1CC(C)(C)NC(C1)(C)C)COc1ccc(cc1Br)C(C)C" . "CC(C)c1cc(Br)c(OCC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1" . "OTTDLWFVHQYRDA-UHFFFAOYSA-N" . "InChI=1S/C20H31BrN2O2/c1-13(2)14-7-8-17(16(21)9-14)25-12-18(24)22-15-10-19(3,4)23-20(5,6)11-15/h7-9,13,15,23H,10-12H2,1-6H3,(H,22,24)" . "O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1O[C@@H](COC(=O)c2cc(O)c(c(c2)O)O)[C@@H]([C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O" . "Oc1cc(cc(O)c1O)C(=O)OC[C@@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1" . "QJYNZEYHSMRWBK-LOMPCTGFSA-N" . "InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34-,35+,41-/m0/s1" . "FC(Oc1ccc(cc1)C(=O)CSc1nnc(s1)Nc1ccccc1F)F" . "FC(F)Oc1ccc(cc1)C(=O)CSc1nnc(Nc2c(F)cccc2)s1" . "IMTBFONQRNCXSE-UHFFFAOYSA-N" . "InChI=1S/C17H12F3N3O2S2/c18-12-3-1-2-4-13(12)21-16-22-23-17(27-16)26-9-14(24)10-5-7-11(8-6-10)25-15(19)20/h1-8,15H,9H2,(H,21,22)" . "O[C@@H]1CC[C@@H]2[C@@H](C1)c1c(N[C@H]2C)cc(cc1OC(=O)C)O[C@@H](CCCc1ccccc1)C" . "C[C@H]1[C@@H]2CC[C@H](C[C@H]2c2c(N1)cc(cc2OC(=O)C)O[C@H](C)CCCc1ccccc1)O" . "FFVXQGMUHIJQAO-BFKQJKLPSA-N" . "InChI=1S/C27H35NO4/c1-17(8-7-11-20-9-5-4-6-10-20)31-22-15-25-27(26(16-22)32-19(3)29)24-14-21(30)12-13-23(24)18(2)28-25/h4-6,9-10,15-18,21,23-24,28,30H,7-8,11-14H2,1-3H3/t17-,18+,21-,23+,24-/m1/s1" . "O=C(Oc1ccc(c(c1)c1cccc(c1)C(=O)N)O)NC1CCCCC1" . "C1CCC(CC1)NC(=O)Oc1cc(c(cc1)O)c1cc(ccc1)C(=O)N" . "CMEQHOXCIGFZNJ-UHFFFAOYSA-N" . "InChI=1S/C20H22N2O4/c21-19(24)14-6-4-5-13(11-14)17-12-16(9-10-18(17)23)26-20(25)22-15-7-2-1-3-8-15/h4-6,9-12,15,23H,1-3,7-8H2,(H2,21,24)(H,22,25)" . "Clc1ccc(c(c1)N1CC2CCC(C1)O2)CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F" . "O=C(N1CCN(Cc2ccc(Cl)cc2N2CC3OC(CC3)C2)CC1)OC(C(F)(F)F)C(F)(F)F" . "CXSFVTMRWPSLGO-UHFFFAOYSA-N" . "InChI=1S/C21H24ClF6N3O3/c22-14-2-1-13(17(9-14)31-11-15-3-4-16(12-31)33-15)10-29-5-7-30(8-6-29)19(32)34-18(20(23,24)25)21(26,27)28/h1-2,9,15-16,18H,3-8,10-12H2" . "CNC(=O)COC(=O)N1CCC(CC1)CCc1ccc(cc1)Cl" . "Clc1ccc(cc1)CCC1CCN(C(=O)OCC(=O)NC)CC1" . "JFSSVCSHPDLFCM-UHFFFAOYSA-N" . "InChI=1S/C17H23ClN2O3/c1-19-16(21)12-23-17(22)20-10-8-14(9-11-20)3-2-13-4-6-15(18)7-5-13/h4-7,14H,2-3,8-12H2,1H3,(H,19,21)" . "CSC1O[C@@H]([C@@H]([C@@H](Cl)C)NC(=O)[C@H]2NC[C@H]3[C@H]2OCC[C@H](C3)CC(C)C)C([C@H]([C@H]1O)O)O" . "[C@H]12CN[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]3OC(SC)[C@H](O)[C@H](O)C3O)[C@@H]1OCC[C@@H](CC(C)C)C2" . "JPCLUJPDWMBCAA-ALYUFWCISA-N" . "InChI=1S/C22H39ClN2O6S/c1-10(2)7-12-5-6-30-19-13(8-12)9-24-15(19)21(29)25-14(11(3)23)20-17(27)16(26)18(28)22(31-20)32-4/h10-20,22,24,26-28H,5-9H2,1-4H3,(H,25,29)/t11-,12-,13-,14+,15-,16+,17?,18+,19+,20-,22?/m0/s1" . "NCCCC[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N)CCCCN)Cc1ccccc1)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1cnc[nH]1)N" . "c1ccc(cc1)C[C@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)N" . "MGSNWNLPMHXGDD-DFWOJPNQSA-N" . "InChI=1S/C49H63N13O6/c50-20-10-8-18-39(44(53)63)58-47(66)41(22-30-12-2-1-3-13-30)61-49(68)43(24-32-27-56-38-17-7-5-15-35(32)38)62-46(65)40(19-9-11-21-51)59-48(67)42(23-31-26-55-37-16-6-4-14-34(31)37)60-45(64)36(52)25-33-28-54-29-57-33/h1-7,12-17,26-29,36,39-43,55-56H,8-11,18-25,50-52H2,(H2,53,63)(H,54,57)(H,58,66)(H,59,67)(H,60,64)(H,61,68)(H,62,65)/t36-,39-,40+,41+,42+,43-/m0/s1" . "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@@]2(OC(=C(C)C2)[C@@H]([C@H]([C@]1(C)O)O)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C(C)C)C" . "CC[C@@H]1[C@@]([C@@H]([C@H](C2=C(C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]1C[C@@]([C@H]([C@@H](O1)C)O)(C)OC)C)O[C@H]1[C@@H]([C@H](C[C@H](O1)C)N(C)C(C)C)O)C)C)C)O)(C)O" . "FPBKIOZMKHHNLL-CBUZSSJJSA-N" . "InChI=1S/C39H69NO12/c1-15-27-39(12,45)32(42)22(6)30-20(4)17-38(11,52-30)34(51-36-29(41)26(16-21(5)47-36)40(13)19(2)3)23(7)31(24(8)35(44)49-27)50-28-18-37(10,46-14)33(43)25(9)48-28/h19,21-29,31-34,36,41-43,45H,15-18H2,1-14H3/t21-,22+,23+,24-,25+,26+,27-,28+,29-,31+,32-,33+,34-,36+,37-,38-,39-/m1/s1" . "Cn1c2ccsc2c(=O)n(c2c1nc(nc2)Nc1ccc(cc1)S(=O)(=O)N)C" . "Cn1c2c(scc2)c(=O)n(C)c2c1nc(Nc1ccc(cc1)S(=O)(=O)N)nc2" . "YRDHKIFCGOZTGD-UHFFFAOYSA-N" . "InChI=1S/C17H16N6O3S2/c1-22-12-7-8-27-14(12)16(24)23(2)13-9-19-17(21-15(13)22)20-10-3-5-11(6-4-10)28(18,25)26/h3-9H,1-2H3,(H2,18,25,26)(H,19,20,21)" . "CC(=O)NC1CCN(CC1)c1ncnc2c1c(c[nH]2)c1cccc(c1)Cl" . "Clc1cccc(c2c[nH]c3ncnc(N4CCC(NC(=O)C)CC4)c23)c1" . "AYRVYPOFYQSRNH-UHFFFAOYSA-N" . "InChI=1S/C19H20ClN5O/c1-12(26)24-15-5-7-25(8-6-15)19-17-16(10-21-18(17)22-11-23-19)13-3-2-4-14(20)9-13/h2-4,9-11,15H,5-8H2,1H3,(H,24,26)(H,21,22,23)" . "O=C(NS(=O)(=O)c1cccc(c1)C(O)(C)C)Nc1c(cc(cc1C(C)C)Cl)C(C)C" . "CC(C)c1cc(Cl)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1cccc(c1)C(C)(C)O" . "YRSBLSHMKVQWHP-UHFFFAOYSA-N" . "InChI=1S/C22H29ClN2O4S/c1-13(2)18-11-16(23)12-19(14(3)4)20(18)24-21(26)25-30(28,29)17-9-7-8-15(10-17)22(5,6)27/h7-14,27H,1-6H3,(H2,24,25,26)" . "O=C(NS(=O)(=O)c1cccc(c1)C(C)C)Nc1c(cc(cc1C(C)C)Cl)C(C)C" . "CC(C)c1cc(ccc1)S(=O)(=O)NC(=O)Nc1c(cc(Cl)cc1C(C)C)C(C)C" . "ZKEBNWAADHAYQJ-UHFFFAOYSA-N" . "InChI=1S/C22H29ClN2O3S/c1-13(2)16-8-7-9-18(10-16)29(27,28)25-22(26)24-21-19(14(3)4)11-17(23)12-20(21)15(5)6/h7-15H,1-6H3,(H2,24,25,26)" . "N#Cc1ccc2c(c1)c(C[NH+]1CCC3(C1)CCN(C3)c1ncc(cn1)C(=O)NO)cn2C" . "Cn1cc(C[NH+]2CCC3(CCN(c4ncc(C(=O)NO)cn4)C3)C2)c2cc(C#N)ccc12" . "XYBGCCKUMXSCIP-UHFFFAOYSA-O" . "InChI=1S/C23H25N7O2/c1-28-12-18(19-8-16(9-24)2-3-20(19)28)13-29-6-4-23(14-29)5-7-30(15-23)22-25-10-17(11-26-22)21(31)27-32/h2-3,8,10-12,32H,4-7,13-15H2,1H3,(H,27,31)/p+1" . "CNS(=O)(=O)c1ccc(c(c1)Nc1ncnc2c1ccc(c2)OCCCN1CCN(CC1)C(=O)N1CCN(CC1)CCC#Cc1ccc(cc1)N1CCC(=O)NC1=O)N(C)C" . "CNS(=O)(=O)c1cc(Nc2ncnc3cc(OCCCN4CCN(CC4)C(=O)N4CCN(CCC#Cc5ccc(cc5)N5CCC(=O)NC5=O)CC4)ccc23)c(cc1)N(C)C" . "OGZQGEDLXOIYFN-UHFFFAOYSA-N" . "InChI=1S/C43H53N11O6S/c1-44-61(58,59)35-13-15-39(49(2)3)38(30-35)47-41-36-14-12-34(29-37(36)45-31-46-41)60-28-6-18-51-22-26-53(27-23-51)43(57)52-24-20-50(21-25-52)17-5-4-7-32-8-10-33(11-9-32)54-19-16-40(55)48-42(54)56/h8-15,29-31,44H,5-6,16-28H2,1-3H3,(H,45,46,47)(H,48,55,56)" . "CNc1ncnc(c1)Oc1c(Cl)cc(cc1Cl)NC(=O)Nc1cccc(c1)C(F)(F)F" . "CNc1cc(Oc2c(Cl)cc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2Cl)ncn1" . "QOQADIYOLOHRAW-UHFFFAOYSA-N" . "InChI=1S/C19H14Cl2F3N5O2/c1-25-15-8-16(27-9-26-15)31-17-13(20)6-12(7-14(17)21)29-18(30)28-11-4-2-3-10(5-11)19(22,23)24/h2-9H,1H3,(H,25,26,27)(H2,28,29,30)" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)[C@H](O)C)[C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)N)CO)Cc1ccccc1)CO)CC(=O)O)CCC(=O)O)Cc1ccc(cc1)O)CC(=O)N)CC(C)C)CC(=O)O)CC(=O)N)CC(C)C)C)C)CCCNC(=N)N)CC(=O)O)Cc1ccccc1)CC(=O)N)CC(C)C)CCC(=O)N" . "NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)O" . "YVPAJDRBTJWURG-YXFFYCBWSA-N" . "InChI=1S/C160H242N40O54/c1-20-75(11)123(152(246)178-94(47-49-112(163)207)136(230)198-127(81(17)203)156(250)177-92(41-32-33-51-161)135(229)194-126(78(14)23-4)155(249)200-128(82(18)204)157(251)192-109(159(253)254)67-122(222)223)195-147(241)98(55-74(9)10)180-141(235)102(59-87-68-170-91-40-31-30-39-89(87)91)184-143(237)104(62-114(165)209)191-153(247)124(76(12)21-2)196-148(242)101(57-85-37-28-25-29-38-85)182-145(239)107(65-120(218)219)187-133(227)93(42-34-52-169-160(167)168)175-131(225)80(16)172-130(224)79(15)173-137(231)96(53-72(5)6)179-142(236)103(61-113(164)208)185-146(240)108(66-121(220)221)188-138(232)97(54-73(7)8)190-154(248)125(77(13)22-3)197-158(252)129(83(19)205)199-149(243)105(63-115(166)210)186-139(233)100(58-86-43-45-88(206)46-44-86)181-134(228)95(48-50-117(212)213)176-144(238)106(64-119(216)217)189-151(245)111(71-202)193-140(234)99(56-84-35-26-24-27-36-84)183-150(244)110(70-201)174-116(211)69-171-132(226)90(162)60-118(214)215/h24-31,35-40,43-46,68,72-83,90,92-111,123-129,170,201-206H,20-23,32-34,41-42,47-67,69-71,161-162H2,1-19H3,(H2,163,207)(H2,164,208)(H2,165,209)(H2,166,210)(H,171,226)(H,172,224)(H,173,231)(H,174,211)(H,175,225)(H,176,238)(H,177,250)(H,178,246)(H,179,236)(H,180,235)(H,181,228)(H,182,239)(H,183,244)(H,184,237)(H,185,240)(H,186,233)(H,187,227)(H,188,232)(H,189,245)(H,190,248)(H,191,247)(H,192,251)(H,193,234)(H,194,229)(H,195,241)(H,196,242)(H,197,252)(H,198,230)(H,199,243)(H,200,249)(H,212,213)(H,214,215)(H,216,217)(H,218,219)(H,220,221)(H,222,223)(H,253,254)(H4,167,168,169)/t75-,76-,77-,78-,79-,80-,81+,82+,83+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,123-,124-,125-,126-,127-,128-,129-/m0/s1" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)[C@H](O)C)[C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1nc[nH]c1)N)C)CC(=O)O)CO)Cc1ccccc1)CO)CC(=O)O)CCC(=O)O)Cc1ccc(cc1)O)CC(=O)N)CC(C)C)CC(=O)O)CC(=O)N)CC(C)C)C)C)CCCNC(=N)N)CC(=O)O)Cc1ccccc1)CC(=O)N)CC(C)C)CCC(=O)N" . "NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)O" . "BONVCUWVEHTDCR-NTNVLEAHSA-N" . "InChI=1S/C169H254N44O56/c1-21-79(11)130(161(261)190-100(48-50-119(172)220)145(245)211-134(86(18)216)165(265)189-98(42-33-34-52-170)144(244)207-133(82(14)24-4)164(264)213-135(87(19)217)166(266)205-116(168(268)269)69-129(235)236)208-156(256)104(56-78(9)10)193-150(250)108(60-92-70-180-97-41-32-31-40-95(92)97)197-152(252)110(63-121(174)222)204-162(262)131(80(12)22-2)209-157(257)107(58-90-38-29-26-30-39-90)195-154(254)114(67-127(231)232)200-142(242)99(43-35-53-179-169(176)177)187-138(238)84(16)183-137(237)83(15)185-146(246)102(54-76(5)6)192-151(251)109(62-120(173)221)198-155(255)115(68-128(233)234)201-147(247)103(55-77(7)8)203-163(263)132(81(13)23-3)210-167(267)136(88(20)218)212-158(258)111(64-122(175)223)199-148(248)106(59-91-44-46-94(219)47-45-91)194-143(243)101(49-51-124(225)226)188-153(253)113(66-126(229)230)202-160(260)118(74-215)206-149(249)105(57-89-36-27-25-28-37-89)196-159(259)117(73-214)186-123(224)72-181-141(241)112(65-125(227)228)191-139(239)85(17)184-140(240)96(171)61-93-71-178-75-182-93/h25-32,36-41,44-47,70-71,75-88,96,98-118,130-136,180,214-219H,21-24,33-35,42-43,48-69,72-74,170-171H2,1-20H3,(H2,172,220)(H2,173,221)(H2,174,222)(H2,175,223)(H,178,182)(H,181,241)(H,183,237)(H,184,240)(H,185,246)(H,186,224)(H,187,238)(H,188,253)(H,189,265)(H,190,261)(H,191,239)(H,192,251)(H,193,250)(H,194,243)(H,195,254)(H,196,259)(H,197,252)(H,198,255)(H,199,248)(H,200,242)(H,201,247)(H,202,260)(H,203,263)(H,204,262)(H,205,266)(H,206,249)(H,207,244)(H,208,256)(H,209,257)(H,210,267)(H,211,245)(H,212,258)(H,213,264)(H,225,226)(H,227,228)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,268,269)(H4,176,177,179)/t79-,80-,81-,82-,83-,84-,85-,86+,87+,88+,96-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,130-,131-,132-,133-,134-,135-,136-/m0/s1" . "CC[N+](CC(=O)Nc1c(C)cccc1C)(CC)[O-]" . "Cc1c(NC(=O)C[N+](CC)(CC)[O-])c(ccc1)C" . "YDVXPJXUHRROBA-UHFFFAOYSA-N" . "InChI=1S/C14H22N2O2/c1-5-16(18,6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)" . "COc1ccc(cn1)[C@H]([C@@H](NC(=O)C1CC1)C)Oc1ccc2c(c1)cnn2c1ccc(cc1)F" . "C[C@@H]([C@@H](c1cnc(cc1)OC)Oc1cc2c(cc1)n(nc2)c1ccc(cc1)F)NC(=O)C1CC1" . "YDRQCGICZKAGCQ-LMKMVOKYSA-N" . "InChI=1S/C26H25FN4O3/c1-16(30-26(32)17-3-4-17)25(18-5-12-24(33-2)28-14-18)34-22-10-11-23-19(13-22)15-29-31(23)21-8-6-20(27)7-9-21/h5-17,25H,3-4H2,1-2H3,(H,30,32)/t16-,25-/m0/s1" . "NCCCC[C@@H](C(=O)Nc1ccc(cc1)COC(=O)NCOCCn1cnc(c1c1ccc2n(n1)c(C#N)cn2)c1ccc(c(c1)Cl)F)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O)CC(C)C)CO" . "Fc1ccc(cc1Cl)c1c(n(CCOCNC(=O)OCc2ccc(NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O)CO)CCCCN)cc2)cn1)c1ccc2n(n1)c(cn2)C#N" . "RRGOOOPOTXFKKZ-UNVBUFFDSA-N" . "InChI=1S/C84H121ClFN17O23/c1-56(2)45-67(99-75(110)53-124-44-42-122-39-36-90-74(109)52-123-43-41-121-38-35-89-70(105)32-29-65(82(116)117)98-72(107)33-30-66(83(118)119)97-71(106)20-15-13-11-9-7-5-3-4-6-8-10-12-14-16-21-76(111)112)81(115)100-68(50-104)79(113)92-49-73(108)96-64(19-17-18-34-87)80(114)95-59-25-22-57(23-26-59)51-126-84(120)94-55-125-40-37-102-54-93-77(58-24-27-62(86)61(85)46-58)78(102)63-28-31-69-91-48-60(47-88)103(69)101-63/h22-28,31,46,48,54,56,64-68,104H,3-21,29-30,32-45,49-53,55,87H2,1-2H3,(H,89,105)(H,90,109)(H,92,113)(H,94,120)(H,95,114)(H,96,108)(H,97,106)(H,98,107)(H,99,110)(H,100,115)(H,111,112)(H,116,117)(H,118,119)/t64-,65-,66-,67-,68-/m0/s1" . "FC1CC(C1)(CNc1ncc(cn1)n1ccc(c1)C(=O)N)c1ncccc1F" . "C1C(CC1(CNc1ncc(cn1)n1ccc(c1)C(=O)N)c1c(cccn1)F)F" . "MQXWPWOCXGARRK-UHFFFAOYSA-N" . "InChI=1S/C19H18F2N6O/c20-13-6-19(7-13,16-15(21)2-1-4-23-16)11-26-18-24-8-14(9-25-18)27-5-3-12(10-27)17(22)28/h1-5,8-10,13H,6-7,11H2,(H2,22,28)(H,24,25,26)" . "O=C(c1ccc2c(c1)CC[C@H]1[C@]2(CC[C@](C1)(O)CCC(F)(F)F)Cc1ccccc1)NCc1cccnc1C" . "[C@H]12CCc3c(ccc(c3)C(=O)NCc3c(C)nccc3)[C@]1(Cc1ccccc1)CC[C@](O)(CCC(F)(F)F)C2" . "KCAXPRFNWUOBNC-RDAHNBDFSA-N" . "InChI=1S/C32H35F3N2O2/c1-22-26(8-5-17-36-22)21-37-29(38)25-10-12-28-24(18-25)9-11-27-20-30(39,14-16-32(33,34)35)13-15-31(27,28)19-23-6-3-2-4-7-23/h2-8,10,12,17-18,27,39H,9,11,13-16,19-21H2,1H3,(H,37,38)/t27-,30+,31+/m1/s1" . "O=C(C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C)NCCCCCNC(=O)Oc1ccc(cc1)C1CCC(=O)NC1=O" . "Cc1sc2c(c1C)C(=N[C@@H](CC(=O)NCCCCCNC(=O)Oc1ccc(cc1)C1CCC(=O)NC1=O)c1nnc(C)n21)c1ccc(Cl)cc1" . "DBLAYWMXROFYQV-CPRJBALCSA-N" . "InChI=1S/C36H38ClN7O5S/c1-20-21(2)50-35-31(20)32(24-7-11-25(37)12-8-24)40-28(33-43-42-22(3)44(33)35)19-30(46)38-17-5-4-6-18-39-36(48)49-26-13-9-23(10-14-26)27-15-16-29(45)41-34(27)47/h7-14,27-28H,4-6,15-19H2,1-3H3,(H,38,46)(H,39,48)(H,41,45,47)/t27?,28-/m0/s1" . "CCCN(C(=O)OCc1n(C)nnc1c1ccc(c(n1)C)O[C@H]1CCC[C@@H](C1)C(=O)O)C" . "Cc1nc(c2c(COC(=O)N(C)CCC)n(C)nn2)ccc1O[C@@H]1C[C@@H](C(=O)O)CCC1" . "UEUNDURNLYLSNB-HOTGVXAUSA-N" . "InChI=1S/C22H31N5O5/c1-5-11-26(3)22(30)31-13-18-20(24-25-27(18)4)17-9-10-19(14(2)23-17)32-16-8-6-7-15(12-16)21(28)29/h9-10,15-16H,5-8,11-13H2,1-4H3,(H,28,29)/t15-,16-/m0/s1" . "ONC(=O)c1ccc(cc1)Cn1nnc(c1)c1ccc(cc1)CN1CCCC1" . "ONC(=O)c1ccc(cc1)Cn1nnc(c1)c1ccc(cc1)CN1CCCC1" . "MTAWGBVDXCFYOF-UHFFFAOYSA-N" . "InChI=1S/C21H23N5O2/c27-21(23-28)19-9-5-17(6-10-19)14-26-15-20(22-24-26)18-7-3-16(4-8-18)13-25-11-1-2-12-25/h3-10,15,28H,1-2,11-14H2,(H,23,27)" . "OCC([C@H](C(=O)NC[C@@H](NC(=O)c1cc(F)c(cc1F)F)C)O)(C)C" . "OCC([C@H](C(=O)NC[C@@H](NC(=O)c1cc(F)c(cc1F)F)C)O)(C)C" . "PRPWMPIRTLCTSC-SDBXPKJASA-N" . "InChI=1S/C16H21F3N2O4/c1-8(6-20-15(25)13(23)16(2,3)7-22)21-14(24)9-4-11(18)12(19)5-10(9)17/h4-5,8,13,22-23H,6-7H2,1-3H3,(H,20,25)(H,21,24)/t8-,13-/m0/s1" . "CC[C@H](C(=O)N)Nc1c(C#N)c(nc2c1ccnc2)c1ccc(cc1)c1cccc(c1F)Cl" . "Clc1c(c(ccc1)c1ccc(cc1)c1nc2cnccc2c(c1C#N)N[C@@H](C(=O)N)CC)F" . "LACMSNCHWBQXEK-HXUWFJFHSA-N" . "InChI=1S/C25H19ClFN5O/c1-2-20(25(29)33)31-24-17-10-11-30-13-21(17)32-23(18(24)12-28)15-8-6-14(7-9-15)16-4-3-5-19(26)22(16)27/h3-11,13,20H,2H2,1H3,(H2,29,33)(H,31,32)/t20-/m1/s1" . "CC[C@H](C(=O)O)Nc1c(C#N)c(nc2c1ccnc2)c1ccc(cc1)c1cccc(c1F)C" . "C(#N)c1c(nc2cnccc2c1N[C@@H](C(=O)O)CC)c1ccc(cc1)c1c(c(ccc1)C)F" . "DVIVLYHDLNAXAT-OAQYLSRUSA-N" . "InChI=1S/C26H21FN4O2/c1-3-21(26(32)33)30-25-19-11-12-29-14-22(19)31-24(20(25)13-28)17-9-7-16(8-10-17)18-6-4-5-15(2)23(18)27/h4-12,14,21H,3H2,1-2H3,(H,30,31)(H,32,33)/t21-/m1/s1" . "O=C([C@@H]1C[C@@H](NS(=O)(=O)N1C)c1ncc(s1)c1ncn(c1)C)Nc1ccc(c(c1)Cl)F" . "Cn1cc(nc1)c1cnc(s1)[C@H]1C[C@H](N(S(=O)(=O)N1)C)C(=O)Nc1cc(c(cc1)F)Cl" . "XVKTYEAUJPZPDZ-HIFRSBDPSA-N" . "InChI=1S/C18H18ClFN6O3S2/c1-25-8-14(22-9-25)16-7-21-18(30-16)13-6-15(26(2)31(28,29)24-13)17(27)23-10-3-4-12(20)11(19)5-10/h3-5,7-9,13,15,24H,6H2,1-2H3,(H,23,27)/t13-,15+/m1/s1" . "Cn1ncc(c1)Nc1nccc(n1)c1ccc2c(c1)CN(CC[C@H]2NC(=O)c1nnn(c1)C(C)(C)C)C1COC1" . "O=C(c1cn(C(C)(C)C)nn1)N[C@H]1c2ccc(c3ccnc(Nc4cn(C)nc4)n3)cc2CN(C2COC2)CC1" . "JSAQBOQCZJHWMA-XMMPIXPASA-N" . "InChI=1S/C28H34N10O2/c1-28(2,3)38-15-25(34-35-38)26(39)32-24-8-10-37(21-16-40-17-21)13-19-11-18(5-6-22(19)24)23-7-9-29-27(33-23)31-20-12-30-36(4)14-20/h5-7,9,11-12,14-15,21,24H,8,10,13,16-17H2,1-4H3,(H,32,39)(H,29,31,33)/t24-/m1/s1" . "COC(=O)c1cnc2n1CCc1c(C2=C2CCN(CC2)CCc2ccc(cc2)OCc2ccc3c(n2)cccc3)cccc1" . "COC(=O)c1cnc2n1CCc1ccccc1C2=C1CCN(CC1)CCc1ccc(cc1)OCc1nc2ccccc2cc1" . "TULGGJGJQXESOO-UHFFFAOYSA-N" . "InChI=1S/C37H36N4O3/c1-43-37(42)34-24-38-36-35(32-8-4-2-6-27(32)19-23-41(34)36)29-17-21-40(22-18-29)20-16-26-10-14-31(15-11-26)44-25-30-13-12-28-7-3-5-9-33(28)39-30/h2-15,24H,16-23,25H2,1H3" . "O[C@H](CN1CCN(CC1)C1c2ccccc2[C@@H]2[C@H](c3c1cccc3)C2(F)F)COc1cccc2c1cccn2" . "C1CN(CCN1C[C@H](COc1cccc2c1cccn2)O)C1c2ccccc2[C@H]2[C@H](C2(F)F)c2ccccc12" . "IHOVFYSQUDPMCN-XAKVHENESA-N" . "InChI=1S/C32H31F2N3O2/c33-32(34)29-22-7-1-3-9-24(22)31(25-10-4-2-8-23(25)30(29)32)37-17-15-36(16-18-37)19-21(38)20-39-28-13-5-12-27-26(28)11-6-14-35-27/h1-14,21,29-31,38H,15-20H2/t21-,29-,30+,31?/m1/s1" . "COc1cc(C(=O)Nc2ccc(cc2)CCN2CCc3c(C2)cc(c(c3)OC)OC)c(cc1OC)NC(=O)c1cnc2c(c1)cccc2" . "COc1c(cc2CN(CCc2c1)CCc1ccc(cc1)NC(=O)c1cc(c(cc1NC(=O)c1cc2ccccc2nc1)OC)OC)OC" . "LGGHDPFKSSRQNS-UHFFFAOYSA-N" . "InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)" . "Cc1cc(Nc2ccc(cc2)C(=O)/C=C/c2ccc3c(c2)cccc3)n2c(n1)nc(n2)SCc1nc2c([nH]1)cccc2" . "Cc1nc2nc(SCc3nc4ccccc4[nH]3)nn2c(Nc2ccc(C(=O)/C=C/c3ccc4ccccc4c3)cc2)c1" . "WGQWRCAZEPAXRA-GZTJUZNOSA-N" . "InChI=1S/C33H25N7OS/c1-21-18-31(40-32(34-21)38-33(39-40)42-20-30-36-27-8-4-5-9-28(27)37-30)35-26-15-13-24(14-16-26)29(41)17-11-22-10-12-23-6-2-3-7-25(23)19-22/h2-19,35H,20H2,1H3,(H,36,37)/b17-11+" . "O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)ccc(c2)N1CCN(CC1)CCC1CCN(CC1)C(=O)CCC(=O)N1CCN(CC1)[C@@H]1CC[C@@H](CC1)Nc1ncnn2c1c(cc2)C(C)C" . "CC(c1c2n(ncnc2N[C@H]2CC[C@H](CC2)N2CCN(CC2)C(=O)CCC(=O)N2CCC(CC2)CCN2CCN(CC2)c2cc3c(cc2)C(=O)N(C3=O)C2C(=O)NC(=O)CC2)cc1)C" . "ZUODKONSNNHSAJ-AMLBMYBGSA-N" . "InChI=1S/C47H63N11O6/c1-31(2)36-16-20-57-43(36)44(48-30-49-57)50-33-3-5-34(6-4-33)53-25-27-56(28-26-53)42(61)12-11-41(60)55-18-14-32(15-19-55)13-17-52-21-23-54(24-22-52)35-7-8-37-38(29-35)47(64)58(46(37)63)39-9-10-40(59)51-45(39)62/h7-8,16,20,29-34,39H,3-6,9-15,17-19,21-28H2,1-2H3,(H,48,49,50)(H,51,59,62)/t33-,34+,39?" . "O[C@H]1CN([C@@H](C1)C(=O)NCc1ccc(cc1)c1scnc1C)C(=O)[C@H](C(C)(C)C)NC(=O)CCCCNC(=O)CCc1ccc(c(n1)C)c1cnc(n2c1nnc2)NCc1c(F)ccc2c1CCO2" . "Fc1ccc2c(CCO2)c1CNc1ncc(c2n1cnn2)c1ccc(nc1C)CCC(=O)NCCCCC(=O)N[C@H](C(=O)N1[C@@H](C[C@H](C1)O)C(=O)NCc1ccc(cc1)c1c(ncs1)C)C(C)(C)C" . "CQSOTYMFUWTIIR-HUSBZTEESA-N" . "InChI=1S/C50H58FN11O6S/c1-29-35(38-25-55-49(62-27-57-60-46(38)62)54-24-37-36-19-21-68-41(36)17-16-39(37)51)15-13-33(58-29)14-18-42(64)52-20-7-6-8-43(65)59-45(50(3,4)5)48(67)61-26-34(63)22-40(61)47(66)53-23-31-9-11-32(12-10-31)44-30(2)56-28-69-44/h9-13,15-17,25,27-28,34,40,45,63H,6-8,14,18-24,26H2,1-5H3,(H,52,64)(H,53,66)(H,54,55)(H,59,65)/t34-,40+,45-/m1/s1" . "OC(=O)c1c2CCCOc3cc(SCc4cc(CSCc5c(c6c(n1C)c2ccc6Cl)c(C)n(n5)C)nn4C)cc1c3cccc1" . "Cc1c2c(nn1C)CSCc1nn(c(c1)CSc1cc3ccccc3c(c1)OCCCc1c(n(c3c1ccc(c23)Cl)C)C(=O)O)C" . "KBQCEQAXHPIRTF-UHFFFAOYSA-N" . "InChI=1S/C35H34ClN5O3S2/c1-20-31-29(38-40(20)3)19-45-17-22-15-23(41(4)37-22)18-46-24-14-21-8-5-6-9-25(21)30(16-24)44-13-7-10-26-27-11-12-28(36)32(31)33(27)39(2)34(26)35(42)43/h5-6,8-9,11-12,14-16H,7,10,13,17-19H2,1-4H3,(H,42,43)" . "CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1ncc(c(c1)c1cnn2c1CC(C2)(C)C)Cl" . "CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1ncc(c(c1)c1c2CC(Cn2nc1)(C)C)Cl" . "AVIWDYSJSPOOAR-LSDHHAIUSA-N" . "InChI=1S/C22H28ClN5O2/c1-13(29)26-15-6-4-5-14(7-15)21(30)27-20-8-16(18(23)11-24-20)17-10-25-28-12-22(2,3)9-19(17)28/h8,10-11,14-15H,4-7,9,12H2,1-3H3,(H,26,29)(H,24,27,30)/t14-,15+/m0/s1" . "OCCN(CC[C@@H](Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@H](c1ccccc1c1ccc(cc1)Cl)O)CSc1ccccc1)C" . "CN(CC[C@H](CSc1ccccc1)Nc1c(cc(cc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)[C@H](c1ccccc1c1ccc(cc1)Cl)O)S(=O)(=O)C(F)(F)F)CCO" . "UNEJSHNDABUZNY-UJNHCCGESA-N" . "InChI=1S/C45H48ClF3N4O7S3/c1-52(27-28-54)24-23-35(30-61-37-7-3-2-4-8-37)50-41-20-19-38(29-42(41)62(57,58)45(47,48)49)63(59,60)51-44(56)33-13-17-36(18-14-33)53-25-21-32(22-26-53)43(55)40-10-6-5-9-39(40)31-11-15-34(46)16-12-31/h2-20,29,32,35,43,50,54-55H,21-28,30H2,1H3,(H,51,56)/t35-,43-/m1/s1" . "CC(C[C@H](C(=O)Nc1ccc(c(c1)OC(F)F)c1cnco1)N)C" . "N[C@@H](C(=O)Nc1cc(c(cc1)c1cnco1)OC(F)F)CC(C)C" . "GCTFTMWXZFLTRR-GFCCVEGCSA-N" . "InChI=1S/C16H19F2N3O3/c1-9(2)5-12(19)15(22)21-10-3-4-11(14-7-20-8-23-14)13(6-10)24-16(17)18/h3-4,6-9,12,16H,5,19H2,1-2H3,(H,21,22)/t12-/m1/s1" . "C[C@@H]1N[C@H](C)CN(C1)c1ncc(c(c1)C)c1ccc(cc1)c1[nH]c(=O)c2c(n1)n(C)cc2" . "C[C@@H]1CN(C[C@@H](N1)C)c1ncc(c(c1)C)c1ccc(cc1)c1nc2c(ccn2C)c(=O)[nH]1" . "WCPTUQOMNJBIET-CALCHBBNSA-N" . "InChI=1S/C25H28N6O/c1-15-11-22(31-13-16(2)27-17(3)14-31)26-12-21(15)18-5-7-19(8-6-18)23-28-24-20(25(32)29-23)9-10-30(24)4/h5-12,16-17,27H,13-14H2,1-4H3,(H,28,29,32)/t16-,17+" . "O=C(CCC(=O)N1CCN2[C@H](C1)COCCOc1cc(Nc3nc2ncc3Cl)cc2c1N(C)C(=O)CC2)NCCCOCCOCCOc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O" . "CN1C(=O)CCc2c1c1cc(Nc3nc(ncc3Cl)N3CCN(C[C@@H]3COCCO1)C(=O)CCC(=O)NCCCOCCOCCOc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c2" . "YQWUMLVLLIWGQJ-UYEDPJPISA-N" . "InChI=1S/C45H52ClN9O12/c1-52-37(58)10-6-27-22-28-23-34(40(27)52)67-21-19-65-26-29-25-53(13-14-54(29)45-48-24-31(46)41(49-28)51-45)38(59)11-9-35(56)47-12-3-15-63-16-17-64-18-20-66-33-5-2-4-30-39(33)44(62)55(43(30)61)32-7-8-36(57)50-42(32)60/h2,4-5,22-24,29,32H,3,6-21,25-26H2,1H3,(H,47,56)(H,48,49,51)(H,50,57,60)/t29-,32?/m1/s1" . "Clc1ccc(cc1)C1=N[C@@H](CC(=O)NCCOCCOCCOCC(COCC(=O)N[C@@H](C(C)(C)C)C(=O)N2C[C@@H](C[C@H]2C(=O)NCc2ccc(cc2)c2scnc2C)O)(COCCOCCOCCNC(=O)C[C@@H]2N=C(c3ccc(cc3)Cl)c3c(n4c2nnc4C)sc(c3C)C)C)c2n(c3c1c(C)c(s3)C)c(nn2)C" . "O[C@@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)COCC(COCCOCCOCCNC(=O)C[C@H]1c2n(c3c(C(=N1)c1ccc(cc1)Cl)c(c(s3)C)C)c(nn2)C)(COCCOCCOCCNC(=O)C[C@H]1c2n(c3c(C(=N1)c1ccc(cc1)Cl)c(c(s3)C)C)c(nn2)C)C)C(=O)NCc1ccc(cc1)c1c(ncs1)C" . "RARNTROXRCXFHV-CMRSQZKGSA-N" . "InChI=1S/C79H98Cl2N14O13S3/c1-46-49(4)110-76-66(46)68(54-16-20-57(80)21-17-54)86-60(72-91-89-51(6)94(72)76)37-63(97)82-24-26-102-28-30-104-32-34-106-42-79(11,44-108-41-65(99)88-71(78(8,9)10)75(101)93-40-59(96)36-62(93)74(100)84-39-53-12-14-56(15-13-53)70-48(3)85-45-109-70)43-107-35-33-105-31-29-103-27-25-83-64(98)38-61-73-92-90-52(7)95(73)77-67(47(2)50(5)111-77)69(87-61)55-18-22-58(81)23-19-55/h12-23,45,59-62,71,96H,24-44H2,1-11H3,(H,82,97)(H,83,98)(H,84,100)(H,88,99)/t59-,60+,61+,62+,71-/m1/s1" . "C[C@H]1SC(=N[C@]([C@H]1F)(C)c1cc(ccc1F)NC(=O)c1ncc2c(c1)OCCO2)N" . "C[C@]1([C@@H](F)[C@@H](C)SC(=N1)N)c1cc(NC(=O)c2ncc3OCCOc3c2)ccc1F" . "LQVIUEMPEFSVOL-CPRIZNHFSA-N" . "InChI=1S/C20H20F2N4O3S/c1-10-17(22)20(2,26-19(23)30-10)12-7-11(3-4-13(12)21)25-18(27)14-8-15-16(9-24-14)29-6-5-28-15/h3-4,7-10,17H,5-6H2,1-2H3,(H2,23,26)(H,25,27)/t10-,17+,20-/m1/s1" . "C=CCn1ccc2c1cccc2C(=O)Oc1cncc(c1)Cl" . "C=CCn1ccc2c1cccc2C(=O)Oc1cc(Cl)cnc1" . "XBVPAGLILYEOGS-UHFFFAOYSA-N" . "InChI=1S/C17H13ClN2O2/c1-2-7-20-8-6-14-15(4-3-5-16(14)20)17(21)22-13-9-12(18)10-19-11-13/h2-6,8-11H,1,7H2" . "C[C@H](c1cccc(c1)c1ccc(s1)CN1CCCC1)NC(=O)c1cc(ccc1C)NC1CNC1" . "C[C@@H](NC(=O)c1c(C)ccc(NC2CNC2)c1)c1cc(c2ccc(CN3CCCC3)s2)ccc1" . "ZTKSBNLNPMUGBL-HXUWFJFHSA-N" . "InChI=1S/C28H34N4OS/c1-19-8-9-23(31-24-16-29-17-24)15-26(19)28(33)30-20(2)21-6-5-7-22(14-21)27-11-10-25(34-27)18-32-12-3-4-13-32/h5-11,14-15,20,24,29,31H,3-4,12-13,16-18H2,1-2H3,(H,30,33)/t20-/m1/s1" . "C[C@H](c1cccc(c1)c1ccc(s1)CNC1CCCC1)NC(=O)c1cc(ccc1C)NC1CNC1" . "C[C@@H](NC(=O)c1c(C)ccc(NC2CNC2)c1)c1cc(c2ccc(CNC3CCCC3)s2)ccc1" . "PKMUHQIDVVOXHQ-HXUWFJFHSA-N" . "InChI=1S/C29H36N4OS/c1-19-10-11-24(33-25-16-30-17-25)15-27(19)29(34)32-20(2)21-6-5-7-22(14-21)28-13-12-26(35-28)18-31-23-8-3-4-9-23/h5-7,10-15,20,23,25,30-31,33H,3-4,8-9,16-18H2,1-2H3,(H,32,34)/t20-/m1/s1" . "CO[C@]1(CCOc2c1cc(F)cc2F)C(=O)Nc1cncc2c1cccc2" . "CO[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2c(F)cc(F)cc12" . "RMXNRMBUTBCRQX-FQEVSTJZSA-N" . "InChI=1S/C20H16F2N2O3/c1-26-20(6-7-27-18-15(20)8-13(21)9-16(18)22)19(25)24-17-11-23-10-12-4-2-3-5-14(12)17/h2-5,8-11H,6-7H2,1H3,(H,24,25)/t20-/m0/s1" . "Cc1nnn(c1c1cnc2c(c1)n([C@H](c1ccccc1)C1CCOCC1)c1c2ccc(c1)C(O)(C)C)C" . "Cn1nnc(C)c1c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1c2ccc(c1)C(C)(C)O" . "KGERZPVQIRYWRK-GDLZYMKVSA-N" . "InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1" . "Clc1ccc(cc1)Cn1c(Nc2ccc(cc2)Oc2ccccn2)nc(=O)n(c1=O)C[C@@H](C(=O)O)C" . "C[C@@H](Cn1c(=O)nc(n(c1=O)Cc1ccc(cc1)Cl)Nc1ccc(cc1)Oc1ccccn1)C(=O)O" . "SKZQFKBIJUXXCG-INIZCTEOSA-N" . "InChI=1S/C25H22ClN5O5/c1-16(22(32)33)14-31-24(34)29-23(30(25(31)35)15-17-5-7-18(26)8-6-17)28-19-9-11-20(12-10-19)36-21-4-2-3-13-27-21/h2-13,16H,14-15H2,1H3,(H,32,33)(H,28,29,34)/t16-/m0/s1" . "N#Cc1ccc(cc1Cl)N([C@@H]1CC[C@H](CC1)NC(=O)c1ccc(cc1)N1CCN(CC1)C1CN(C1)c1ccc2c(c1)C(=O)N(C2=O)C1CCC(=O)NC1=O)C" . "Clc1c(C#N)ccc(N(C)[C@H]2CC[C@@H](CC2)NC(=O)c2ccc(N3CCN(C4CN(C4)c4cc5c(C(=O)N(C6C(=O)NC(=O)CC6)C5=O)cc4)CC3)cc2)c1" . "LUCHABJUYSYJAT-RVWRWSNSSA-N" . "InChI=1S/C41H43ClN8O5/c1-46(30-9-4-26(22-43)35(42)21-30)28-10-5-27(6-11-28)44-38(52)25-2-7-29(8-3-25)47-16-18-48(19-17-47)32-23-49(24-32)31-12-13-33-34(20-31)41(55)50(40(33)54)36-14-15-37(51)45-39(36)53/h2-4,7-9,12-13,20-21,27-28,32,36H,5-6,10-11,14-19,23-24H2,1H3,(H,44,52)(H,45,51,53)/t27-,28-,36?" . "O=C1Nc2cnn(c2c2ccnc(c2)[C@H](CCC[C@H]1C)n1cnc(cc1=O)c1cc(Cl)ccc1n1nnc(c1)Cl)C(F)F" . "C[C@@H]1CCC[C@@H](c2nccc(c2)c2c(cnn2C(F)F)NC1=O)n1cnc(cc1=O)c1c(ccc(c1)Cl)n1cc(nn1)Cl" . "FSWFYCYPTDLKON-CMJOXMDJSA-N" . "InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1" . "CN=C([C@H]1N(C[C@@H](c2c1n(C)nc2)NOS(=O)(=O)O)C(=O)O)NO" . "CN=C([C@@H]1c2c(cnn2C)[C@H](CN1C(=O)O)NOS(=O)(=O)O)NO" . "TVYRNFNEBLNAMJ-XPUUQOCRSA-N" . "InChI=1S/C10H16N6O7S/c1-11-9(13-19)8-7-5(3-12-15(7)2)6(4-16(8)10(17)18)14-23-24(20,21)22/h3,6,8,14,19H,4H2,1-2H3,(H,11,13)(H,17,18)(H,20,21,22)/t6-,8-/m0/s1" . "COc1nc(ccc1n1cnc(c1)C)C1=NO[C@@H]([C@@H](N1)c1ccc(cc1)Cl)C1CC1" . "Clc1ccc([C@@H]2NC(=NO[C@@H]2C2CC2)c2ccc(n3cc(C)nc3)c(OC)n2)cc1" . "IOQORVDNYPOZPL-VQTJNVASSA-N" . "InChI=1S/C22H22ClN5O2/c1-13-11-28(12-24-13)18-10-9-17(25-22(18)29-2)21-26-19(14-5-7-16(23)8-6-14)20(30-27-21)15-3-4-15/h5-12,15,19-20H,3-4H2,1-2H3,(H,26,27)/t19-,20+/m0/s1" . "FC[C@]1(CC[C@@](C(=N1)N)(C)S(=O)(=O)CC)c1cc(ccc1F)NC(=O)c1ncc2c(c1)OC(O2)(F)F" . "CCS(=O)(=O)[C@]1(C)CC[C@](CF)(N=C1N)c1cc(ccc1F)NC(=O)c1cc2OC(F)(F)Oc2cn1" . "NDIQAOIHFVWZJQ-NHCUHLMSSA-N" . "InChI=1S/C22H22F4N4O5S/c1-3-36(32,33)20(2)6-7-21(11-23,30-19(20)27)13-8-12(4-5-14(13)24)29-18(31)15-9-16-17(10-28-15)35-22(25,26)34-16/h4-5,8-10H,3,6-7,11H2,1-2H3,(H2,27,30)(H,29,31)/t20-,21-/m1/s1" . "CCc1c(C#N)c(nc(c1C#N)N1CCC(CC1)N)SC(c1ccccc1)C(=O)N" . "CCc1c(C#N)c(nc(SC(C(=O)N)c2ccccc2)c1C#N)N1CCC(N)CC1" . "KNKHRZYILDZLRE-UHFFFAOYSA-N" . "InChI=1S/C22H24N6OS/c1-2-16-17(12-23)21(28-10-8-15(25)9-11-28)27-22(18(16)13-24)30-19(20(26)29)14-6-4-3-5-7-14/h3-7,15,19H,2,8-11,25H2,1H3,(H2,26,29)" . "O[C@@H]1[C@@H](CCc2ccc3c(c2)nc(c(c3)Br)N)C[C@H]([C@@H]1O)n1ccc2c1ncnc2N" . "C1[C@@H]([C@H]([C@H]([C@@H]1n1ccc2c(ncnc12)N)O)O)CCc1cc2nc(c(cc2cc1)Br)N" . "DBSMLQTUDJVICQ-CJODITQLSA-N" . "InChI=1S/C22H23BrN6O2/c23-15-8-12-3-1-11(7-16(12)28-21(15)25)2-4-13-9-17(19(31)18(13)30)29-6-5-14-20(24)26-10-27-22(14)29/h1,3,5-8,10,13,17-19,30-31H,2,4,9H2,(H2,25,28)(H2,24,26,27)/t13-,17+,18+,19-/m0/s1" . "COC(=O)OCOc1c(=O)ccn2c1C(=O)N1CCOC[C@H]1N2[C@@H]1c2ccccc2SCc2c1ccc(c2F)F" . "COC(=O)OCOc1c2C(=O)N3CCOC[C@H]3N(n2ccc1=O)[C@H]1c2c(CSc3ccccc13)c(c(cc2)F)F" . "RZVPBGBYGMDSBG-GGAORHGYSA-N" . "InChI=1S/C27H23F2N3O7S/c1-36-27(35)39-14-38-25-19(33)8-9-31-24(25)26(34)30-10-11-37-12-21(30)32(31)23-15-6-7-18(28)22(29)17(15)13-40-20-5-3-2-4-16(20)23/h2-9,21,23H,10-14H2,1H3/t21-,23+/m1/s1" . "O=C(Nc1ccc(cc1)Oc1ncnc2c1ccc(c2)N(C)C)NCc1ccc(nc1)C(F)(F)F" . "CN(c1ccc2c(ncnc2c1)Oc1ccc(cc1)NC(=O)NCc1cnc(cc1)C(F)(F)F)C" . "ORYMWWSJZRCUSV-UHFFFAOYSA-N" . "InChI=1S/C24H21F3N6O2/c1-33(2)17-6-9-19-20(11-17)30-14-31-22(19)35-18-7-4-16(5-8-18)32-23(34)29-13-15-3-10-21(28-12-15)24(25,26)27/h3-12,14H,13H2,1-2H3,(H2,29,32,34)" . "CCOC(=O)C1=C(NN2CCN(CC2)CC(F)(F)F)O/C(=C/c2c[nH]c3c2cccn3)/C1=O" . "FC(F)(F)CN1CCN(NC2=C(C(=O)OCC)C(=O)/C(=C/c3c[nH]c4c3cccn4)/O2)CC1" . "DNTVXDZWVOVLOD-GDNBJRDFSA-N" . "InChI=1S/C21H22F3N5O4/c1-2-32-20(31)16-17(30)15(10-13-11-26-18-14(13)4-3-5-25-18)33-19(16)27-29-8-6-28(7-9-29)12-21(22,23)24/h3-5,10-11,27H,2,6-9,12H2,1H3,(H,25,26)/b15-10-" . "C/C=C/C[C@H](C(=O)[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)C" . "C/C=C/C[C@@H](C)C(=O)[C@H]1C(=O)N[C@H](C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)C(C)C" . "YJDYDFNKCBANTM-QCWCSKBGSA-N" . "InChI=1S/C63H111N11O12/c1-26-27-28-41(16)53(76)52-57(80)67-49(38(10)11)61(84)68(19)33-48(75)69(20)44(29-34(2)3)56(79)66-50(39(12)13)62(85)70(21)45(30-35(4)5)55(78)64-42(17)54(77)65-43(18)58(81)71(22)46(31-36(6)7)59(82)72(23)47(32-37(8)9)60(83)73(24)51(40(14)15)63(86)74(52)25/h26-27,34-47,49-52H,28-33H2,1-25H3,(H,64,78)(H,65,77)(H,66,79)(H,67,80)/b27-26+/t41-,42+,43-,44+,45+,46+,47+,49+,50+,51+,52+/m1/s1" . "COC(=O)C1=C(C)NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C" . "CC1=C(C(C(=C(N1)C)C(=O)OCC(=O)C)c1ccccc1[N+](=O)[O-])C(=O)OC" . "NCUCGYYHUFIYNU-UHFFFAOYSA-N" . "InChI=1S/C19H20N2O7/c1-10(22)9-28-19(24)16-12(3)20-11(2)15(18(23)27-4)17(16)13-7-5-6-8-14(13)21(25)26/h5-8,17,20H,9H2,1-4H3" . "OC(=O)CCc1c([nH]cc1C)/C=C/1/C(=O)Nc2c1cccc2" . "Cc1c[nH]c(c1CCC(=O)O)/C=C/1/c2ccccc2NC1=O" . "JNDVEAXZWJIOKB-JYRVWZFOSA-N" . "InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-" . "CNCCCCOc1ccccc1Cc1ccccc1" . "CNCCCCOc1ccccc1Cc1ccccc1" . "QSQQPMHPCBLLGX-UHFFFAOYSA-N" . "InChI=1S/C18H23NO/c1-19-13-7-8-14-20-18-12-6-5-11-17(18)15-16-9-3-2-4-10-16/h2-6,9-12,19H,7-8,13-15H2,1H3" . "COc1cc(cc(c1OC)OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCCc1cccnc1)CCCc1cccnc1" . "COc1cc(cc(c1OC)OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCCc1cnccc1)CCCc1cnccc1" . "CGVWPQOFHSAKRR-NDEPHWFRSA-N" . "InChI=1S/C34H41N3O7/c1-41-29-20-26(21-30(42-2)32(29)43-3)31(38)33(39)37-19-5-4-16-28(37)34(40)44-27(14-6-10-24-12-8-17-35-22-24)15-7-11-25-13-9-18-36-23-25/h8-9,12-13,17-18,20-23,27-28H,4-7,10-11,14-16,19H2,1-3H3/t28-/m0/s1" . "CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1/C=C/C(=O)OC(C)(C)C)C(=O)OCC)C" . "CCOC(=O)C1=C(NC(=C(C1c1ccccc1/C=C/C(=O)OC(C)(C)C)C(=O)OCC)C)C" . "GKQPCPXONLDCMU-CCEZHUSRSA-N" . "InChI=1S/C26H33NO6/c1-8-31-24(29)21-16(3)27-17(4)22(25(30)32-9-2)23(21)19-13-11-10-12-18(19)14-15-20(28)33-26(5,6)7/h10-15,23,27H,8-9H2,1-7H3/b15-14+" . "COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)C" . "CC1=C(C(C(=C(N1)C)C(=O)OCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)c1cc(ccc1)[N+](=O)[O-])C(=O)OC" . "ANEBWFXPVPTEET-UHFFFAOYSA-N" . "InChI=1S/C35H38N4O6/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-16,23,32-33,36H,17-22H2,1-3H3" . "CCCOc1ccc(cc1c1[nH]c(=O)c2c(n1)c(CCC)cn2CC)S(=O)(=O)N1CCN(CC1)CCO" . "CCCc1cn(c2c1nc([nH]c2=O)c1c(ccc(c1)S(=O)(=O)N1CCN(CC1)CCO)OCCC)CC" . "MIJFNYMSCFYZNY-UHFFFAOYSA-N" . "InChI=1S/C26H37N5O5S/c1-4-7-19-18-30(6-3)24-23(19)27-25(28-26(24)33)21-17-20(8-9-22(21)36-16-5-2)37(34,35)31-12-10-29(11-13-31)14-15-32/h8-9,17-18,32H,4-7,10-16H2,1-3H3,(H,27,28,33)" . "OC(=O)CN1C[C@H](SC[C@@H](C1=O)N[C@H](C(=O)O)CCc1ccccc1)c1cccs1" . "C1[C@H](SC[C@@H](C(=O)N1CC(=O)O)N[C@@H](CCc1ccccc1)C(=O)O)c1cccs1" . "KZVWEOXAPZXAFB-BQFCYCMXSA-N" . "InChI=1S/C21H24N2O5S2/c24-19(25)12-23-11-18(17-7-4-10-29-17)30-13-16(20(23)26)22-15(21(27)28)9-8-14-5-2-1-3-6-14/h1-7,10,15-16,18,22H,8-9,11-13H2,(H,24,25)(H,27,28)/t15-,16-,18-/m0/s1" . "CCOC(=O)[C@@H](N[C@H]1CS[C@@H](CN(C1=O)CC(=O)O)c1cccs1)CCc1ccccc1" . "CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CS[C@@H](CN(C1=O)CC(=O)O)c1cccs1" . "FIQOFIRCTOWDOW-BJLQDIEVSA-N" . "InChI=1S/C23H28N2O5S2/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27)/t17-,18-,20-/m0/s1" . "CCOc1ccc(c2c1cccn2)S(=O)(=O)Nc1ccc(cc1C#Cc1cnc(cc1OC)C(=O)O)Cl" . "Clc1ccc(c(c1)C#Cc1c(cc(nc1)C(=O)O)OC)NS(=O)(=O)c1ccc(c2cccnc12)OCC" . "FNBUZGRPJLEIMO-UHFFFAOYSA-N" . "InChI=1S/C26H20ClN3O6S/c1-3-36-22-10-11-24(25-19(22)5-4-12-28-25)37(33,34)30-20-9-8-18(27)13-16(20)6-7-17-15-29-21(26(31)32)14-23(17)35-2/h4-5,8-15,30H,3H2,1-2H3,(H,31,32)" . "CN(c1cc(F)c(cc1C)S(=O)(=O)Cc1cscn1)[C@@H]1CCN(C1)Cc1ccccc1" . "CN([C@@H]1CCN(Cc2ccccc2)C1)c1c(C)cc(c(F)c1)S(=O)(=O)Cc1cscn1" . "NCHSBJMSORBEAV-HXUWFJFHSA-N" . "InChI=1S/C23H26FN3O2S2/c1-17-10-23(31(28,29)15-19-14-30-16-25-19)21(24)11-22(17)26(2)20-8-9-27(13-20)12-18-6-4-3-5-7-18/h3-7,10-11,14,16,20H,8-9,12-13,15H2,1-2H3/t20-/m1/s1" . "O=C1OC[C@@]2(N1)C[C@@H](C2)C(=O)N1CC(C1)OCc1ccc(c(c1)Cl)C" . "Cc1c(Cl)cc(COC2CN(C2)C(=O)[C@H]2C[C@@]3(C2)COC(=O)N3)cc1" . "AKBHYCHPWZPGAH-QGGXVJLZSA-N" . "InChI=1S/C18H21ClN2O4/c1-11-2-3-12(4-15(11)19)9-24-14-7-21(8-14)16(22)13-5-18(6-13)10-25-17(23)20-18/h2-4,13-14H,5-10H2,1H3,(H,20,23)/t13-,18+" . "FC(c1cncc(c1)c1ccc2c(c1)n1c(cn2)nnc1C1=CCCOCC1)F" . "FC(F)c1cncc(c1)c1ccc2ncc3nnc(C4=CCCOCC4)n3c2c1" . "ATKHYZXUMVNCIO-UHFFFAOYSA-N" . "InChI=1S/C21H17F2N5O/c22-20(23)16-8-15(10-24-11-16)14-3-4-17-18(9-14)28-19(12-25-17)26-27-21(28)13-2-1-6-29-7-5-13/h2-4,8-12,20H,1,5-7H2" . "C=CCn1c(=O)c2c(n1c1ccc3c(n1)[C@@](O)(CC)CC3)nc(nc2)Nc1ccc(cc1)N1CCN(CC1)C" . "O=c1n(CC=C)n(c2ccc3CC[C@@](CC)(O)c3n2)c2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc12" . "OXTSYWDBUVRXFF-GDLZYMKVSA-N" . "InChI=1S/C29H34N8O2/c1-4-14-36-27(38)23-19-30-28(31-21-7-9-22(10-8-21)35-17-15-34(3)16-18-35)33-26(23)37(36)24-11-6-20-12-13-29(39,5-2)25(20)32-24/h4,6-11,19,39H,1,5,12-18H2,2-3H3,(H,30,31,33)/t29-/m1/s1" . "C=CC(=O)N1CC[C@@H](C1)Oc1nc(cc2c1cccc2)c1n[nH]c(=O)[nH]1" . "C(=O)(C=C)N1C[C@H](CC1)Oc1nc(cc2ccccc12)c1[nH]c(=O)[nH]n1" . "HIMUHMBGRATXMK-LBPRGKRZSA-N" . "InChI=1S/C18H17N5O3/c1-2-15(24)23-8-7-12(10-23)26-17-13-6-4-3-5-11(13)9-14(19-17)16-20-18(25)22-21-16/h2-6,9,12H,1,7-8,10H2,(H2,20,21,22,25)/t12-/m0/s1" . "COc1ncc(cc1c1ccc(cc1[C@@H]1CC[C@@H]2N1C(=O)O[C@@H]2c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)c1ccc(cc1C)C(=O)O" . "FC(c1cc(cc(c1)C(F)(F)F)[C@@H]1[C@H]2N(C(=O)O1)[C@@H](CC2)c1c(ccc(c1)C(F)(F)F)c1cc(cnc1OC)c1c(cc(C(=O)O)cc1)C)(F)F" . "VYZPBLVSILOWMJ-YTCPBCGMSA-N" . "InChI=1S/C35H25F9N2O5/c1-16-9-17(31(47)48)3-5-23(16)19-12-26(30(50-2)45-15-19)24-6-4-20(33(36,37)38)14-25(24)27-7-8-28-29(51-32(49)46(27)28)18-10-21(34(39,40)41)13-22(11-18)35(42,43)44/h3-6,9-15,27-29H,7-8H2,1-2H3,(H,47,48)/t27-,28-,29+/m0/s1" . "OCCCCCCCCCCCCc1ncc[nH]1" . "OCCCCCCCCCCCCc1ncc[nH]1" . "DOKOVZHOVUEIBQ-UHFFFAOYSA-N" . "InChI=1S/C15H28N2O/c18-14-10-8-6-4-2-1-3-5-7-9-11-15-16-12-13-17-15/h12-13,18H,1-11,14H2,(H,16,17)" . "Clc1cncc(c1c1noc(c1C1=CC2(C1)CCN(CC2)c1ccc2c(c1)c(cc(n2)C(=O)O)C(F)(F)F)C1CC1)Cl" . "C1(CC1)c1c(c(no1)c1c(cncc1Cl)Cl)C1=CC2(C1)CCN(CC2)c1cc2c(cc(nc2cc1)C(=O)O)C(F)(F)F" . "WPGAVSDZYIRUGE-UHFFFAOYSA-N" . "InChI=1S/C30H23Cl2F3N4O3/c31-20-13-36-14-21(32)25(20)26-24(27(42-38-26)15-1-2-15)16-11-29(12-16)5-7-39(8-6-29)17-3-4-22-18(9-17)19(30(33,34)35)10-23(37-22)28(40)41/h3-4,9-11,13-15H,1-2,5-8,12H2,(H,40,41)" . "COc1cc(F)cc(c1)[C@H](NC(=O)[C@H](N1Cc2c(C1=O)cc(cc2)c1nc(ncc1Cl)NC1CCOCC1)C)CO" . "COc1cc(F)cc(c1)[C@@H](CO)NC(=O)[C@@H](C)N1Cc2ccc(cc2C1=O)c1nc(NC2CCOCC2)ncc1Cl" . "BVRGQPJKSKKGIH-PUAOIOHZSA-N" . "InChI=1S/C29H31ClFN5O5/c1-16(27(38)34-25(15-37)19-9-20(31)12-22(10-19)40-2)36-14-18-4-3-17(11-23(18)28(36)39)26-24(30)13-32-29(35-26)33-21-5-7-41-8-6-21/h3-4,9-13,16,21,25,37H,5-8,14-15H2,1-2H3,(H,34,38)(H,32,33,35)/t16-,25-/m1/s1" . "CN[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@H](C[C@H]1C(=O)Nc1c(F)cccc1F)NC(=O)c1ncc(nc1)N1CCN(CC1)CCCOc1cc2ncnc(c2cc1S(=O)(=O)C(C)(C)C)Nc1n[nH]c(c1C)C)C" . "CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)Nc1c(F)cccc1F)NC(=O)c1cnc(cn1)N1CCN(CCCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)C(C)(C)C" . "CHNBEZLJAQUZEX-LFRONEFISA-N" . "InChI=1S/C50H66F2N14O7S/c1-28-29(2)62-63-43(28)61-44-32-22-39(74(71,72)50(7,8)9)38(23-35(32)56-27-57-44)73-20-12-15-64-16-18-65(19-17-64)40-25-54-36(24-55-40)46(68)58-31-21-37(47(69)59-41-33(51)13-11-14-34(41)52)66(26-31)48(70)42(49(4,5)6)60-45(67)30(3)53-10/h11,13-14,22-25,27,30-31,37,42,53H,12,15-21,26H2,1-10H3,(H,58,68)(H,59,69)(H,60,67)(H2,56,57,61,62,63)/t30-,31-,37-,42+/m0/s1" . "O=C1CCC(C(=O)N1)N1Cc2c(C1=O)cccc2CCCCCNC(=O)c1ccc(cc1)NC(=O)[C@@H]1NC2([C@]3([C@H]1c1cccc(c1F)Cl)C(=O)Nc1c3ccc(c1)Cl)CCCCC2" . "Clc1ccc2c(NC(=O)[C@]32C2(CCCCC2)N[C@@H](C(=O)Nc2ccc(C(=O)NCCCCCc4cccc5C(=O)N(Cc45)C4C(=O)NC(=O)CC4)cc2)[C@@H]3c2cccc(Cl)c2F)c1" . "RRSNDVCODIMOFX-MPKOGUQCSA-N" . "InChI=1S/C48H47Cl2FN6O6/c49-29-16-19-34-36(25-29)54-46(63)48(34)39(32-12-8-13-35(50)40(32)51)41(56-47(48)22-4-2-5-23-47)44(61)53-30-17-14-28(15-18-30)42(59)52-24-6-1-3-9-27-10-7-11-31-33(27)26-57(45(31)62)37-20-21-38(58)55-43(37)60/h7-8,10-19,25,37,39,41,56H,1-6,9,20-24,26H2,(H,52,59)(H,53,61)(H,54,63)(H,55,58,60)/t37?,39-,41+,48+/m0/s1" . "O=C1CCC(C(=O)N1)N1Cc2c(C1=O)cccc2CCCCCNC(=O)[C@@H]1NC2([C@]3([C@H]1c1cccc(c1F)Cl)C(=O)Nc1c3ccc(c1)Cl)CCCCC2" . "C1CCC2(CC1)[C@@]1([C@H]([C@@H](N2)C(=O)NCCCCCc2c3CN(C(=O)c3ccc2)C2CCC(=O)NC2=O)c2c(c(ccc2)Cl)F)c2c(cc(cc2)Cl)NC1=O" . "BANRYGZZIMCKNA-OYGJEQPESA-N" . "InChI=1S/C41H42Cl2FN5O5/c42-24-14-15-28-30(21-24)46-39(54)41(28)33(26-12-8-13-29(43)34(26)44)35(48-40(41)18-4-2-5-19-40)37(52)45-20-6-1-3-9-23-10-7-11-25-27(23)22-49(38(25)53)31-16-17-32(50)47-36(31)51/h7-8,10-15,21,31,33,35,48H,1-6,9,16-20,22H2,(H,45,52)(H,46,54)(H,47,50,51)/t31?,33-,35+,41+/m0/s1" . "COc1ccc(cc1)NC(=O)N1CCCCN2[C@@H](C1)[C@H]([C@H]2CN(C)C)c1ccc(cc1)C#Cc1ccccc1" . "COc1ccc(cc1)NC(=O)N1CCCCN2[C@@H](C1)[C@H]([C@H]2CN(C)C)c1ccc(cc1)C#Cc1ccccc1" . "VKRCTZCBMKVHCK-RTOKGZNSSA-N" . "InChI=1S/C33H38N4O2/c1-35(2)23-30-32(27-15-13-26(14-16-27)12-11-25-9-5-4-6-10-25)31-24-36(21-7-8-22-37(30)31)33(38)34-28-17-19-29(39-3)20-18-28/h4-6,9-10,13-20,30-32H,7-8,21-24H2,1-3H3,(H,34,38)/t30-,31+,32+/m1/s1" . "O[C@H]1CN([C@@H](C1)C(=O)N[C@H](c1ccc(cc1)c1scnc1C)C)C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCC(=O)N1CCN(CC1)CC[C@@H](Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)CC1=C(CCC(C1)(C)C)c1ccc(cc1)Cl)CSc1ccccc1" . "Cc1c(scn1)c1ccc(cc1)[C@H](C)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCC(=O)N1CCN(CC1)CC[C@H](CSc1ccccc1)Nc1c(cc(cc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)CC1=C(CCC(C1)(C)C)c1ccc(cc1)Cl)S(=O)(=O)C(F)(F)F)O" . "PXVFFBGSTYQHRO-REQIQPEASA-N" . "InChI=1S/C77H96ClF3N10O10S4/c1-51(53-18-20-55(21-19-53)70-52(2)82-50-103-70)83-73(96)66-44-61(92)48-91(66)74(97)71(75(3,4)5)85-68(93)16-12-9-13-17-69(94)90-42-36-87(37-43-90)35-33-59(49-102-62-14-10-8-11-15-62)84-65-31-30-63(45-67(65)104(98,99)77(79,80)81)105(100,101)86-72(95)56-24-28-60(29-25-56)89-40-38-88(39-41-89)47-57-46-76(6,7)34-32-64(57)54-22-26-58(78)27-23-54/h8,10-11,14-15,18-31,45,50-51,59,61,66,71,84,92H,9,12-13,16-17,32-44,46-49H2,1-7H3,(H,83,96)(H,85,93)(H,86,95)/t51-,59+,61+,66-,71+/m0/s1" . "CNC1(CCCCC1=O)c1ccccc1" . "CNC1(CCCCC1=O)c1ccccc1" . "ZAGBSZSITDFFAF-UHFFFAOYSA-N" . "InChI=1S/C13H17NO/c1-14-13(10-6-5-9-12(13)15)11-7-3-2-4-8-11/h2-4,7-8,14H,5-6,9-10H2,1H3" . "N#Cc1cccc(c1)C(=O)c1cnc(nc1)NC1(CC1)c1cncnc1" . "O=C(c1cc(ccc1)C#N)c1cnc(NC2(CC2)c2cncnc2)nc1" . "OJUWWGHSEBTYGS-UHFFFAOYSA-N" . "InChI=1S/C19H14N6O/c20-7-13-2-1-3-14(6-13)17(26)15-8-23-18(24-9-15)25-19(4-5-19)16-10-21-12-22-11-16/h1-3,6,8-12H,4-5H2,(H,23,24,25)" . "CCn1c(CNC(=O)c2nc(Cl)cnc2N)[n+](c2c1cc(OCC(=O)NCCOCP(=O)(C)C)cc2)CC" . "CCn1c(CNC(=O)c2nc(Cl)cnc2N)[n+](CC)c2ccc(OCC(=O)NCCOCP(=O)(C)C)cc12" . "DXVNYGRCASBPNU-UHFFFAOYSA-O" . "InChI=1S/C24H33ClN7O5P/c1-5-31-17-8-7-16(37-14-20(33)27-9-10-36-15-38(3,4)35)11-18(17)32(6-2)21(31)13-29-24(34)22-23(26)28-12-19(25)30-22/h7-8,11-12H,5-6,9-10,13-15H2,1-4H3,(H3-,26,27,28,29,33,34)/p+1" . "O=C(CSc1nnc(s1)NCc1ccccc1)NCC1CCCCC1" . "C1CCC(CC1)CNC(=O)CSc1nnc(s1)NCc1ccccc1" . "XBAZPYFIYYCZBO-UHFFFAOYSA-N" . "InChI=1S/C18H24N4OS2/c23-16(19-11-14-7-3-1-4-8-14)13-24-18-22-21-17(25-18)20-12-15-9-5-2-6-10-15/h2,5-6,9-10,14H,1,3-4,7-8,11-13H2,(H,19,23)(H,20,21)" . "COC[C@H](C(=O)Nc1cccc2c1[nH]cc2c1nc(ncc1F)Nc1cccc(c1F)S(=O)(=O)C)N1CCN(CC1)C" . "COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c1[nH]cc2c1c(F)cnc(Nc2c(F)c(ccc2)S(=O)(=O)C)n1" . "JNUZADQZHYFJGW-JOCHJYFZSA-N" . "InChI=1S/C28H31F2N7O4S/c1-36-10-12-37(13-11-36)22(16-41-2)27(38)33-21-8-4-6-17-18(14-31-26(17)21)25-19(29)15-32-28(35-25)34-20-7-5-9-23(24(20)30)42(3,39)40/h4-9,14-15,22,31H,10-13,16H2,1-3H3,(H,33,38)(H,32,34,35)/t22-/m1/s1" . "CNCCOc1ccccc1C1(CC1)Nc1nccn(c1=O)c1cc(cc(c1C)F)C(=O)NC1CC1" . "Cc1c(cc(cc1F)C(=O)NC1CC1)n1ccnc(c1=O)NC1(CC1)c1ccccc1OCCNC" . "NNKPHNTWNILINE-UHFFFAOYSA-N" . "InChI=1S/C27H30FN5O3/c1-17-21(28)15-18(25(34)31-19-7-8-19)16-22(17)33-13-11-30-24(26(33)35)32-27(9-10-27)20-5-3-4-6-23(20)36-14-12-29-2/h3-6,11,13,15-16,19,29H,7-10,12,14H2,1-2H3,(H,30,32)(H,31,34)" . "O[C@@H]([C@@H](NC(=O)c1cc(cc(c1)N(S(=O)(=O)C)C)C(=O)N[C@@H](c1ccccc1)C)Cc1ccccc1)CNC1CC1" . "C[C@H](c1ccccc1)NC(=O)c1cc(cc(c1)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](CNC1CC1)O" . "VPNIQGRFZCTBEZ-SPTGULJVSA-N" . "InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1" . "O=C([C@@H]1N(Cc2c1ccc(c2)S(=O)(=O)C)C(=O)C)Nc1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O" . "FC(F)(F)C(O)(C(F)(F)F)c1ccc(cc1)NC(=O)[C@@H]1N(Cc2c1ccc(c2)S(=O)(=O)C)C(=O)C" . "QYYZXEPEVBXNNA-QGZVFWFLSA-N" . "InChI=1S/C21H18F6N2O5S/c1-11(30)29-10-12-9-15(35(2,33)34)7-8-16(12)17(29)18(31)28-14-5-3-13(4-6-14)19(32,20(22,23)24)21(25,26)27/h3-9,17,32H,10H2,1-2H3,(H,28,31)/t17-/m1/s1" . "COc1cn(c(=O)cc1c1cc(Cl)ccc1n1nnc(c1)C(F)(F)F)[C@H](C(=O)Nc1ccc(c(c1)F)C(=O)N)CC" . "O=C(Nc1cc(F)c(C(=O)N)cc1)[C@H](CC)n1cc(OC)c(cc1=O)c1cc(Cl)ccc1n1cc(C(F)(F)F)nn1" . "XYWIPYBIIRTJMM-IBGZPJMESA-N" . "InChI=1S/C26H21ClF4N6O4/c1-3-19(25(40)33-14-5-6-15(24(32)39)18(28)9-14)36-11-21(41-2)17(10-23(36)38)16-8-13(27)4-7-20(16)37-12-22(34-35-37)26(29,30)31/h4-12,19H,3H2,1-2H3,(H2,32,39)(H,33,40)/t19-/m0/s1" . "N#CC1(CCN(C1=O)c1cc(C)nc(c1)C(=O)NCc1cc(F)cc(c1)c1cnn(c1)C)C1(C)CC1" . "N#CC1(CCN(C1=O)c1cc(C)nc(c1)C(=O)NCc1cc(F)cc(c1)c1cnn(c1)C)C1(C)CC1" . "PFICVJYRZDMEIX-UHFFFAOYSA-N" . "InChI=1S/C27H27FN6O2/c1-17-8-22(34-7-6-27(16-29,25(34)36)26(2)4-5-26)12-23(32-17)24(35)30-13-18-9-19(11-21(28)10-18)20-14-31-33(3)15-20/h8-12,14-15H,4-7,13H2,1-3H3,(H,30,35)" . "CCCCC1(CCCC)CS(=O)(=O)c2c([C@H]([C@H]1O)c1ccc(cc1)OCc1ccc(cc1)C[N+]13CCN(CC1)CC3)cc(cc2)N(C)C" . "CCCCC1(CS(=O)(=O)c2c(cc(cc2)N(C)C)[C@H]([C@H]1O)c1ccc(cc1)OCc1ccc(cc1)C[N+]12CCN(CC1)CC2)CCCC" . "STPKWKPURVSAJF-LJEWAXOPSA-N" . "InChI=1S/C40H56N3O4S/c1-5-7-19-40(20-8-6-2)30-48(45,46)37-18-15-34(41(3)4)27-36(37)38(39(40)44)33-13-16-35(17-14-33)47-29-32-11-9-31(10-12-32)28-43-24-21-42(22-25-43)23-26-43/h9-18,27,38-39,44H,5-8,19-26,28-30H2,1-4H3/q+1/t38-,39-/m1/s1" . "Fc1ccc(cc1)CNC(=O)N1CCN2[C@H](C1)C(OC2=O)(c1ccccc1)c1ccccc1" . "Fc1ccc(CNC(=O)N2CCN3[C@H](C2)C(OC3=O)(c2ccccc2)c2ccccc2)cc1" . "SFRQIPRTNYHJHP-HSZRJFAPSA-N" . "InChI=1S/C26H24FN3O3/c27-22-13-11-19(12-14-22)17-28-24(31)29-15-16-30-23(18-29)26(33-25(30)32,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18H2,(H,28,31)/t23-/m1/s1" . "CNc1ncnc2c1ncn2[C@@H]1SC[C@H]([C@H]1O)N" . "O[C@H]1[C@@H](SC[C@H]1N)n1cnc2c(ncnc12)NC" . "MEYWNRDHEXYZIX-VISXPRAWSA-N" . "InChI=1S/C10H14N6OS/c1-12-8-6-9(14-3-13-8)16(4-15-6)10-7(17)5(11)2-18-10/h3-5,7,10,17H,2,11H2,1H3,(H,12,13,14)/t5-,7-,10-/m1/s1" . "Cc1c[nH]nc1" . "Cc1c[nH]nc1" . "RIKMMFOAQPJVMX-UHFFFAOYSA-N" . "InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)" . "NC(=N)NC(=O)c1cc(C#Cc2ccc(c(c2)C(=O)Nc2ccccn2)C(F)(F)F)cc(c1)C(F)(F)F" . "NC(=N)NC(=O)c1cc(C#Cc2ccc(c(c2)C(=O)Nc2ccccn2)C(F)(F)F)cc(c1)C(F)(F)F" . "GGTONGQHYUQSBR-UHFFFAOYSA-N" . "InChI=1S/C24H15F6N5O2/c25-23(26,27)16-10-14(9-15(12-16)20(36)35-22(31)32)5-4-13-6-7-18(24(28,29)30)17(11-13)21(37)34-19-3-1-2-8-33-19/h1-3,6-12H,(H,33,34,37)(H4,31,32,35,36)" . "CN([C@H]([C@@H](Nc1nn2c(C)nnc2c2c1cccc2)C)c1ccccc1)C" . "CN([C@H]([C@@H](Nc1nn2c(C)nnc2c2c1cccc2)C)c1ccccc1)C" . "MSFPLTWUFWOKBX-IFXJQAMLSA-N" . "InChI=1S/C21H24N6/c1-14(19(26(3)4)16-10-6-5-7-11-16)22-20-17-12-8-9-13-18(17)21-24-23-15(2)27(21)25-20/h5-14,19H,1-4H3,(H,22,25)/t14-,19+/m0/s1" . "O=Cc1cc(ccc1OCC(=O)N(C)C)c1cccc2c1cn[nH]2" . "C(=O)c1cc(ccc1OCC(=O)N(C)C)c1cccc2c1cn[nH]2" . "IXTRHVKNNCAPDT-UHFFFAOYSA-N" . "InChI=1S/C18H17N3O3/c1-21(2)18(23)11-24-17-7-6-12(8-13(17)10-22)14-4-3-5-16-15(14)9-19-20-16/h3-10H,11H2,1-2H3,(H,19,20)" . "OC[C@@H](NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)OCc1ccccc1)C[C@@H]1CCNC1=O" . "OC[C@H](C[C@H]1C(=O)NCC1)NC(=O)[C@@H]1[C@H]2C([C@H]2CN1C(=O)OCc1ccccc1)(C)C" . "KXNVRILCTPCDNL-VMXHOPILSA-N" . "InChI=1S/C23H31N3O5/c1-23(2)17-11-26(22(30)31-13-14-6-4-3-5-7-14)19(18(17)23)21(29)25-16(12-27)10-15-8-9-24-20(15)28/h3-7,15-19,27H,8-13H2,1-2H3,(H,24,28)(H,25,29)/t15-,16-,17-,18-,19-/m0/s1" . "N#Cc1c(ncnc1N)N[C@H](c1cc2ncc(n2nc1c1ccccc1)Cl)C" . "C[C@@H](c1cc2ncc(n2nc1c1ccccc1)Cl)Nc1ncnc(c1C#N)N" . "WKDBRCUUDXLTIM-NSHDSACASA-N" . "InChI=1S/C19H15ClN8/c1-11(26-19-14(8-21)18(22)24-10-25-19)13-7-16-23-9-15(20)28(16)27-17(13)12-5-3-2-4-6-12/h2-7,9-11H,1H3,(H3,22,24,25,26)/t11-/m0/s1" . "Clc1cccc2c1nc(cc2)Nc1ccc(cc1)OC(F)(F)F" . "Clc1cccc2ccc(nc12)Nc1ccc(cc1)OC(F)(F)F" . "OZOGDCZJYVSUBR-UHFFFAOYSA-N" . "InChI=1S/C16H10ClF3N2O/c17-13-3-1-2-10-4-9-14(22-15(10)13)21-11-5-7-12(8-6-11)23-16(18,19)20/h1-9H,(H,21,22)" . "O=C(O[C@@H]1CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CC[C@@]1(C2[C@@H](CC1)[C@@H](O)C)C(=O)O)C)C)NC1CC1" . "CC1(C)[C@H](OC(=O)NC2CC2)CC[C@@]2(C)C1CC[C@]1(C)C2CCC2[C@@]1(C)CC[C@]1(C(=O)O)C2[C@H]([C@H](C)O)CC1" . "NZSQBRZWARZNQH-ZWOACCQCSA-N" . "InChI=1S/C33H53NO5/c1-19(35)21-11-16-33(27(36)37)18-17-31(5)22(26(21)33)9-10-24-30(4)14-13-25(39-28(38)34-20-7-8-20)29(2,3)23(30)12-15-32(24,31)6/h19-26,35H,7-18H2,1-6H3,(H,34,38)(H,36,37)/t19-,21-,22?,23?,24?,25+,26?,30-,31+,32+,33-/m0/s1" . "CCCC(=O)O[C@@H]1CC[C@]2(C(C1(C)C)CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@@]1([C@@H]2[C@@H](CC1)C(C)C)C(=O)O)C)C" . "C[C@]12C(CC[C@]3(C)[C@@H]1CC[C@H]1[C@@]3(C)CC[C@]3(C(=O)O)[C@@H]1[C@H](C(C)C)CC3)C(C)(C)[C@H](OC(=O)CCC)CC2" . "XQYINMZHVRUGDM-LSPHDCIISA-N" . "InChI=1S/C34H56O4/c1-9-10-27(35)38-26-15-16-31(6)24(30(26,4)5)14-17-33(8)25(31)12-11-23-28-22(21(2)3)13-18-34(28,29(36)37)20-19-32(23,33)7/h21-26,28H,9-20H2,1-8H3,(H,36,37)/t22-,23+,24?,25+,26+,28+,31-,32+,33+,34-/m0/s1" . "COc1cc(cnc1OC)N1C(=O)N(Cc2c(F)cc(cc2F)F)c2c(S1(=O)=O)cccn2" . "COc1cc(cnc1OC)N1S(=O)(=O)c2c(N(C1=O)Cc1c(cc(cc1F)F)F)nccc2" . "SUQZCEUKWPKXEE-UHFFFAOYSA-N" . "InChI=1S/C20H15F3N4O5S/c1-31-16-8-12(9-25-19(16)32-2)27-20(28)26(10-13-14(22)6-11(21)7-15(13)23)18-17(33(27,29)30)4-3-5-24-18/h3-9H,10H2,1-2H3" . "Clc1ccc(cc1)c1cnc2c(c1)C[C@@]1([C@@]34[C@H]2Oc2c4c(C[C@H]1N(CC3)C)ccc2O)OCCCc1ccccc1" . "CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@]2(Cc1c4ncc(c1)c1ccc(Cl)cc1)OCCCc1ccccc1)c35" . "AQMQWKFSMIRRJA-OGICNVKRSA-N" . "InChI=1S/C35H33ClN2O3/c1-38-16-15-34-30-24-11-14-28(39)32(30)41-33(34)31-25(18-26(21-37-31)23-9-12-27(36)13-10-23)20-35(34,29(38)19-24)40-17-5-8-22-6-3-2-4-7-22/h2-4,6-7,9-14,18,21,29,33,39H,5,8,15-17,19-20H2,1H3/t29-,33+,34+,35-/m1/s1" . "Clc1ccc(cc1)c1c2OCCN(C(=O)c2nn1c1ccccc1Cl)CC(F)(F)C" . "Clc1c(cccc1)n1nc2C(=O)N(CCOc2c1c1ccc(cc1)Cl)CC(C)(F)F" . "FJMQJSUOOGOWBD-UHFFFAOYSA-N" . "InChI=1S/C21H17Cl2F2N3O2/c1-21(24,25)12-27-10-11-30-19-17(20(27)29)26-28(16-5-3-2-4-15(16)23)18(19)13-6-8-14(22)9-7-13/h2-9H,10-12H2,1H3" . "OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)[C@H](O)C)Cc1ccc(cc1)O)CC(=O)N)[C@H](O)C)[C@H](O)C)[C@H](O)C)NC(=O)[C@H](N)C" . "C[C@H]([C@@H](C(=O)N)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@@H](C)N)O" . "AKWRNBWMGFUAMF-ZESMOPTKSA-N" . "InChI=1S/C35H56N10O15/c1-13(36)29(54)41-22(12-46)32(57)43-26(16(4)49)34(59)45-27(17(5)50)35(60)44-25(15(3)48)33(58)40-21(11-23(37)52)30(55)39-20(10-18-6-8-19(51)9-7-18)31(56)42-24(14(2)47)28(38)53/h6-9,13-17,20-22,24-27,46-51H,10-12,36H2,1-5H3,(H2,37,52)(H2,38,53)(H,39,55)(H,40,58)(H,41,54)(H,42,56)(H,43,57)(H,44,60)(H,45,59)/t13-,14-,15-,16-,17-,20+,21+,22+,24+,25+,26+,27+/m1/s1" . "O=C(N([C@@H](c1ccccc1)CN1CCCC1)C)Cc1ccc(c(c1)Cl)Cl" . "Clc1cc(ccc1Cl)CC(=O)N([C@H](CN1CCCC1)c1ccccc1)C" . "AEJOEPSMZCEYJN-HXUWFJFHSA-N" . "InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3/t20-/m1/s1" . "CNC(=O)c1cc(cc2c1OC[C@@]2(C)c1ccccc1)C(=O)N[C@@H]1[C@@H]2[C@H]1C[C@H](C2)O" . "CNC(=O)c1cc(cc2c1OC[C@@]2(C)c1ccccc1)C(=O)N[C@@H]1[C@H]2C[C@H](O)C[C@@H]12" . "FNHHVPPSBFQMEL-HURDOVMISA-N" . "InChI=1S/C24H26N2O4/c1-24(14-6-4-3-5-7-14)12-30-21-18(23(29)25-2)8-13(9-19(21)24)22(28)26-20-16-10-15(27)11-17(16)20/h3-9,15-17,20,27H,10-12H2,1-2H3,(H,25,29)(H,26,28)/t15-,16-,17+,20+,24-/m0/s1" . "CCCOc1nc(OCC(O)(C)C)c(cc1CO)c1ccc(cc1)S(=O)(=O)C" . "O=S(=O)(c1ccc(cc1)c1c(OCC(O)(C)C)nc(OCCC)c(CO)c1)C" . "MIGCLPHEGAEITL-UHFFFAOYSA-N" . "InChI=1S/C20H27NO6S/c1-5-10-26-18-15(12-22)11-17(19(21-18)27-13-20(2,3)23)14-6-8-16(9-7-14)28(4,24)25/h6-9,11,22-23H,5,10,12-13H2,1-4H3" . "COc1cc(F)ccc1c1cc(ncc1F)Nc1nccc(c1)C[S@](=O)(=N)C" . "COc1cc(F)ccc1c1cc(Nc2cc(C[S@@](=N)(=O)C)ccn2)ncc1F" . "YZCUMZWULWOUMD-NDEPHWFRSA-N" . "InChI=1S/C19H18F2N4O2S/c1-27-17-8-13(20)3-4-14(17)15-9-19(24-10-16(15)21)25-18-7-12(5-6-23-18)11-28(2,22)26/h3-10,22H,11H2,1-2H3,(H,23,24,25)/t28-/m0/s1" . "O=C(Cn1nnc2c(c1=O)cccc2)N[C@H](c1ccc(cc1)OC(F)(F)F)C" . "O=c1c2c(nnn1CC(=O)N[C@@H](C)c1ccc(cc1)OC(F)(F)F)cccc2" . "JZGLECLGVQRPPI-NSHDSACASA-N" . "InChI=1S/C18H15F3N4O3/c1-11(12-6-8-13(9-7-12)28-18(19,20)21)22-16(26)10-25-17(27)14-4-2-3-5-15(14)23-24-25/h2-9,11H,10H2,1H3,(H,22,26)/t11-/m0/s1" . "COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)c1cccc(c1Cl)c1cccc(c1Cl)c1cnc(c(n1)OC)CNC[C@@H]1CCC(=O)N1" . "COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)c1cccc(c1Cl)c1c(c(ccc1)c1cnc(c(n1)OC)CNC[C@@H]1CCC(=O)N1)Cl" . "OIIOPWHTJZYKIL-PMACEKPBSA-N" . "InChI=1S/C34H36Cl2N8O4/c1-47-33-27(15-37-13-19-9-11-29(45)41-19)39-17-25(43-33)23-7-3-5-21(31(23)35)22-6-4-8-24(32(22)36)26-18-40-28(34(44-26)48-2)16-38-14-20-10-12-30(46)42-20/h3-8,17-20,37-38H,9-16H2,1-2H3,(H,41,45)(H,42,46)/t19-,20-/m0/s1" . "NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2c(c1)OC[C@H]2CC(=O)N[C@H](C(=O)O)CC(=O)O" . "N(C(=N)N)c1ccc(C(=O)Oc2cc3c([C@@H](CO3)CC(=O)N[C@@H](CC(=O)O)C(=O)O)cc2)cc1" . "PUZUTMLAAWVCCV-WBMJQRKESA-N" . "InChI=1S/C22H22N4O8/c23-22(24)25-13-3-1-11(2-4-13)21(32)34-14-5-6-15-12(10-33-17(15)8-14)7-18(27)26-16(20(30)31)9-19(28)29/h1-6,8,12,16H,7,9-10H2,(H,26,27)(H,28,29)(H,30,31)(H4,23,24,25)/t12-,16+/m1/s1" . "OC(=O)CC1ON=C(C1)c1ccccc1" . "C1C(ON=C1c1ccccc1)CC(=O)O" . "MUFJHYRCIHHATF-UHFFFAOYSA-N" . "InChI=1S/C11H11NO3/c13-11(14)7-9-6-10(12-15-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)" . "Fc1cnc(c(c1)F)COc1cc(C)n(c(=O)c1Cl)c1cc(ncc1C)c1ccnc(n1)C(O)(C)C" . "Cc1cc(OCc2ncc(F)cc2F)c(Cl)c(=O)n1c1cc(ncc1C)c1nc(ncc1)C(C)(C)O" . "FQPQMJULRZINPV-UHFFFAOYSA-N" . "InChI=1S/C25H22ClF2N5O3/c1-13-10-30-18(17-5-6-29-24(32-17)25(3,4)35)9-20(13)33-14(2)7-21(22(26)23(33)34)36-12-19-16(28)8-15(27)11-31-19/h5-11,35H,12H2,1-4H3" . "Ic1ccc(c(c1)Cl)Nc1c(ccc(c1F)F)C(=O)O" . "Clc1c(Nc2c(C(=O)O)ccc(c2F)F)ccc(c1)I" . "XCNBGWKQXRQKSA-UHFFFAOYSA-N" . "InChI=1S/C13H7ClF2INO2/c14-8-5-6(17)1-4-10(8)18-12-7(13(19)20)2-3-9(15)11(12)16/h1-5,18H,(H,19,20)" . "COCc1ccc(cc1)NC(=O)c1c(C#CCN2CCOCC2)n(c2c1c(N)ncn2)C1(C)CC1" . "Nc1c2c(ncn1)n(c(c2C(=O)Nc1ccc(cc1)COC)C#CCN1CCOCC1)C1(CC1)C" . "SFXVRNLGOSAWIV-UHFFFAOYSA-N" . "InChI=1S/C26H30N6O3/c1-26(9-10-26)32-20(4-3-11-31-12-14-35-15-13-31)21(22-23(27)28-17-29-24(22)32)25(33)30-19-7-5-18(6-8-19)16-34-2/h5-8,17H,9-16H2,1-2H3,(H,30,33)(H2,27,28,29)" . "Cn1nc2c(c1)cc(c(c2)F)C(c1nnc2n1nc(cc2)c1cnn(c1)C1CC1)(F)F" . "Cn1cc2cc(c(cc2n1)F)C(c1nnc2n1nc(cc2)c1cn(nc1)C1CC1)(F)F" . "QHXLXUIZUCJRKV-UHFFFAOYSA-N" . "InChI=1S/C20H15F3N8/c1-29-9-11-6-14(15(21)7-17(11)27-29)20(22,23)19-26-25-18-5-4-16(28-31(18)19)12-8-24-30(10-12)13-2-3-13/h4-10,13H,2-3H2,1H3" . "C=CC(=O)Nc1cc2c(ncnc2cc1OCCN1CCOCC1)Nc1ccc(c(c1)Cl)OCc1ccccn1" . "C=CC(=O)Nc1c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)OCc1ccccn1)Cl)OCCN1CCOCC1" . "HIBPKFXWOPYJPZ-UHFFFAOYSA-N" . "InChI=1S/C29H29ClN6O4/c1-2-28(37)35-25-16-22-24(17-27(25)39-14-11-36-9-12-38-13-10-36)32-19-33-29(22)34-20-6-7-26(23(30)15-20)40-18-21-5-3-4-8-31-21/h2-8,15-17,19H,1,9-14,18H2,(H,35,37)(H,32,33,34)" . "OCCONC(=O)c1cc2scnc2c(c1Nc1ccc(cc1F)I)F" . "Fc1c(c(cc2c1ncs2)C(=O)NOCCO)Nc1c(cc(cc1)I)F" . "UFZJUVFSSINETF-UHFFFAOYSA-N" . "InChI=1S/C16H12F2IN3O3S/c17-10-5-8(19)1-2-11(10)21-14-9(16(24)22-25-4-3-23)6-12-15(13(14)18)20-7-26-12/h1-2,5-7,21,23H,3-4H2,(H,22,24)" . "COC[C@H]1Cn2cc(nc2C(=O)N1Cc1ccc(c(c1)F)F)c1nc(ncc1C)Nc1ccnn1C" . "Fc1cc(ccc1F)CN1C(=O)c2n(C[C@@H]1COC)cc(n2)c1nc(ncc1C)Nc1ccnn1C" . "HVIGNZUDBVLTLU-MRXNPFEDSA-N" . "InChI=1S/C24H24F2N8O2/c1-14-9-27-24(30-20-6-7-28-32(20)2)31-21(14)19-12-33-11-16(13-36-3)34(23(35)22(33)29-19)10-15-4-5-17(25)18(26)8-15/h4-9,12,16H,10-11,13H2,1-3H3,(H,27,30,31)/t16-/m1/s1" . "COc1c(OC)ccc2c1c[n+]1CCc3c(c1c2)cc1c(c3)OCO1" . "COc1c(OC)ccc2c1c[n+]1CCc3c(c1c2)cc1c(c3)OCO1" . "YBHILYKTIRIUTE-UHFFFAOYSA-N" . "InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1" . "C=CC(=O)Nc1cc(Nc2nccc(n2)Nc2cc(Cl)c(cc2C(O)(C)C)F)c(cc1N1CC[C@H](C1)N(C)C)OC" . "Clc1c(cc(c(Nc2nc(ncc2)Nc2c(cc(c(c2)NC(=O)C=C)N2C[C@@H](CC2)N(C)C)OC)c1)C(C)(C)O)F" . "BTMKEDDEMKKSEF-QGZVFWFLSA-N" . "InChI=1S/C29H35ClFN7O3/c1-7-27(39)34-22-14-23(25(41-6)15-24(22)38-11-9-17(16-38)37(4)5)35-28-32-10-8-26(36-28)33-21-13-19(30)20(31)12-18(21)29(2,3)40/h7-8,10,12-15,17,40H,1,9,11,16H2,2-6H3,(H,34,39)(H2,32,33,35,36)/t17-/m1/s1" . "O=C(Nc1c(F)cc(cc1F)F)Nc1ccc(c(c1)F)c1ccc(c2c1CNC2=O)c1[nH]cc(n1)C" . "Fc1cc(ccc1c1c2CNC(=O)c2c(cc1)c1[nH]cc(n1)C)NC(=O)Nc1c(cc(cc1F)F)F" . "MWHHJYUHCZWSLS-UHFFFAOYSA-N" . "InChI=1S/C25H17F4N5O2/c1-11-9-30-23(32-11)16-5-4-14(17-10-31-24(35)21(16)17)15-3-2-13(8-18(15)27)33-25(36)34-22-19(28)6-12(26)7-20(22)29/h2-9H,10H2,1H3,(H,30,32)(H,31,35)(H2,33,34,36)" . "N#CCC1(CN(C1)S(=O)(=O)C1CC1)n1ncc(c1)c1ncnc2c1cc[nH]2" . "C1CC1S(=O)(=O)N1CC(C1)(CC#N)n1cc(cn1)c1c2cc[nH]c2ncn1" . "RVOUEXFKIYNODQ-UHFFFAOYSA-N" . "InChI=1S/C17H17N7O2S/c18-5-4-17(9-23(10-17)27(25,26)13-1-2-13)24-8-12(7-22-24)15-14-3-6-19-16(14)21-11-20-15/h3,6-8,11,13H,1-2,4,9-10H2,(H,19,20,21)" . "[O-][N+](=O)c1cc(C)c(cc1NS(=O)(=O)c1cccc(c1)C(=O)O)c1cccnc1" . "[O-][N+](=O)c1cc(C)c(cc1NS(=O)(=O)c1cccc(c1)C(=O)O)c1cccnc1" . "QUQGQIASFYWKAB-UHFFFAOYSA-N" . "InChI=1S/C19H15N3O6S/c1-12-8-18(22(25)26)17(10-16(12)14-5-3-7-20-11-14)21-29(27,28)15-6-2-4-13(9-15)19(23)24/h2-11,21H,1H3,(H,23,24)" . "C=CC(=O)N1CC[C@@H](C1)n1nc(c(c1NC)C(=O)N)C#Cc1cc(OC)cc(c1)OC" . "CNc1c(c(nn1[C@H]1CCN(C1)C(=O)C=C)C#Cc1cc(cc(c1)OC)OC)C(=O)N" . "QFUIJOBJAQBGDH-HNNXBMFYSA-N" . "InChI=1S/C22H25N5O4/c1-5-19(28)26-9-8-15(13-26)27-22(24-2)20(21(23)29)18(25-27)7-6-14-10-16(30-3)12-17(11-14)31-4/h5,10-12,15,24H,1,8-9,13H2,2-4H3,(H2,23,29)/t15-/m0/s1" . "N#Cc1ccnc(c1)c1cn([C@@H](c2cccc(c2)c2ncccn2)C)c(=O)c(c1)C" . "[C@H](C)(n1cc(cc(C)c1=O)c1nccc(c1)C#N)c1cc(ccc1)c1ncccn1" . "XVQSNGJANOEGEE-QGZVFWFLSA-N" . "InChI=1S/C24H19N5O/c1-16-11-21(22-12-18(14-25)7-10-26-22)15-29(24(16)30)17(2)19-5-3-6-20(13-19)23-27-8-4-9-28-23/h3-13,15,17H,1-2H3/t17-/m1/s1" . "COC(=O)N[C@@H](C(C(F)(F)F)(C)C)C(=O)N[C@H]([C@H](CN(Cc1c(F)cc(cc1F)c1ccn(n1)C(F)F)NC(=O)[C@H](C(C(F)(F)F)(C)C)NC(=O)OC)O)Cc1ccc(cc1)C#Cc1cnc(nc1)N1CC2CCC(C1)N2C1COC1" . "CC(C)([C@@H](C(=O)N[C@@H](Cc1ccc(cc1)C#Cc1cnc(nc1)N1CC2CCC(C1)N2C1COC1)[C@H](CN(Cc1c(cc(cc1F)c1nn(cc1)C(F)F)F)NC(=O)[C@H](C(C)(C)C(F)(F)F)NC(=O)OC)O)NC(=O)OC)C(F)(F)F" . "ZTSLYWLHCOINNI-FTEFBJIISA-N" . "InChI=1S/C52H59F10N11O8/c1-49(2,51(57,58)59)41(66-47(77)79-5)43(75)65-39(17-29-10-7-28(8-11-29)9-12-30-20-63-46(64-21-30)70-22-32-13-14-33(23-70)73(32)34-26-81-27-34)40(74)25-71(69-44(76)42(67-48(78)80-6)50(3,4)52(60,61)62)24-35-36(53)18-31(19-37(35)54)38-15-16-72(68-38)45(55)56/h7-8,10-11,15-16,18-21,32-34,39-42,45,74H,13-14,17,22-27H2,1-6H3,(H,65,75)(H,66,77)(H,67,78)(H,69,76)/t32?,33?,39-,40-,41+,42+/m0/s1" . "N#C/C(=C/C(C)(C)C)/C(=O)N1CCC[C@H](C1)n1nc(c2c1ncnc2N)c1ccc(cc1F)Oc1ccccc1" . "Nc1c2c(ncn1)n(nc2c1c(cc(cc1)Oc1ccccc1)F)[C@H]1CN(CCC1)C(=O)/C(=C/C(C)(C)C)/C#N" . "KZMQPYCXSAGLTB-ZWUNQBBJSA-N" . "InChI=1S/C30H30FN7O2/c1-30(2,3)15-19(16-32)29(39)37-13-7-8-20(17-37)38-28-25(27(33)34-18-35-28)26(36-38)23-12-11-22(14-24(23)31)40-21-9-5-4-6-10-21/h4-6,9-12,14-15,18,20H,7-8,13,17H2,1-3H3,(H2,33,34,35)/b19-15+/t20-/m1/s1" . "OC1CCN(CC1)c1ccc(cc1)Nc1ncc2c(n1)n(C)c1ccccc1c(=O)n2C" . "Cn1c2ccccc2c(=O)n(c2cnc(nc12)Nc1ccc(cc1)N1CCC(CC1)O)C" . "DFQAJLQXPSPNJE-UHFFFAOYSA-N" . "InChI=1S/C24H26N6O2/c1-28-20-6-4-3-5-19(20)23(32)29(2)21-15-25-24(27-22(21)28)26-16-7-9-17(10-8-16)30-13-11-18(31)12-14-30/h3-10,15,18,31H,11-14H2,1-2H3,(H,25,26,27)" . "O=C(c1ccc(cc1C)c1cnn2c1nc(Oc1cccnc1)cc2NCC1CC(C1)(C)O)NC1CC1" . "Cc1c(ccc(c1)c1c2nc(cc(n2nc1)NCC1CC(C1)(C)O)Oc1cnccc1)C(=O)NC1CC1" . "PMQUGSPFUBGJCZ-UHFFFAOYSA-N" . "InChI=1S/C28H30N6O3/c1-17-10-19(5-8-22(17)27(35)32-20-6-7-20)23-16-31-34-24(30-14-18-12-28(2,36)13-18)11-25(33-26(23)34)37-21-4-3-9-29-15-21/h3-5,8-11,15-16,18,20,30,36H,6-7,12-14H2,1-2H3,(H,32,35)" . "C[C@@H]1O[C@H](C)CN(C1)c1ncnc(c1)c1n[nH]c2c1cc(cc2)OC1(C)CC1" . "C[C@@H]1CN(C[C@@H](O1)C)c1ncnc(c1)c1n[nH]c2c1cc(cc2)OC1(CC1)C" . "ATUUNJCZCOMUKD-OKILXGFUSA-N" . "InChI=1S/C21H25N5O2/c1-13-10-26(11-14(2)27-13)19-9-18(22-12-23-19)20-16-8-15(28-21(3)6-7-21)4-5-17(16)24-25-20/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,24,25)/t13-,14+" . "O=Cc1c(C)c2cnc(nc2n(c1=O)C1CCCC1)Nc1ccc(cn1)N1CCN(CC1)Cc1nnn(c1)CCOCCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O" . "Cc1c(c(=O)n(c2nc(ncc12)Nc1ncc(cc1)N1CCN(CC1)Cc1cn(nn1)CCOCCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)C1CCCC1)C=O" . "MZTSDEMVUMXQFP-UHFFFAOYSA-N" . "InChI=1S/C43H47N13O7/c1-26-31-22-46-43(49-38(31)55(28-5-2-3-6-28)41(61)32(26)25-57)47-35-11-9-29(21-45-35)53-16-14-52(15-17-53)23-27-24-54(51-50-27)18-20-63-19-13-44-33-8-4-7-30-37(33)42(62)56(40(30)60)34-10-12-36(58)48-39(34)59/h4,7-9,11,21-22,24-25,28,34,44H,2-3,5-6,10,12-20,23H2,1H3,(H,48,58,59)(H,45,46,47,49)" . "COc1ccc(c(c1)C(=O)N1CCC[C@@]1(C)c1nc2c([nH]1)ccc(c2C)Cl)n1nccn1" . "Cc1c(ccc2c1nc([nH]2)[C@@]1(CCCN1C(=O)c1c(ccc(c1)OC)n1nccn1)C)Cl" . "NBGABHGMJVIVBW-QHCPKHFHSA-N" . "InChI=1S/C23H23ClN6O2/c1-14-17(24)6-7-18-20(14)28-22(27-18)23(2)9-4-12-29(23)21(31)16-13-15(32-3)5-8-19(16)30-25-10-11-26-30/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,27,28)/t23-/m0/s1" . "O[C@@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)COCCCOCCCCOCCCOc1ccc(cc1)Nc1ncc(c(n1)NCCCN(C(=O)C1CCC1)C)Br)C(=O)NCc1ccc(cc1)c1scnc1C" . "Cc1c(scn1)c1ccc(cc1)CNC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)COCCCOCCCCOCCCOc1ccc(cc1)Nc1ncc(c(n1)NCCCN(C)C(=O)C1CCC1)Br)O" . "QMGHHBHPDDAGGO-IIWOMYBWSA-N" . "InChI=1S/C53H74BrN9O9S/c1-36-46(73-35-58-36)38-16-14-37(15-17-38)31-56-49(66)44-30-41(64)33-63(44)51(68)47(53(2,3)4)60-45(65)34-71-28-10-26-69-24-6-7-25-70-27-11-29-72-42-20-18-40(19-21-42)59-52-57-32-43(54)48(61-52)55-22-9-23-62(5)50(67)39-12-8-13-39/h14-21,32,35,39,41,44,47,64H,6-13,22-31,33-34H2,1-5H3,(H,56,66)(H,60,65)(H2,55,57,59,61)/t41-,44+,47-/m1/s1" . "OCCN1CN(CO)C(=S)N(C1)CO" . "OCCN1CN(CO)C(=S)N(C1)CO" . "ZGUKXHGPXOTTSU-UHFFFAOYSA-N" . "InChI=1S/C7H15N3O3S/c11-2-1-8-3-9(5-12)7(14)10(4-8)6-13/h11-13H,1-6H2" . "COc1ccc2c(c1OP(=O)(O)O)c(=O)cc([nH]2)c1cccc(c1)F" . "COc1ccc2c(c1OP(=O)(O)O)c(=O)cc([nH]2)c1cccc(c1)F" . "ZDWFMAHQGDEALT-UHFFFAOYSA-N" . "InChI=1S/C16H13FNO6P/c1-23-14-6-5-11-15(16(14)24-25(20,21)22)13(19)8-12(18-11)9-3-2-4-10(17)7-9/h2-8H,1H3,(H,18,19)(H2,20,21,22)" . "CN1CCN(CC1)c1ccc(cc1)c1sc2c(c1)c(ncn2)N1CCN(CC1)C(=O)Nc1ccc(c(c1)C(F)(F)F)Cl" . "CN1CCN(c2ccc(cc2)c2cc3c(N4CCN(C(=O)Nc5ccc(Cl)c(C(F)(F)F)c5)CC4)ncnc3s2)CC1" . "ZYZUOYYVHYGMDE-UHFFFAOYSA-N" . "InChI=1S/C29H29ClF3N7OS/c1-37-8-10-38(11-9-37)21-5-2-19(3-6-21)25-17-22-26(34-18-35-27(22)42-25)39-12-14-40(15-13-39)28(41)36-20-4-7-24(30)23(16-20)29(31,32)33/h2-7,16-18H,8-15H2,1H3,(H,36,41)" . "N#Cc1cnc(nc1N[C@@H]1CC[C@@H](C(C1)(C)C)O)NCc1cncnc1OCC(F)(F)C" . "CC(F)(F)COc1c(CNc2nc(N[C@@H]3CC[C@H](O)C(C)(C)C3)c(cn2)C#N)cncn1" . "FMKGJQHNYMWDFJ-CVEARBPZSA-N" . "InChI=1S/C21H27F2N7O2/c1-20(2)6-15(4-5-16(20)31)29-17-13(7-24)9-26-19(30-17)27-10-14-8-25-12-28-18(14)32-11-21(3,22)23/h8-9,12,15-16,31H,4-6,10-11H2,1-3H3,(H2,26,27,29,30)/t15-,16+/m1/s1" . "Clc1cccc(c1)CN(C(=O)Cn1nnc2c1cccc2)c1ccc(cc1)c1c[nH]cn1" . "Clc1cccc(c1)CN(C(=O)Cn1nnc2ccccc12)c1ccc(cc1)c1c[nH]cn1" . "NQTRFDLUODRJKC-UHFFFAOYSA-N" . "InChI=1S/C24H19ClN6O/c25-19-5-3-4-17(12-19)14-30(20-10-8-18(9-11-20)22-13-26-16-27-22)24(32)15-31-23-7-2-1-6-21(23)28-29-31/h1-13,16H,14-15H2,(H,26,27)" . "O=C(C1CC1)Nc1ccc(cc1)N(C(=O)Cn1nnc2c1cccc2)Cc1cscc1" . "C1CC1C(=O)Nc1ccc(cc1)N(Cc1cscc1)C(=O)Cn1c2ccccc2nn1" . "OCKMJWOFMCSMEX-UHFFFAOYSA-N" . "InChI=1S/C23H21N5O2S/c29-22(14-28-21-4-2-1-3-20(21)25-26-28)27(13-16-11-12-31-15-16)19-9-7-18(8-10-19)24-23(30)17-5-6-17/h1-4,7-12,15,17H,5-6,13-14H2,(H,24,30)" . "ONC(=O)C[C@H](C(=O)N[C@H](C(=O)O)C)Cc1ccccc1" . "C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)CC(=O)NO" . "OJCFZTVYDSKXNM-GXSJLCMTSA-N" . "InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11+/m0/s1" . "SCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)Cc1ccccc1" . "c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)NC(=O)CS" . "DPRJEBOTAKMRQV-IRXDYDNUSA-N" . "InChI=1S/C20H22N2O4S/c23-18(13-27)21-16(11-14-7-3-1-4-8-14)19(24)22-17(20(25)26)12-15-9-5-2-6-10-15/h1-10,16-17,27H,11-13H2,(H,21,23)(H,22,24)(H,25,26)/t16-,17-/m0/s1" . "O=C(CNC(=O)C(Cc1ccccc1)CSC(=O)C)OCc1ccccc1" . "CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1" . "ODUOJXZPIYUATO-UHFFFAOYSA-N" . "InChI=1S/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25)" . "CC(C[C@@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)NP(=O)(O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)C" . "C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OP(=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)O)O)O)O" . "ZPHBZEQOLSRPAK-XLCYBJAPSA-N" . "InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1" . "CC(=O)SCCOP(=O)([C@H](c1ccccc1)N)C[C@H](C(=O)N[C@H](C(=O)OCc1ccccc1)C)Cc1ccc(cc1)c1ccccc1" . "N[C@H](P(=O)(OCCSC(=O)C)C[C@H](C(=O)N[C@H](C(=O)OCc1ccccc1)C)Cc1ccc(cc1)c1ccccc1)c1ccccc1" . "PYJMLILRVYLUHW-UNCDKACKSA-N" . "InChI=1S/C37H41N2O6PS/c1-27(37(42)44-25-30-12-6-3-7-13-30)39-36(41)34(24-29-18-20-32(21-19-29)31-14-8-4-9-15-31)26-46(43,45-22-23-47-28(2)40)35(38)33-16-10-5-11-17-33/h3-21,27,34-35H,22-26,38H2,1-2H3,(H,39,41)/t27-,34+,35+,46?/m0/s1" . "CSCC[C@@H](CSSC[C@H](C(=O)N[C@H](C(=O)OCc1ccccc1)C)Cc1ccccc1)N" . "C[C@@H](C(=O)OCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)CSSC[C@H](CCSC)N" . "XHWYFTNNIZGHRW-PMOQBDJRSA-N" . "InChI=1S/C25H34N2O3S3/c1-19(25(29)30-16-21-11-7-4-8-12-21)27-24(28)22(15-20-9-5-3-6-10-20)17-32-33-18-23(26)13-14-31-2/h3-12,19,22-23H,13-18,26H2,1-2H3,(H,27,28)/t19-,22+,23-/m0/s1" . "CSCCC(CSSCC(C(=O)N[C@H](C(=O)OCc1ccccc1)Cc1ccccc1)Cc1ccccc1)N" . "CSCCC(CSSCC(Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)N" . "QXXMSEVVNUSHKJ-PPUMFKDSSA-N" . "InChI=1S/C31H38N2O3S3/c1-37-18-17-28(32)23-39-38-22-27(19-24-11-5-2-6-12-24)30(34)33-29(20-25-13-7-3-8-14-25)31(35)36-21-26-15-9-4-10-16-26/h2-16,27-29H,17-23,32H2,1H3,(H,33,34)/t27?,28?,29-/m0/s1" . "C=CCc1ccc(c(c1)c1ccc(c(c1)CC=C)O)O" . "C=CCc1ccc(c(c1)c1ccc(c(c1)CC=C)O)O" . "FVYXIJYOAGAUQK-UHFFFAOYSA-N" . "InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2" . "Fc1cnc2n(c1)nc(c2C(=O)Nc1cncc(c1N1CCC(CC1)C(=O)N1CCN(CC1)C1COC1)F)N" . "C1CN(CCC1C(=O)N1CCN(CC1)C1COC1)c1c(cncc1NC(=O)c1c2ncc(cn2nc1N)F)F" . "QAYHKBLKSXWOEO-UHFFFAOYSA-N" . "InChI=1S/C25H29F2N9O3/c26-16-9-30-23-20(22(28)32-36(23)12-16)24(37)31-19-11-29-10-18(27)21(19)34-3-1-15(2-4-34)25(38)35-7-5-33(6-8-35)17-13-39-14-17/h9-12,15,17H,1-8,13-14H2,(H2,28,32)(H,31,37)" . "Cn1ncc(c1)c1ccc2n(c1)c(cn2)S(=O)(=O)n1ncc2c1cc(cn2)c1cnn(c1)C" . "Cn1ncc(c1)c1ccc2n(c1)c(cn2)S(=O)(=O)n1ncc2c1cc(cn2)c1cnn(c1)C" . "RYBLECYFLJXEJX-UHFFFAOYSA-N" . "InChI=1S/C21H17N9O2S/c1-27-11-16(7-24-27)14-3-4-20-23-10-21(29(20)13-14)33(31,32)30-19-5-15(6-22-18(19)9-26-30)17-8-25-28(2)12-17/h3-13H,1-2H3" . "COc1cccc2c1cc([nH]2)C(=O)N[C@H](C(=O)N[C@H](C(=O)c1nc2c(s1)cccc2)C[C@@H]1CCNC1=O)CC(C)C" . "s1c(nc2c1cccc2)C(=O)[C@H](C[C@H]1C(=O)NCC1)NC(=O)[C@H](CC(C)C)NC(=O)c1[nH]c2cccc(c2c1)OC" . "JBLLRCOZJMVOAE-HSQYWUDLSA-N" . "InChI=1S/C30H33N5O5S/c1-16(2)13-22(34-29(39)23-15-18-19(32-23)8-6-9-24(18)40-3)28(38)33-21(14-17-11-12-31-27(17)37)26(36)30-35-20-7-4-5-10-25(20)41-30/h4-10,15-17,21-22,32H,11-14H2,1-3H3,(H,31,37)(H,33,38)(H,34,39)/t17-,21-,22-/m0/s1" . "CCCC[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C)C=O" . "CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1" . "PGGUOGKHUUUWAF-ROUUACIJSA-N" . "InChI=1S/C20H30N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1" . "CC(C[C@@H](C(=O)N[C@H](C(=O)c1nc2c(s1)cccc2)C[C@@H]1CCNC1=O)NC(=O)OCc1ccccc1)C" . "CC(C[C@@H](C(=O)N[C@H](C(=O)c1nc2c(s1)cccc2)C[C@@H]1CCNC1=O)NC(=O)OCc1ccccc1)C" . "AJRQIXBBIDPNGK-BVSLBCMMSA-N" . "InChI=1S/C28H32N4O5S/c1-17(2)14-22(32-28(36)37-16-18-8-4-3-5-9-18)26(35)30-21(15-19-12-13-29-25(19)34)24(33)27-31-20-10-6-7-11-23(20)38-27/h3-11,17,19,21-22H,12-16H2,1-2H3,(H,29,34)(H,30,35)(H,32,36)/t19-,21-,22-/m0/s1" . "CCOC(=O)C=CC(NC(=O)C(NC(=O)C(C(C)C)NC(=O)OCc1ccccc1)CC(C)C)CC1CCNC1=O" . "CCOC(=O)C=CC(NC(=O)C(NC(=O)C(C(C)C)NC(=O)OCc1ccccc1)CC(C)C)CC1CCNC1=O" . "WDMSWWUPIMEGNZ-UHFFFAOYSA-N" . "InChI=1S/C30H44N4O7/c1-6-40-25(35)13-12-23(17-22-14-15-31-27(22)36)32-28(37)24(16-19(2)3)33-29(38)26(20(4)5)34-30(39)41-18-21-10-8-7-9-11-21/h7-13,19-20,22-24,26H,6,14-18H2,1-5H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)" . "CCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)C=O" . "CCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)C=O" . "QEJRGURBLQWEOU-FKBYEOEOSA-N" . "InChI=1S/C25H39N3O5/c1-6-10-20(15-29)26-23(30)21(13-17(2)3)27-24(31)22(14-18(4)5)28-25(32)33-16-19-11-8-7-9-12-19/h7-9,11-12,15,17-18,20-22H,6,10,13-14,16H2,1-5H3,(H,26,30)(H,27,31)(H,28,32)/t20-,21-,22-/m0/s1" . "O=C[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C)CC1CCNC1=O" . "O=C[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C)CC1CCNC1=O" . "QYENXTYKACLCGO-FQECFTEESA-N" . "InChI=1S/C21H29N3O5/c1-14(2)10-18(24-21(28)29-13-15-6-4-3-5-7-15)20(27)23-17(12-25)11-16-8-9-22-19(16)26/h3-7,12,14,16-18H,8-11,13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t16?,17-,18-/m0/s1" . "O=C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)c1nc2c(s1)cccc2)C[C@@H]1CCNC1=O)CC(C)C)C(C)C)OCc1ccccc1" . "O=C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)c1nc2c(s1)cccc2)C[C@@H]1CCNC1=O)CC(C)C)C(C)C)OCc1ccccc1" . "KSCRVOKQPYZBHZ-IXPOFIJOSA-N" . "InChI=1S/C33H41N5O6S/c1-19(2)16-25(36-31(42)27(20(3)4)38-33(43)44-18-21-10-6-5-7-11-21)30(41)35-24(17-22-14-15-34-29(22)40)28(39)32-37-23-12-8-9-13-26(23)45-32/h5-13,19-20,22,24-25,27H,14-18H2,1-4H3,(H,34,40)(H,35,41)(H,36,42)(H,38,43)/t22-,24-,25-,27-/m0/s1" . "CC(=O)OCC(CCn1cnc2c1nc(N)nc2)COC(=O)C" . "CC(=O)OCC(CCn1cnc2c1nc(N)nc2)COC(=O)C" . "GGXKWVWZWMLJEH-UHFFFAOYSA-N" . "InChI=1S/C14H19N5O4/c1-9(20)22-6-11(7-23-10(2)21)3-4-19-8-17-12-5-16-14(15)18-13(12)19/h5,8,11H,3-4,6-7H2,1-2H3,(H2,15,16,18)" . "COc1ccc(cc1C(=O)NCc1ccc(cc1)c1nn(c(c1C(=O)N)N)[C@H](C(F)(F)F)C)F" . "COc1ccc(cc1C(=O)NCc1ccc(cc1)c1nn(c(c1C(=O)N)N)[C@H](C(F)(F)F)C)F" . "FWZAWAUZXYCBKZ-NSHDSACASA-N" . "InChI=1S/C22H21F4N5O3/c1-11(22(24,25)26)31-19(27)17(20(28)32)18(30-31)13-5-3-12(4-6-13)10-29-21(33)15-9-14(23)7-8-16(15)34-2/h3-9,11H,10,27H2,1-2H3,(H2,28,32)(H,29,33)/t11-/m0/s1" . "COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl" . "COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl" . "RRRUXBQSQLKHEL-UHFFFAOYSA-N" . "InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)" . "Cn1ncc(c1c1ccc(cn1)C(F)(F)F)c1nc(n2c1c(ncn2)N1CCC1)C" . "Cn1ncc(c1c1ccc(cn1)C(F)(F)F)c1nc(n2c1c(ncn2)N1CCC1)C" . "CLGCHUKGBICQTE-UHFFFAOYSA-N" . "InChI=1S/C19H17F3N8/c1-11-27-15(17-18(29-6-3-7-29)24-10-26-30(11)17)13-9-25-28(2)16(13)14-5-4-12(8-23-14)19(20,21)22/h4-5,8-10H,3,6-7H2,1-2H3" . "CCCc1nc(c2n1c1nc(OC)ccc1nc2C)C" . "CCCc1nc(c2n1c1nc(OC)ccc1nc2C)C" . "YNADXFWEXJTQSZ-UHFFFAOYSA-N" . "InChI=1S/C15H18N4O/c1-5-6-12-17-10(3)14-9(2)16-11-7-8-13(20-4)18-15(11)19(12)14/h7-8H,5-6H2,1-4H3" . "O=C(Nc1ccccc1)Nc1ccc(cc1)N(S(=O)(=O)c1cnn(c1)c1ccc(cc1)F)C" . "O=C(Nc1ccccc1)Nc1ccc(cc1)N(S(=O)(=O)c1cnn(c1)c1ccc(cc1)F)C" . "NSLIQOPYDUKWTA-UHFFFAOYSA-N" . "InChI=1S/C23H20FN5O3S/c1-28(33(31,32)22-15-25-29(16-22)21-11-7-17(24)8-12-21)20-13-9-19(10-14-20)27-23(30)26-18-5-3-2-4-6-18/h2-16H,1H3,(H2,26,27,30)" . "Fc1cc(ccc1Oc1ccnc2c1ccc(c2)OCC(O)(C)C)NC(=O)c1c(C)n(n(c1=O)c1ccccc1)C" . "Fc1cc(ccc1Oc1ccnc2c1ccc(c2)OCC(O)(C)C)NC(=O)c1c(C)n(n(c1=O)c1ccccc1)C" . "VQYYQSZNRVQLIS-UHFFFAOYSA-N" . "InChI=1S/C31H29FN4O5/c1-19-28(30(38)36(35(19)4)21-8-6-5-7-9-21)29(37)34-20-10-13-27(24(32)16-20)41-26-14-15-33-25-17-22(11-12-23(25)26)40-18-31(2,3)39/h5-17,39H,18H2,1-4H3,(H,34,37)" . "Clc1ccc(cc1)CS(=O)(=O)/C=C/c1ccc(cc1)C(=O)O" . "Clc1ccc(cc1)CS(=O)(=O)/C=C/c1ccc(cc1)C(=O)O" . "KBEKQQJUNVQLDZ-MDZDMXLPSA-N" . "InChI=1S/C16H13ClO4S/c17-15-7-3-13(4-8-15)11-22(20,21)10-9-12-1-5-14(6-2-12)16(18)19/h1-10H,11H2,(H,18,19)/b10-9+" . "Fc1ccc2c(c1)/C(=C/c1[nH]c(c(c1C)C(=O)NCCN1CCCC1)C)/C(=O)N2" . "Fc1ccc2c(c1)/C(=C/c1[nH]c(c(c1C)C(=O)NCCN1CCCC1)C)/C(=O)N2" . "SRSGVKWWVXWSJT-ATVHPVEESA-N" . "InChI=1S/C22H25FN4O2/c1-13-19(12-17-16-11-15(23)5-6-18(16)26-21(17)28)25-14(2)20(13)22(29)24-7-10-27-8-3-4-9-27/h5-6,11-12,25H,3-4,7-10H2,1-2H3,(H,24,29)(H,26,28)/b17-12-" . "Fc1ccc2c(c1)/C(=C/c1[nH]c(c(c1C)C(=O)N[C@H]1CCN(C1)C(=O)N(C)C)C)/C(=O)N2" . "Fc1ccc2c(c1)/C(=C/c1[nH]c(c(c1C)C(=O)N[C@H]1CCN(C1)C(=O)N(C)C)C)/C(=O)N2" . "KMIOJWCYOHBUJS-HAKPAVFJSA-N" . "InChI=1S/C23H26FN5O3/c1-12-19(10-17-16-9-14(24)5-6-18(16)27-21(17)30)25-13(2)20(12)22(31)26-15-7-8-29(11-15)23(32)28(3)4/h5-6,9-10,15,25H,7-8,11H2,1-4H3,(H,26,31)(H,27,30)/b17-10-/t15-/m0/s1" . "C[C@@H]1OC[C@@H](N(C1)C1CCN(CC1)c1nnc([nH]1)N)Cc1ccc(cc1)Cl" . "C[C@@H]1OC[C@@H](N(C1)C1CCN(CC1)c1nnc([nH]1)N)Cc1ccc(cc1)Cl" . "STWVLEKJQQRGMO-GUYCJALGSA-N" . "InChI=1S/C19H27ClN6O/c1-13-11-26(17(12-27-13)10-14-2-4-15(20)5-3-14)16-6-8-25(9-7-16)19-22-18(21)23-24-19/h2-5,13,16-17H,6-12H2,1H3,(H3,21,22,23,24)/t13-,17-/m0/s1" . "Clc1cc(OCc2scnc2C(F)(F)F)cc(c1)c1cc(cn(c1=O)c1cccnc1)c1cn(C)c(=O)[nH]c1=O" . "Clc1cc(OCc2scnc2C(F)(F)F)cc(c1)c1cc(cn(c1=O)c1cccnc1)c1cn(C)c(=O)[nH]c1=O" . "CMYSAEAJENJTSK-UHFFFAOYSA-N" . "InChI=1S/C26H17ClF3N5O4S/c1-34-11-20(23(36)33-25(34)38)15-7-19(24(37)35(10-15)17-3-2-4-31-9-17)14-5-16(27)8-18(6-14)39-12-21-22(26(28,29)30)32-13-40-21/h2-11,13H,12H2,1H3,(H,33,36,38)" . "Clc1cc(cc(c1F)OCc1ccccc1Cl)c1cc(cn(c1=O)c1cccnc1)c1cn(C)c(=O)[nH]c1=O" . "Clc1cc(cc(c1F)OCc1ccccc1Cl)c1cc(cn(c1=O)c1cccnc1)c1cn(C)c(=O)[nH]c1=O" . "KIJKUSPNZALBLD-UHFFFAOYSA-N" . "InChI=1S/C28H19Cl2FN4O4/c1-34-14-21(26(36)33-28(34)38)18-9-20(27(37)35(13-18)19-6-4-8-32-12-19)17-10-23(30)25(31)24(11-17)39-15-16-5-2-3-7-22(16)29/h2-14H,15H2,1H3,(H,33,36,38)" . "C[C@@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O" . "C[C@@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O" . "BQVZICWQBFTOJX-QNDZYWSYSA-N" . "InChI=1S/C9H13NO4/c1-3-2-9(10,8(13)14)6-4(3)5(6)7(11)12/h3-6H,2,10H2,1H3,(H,11,12)(H,13,14)/t3-,4+,5+,6+,9+/m1/s1" . "N#CCC1(CC(C1)C#N)n1ncc(c1)c1nc(cn2c1ccn2)c1cnn(c1)C" . "N#CCC1(CC(C1)C#N)n1ncc(c1)c1nc(cn2c1ccn2)c1cnn(c1)C" . "XPLZTJWZDBFWDE-UHFFFAOYSA-N" . "InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3" . "CC[C@@H]1NC(=O)[C@H]([C@@H]([C@@H](CCCCCCNC(=O)C)C)O)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H](N(C1=O)C)C)C)CC(C)C)C(C)C)C)CC(C)C)C" . "CC[C@@H]1NC(=O)[C@H]([C@@H]([C@@H](CCCCCCNC(=O)C)C)O)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H](N(C1=O)C)C)C)CC(C)C)C(C)C)C)CC(C)C)C" . "KBARHGHBFILILC-NGIJKBHDSA-N" . "InChI=1S/C67H122N12O13/c1-26-48-63(88)73(19)46(17)62(87)74(20)50(34-38(4)5)59(84)72-53(41(10)11)66(91)75(21)49(33-37(2)3)58(83)69-44(15)57(82)70-45(16)61(86)76(22)51(35-39(6)7)64(89)77(23)52(36-40(8)9)65(90)78(24)54(42(12)13)67(92)79(25)55(60(85)71-48)56(81)43(14)31-29-27-28-30-32-68-47(18)80/h37-46,48-56,81H,26-36H2,1-25H3,(H,68,80)(H,69,83)(H,70,82)(H,71,85)(H,72,84)/t43-,44+,45-,46-,48+,49+,50+,51+,52+,53+,54+,55+,56-/m1/s1" . "O=C1CSC(c2c(N1)ccc(c2)Cl)c1ccccc1Cl" . "O=C1CSC(c2c(N1)ccc(c2)Cl)c1ccccc1Cl" . "KQEPIRKXSUIUTH-UHFFFAOYSA-N" . "InChI=1S/C15H11Cl2NOS/c16-9-5-6-13-11(7-9)15(20-8-14(19)18-13)10-3-1-2-4-12(10)17/h1-7,15H,8H2,(H,18,19)" . "COCCOCCN1C(=O)OC2(C1=O)CC1OC2(C)n2c3ccccc3c3c2c2n1c1ccccc1c2c1c3CNC1=O" . "COCCOCCN1C(=O)OC2(C1=O)CC1OC2(C)n2c3ccccc3c3c2c2n1c1ccccc1c2c1c3CNC1=O" . "MTDVEOMKVDOULD-UHFFFAOYSA-N" . "InChI=1S/C32H28N4O7/c1-31-32(29(38)34(30(39)43-32)11-12-41-14-13-40-2)15-22(42-31)35-20-9-5-3-7-17(20)24-25-19(16-33-28(25)37)23-18-8-4-6-10-21(18)36(31)27(23)26(24)35/h3-10,22H,11-16H2,1-2H3,(H,33,37)" . "N#Cc1ccc(c2c1nccc2)N1C[C@H](N)C[C@@H](C1)C(F)(F)F" . "N#Cc1ccc(c2c1nccc2)N1C[C@H](N)C[C@@H](C1)C(F)(F)F" . "BJXYHBKEQFQVES-NWDGAFQWSA-N" . "InChI=1S/C16H15F3N4/c17-16(18,19)11-6-12(21)9-23(8-11)14-4-3-10(7-20)15-13(14)2-1-5-22-15/h1-5,11-12H,6,8-9,21H2/t11-,12+/m0/s1" . "CCN1CCN(CC1)C(=O)Nc1cc2c(ncnc2cc1OC)Nc1cccc(c1)C#C" . "CCN1CCN(CC1)C(=O)Nc1cc2c(ncnc2cc1OC)Nc1cccc(c1)C#C" . "DQAZPZIYEOGZAF-UHFFFAOYSA-N" . "InChI=1S/C24H26N6O2/c1-4-17-7-6-8-18(13-17)27-23-19-14-21(22(32-3)15-20(19)25-16-26-23)28-24(31)30-11-9-29(5-2)10-12-30/h1,6-8,13-16H,5,9-12H2,2-3H3,(H,28,31)(H,25,26,27)" . "OC(=O)c1cc(N=Nc2ccc(c(c2)C(=O)O)O)ccc1O" . "OC(=O)c1cc(N=Nc2ccc(c(c2)C(=O)O)O)ccc1O" . "QQBDLJCYGRGAKP-UHFFFAOYSA-N" . "InChI=1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)" . "COc1cccc2c1cc([nH]2)C(=O)N[C@H](C(=O)N[C@H](C(=O)COC(=O)c1c(C)cc(nc1C)C)C[C@@H]1CCCNC1=O)CC(C)C" . "COc1cccc2c1cc([nH]2)C(=O)N[C@H](C(=O)N[C@H](C(=O)COC(=O)c1c(C)cc(nc1C)C)C[C@@H]1CCCNC1=O)CC(C)C" . "DVFMRMSQBLLRFB-HRNNMHKYSA-N" . "InChI=1S/C34H43N5O7/c1-18(2)13-26(39-33(43)27-16-23-24(37-27)10-7-11-29(23)45-6)32(42)38-25(15-22-9-8-12-35-31(22)41)28(40)17-46-34(44)30-19(3)14-20(4)36-21(30)5/h7,10-11,14,16,18,22,25-26,37H,8-9,12-13,15,17H2,1-6H3,(H,35,41)(H,38,42)(H,39,43)/t22-,25-,26-/m0/s1" . "ClCCN(c1ccc(cc1)C[C@@H](C(=O)N[C@H](C(=O)OCC)Cc1ccc(cc1)F)N)CCCl" . "ClCCN(c1ccc(cc1)C[C@@H](C(=O)N[C@H](C(=O)OCC)Cc1ccc(cc1)F)N)CCCl" . "YQZNKYXGZSVEHI-VXKWHMMOSA-N" . "InChI=1S/C24H30Cl2FN3O3/c1-2-33-24(32)22(16-18-3-7-19(27)8-4-18)29-23(31)21(28)15-17-5-9-20(10-6-17)30(13-11-25)14-12-26/h3-10,21-22H,2,11-16,28H2,1H3,(H,29,31)/t21-,22-/m0/s1" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)NCC(=O)N)CCC(=O)O)CC(=O)O)Cc1ccc(cc1)O)[C@H](O)C)CS)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)C)CC(=O)O)Cc1ccc(cc1)O)CO)Cc1[nH]cnc1)CS)CO)CC(C)C)CCCNC(=N)N)Cc1ccc(cc1)O)Cc1ccc(cc1)O" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)NCC(=O)N)CCC(=O)O)CC(=O)O)Cc1ccc(cc1)O)[C@H](O)C)CS)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)C)CC(=O)O)Cc1ccc(cc1)O)CO)Cc1[nH]cnc1)CS)CO)CC(C)C)CCCNC(=N)N)Cc1ccc(cc1)O)Cc1ccc(cc1)O" . "KIYFMMDRMKTMJU-JMSLXWMVSA-N" . "InChI=1S/C141H187N35O40S2/c1-72(2)50-93(163-133(209)109-24-15-49-176(109)140(216)104(68-178)169-130(206)105(69-217)171-127(203)98(57-81-62-146-71-154-81)162-129(205)103(67-177)168-124(200)95(52-76-28-36-83(182)37-29-76)160-128(204)99(58-116(191)192)155-114(188)66-148-74(4)180)122(198)157-91(21-11-45-147-141(144)145)120(196)159-94(51-75-26-34-82(181)35-27-75)123(199)165-100(53-77-30-38-84(183)39-31-77)137(213)173-46-13-23-108(173)134(210)164-97(56-80-61-150-89-19-8-6-17-87(80)89)126(202)161-96(55-79-60-149-88-18-7-5-16-86(79)88)125(201)156-90(20-9-10-44-142)121(197)170-106(70-218)131(207)172-118(73(3)179)136(212)167-101(54-78-32-40-85(184)41-33-78)138(214)174-47-14-25-110(174)135(211)166-102(59-117(193)194)139(215)175-48-12-22-107(175)132(208)158-92(42-43-115(189)190)119(195)153-65-113(187)152-64-112(186)151-63-111(143)185/h5-8,16-19,26-41,60-62,71-73,90-110,118,149-150,177-179,181-184,217-218H,9-15,20-25,42-59,63-70,142H2,1-4H3,(H2,143,185)(H,146,154)(H,148,180)(H,151,186)(H,152,187)(H,153,195)(H,155,188)(H,156,201)(H,157,198)(H,158,208)(H,159,196)(H,160,204)(H,161,202)(H,162,205)(H,163,209)(H,164,210)(H,165,199)(H,166,211)(H,167,212)(H,168,200)(H,169,206)(H,170,197)(H,171,203)(H,172,207)(H,189,190)(H,191,192)(H,193,194)(H4,144,145,147)/t73-,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,118+/m1/s1" . "N#Cc1c(cccc1C(F)(F)F)Cn1c(=O)n(C[C@@H]2CC[C@H](CC2)C(=O)O)c(=O)c2c1cccc2C" . "N#Cc1c(cccc1C(F)(F)F)Cn1c(=O)n(C[C@@H]2CC[C@H](CC2)C(=O)O)c(=O)c2c1cccc2C" . "QDVBJHFEZRTDHU-QAQDUYKDSA-N" . "InChI=1S/C26H24F3N3O4/c1-15-4-2-7-21-22(15)23(33)32(13-16-8-10-17(11-9-16)24(34)35)25(36)31(21)14-18-5-3-6-20(19(18)12-30)26(27,28)29/h2-7,16-17H,8-11,13-14H2,1H3,(H,34,35)/t16-,17-" . "NC(=O)CC[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)NC(=O)[C@@H]1CC[C@H]2N1C(=O)[C@H](CN(CC2)C(=O)CCCCCC#Cc1cccc2c1CN(C2=O)C1CCC(=O)NC1=O)NC(=O)c1cc2c([nH]1)ccc(c2)C(=O)P(=O)(O)O" . "NC(=O)CC[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)NC(=O)[C@@H]1CC[C@H]2N1C(=O)[C@H](CN(CC2)C(=O)CCCCCC#Cc1cccc2c1CN(C2=O)C1CCC(=O)NC1=O)NC(=O)c1cc2c([nH]1)ccc(c2)C(=O)P(=O)(O)O" . "OHDMEJTVYXXZNQ-OPKPGBGESA-N" . "InChI=1S/C59H62N9O13P/c60-49(69)27-24-44(53(72)65-52(36-14-7-4-8-15-36)37-16-9-5-10-17-37)62-56(75)48-25-22-40-29-30-66(34-46(58(77)68(40)48)63-54(73)45-32-39-31-38(21-23-43(39)61-45)59(78)82(79,80)81)51(71)20-11-3-1-2-6-13-35-18-12-19-41-42(35)33-67(57(41)76)47-26-28-50(70)64-55(47)74/h4-5,7-10,12,14-19,21,23,31-32,40,44,46-48,52,61H,1-3,11,20,22,24-30,33-34H2,(H2,60,69)(H,62,75)(H,63,73)(H,65,72)(H,64,70,74)(H2,79,80,81)/t40-,44+,46+,47?,48+/m1/s1" . "CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C" . "CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C" . "GVOISEJVFFIGQE-YCZSINBZSA-N" . "InChI=1S/C25H33F3N6O2/c1-14(2)33(4)17-6-8-22(21(12-17)31-15(3)35)34-10-9-20(24(34)36)32-23-18-11-16(25(26,27)28)5-7-19(18)29-13-30-23/h5,7,11,13-14,17,20-22H,6,8-10,12H2,1-4H3,(H,31,35)(H,29,30,32)/t17-,20+,21-,22+/m1/s1" . "CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C" . "CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C" . "QAPTWHXHEYAIKG-RCOXNQKVSA-N" . "InChI=1S/C25H33F3N6O2/c1-14(35)31-20-12-16(33-24(2,3)4)6-8-21(20)34-10-9-19(23(34)36)32-22-17-11-15(25(26,27)28)5-7-18(17)29-13-30-22/h5,7,11,13,16,19-21,33H,6,8-10,12H2,1-4H3,(H,31,35)(H,29,30,32)/t16-,19+,20-,21+/m1/s1" . "Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1c1ccccc1" . "Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1c1ccccc1" . "QWCJHSGMANYXCW-UHFFFAOYSA-N" . "InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2" . "C=CC(=O)Nc1cc(Nc2nccc(n2)c2c[nH]c3c2cccc3)c(cc1N(CCN(C)C)C)OC" . "C=CC(=O)Nc1cc(Nc2nccc(n2)c2c[nH]c3c2cccc3)c(cc1N(CCN(C)C)C)OC" . "IQNVEOMHJHBNHC-UHFFFAOYSA-N" . "InChI=1S/C27H31N7O2/c1-6-26(35)30-22-15-23(25(36-5)16-24(22)34(4)14-13-33(2)3)32-27-28-12-11-21(31-27)19-17-29-20-10-8-7-9-18(19)20/h6-12,15-17,29H,1,13-14H2,2-5H3,(H,30,35)(H,28,31,32)" . "CCOCCn1c(nc2c1cccc2)C1CCN(CC1)CCc1ccc(cc1)C(C(=O)O)(C)C" . "CCOCCn1c(nc2c1cccc2)C1CCN(CC1)CCc1ccc(cc1)C(C(=O)O)(C)C" . "ACCMWZWAEFYUGZ-UHFFFAOYSA-N" . "InChI=1S/C28H37N3O3/c1-4-34-20-19-31-25-8-6-5-7-24(25)29-26(31)22-14-17-30(18-15-22)16-13-21-9-11-23(12-10-21)28(2,3)27(32)33/h5-12,22H,4,13-20H2,1-3H3,(H,32,33)" . "O=C[C@@H](NC(=O)[C@@H](NC(=O)OCC1C[C@@H]2CCC[C@H](C1)C2)CC(C)C)C[C@@H]1CCNC1=O" . "O=C[C@@H](NC(=O)[C@@H](NC(=O)OCC1C[C@@H]2CCC[C@H](C1)C2)CC(C)C)C[C@@H]1CCNC1=O" . "YHWWOAJOMPQXED-LEDIMMKISA-N" . "InChI=1S/C24H39N3O5/c1-15(2)8-21(23(30)26-20(13-28)12-19-6-7-25-22(19)29)27-24(31)32-14-18-10-16-4-3-5-17(9-16)11-18/h13,15-21H,3-12,14H2,1-2H3,(H,25,29)(H,26,30)(H,27,31)/t16-,17+,18?,19-,20-,21-/m0/s1" . "C#Cc1ccnc(n1)C#Cc1ccc2c(c1)n(cn2)c1ccnc(n1)N" . "C#Cc1ccnc(n1)C#Cc1ccc2c(c1)n(cn2)c1ccnc(n1)N" . "WHGGGFMSJFAYSV-UHFFFAOYSA-N" . "InChI=1S/C19H11N7/c1-2-14-7-9-21-17(24-14)6-4-13-3-5-15-16(11-13)26(12-23-15)18-8-10-22-19(20)25-18/h1,3,5,7-12H,(H2,20,22,25)" . "Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H](O)[C@H]([C@@H]2O)O)C" . "Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H](O)[C@H]([C@@H]2O)O)C" . "AJIPIJNNOJSSQC-NYLIRDPKSA-N" . "InChI=1S/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m1/s1" . "OC(=O)C1CC2CCC(C1)N2[C@H](c1ccc2c(c1)c(c(cc2)OC1CCC(CC1)C(F)(F)F)C(F)(F)F)C" . "OC(=O)C1CC2CCC(C1)N2[C@H](c1ccc2c(c1)c(c(cc2)OC1CCC(CC1)C(F)(F)F)C(F)(F)F)C" . "PZASAAIJIFDWSB-CKPDSHCKSA-N" . "InChI=1S/C28H31F6NO3/c1-15(35-20-7-8-21(35)13-18(12-20)26(36)37)17-3-2-16-4-11-24(25(23(16)14-17)28(32,33)34)38-22-9-5-19(6-10-22)27(29,30)31/h2-4,11,14-15,18-22H,5-10,12-13H2,1H3,(H,36,37)/t15-,18?,19?,20?,21?,22?/m0/s1" . "ClCC(=O)Nc1c(sc(=S)n1c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc(OC)ccc1OC" . "ClCC(=O)Nc1c(sc(=S)n1c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc(OC)ccc1OC" . "SPVXUJWQZXMNES-UHFFFAOYSA-N" . "InChI=1S/C21H17ClF3N3O4S2/c1-31-13-7-8-15(32-2)14(9-13)26-19(30)17-18(27-16(29)10-22)28(20(33)34-17)12-5-3-11(4-6-12)21(23,24)25/h3-9H,10H2,1-2H3,(H,26,30)(H,27,29)" . "N#Cc1ccc2c(c1)[nH]c1c2C(=O)c2c(C1(C)C)cc(c(c2)CC)N1CCN(CC1)C(=O)CNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O" . "N#Cc1ccc2c(c1)[nH]c1c2C(=O)c2c(C1(C)C)cc(c(c2)CC)N1CCN(CC1)C(=O)CNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O" . "UMEMOEKJTJMMJN-UHFFFAOYSA-N" . "InChI=1S/C40H37N7O6/c1-4-22-17-25-26(40(2,3)36-34(35(25)50)23-9-8-21(19-41)16-28(23)43-36)18-30(22)45-12-14-46(15-13-45)32(49)20-42-27-7-5-6-24-33(27)39(53)47(38(24)52)29-10-11-31(48)44-37(29)51/h5-9,16-18,29,42-43H,4,10-15,20H2,1-3H3,(H,44,48,51)" . "NCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](NN[C@@H](C)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)Cc1ccc(cc1)O)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCN)NC(=O)[C@@H]1N(C(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)C)CCC1)Cc1[nH]cnc1" . "NCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](NN[C@@H](C)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)Cc1ccc(cc1)O)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCN)NC(=O)[C@@H]1N(C(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)C)CCC1)Cc1[nH]cnc1" . "OYWQJZAVFWOOBF-WBMPNIIXSA-N" . "InChI=1S/C84H118N24O21S2/c1-44-70(116)102-62-41-130-131-42-63(77(123)98-57(35-46-14-20-50(110)21-15-46)69(115)68(114)53(10-5-31-91-84(88)89)94-73(119)56(28-30-86)97-79(125)64-11-6-32-106(64)81(127)45(2)93-76(122)61(40-109)101-78(62)124)103-74(120)58(36-47-16-22-51(111)23-17-47)99-72(118)55(26-27-67(87)113)95-71(117)54(9-3-4-29-85)96-80(126)65-12-7-33-107(65)83(129)66-13-8-34-108(66)82(128)60(37-48-18-24-52(112)25-19-48)100-75(121)59(105-104-44)38-49-39-90-43-92-49/h14-25,39,43-45,53-66,104-105,109-112H,3-13,26-38,40-42,85-86H2,1-2H3,(H2,87,113)(H,90,92)(H,93,122)(H,94,119)(H,95,117)(H,96,126)(H,97,125)(H,98,123)(H,99,118)(H,100,121)(H,101,124)(H,102,116)(H,103,120)(H4,88,89,91)/t44-,45-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64+,65+,66-/m0/s1" . "CN(CC1CCOC1(c1ccccc1)c1ccccc1)C" . "CN(CC1CCOC1(c1ccccc1)c1ccccc1)C" . "BOTHKNZTGGXFEQ-UHFFFAOYSA-N" . "InChI=1S/C19H23NO/c1-20(2)15-18-13-14-21-19(18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3" . "O=C(N[C@H](C(=O)O)CC(=O)O)Cc1cc(c2nc3c([nH]2)cc(cc3)C(=N)N)c(c(c1)c1cc(ccc1O)S(=O)(=O)N)O" . "O=C(N[C@H](C(=O)O)CC(=O)O)Cc1cc(c2nc3c([nH]2)cc(cc3)C(=N)N)c(c(c1)c1cc(ccc1O)S(=O)(=O)N)O" . "WDJHHCAKBRKCLW-IBGZPJMESA-N" . "InChI=1S/C26H24N6O9S/c27-24(28)12-1-3-17-18(8-12)32-25(31-17)16-6-11(7-21(34)30-19(26(38)39)10-22(35)36)5-15(23(16)37)14-9-13(42(29,40)41)2-4-20(14)33/h1-6,8-9,19,33,37H,7,10H2,(H3,27,28)(H,30,34)(H,31,32)(H,35,36)(H,38,39)(H2,29,40,41)/t19-/m0/s1" . "COc1cc(c(cc1C=C)C(=O)Nc1ccc(cc1)C(=N)N)c1ccc(nc1C(=O)O)C(=O)NCC1CC1" . "COc1cc(c(cc1C=C)C(=O)Nc1ccc(cc1)C(=N)N)c1ccc(nc1C(=O)O)C(=O)NCC1CC1" . "TUWMKPVJGGWGNL-UHFFFAOYSA-N" . "InChI=1S/C28H27N5O5/c1-3-16-12-21(26(34)32-18-8-6-17(7-9-18)25(29)30)20(13-23(16)38-2)19-10-11-22(33-24(19)28(36)37)27(35)31-14-15-4-5-15/h3,6-13,15H,1,4-5,14H2,2H3,(H3,29,30)(H,31,35)(H,32,34)(H,36,37)" . "N#C[C@@H]1CCCN1C(=O)CNC(CNC(=O)c1cnc2n(c1)nc(c2)C)(C)C" . "N#C[C@@H]1CCCN1C(=O)CNC(CNC(=O)c1cnc2n(c1)nc(c2)C)(C)C" . "LDXYBEHACFJIEL-HNNXBMFYSA-N" . "InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1" . "CCCOc1ccc(cc1c1nc2c(CCC)nn(c2c(=O)[nH]1)C)S(=O)(=O)NCCC1CCCN1C" . "CCCOc1ccc(cc1c1nc2c(CCC)nn(c2c(=O)[nH]1)C)S(=O)(=O)NCCC1CCCN1C" . "IYFNEFQTYQPVOC-UHFFFAOYSA-N" . "InChI=1S/C25H36N6O4S/c1-5-8-20-22-23(31(4)29-20)25(32)28-24(27-22)19-16-18(10-11-21(19)35-15-6-2)36(33,34)26-13-12-17-9-7-14-30(17)3/h10-11,16-17,26H,5-9,12-15H2,1-4H3,(H,27,28,32)" . "COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O" . "COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O" . "YKPUWZUDDOIDPM-VURMDHGXSA-N" . "InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6-" . "Fc1cc(F)c(c(c1)F)CNC(=O)c1cn2C[C@H]3O[C@@H]4CC[C@H](N3C(=O)c2c(c1=O)O)C4" . "Fc1cc(F)c(c(c1)F)CNC(=O)c1cn2C[C@H]3O[C@@H]4CC[C@H](N3C(=O)c2c(c1=O)O)C4" . "SOLUWJRYJLAZCX-LYOVBCGYSA-N" . "InChI=1S/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m0/s1" . "OC[C@@H](n1cc(C(=O)O)c(=O)c2c1cc(OC)c(c2)Cc1cccc(c1F)Cl)C(C)C" . "OC[C@@H](n1cc(C(=O)O)c(=O)c2c1cc(OC)c(c2)Cc1cccc(c1F)Cl)C(C)C" . "JUZYLCPPVHEVSV-LJQANCHMSA-N" . "InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1" . "C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(O2)nc2cc(OC)ccc2n1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1" . "C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(O2)nc2cc(OC)ccc2n1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1" . "OBMNJSNZOWALQB-NCQNOWPTSA-N" . "InChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1" . "CCCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)NC1(CCCCC1)CS(=O)(=O)C(C)(C)C" . "CCCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)NC1(CCCCC1)CS(=O)(=O)C(C)(C)C" . "RICZEKWVNZFTNZ-LFGITCQGSA-N" . "InChI=1S/C36H61N5O7S/c1-10-11-15-24(27(42)30(44)37-22-16-17-22)38-29(43)26-25-23(35(25,8)9)20-41(26)31(45)28(33(2,3)4)39-32(46)40-36(18-13-12-14-19-36)21-49(47,48)34(5,6)7/h22-26,28H,10-21H2,1-9H3,(H,37,44)(H,38,43)(H2,39,40,46)/t23-,24-,25-,26-,28+/m0/s1" . "Fc1ccc(cc1)CNC(=O)c1nc(n(c(=O)c1O)C)C(NC(=O)c1nnc(o1)C)(C)C" . "Fc1ccc(cc1)CNC(=O)c1nc(n(c(=O)c1O)C)C(NC(=O)c1nnc(o1)C)(C)C" . "CZFFBEXEKNGXKS-UHFFFAOYSA-N" . "InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)" . "CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)OCC(C)(C)CCCCc1c3CN(C(=O)O2)Cc3ccc1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1" . "CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)OCC(C)(C)CCCCc1c3CN(C(=O)O2)Cc3ccc1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1" . "KUQWGLQLLVFLSM-ONAXAZCASA-N" . "InChI=1S/C38H55N5O9S/c1-7-25-18-38(25,33(46)41-53(49,50)27-14-15-27)40-31(44)29-17-26-20-43(29)32(45)30(36(2,3)4)39-34(47)51-22-37(5,6)16-9-8-11-23-12-10-13-24-19-42(21-28(23)24)35(48)52-26/h10,12-13,25-27,29-30H,7-9,11,14-22H2,1-6H3,(H,39,47)(H,40,44)(H,41,46)/t25-,26-,29+,30-,38-/m1/s1" . "OC(=O)CCNC(=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O" . "OC(=O)CCNC(=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O" . "IPOKCKJONYRRHP-UHFFFAOYSA-N" . "InChI=1S/C17H15N3O6/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26)" . "Cc1ccc2c(c1Nc1ncccc1c1ncnc3c1[nH]cn3)ccnc2Nc1cccc(c1)OC(F)(F)F" . "Cc1ccc2c(c1Nc1ncccc1c1ncnc3c1[nH]cn3)ccnc2Nc1cccc(c1)OC(F)(F)F" . "FZPYULHBUBXPIG-UHFFFAOYSA-N" . "InChI=1S/C27H19F3N8O/c1-15-7-8-19-18(9-11-32-24(19)37-16-4-2-5-17(12-16)39-27(28,29)30)21(15)38-25-20(6-3-10-31-25)22-23-26(35-13-33-22)36-14-34-23/h2-14H,1H3,(H,31,38)(H,32,37)(H,33,34,35,36)" . "FC(Oc1cc(cnc1N)c1cc(nc(n1)N1CCC(C1)(F)F)N1C[C@@H]2C[C@H]1CO2)F" . "FC(Oc1cc(cnc1N)c1cc(nc(n1)N1CCC(C1)(F)F)N1C[C@@H]2C[C@H]1CO2)F" . "SKMKJBYBPYBDMN-RYUDHWBXSA-N" . "InChI=1S/C19H20F4N6O2/c20-17(21)31-14-3-10(6-25-16(14)24)13-5-15(29-7-12-4-11(29)8-30-12)27-18(26-13)28-2-1-19(22,23)9-28/h3,5-6,11-12,17H,1-2,4,7-9H2,(H2,24,25)/t11-,12-/m0/s1" . "CCCC[C@@H](C(=O)N[C@H](C(=O)[C@]1(C)OC1)CC(C)C)NC(=O)[C@@H](C(C)C)NC(=O)CCCCC" . "CCCC[C@@H](C(=O)N[C@H](C(=O)[C@]1(C)OC1)CC(C)C)NC(=O)[C@@H](C(C)C)NC(=O)CCCCC" . "XAZZJHQEPVCAEX-RRTYAWIHSA-N" . "InChI=1S/C26H47N3O5/c1-8-10-12-14-21(30)29-22(18(5)6)25(33)27-19(13-11-9-2)24(32)28-20(15-17(3)4)23(31)26(7)16-34-26/h17-20,22H,8-16H2,1-7H3,(H,27,33)(H,28,32)(H,29,30)/t19-,20-,22+,26+/m0/s1" . "Fc1ccc(cc1)Cc1nnnn1C(=O)N(C)C" . "Fc1ccc(cc1)Cc1nnnn1C(=O)N(C)C" . "CKOZVEHVVHCMGD-UHFFFAOYSA-N" . "InChI=1S/C11H12FN5O/c1-16(2)11(18)17-10(13-14-15-17)7-8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3" . "O=C(C1=C(C)N(C)c2n(C1(C)C)nnn2)Nc1ccc2c(c1)c(n[nH]2)c1ccccc1" . "O=C(C1=C(C)N(C)c2n(C1(C)C)nnn2)Nc1ccc2c(c1)c(n[nH]2)c1ccccc1" . "KHSAHYKLUPESPP-UHFFFAOYSA-N" . "InChI=1S/C22H22N8O/c1-13-18(22(2,3)30-21(29(13)4)26-27-28-30)20(31)23-15-10-11-17-16(12-15)19(25-24-17)14-8-6-5-7-9-14/h5-12H,1-4H3,(H,23,31)(H,24,25)" . "CN(C/C=C/C(=O)N1CCc2c(C1)ccc(c2)Nc1ncc(c(n1)c1cnn(c1)C(C)C)C)C" . "CN(C/C=C/C(=O)N1CCc2c(C1)ccc(c2)Nc1ncc(c(n1)c1cnn(c1)C(C)C)C)C" . "SURRDPSGERGIIM-VOTSOKGWSA-N" . "InChI=1S/C26H33N7O/c1-18(2)33-17-22(15-28-33)25-19(3)14-27-26(30-25)29-23-9-8-21-16-32(12-10-20(21)13-23)24(34)7-6-11-31(4)5/h6-9,13-15,17-18H,10-12,16H2,1-5H3,(H,27,29,30)/b7-6+" . "Oc1cc(cc(c1O)O)c1coc2c(c1=O)c(O)c(c(c2)O)O" . "Oc1cc(cc(c1O)O)c1coc2c(c1=O)c(O)c(c(c2)O)O" . "DFURNQJNFBMYHM-UHFFFAOYSA-N" . "InChI=1S/C15H10O8/c16-7-1-5(2-8(17)13(7)20)6-4-23-10-3-9(18)14(21)15(22)11(10)12(6)19/h1-4,16-18,20-22H" . "C[n+]1cc2c3OCOc3ccc2c2c1c1cc3OCOc3cc1cc2" . "C[n+]1cc2c3OCOc3ccc2c2c1c1cc3OCOc3cc1cc2" . "INVGWHRKADIJHF-UHFFFAOYSA-N" . "InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1" . "O=C(c1ccc(cc1)C(C)(C)C)Nc1cc2c(cc1SCc1ccco1)n(c(=O)n2C)C" . "O=C(c1ccc(cc1)C(C)(C)C)Nc1cc2c(cc1SCc1ccco1)n(c(=O)n2C)C" . "YTVRQZGDIKFCPL-UHFFFAOYSA-N" . "InChI=1S/C25H27N3O3S/c1-25(2,3)17-10-8-16(9-11-17)23(29)26-19-13-20-21(28(5)24(30)27(20)4)14-22(19)32-15-18-7-6-12-31-18/h6-14H,15H2,1-5H3,(H,26,29)" . "Cc1ccc(cc1)NC(=O)c1cc(nc2c1cccc2)c1ccc(o1)C" . "Cc1ccc(cc1)NC(=O)c1cc(nc2c1cccc2)c1ccc(o1)C" . "OBTZDIRUQWFRFZ-UHFFFAOYSA-N" . "InChI=1S/C22H18N2O2/c1-14-7-10-16(11-8-14)23-22(25)18-13-20(21-12-9-15(2)26-21)24-19-6-4-3-5-17(18)19/h3-13H,1-2H3,(H,23,25)" . "CCOC(=O)/C=C/SC(=C(C(=O)N)C#N)S/C=C/C(=O)OCC" . "CCOC(=O)/C=C/SC(=C(C(=O)N)C#N)S/C=C/C(=O)OCC" . "NLFBCYMMUAKCPC-KQQUZDAGSA-N" . "InChI=1S/C14H16N2O5S2/c1-3-20-11(17)5-7-22-14(10(9-15)13(16)19)23-8-6-12(18)21-4-2/h5-8H,3-4H2,1-2H3,(H2,16,19)/b7-5+,8-6+" . "Cc1ccc(cc1)S(=O)(=O)C(C(=O)c1ccc(cc1)Cl)CC(=O)c1ccc(cc1)Cl" . "Cc1ccc(cc1)S(=O)(=O)C(C(=O)c1ccc(cc1)Cl)CC(=O)c1ccc(cc1)Cl" . "HTSGKJQDMSTCGS-UHFFFAOYSA-N" . "InChI=1S/C23H18Cl2O4S/c1-15-2-12-20(13-3-15)30(28,29)22(23(27)17-6-10-19(25)11-7-17)14-21(26)16-4-8-18(24)9-5-16/h2-13,22H,14H2,1H3" . "O=C(/C=C/c1ccc(o1)C)NCC(CNC(=O)/C=C/c1ccc(o1)C)(C)C" . "O=C(/C=C/c1ccc(o1)C)NCC(CNC(=O)/C=C/c1ccc(o1)C)(C)C" . "TVCXEKBERMLWAZ-WGDLNXRISA-N" . "InChI=1S/C21H26N2O4/c1-15-5-7-17(26-15)9-11-19(24)22-13-21(3,4)14-23-20(25)12-10-18-8-6-16(2)27-18/h5-12H,13-14H2,1-4H3,(H,22,24)(H,23,25)/b11-9+,12-10+" . "COc1c[n]c(c[n]1)C(=O)Nc1ccc(c(c1)[C@]12N=C(N)SC[C@@H]2CN(C1)c1[n]cc(c[n]1)F)F" . "COc1c[n]c(c[n]1)C(=O)Nc1ccc(c(c1)[C@]12N=C(N)SC[C@@H]2CN(C1)c1[n]cc(c[n]1)F)F" . "VQSRKMNBWMHJKY-YTEVENLXSA-N" . "InChI=1S/C22H20F2N8O2S/c1-34-18-8-26-17(7-27-18)19(33)30-14-2-3-16(24)15(4-14)22-11-32(21-28-5-13(23)6-29-21)9-12(22)10-35-20(25)31-22/h2-8,12H,9-11H2,1H3,(H2,25,31)(H,30,33)/t12-,22-/m0/s1" . "CCCCCCCCCCCCCCCCOCCCOP(=O)(CO[C@@H](Cn1ccc(nc1=O)N)CO)O" . "CCCCCCCCCCCCCCCCOCCCOP(=O)(CO[C@@H](Cn1ccc(nc1=O)N)CO)O" . "WXJFKKQWPMNTIM-VWLOTQADSA-N" . "InChI=1S/C27H52N3O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-35-20-16-21-37-38(33,34)24-36-25(23-31)22-30-18-17-26(28)29-27(30)32/h17-18,25,31H,2-16,19-24H2,1H3,(H,33,34)(H2,28,29,32)/t25-/m0/s1" . "COc1cc(cc2c1n(C/C=C/Cn1/c(=N/C(=O)c3cc(nn3CC)C)/[nH]c3c1c(OCCCN(C)C)cc(c3)C(=O)N)/c(=N/C(=O)c1cc(nn1CC)C)/[nH]2)C(=O)N" . "COc1cc(cc2c1n(C/C=C/Cn1/c(=N/C(=O)c3cc(nn3CC)C)/[nH]c3c1c(OCCCN(C)C)cc(c3)C(=O)N)/c(=N/C(=O)c1cc(nn1CC)C)/[nH]2)C(=O)N" . "MXHZAYVEIKSPIA-ZHACJKMWSA-N" . "InChI=1S/C40H49N13O6/c1-8-52-29(17-23(3)47-52)37(56)45-39-43-27-19-25(35(41)54)21-31(58-7)33(27)50(39)14-10-11-15-51-34-28(20-26(36(42)55)22-32(34)59-16-12-13-49(5)6)44-40(51)46-38(57)30-18-24(4)48-53(30)9-2/h10-11,17-22H,8-9,12-16H2,1-7H3,(H2,41,54)(H2,42,55)(H,43,45,56)(H,44,46,57)/b11-10+" . "O=C(c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)N[C@@H](c1ncn[nH]1)C" . "O=C(c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)N[C@@H](c1ncn[nH]1)C" . "JUBPRXDFKLPILK-LLVKDONJSA-N" . "InChI=1S/C19H19F3N6O/c1-10-13(8-24-15(10)17(29)27-11(2)16-25-9-26-28-16)18(5-6-18)12-3-4-14(23-7-12)19(20,21)22/h3-4,7-9,11,24H,5-6H2,1-2H3,(H,27,29)(H,25,26,28)/t11-/m1/s1" . "N#C/C(=C/c1ccc(c(c1)O)O)/C(=O)OCCc1cccs1" . "N#C/C(=C/c1ccc(c(c1)O)O)/C(=O)OCCc1cccs1" . "KCGLTUBCAGZLHP-XYOKQWHBSA-N" . "InChI=1S/C16H13NO4S/c17-10-12(8-11-3-4-14(18)15(19)9-11)16(20)21-6-5-13-2-1-7-22-13/h1-4,7-9,18-19H,5-6H2/b12-8+" . "O=C(N[C@@H](B(O)O)C)CNC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C1CCCC1)NC(=O)C" . "O=C(N[C@@H](B(O)O)C)CNC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C1CCCC1)NC(=O)C" . "VFMMJZMQRGSBSO-HFBAOOFYSA-N" . "InChI=1S/C18H33BN4O6/c1-10(2)15(17(26)20-9-14(25)21-11(3)19(28)29)23-18(27)16(22-12(4)24)13-7-5-6-8-13/h10-11,13,15-16,28-29H,5-9H2,1-4H3,(H,20,26)(H,21,25)(H,22,24)(H,23,27)/t11-,15-,16-/m1/s1" . "O=C(NC(c1csc(n1)c1ccc(cc1)F)(C)C)O[C@@H]1CN2CCC1CC2" . "O=C(NC(c1csc(n1)c1ccc(cc1)F)(C)C)O[C@@H]1CN2CCC1CC2" . "YFHRCLAKZBDRHN-MRXNPFEDSA-N" . "InChI=1S/C20H24FN3O2S/c1-20(2,17-12-27-18(22-17)14-3-5-15(21)6-4-14)23-19(25)26-16-11-24-9-7-13(16)8-10-24/h3-6,12-13,16H,7-11H2,1-2H3,(H,23,25)/t16-/m1/s1" . "CNCc1cc(n(c1)S(=O)(=O)c1cccnc1)c1ccccc1F" . "CNCc1cc(n(c1)S(=O)(=O)c1cccnc1)c1ccccc1F" . "BFDBKMOZYNOTPK-UHFFFAOYSA-N" . "InChI=1S/C17H16FN3O2S/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14/h2-9,11-12,19H,10H2,1H3" . "C=CC(=O)N1C(=O)CC(Sc2c1cccc2)c1ccc(cc1)F" . "C=CC(=O)N1C(=O)CC(Sc2c1cccc2)c1ccc(cc1)F" . "DJUQPBPAHPCBBX-UHFFFAOYSA-N" . "InChI=1S/C18H14FNO2S/c1-2-17(21)20-14-5-3-4-6-15(14)23-16(11-18(20)22)12-7-9-13(19)10-8-12/h2-10,16H,1,11H2" . "COc1nc(C(=O)NC[C@@](C(F)(F)F)(O)C)c(cc1C(F)(F)F)N" . "COc1nc(C(=O)NC[C@@](C(F)(F)F)(O)C)c(cc1C(F)(F)F)N" . "USHQRIKZLHNPQR-JTQLQIEISA-N" . "InChI=1S/C12H13F6N3O3/c1-10(23,12(16,17)18)4-20-8(22)7-6(19)3-5(11(13,14)15)9(21-7)24-2/h3,23H,4,19H2,1-2H3,(H,20,22)/t10-/m0/s1" . "Cc1ccc2c(c1NC(=O)c1csc3c1ncnc3N)ccnc2Nc1cccc(c1F)Cl" . "Cc1ccc2c(c1NC(=O)c1csc3c1ncnc3N)ccnc2Nc1cccc(c1F)Cl" . "KVCQTKNUUQOELD-UHFFFAOYSA-N" . "InChI=1S/C23H16ClFN6OS/c1-11-5-6-13-12(7-8-27-22(13)30-16-4-2-3-15(24)17(16)25)18(11)31-23(32)14-9-33-20-19(14)28-10-29-21(20)26/h2-10H,1H3,(H,27,30)(H,31,32)(H2,26,28,29)" . "CN1CCN(CC1)C(=O)Nc1cc(CNC(=O)C2CCN(CC2)[C@@H](c2cccc3c2cccc3)C)cc(c1)F" . "CN1CCN(CC1)C(=O)Nc1cc(CNC(=O)C2CCN(CC2)[C@@H](c2cccc3c2cccc3)C)cc(c1)F" . "ZGUISYSWQQIAHK-JOCHJYFZSA-N" . "InChI=1S/C31H38FN5O2/c1-22(28-9-5-7-24-6-3-4-8-29(24)28)36-12-10-25(11-13-36)30(38)33-21-23-18-26(32)20-27(19-23)34-31(39)37-16-14-35(2)15-17-37/h3-9,18-20,22,25H,10-17,21H2,1-2H3,(H,33,38)(H,34,39)/t22-/m1/s1" . "O=C(COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCOCCOCCNS(=O)(=O)Nc1cccc(c1)c1nc2n(c1)cc(cc2)C(=O)NC1CCC1" . "O=C(COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCOCCOCCNS(=O)(=O)Nc1cccc(c1)c1nc2n(c1)cc(cc2)C(=O)NC1CCC1" . "WPVVPCVQEBQVLL-UHFFFAOYSA-N" . "InChI=1S/C39H42N8O11S/c48-33-13-11-30(37(51)44-33)47-38(52)28-8-3-9-31(35(28)39(47)53)58-23-34(49)40-14-16-56-18-19-57-17-15-41-59(54,55)45-27-7-1-4-24(20-27)29-22-46-21-25(10-12-32(46)43-29)36(50)42-26-5-2-6-26/h1,3-4,7-10,12,20-22,26,30,41,45H,2,5-6,11,13-19,23H2,(H,40,49)(H,42,50)(H,44,48,51)" . "O=C(c1ccc2n(c1)cc(n2)c1cccc(c1)NS(=O)(=O)NCCN1CCCCC1)NC1CCC1" . "O=C(c1ccc2n(c1)cc(n2)c1cccc(c1)NS(=O)(=O)NCCN1CCCCC1)NC1CCC1" . "GPMTWAPXRJMXCC-UHFFFAOYSA-N" . "InChI=1S/C25H32N6O3S/c32-25(27-21-7-5-8-21)20-10-11-24-28-23(18-31(24)17-20)19-6-4-9-22(16-19)29-35(33,34)26-12-15-30-13-2-1-3-14-30/h4,6,9-11,16-18,21,26,29H,1-3,5,7-8,12-15H2,(H,27,32)" . "ClCC(=O)N(C1CCS(=O)(=O)C1)CC(C)(C)C" . "ClCC(=O)N(C1CCS(=O)(=O)C1)CC(C)(C)C" . "NMHVAHHYKGXBMY-UHFFFAOYSA-N" . "InChI=1S/C11H20ClNO3S/c1-11(2,3)8-13(10(14)6-12)9-4-5-17(15,16)7-9/h9H,4-8H2,1-3H3" . "O=C(c1ccc(cc1)NC(=O)c1oc2c(c1)cccc2)Nc1ccc(cc1)c1oc2c(n1)cccc2" . "O=C(c1ccc(cc1)NC(=O)c1oc2c(c1)cccc2)Nc1ccc(cc1)c1oc2c(n1)cccc2" . "ALQIZRCPSILFNQ-UHFFFAOYSA-N" . "InChI=1S/C29H19N3O4/c33-27(30-21-15-11-19(12-16-21)29-32-23-6-2-4-8-25(23)36-29)18-9-13-22(14-10-18)31-28(34)26-17-20-5-1-3-7-24(20)35-26/h1-17H,(H,30,33)(H,31,34)" . "OC[C@@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)N)CCCN=C(N)N)Cc1ccccc1" . "OC[C@@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)N)CCCN=C(N)N)Cc1ccccc1" . "TWWFCOBVAKAKIT-SXYSDOLCSA-N" . "InChI=1S/C29H48N12O8/c30-17(10-11-22(31)43)23(44)38-18(8-4-12-36-28(32)33)24(45)40-20(14-16-6-2-1-3-7-16)25(46)41-21(15-42)26(47)39-19(27(48)49)9-5-13-37-29(34)35/h1-3,6-7,17-21,42H,4-5,8-15,30H2,(H2,31,43)(H,38,44)(H,39,47)(H,40,45)(H,41,46)(H,48,49)(H4,32,33,36)(H4,34,35,37)/t17-,18-,19-,20-,21-/m0/s1" . "N#Cc1ccc(c(c1)S(=O)(=O)NC(=O)NC(C)(C)C)Oc1cccc(c1)c1ccc(cc1)OC(F)F" . "N#Cc1ccc(c(c1)S(=O)(=O)NC(=O)NC(C)(C)C)Oc1cccc(c1)c1ccc(cc1)OC(F)F" . "RIIKDGPBTPECSW-UHFFFAOYSA-N" . "InChI=1S/C25H23F2N3O5S/c1-25(2,3)29-24(31)30-36(32,33)22-13-16(15-28)7-12-21(22)34-20-6-4-5-18(14-20)17-8-10-19(11-9-17)35-23(26)27/h4-14,23H,1-3H3,(H2,29,30,31)" . "CC(CN(S(=O)(=O)c1scc(n1)C)c1cc2CCCc2cc1OCc1ccc(cc1)C(=O)O)C" . "CC(CN(S(=O)(=O)c1scc(n1)C)c1cc2CCCc2cc1OCc1ccc(cc1)C(=O)O)C" . "IOXMDBQCUCDLAF-UHFFFAOYSA-N" . "InChI=1S/C25H28N2O5S2/c1-16(2)13-27(34(30,31)25-26-17(3)15-33-25)22-11-20-5-4-6-21(20)12-23(22)32-14-18-7-9-19(10-8-18)24(28)29/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,28,29)" . "CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)OS(=O)(=O)O" . "CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)OS(=O)(=O)O" . "MENQCIVHHONJLU-YZRLXODZSA-N" . "InChI=1S/C21H34O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12H2,1-3H3,(H,23,24,25)/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1" . "O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C" . "O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C" . "AURFZBICLPNKBZ-YZRLXODZSA-N" . "InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1" . "NC(=N)NCCC[C@@H](C(=O)c1nc2c(s1)cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)C)CCC(=O)N)Cc1ccccc1" . "NC(=N)NCCC[C@@H](C(=O)c1nc2c(s1)cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)C)CCC(=O)N)Cc1ccccc1" . "ZEPMYXYJCBQSLH-VABKMULXSA-N" . "InChI=1S/C31H39N9O6S/c1-18(41)36-17-26(43)37-22(13-14-25(32)42)28(45)39-23(16-19-8-3-2-4-9-19)29(46)38-21(11-7-15-35-31(33)34)27(44)30-40-20-10-5-6-12-24(20)47-30/h2-6,8-10,12,21-23H,7,11,13-17H2,1H3,(H2,32,42)(H,36,41)(H,37,43)(H,38,46)(H,39,45)(H4,33,34,35)/t21-,22-,23-/m0/s1" . "COc1ccc(c(c1)N1CCC(CC1)COc1nccc(c1)[C@H](C1CC1)CC(=O)O)C(=O)N(c1cccc(n1)C)CC(C)(C)C" . "COc1ccc(c(c1)N1CCC(CC1)COc1nccc(c1)[C@H](C1CC1)CC(=O)O)C(=O)N(c1cccc(n1)C)CC(C)(C)C" . "VVRXREQIOCYUKN-PMERELPUSA-N" . "InChI=1S/C36H46N4O5/c1-24-7-6-8-32(38-24)40(23-36(2,3)4)35(43)29-12-11-28(44-5)20-31(29)39-17-14-25(15-18-39)22-45-33-19-27(13-16-37-33)30(21-34(41)42)26-9-10-26/h6-8,11-13,16,19-20,25-26,30H,9-10,14-15,17-18,21-23H2,1-5H3,(H,41,42)/t30-/m0/s1" . "O=C(c1cc(=O)n2c(n1)cccc2)NCc1cn2c(n1)ccc(c2)CNCC1CCCCC1" . "O=C(c1cc(=O)n2c(n1)cccc2)NCc1cn2c(n1)ccc(c2)CNCC1CCCCC1" . "OBERVORNENYOLE-UHFFFAOYSA-N" . "InChI=1S/C25H28N6O2/c32-24-12-21(29-23-8-4-5-11-31(23)24)25(33)27-15-20-17-30-16-19(9-10-22(30)28-20)14-26-13-18-6-2-1-3-7-18/h4-5,8-12,16-18,26H,1-3,6-7,13-15H2,(H,27,33)" . "N#Cc1cc(CN2CC[C@H](C2)C(=O)O)cc2c1oc(n2)c1cccc(c1C)c1cccc(c1C)Nc1nccc2c1ncc(c2)CN1CC[C@H](C1)O" . "N#Cc1cc(CN2CC[C@H](C2)C(=O)O)cc2c1oc(n2)c1cccc(c1C)c1cccc(c1C)Nc1nccc2c1ncc(c2)CN1CC[C@H](C1)O" . "QARLNMDDSQMINK-BVRKHOPBSA-N" . "InChI=1S/C41H39N7O4/c1-24-32(5-3-7-34(24)40-46-36-17-26(15-30(18-42)38(36)52-40)20-47-13-10-29(22-47)41(50)51)33-6-4-8-35(25(33)2)45-39-37-28(9-12-43-39)16-27(19-44-37)21-48-14-11-31(49)23-48/h3-9,12,15-17,19,29,31,49H,10-11,13-14,20-23H2,1-2H3,(H,43,45)(H,50,51)/t29-,31-/m1/s1" . "O=C([C@@H]1CCCN1C(=O)CSc1nc2c(n1C)cccc2)Nc1ccccc1c1ccccc1" . "O=C([C@@H]1CCCN1C(=O)CSc1nc2c(n1C)cccc2)Nc1ccccc1c1ccccc1" . "YSBGRVXJEMSEQY-DEOSSOPVSA-N" . "InChI=1S/C27H26N4O2S/c1-30-23-15-8-7-14-22(23)29-27(30)34-18-25(32)31-17-9-16-24(31)26(33)28-21-13-6-5-12-20(21)19-10-3-2-4-11-19/h2-8,10-15,24H,9,16-18H2,1H3,(H,28,33)/t24-/m0/s1" . "CNC(=O)c1ccc(cn1)N1CCN(CC1)Cc1cnc2c(c1)[nH]c(=O)c(c2)CC" . "CNC(=O)c1ccc(cn1)N1CCN(CC1)Cc1cnc2c(c1)[nH]c(=O)c(c2)CC" . "WQAVGRAETZEADU-UHFFFAOYSA-N" . "InChI=1S/C22H26N6O2/c1-3-16-11-19-20(26-21(16)29)10-15(12-24-19)14-27-6-8-28(9-7-27)17-4-5-18(25-13-17)22(30)23-2/h4-5,10-13H,3,6-9,14H2,1-2H3,(H,23,30)(H,26,29)" . "COCc1nn(c(c1)C(=O)Nc1n[nH]c(c1)[C@H]1CC[C@H](C1)OC(=O)NC(C)C)C" . "COCc1nn(c(c1)C(=O)Nc1n[nH]c(c1)[C@H]1CC[C@H](C1)OC(=O)NC(C)C)C" . "MTNBRBDFNSGQKB-GXTWGEPZSA-N" . "InChI=1S/C19H28N6O4/c1-11(2)20-19(27)29-14-6-5-12(7-14)15-9-17(23-22-15)21-18(26)16-8-13(10-28-4)24-25(16)3/h8-9,11-12,14H,5-7,10H2,1-4H3,(H,20,27)(H2,21,22,23,26)/t12-,14+/m0/s1" . "CCc1onc(n1)c1ccc2c(c1)CC[C@H]2NC(=O)c1cnn(c1)C" . "CCc1onc(n1)c1ccc2c(c1)CC[C@H]2NC(=O)c1cnn(c1)C" . "IOVAZWDIRCRMTM-OAHLLOKOSA-N" . "InChI=1S/C18H19N5O2/c1-3-16-21-17(22-25-16)12-4-6-14-11(8-12)5-7-15(14)20-18(24)13-9-19-23(2)10-13/h4,6,8-10,15H,3,5,7H2,1-2H3,(H,20,24)/t15-/m1/s1" . "Cc1ncccc1c1cc2OC[C@H]3COc4c3c(CNc2n2c1nnc2)c(F)cc4" . "Cc1ncccc1c1cc2OC[C@H]3COc4c3c(CNc2n2c1nnc2)c(F)cc4" . "JQBUTSBIFNKJMW-CYBMUJFWSA-N" . "InChI=1S/C22H18FN5O2/c1-12-14(3-2-6-24-12)15-7-19-22(28-11-26-27-21(15)28)25-8-16-17(23)4-5-18-20(16)13(9-29-18)10-30-19/h2-7,11,13,25H,8-10H2,1H3/t13-/m1/s1" . "OCCCC/C=C/CCCCCCC/C=C/CCCCC(=O)N[C@H](C(=O)[O-])CC(=O)[O-]" . "OCCCC/C=C/CCCCCCC/C=C/CCCCC(=O)N[C@H](C(=O)[O-])CC(=O)[O-]" . "YOJFRYNVBRTSNN-WYCJAXOMSA-L" . "InChI=1S/C24H41NO6/c26-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-22(27)25-21(24(30)31)20-23(28)29/h8-11,21,26H,1-7,12-20H2,(H,25,27)(H,28,29)(H,30,31)/p-2/b10-8-,11-9-/t21-/m0/s1" . "Clc1cncc(c1)OC(=O)c1[nH]c2c(c1)cc(cc2)Cl" . "Clc1cncc(c1)OC(=O)c1[nH]c2c(c1)cc(cc2)Cl" . "WGTDTRRECQYDFW-UHFFFAOYSA-N" . "InChI=1S/C14H8Cl2N2O2/c15-9-1-2-12-8(3-9)4-13(18-12)14(19)20-11-5-10(16)6-17-7-11/h1-7,18H" . "O=C1NS(=O)(=O)c2c1cccc2" . "O=C1NS(=O)(=O)c2c1cccc2" . "CVHZOJJKTDOEJC-UHFFFAOYSA-N" . "InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)" . "CCC[C@H](C(=O)N[C@H](B(O)O)CCCc1ccccc1)NC(=O)c1cnccn1" . "CCC[C@H](C(=O)N[C@H](B(O)O)CCCc1ccccc1)NC(=O)c1cnccn1" . "KSQVGVMZECCPAT-AEFFLSMTSA-N" . "InChI=1S/C20H27BN4O4/c1-2-7-16(24-20(27)17-14-22-12-13-23-17)19(26)25-18(21(28)29)11-6-10-15-8-4-3-5-9-15/h3-5,8-9,12-14,16,18,28-29H,2,6-7,10-11H2,1H3,(H,24,27)(H,25,26)/t16-,18+/m1/s1" . "N#CN(N(C(=O)[C@@H](NC(=O)[C@H](C(C)(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC)Cc1ccccc1)C)CCC(=O)N" . "N#CN(N(C(=O)[C@@H](NC(=O)[C@H](C(C)(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC)Cc1ccccc1)C)CCC(=O)N" . "JGNSKMJHNUAKGY-OHSXHVKISA-N" . "InChI=1S/C32H43N7O6/c1-6-24(36-31(44)45-20-23-15-11-8-12-16-23)28(41)37-27(32(2,3)4)29(42)35-25(19-22-13-9-7-10-14-22)30(43)38(5)39(21-33)18-17-26(34)40/h7-16,24-25,27H,6,17-20H2,1-5H3,(H2,34,40)(H,35,42)(H,36,44)(H,37,41)/t24-,25-,27+/m0/s1" . "O=C(c1cccnc1c1ccncc1)N1CCC(CC1)(O)Cc1ccccc1" . "O=C(c1cccnc1c1ccncc1)N1CCC(CC1)(O)Cc1ccccc1" . "XKUZMIUSBMCVPP-UHFFFAOYSA-N" . "InChI=1S/C23H23N3O2/c27-22(20-7-4-12-25-21(20)19-8-13-24-14-9-19)26-15-10-23(28,11-16-26)17-18-5-2-1-3-6-18/h1-9,12-14,28H,10-11,15-17H2" . "O=C(c1csc(c1)[C@@H]1C[C@H]1NCC1CC1)NC1CCOCC1" . "O=C(c1csc(c1)[C@@H]1C[C@H]1NCC1CC1)NC1CCOCC1" . "QZNGFWQWWSECMG-HUUCEWRRSA-N" . "InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15-/m1/s1" . "CN1CCN(CC1)C(=O)N[C@H](C(=O)N[C@H](CCS(=O)(=O)c1ccccc1)CCc1ccccc1)Cc1ccccc1" . "CN1CCN(CC1)C(=O)N[C@H](C(=O)N[C@H](CCS(=O)(=O)c1ccccc1)CCc1ccccc1)Cc1ccccc1" . "VZSXPUDQSLKVIR-JDXGNMNLSA-N" . "InChI=1S/C32H40N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,28,30H,17-25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1" . "Fc1ccc(c(c1)F)OC1CCN(CC1)c1nc2CCN(Cc2nc1N[C@H]1COCC1)C(=O)C" . "Fc1ccc(c(c1)F)OC1CCN(CC1)c1nc2CCN(Cc2nc1N[C@H]1COCC1)C(=O)C" . "HSWVJQBEXRKOBZ-QGZVFWFLSA-N" . "InChI=1S/C24H29F2N5O3/c1-15(32)31-10-6-20-21(13-31)28-23(27-17-7-11-33-14-17)24(29-20)30-8-4-18(5-9-30)34-22-3-2-16(25)12-19(22)26/h2-3,12,17-18H,4-11,13-14H2,1H3,(H,27,28)/t17-/m1/s1" . "CN1CCC(CC1)N1CCN(CC1)C(=O)[C@H](NC(=O)N1CCC(CC1)c1cc2ccccc2[nH]c1=O)Cc1cc(C)c2c(c1)cn[nH]2" . "CN1CCC(CC1)N1CCN(CC1)C(=O)[C@H](NC(=O)N1CCC(CC1)c1cc2ccccc2[nH]c1=O)Cc1cc(C)c2c(c1)cn[nH]2" . "JJVAPHYEOZSKJZ-JGCGQSQUSA-N" . "InChI=1S/C36H46N8O3/c1-24-19-25(20-28-23-37-40-33(24)28)21-32(35(46)43-17-15-42(16-18-43)29-9-11-41(2)12-10-29)39-36(47)44-13-7-26(8-14-44)30-22-27-5-3-4-6-31(27)38-34(30)45/h3-6,19-20,22-23,26,29,32H,7-18,21H2,1-2H3,(H,37,40)(H,38,45)(H,39,47)/t32-/m1/s1" . "N#Cc1ccc(cc1Cl)O[C@@H]1CC[C@H](CC1)NC(=O)c1ccc(nn1)N1CCC(CC1)CN1CCN(CC1)c1cc2C(=O)N(C(=O)c2cc1F)C1CCC(=O)NC1=O" . "N#Cc1ccc(cc1Cl)O[C@@H]1CC[C@H](CC1)NC(=O)c1ccc(nn1)N1CCC(CC1)CN1CCN(CC1)c1cc2C(=O)N(C(=O)c2cc1F)C1CCC(=O)NC1=O" . "CLCTZVRHDOAUGJ-SYVGMNBRSA-N" . "InChI=1S/C41H43ClFN9O6/c42-31-19-28(4-1-25(31)22-44)58-27-5-2-26(3-6-27)45-38(54)33-7-9-36(48-47-33)51-13-11-24(12-14-51)23-49-15-17-50(18-16-49)35-21-30-29(20-32(35)43)40(56)52(41(30)57)34-8-10-37(53)46-39(34)55/h1,4,7,9,19-21,24,26-27,34H,2-3,5-6,8,10-18,23H2,(H,45,54)(H,46,53,55)/t26-,27-,34?" . "O=C1CCC(C(=O)N1)N1Cc2c(C1=O)ccc(c2)N1CCN(CC1)CC1CCN(CC1)c1ccc(cc1)[C@H]1[C@H](CCc2c1ccc(c2)O)c1ccccc1" . "O=C1CCC(C(=O)N1)N1Cc2c(C1=O)ccc(c2)N1CCN(CC1)CC1CCN(CC1)c1ccc(cc1)[C@H]1[C@H](CCc2c1ccc(c2)O)c1ccccc1" . "TZZDVPMABRWKIZ-MFTLXVFQSA-N" . "InChI=1S/C45H49N5O4/c51-37-12-15-39-33(27-37)8-13-38(31-4-2-1-3-5-31)43(39)32-6-9-35(10-7-32)48-20-18-30(19-21-48)28-47-22-24-49(25-23-47)36-11-14-40-34(26-36)29-50(45(40)54)41-16-17-42(52)46-44(41)53/h1-7,9-12,14-15,26-27,30,38,41,43,51H,8,13,16-25,28-29H2,(H,46,52,53)/t38-,41?,43+/m1/s1" . "Cn1ncc(c1)c1ccc(cc1)CNc1ncnc(c1)c1cnc2n1ccc(c2)OCCCN1CCCC1" . "Cn1ncc(c1)c1ccc(cc1)CNc1ncnc(c1)c1cnc2n1ccc(c2)OCCCN1CCCC1" . "LVMAULGVWBINFP-UHFFFAOYSA-N" . "InChI=1S/C29H32N8O/c1-35-20-24(18-34-35)23-7-5-22(6-8-23)17-30-28-16-26(32-21-33-28)27-19-31-29-15-25(9-13-37(27)29)38-14-4-12-36-10-2-3-11-36/h5-9,13,15-16,18-21H,2-4,10-12,14,17H2,1H3,(H,30,32,33)" . "CCN(C(=O)C)Cc1nc2c([nH]1)c1ccc(cc1nc2N)c1n[nH]cc1" . "CCN(C(=O)C)Cc1nc2c([nH]1)c1ccc(cc1nc2N)c1n[nH]cc1" . "UHNRLQRZRNKOKU-UHFFFAOYSA-N" . "InChI=1S/C18H19N7O/c1-3-25(10(2)26)9-15-22-16-12-5-4-11(13-6-7-20-24-13)8-14(12)21-18(19)17(16)23-15/h4-8H,3,9H2,1-2H3,(H2,19,21)(H,20,24)(H,22,23)" . "O=C(NC(C)(C)C)N[C@@H](C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C(=O)C(=O)N)C[C@@H]1CCOC1=C)C2(C)C" . "O=C(NC(C)(C)C)N[C@@H](C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C(=O)C(=O)N)C[C@@H]1CCOC1=C)C2(C)C" . "GLLOOYDKCPXZBT-WCDFTICCSA-N" . "InChI=1S/C28H45N5O6/c1-14-15(10-11-39-14)12-17(20(34)22(29)35)30-23(36)19-18-16(28(18,8)9)13-33(19)24(37)21(26(2,3)4)31-25(38)32-27(5,6)7/h15-19,21H,1,10-13H2,2-9H3,(H2,29,35)(H,30,36)(H2,31,32,38)/t15-,16-,17+,18-,19-,21+/m0/s1" . "OC(=O)C1CCCNC1" . "OC(=O)C1CCCNC1" . "XJLSEXAGTJCILF-UHFFFAOYSA-N" . "InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)" . "O=C1CC(Oc2c1c1C=CCOc1cc2)c1ccccc1" . "O=C1CC(Oc2c1c1C=CCOc1cc2)c1ccccc1" . "XIKPIBLKOKRKJQ-UHFFFAOYSA-N" . "InChI=1S/C18H14O3/c19-14-11-17(12-5-2-1-3-6-12)21-16-9-8-15-13(18(14)16)7-4-10-20-15/h1-9,17H,10-11H2" . "O=C(N[C@H]([C@H](C[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCCNC1=O)C(C)C)O)Cc1ccccc1)COc1c(C)cccc1C" . "O=C(N[C@H]([C@H](C[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCCNC1=O)C(C)C)O)Cc1ccccc1)COc1c(C)cccc1C" . "KJHKTHWMRKYKJE-SUGCFTRWSA-N" . "InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1" . "N#C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F" . "N#C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F" . "LIENCHBZNNMNKG-OJFNHCPVSA-N" . "InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1" . "CCOc1ccccc1OCC1CNCCO1" . "CCOc1ccccc1OCC1CNCCO1" . "YWPHCCPCQOJSGZ-UHFFFAOYSA-N" . "InChI=1S/C13H19NO3/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11/h3-6,11,14H,2,7-10H2,1H3" . "c1ccc(cc1)CN1CCC(CC1)CCNc1nnc2c(c1)CCCc1c2cccc1" . "c1ccc(cc1)CN1CCC(CC1)CCNc1nnc2c(c1)CCCc1c2cccc1" . "ATHZIFFSGSWIAU-UHFFFAOYSA-N" . "InChI=1S/C27H32N4/c1-2-7-22(8-3-1)20-31-17-14-21(15-18-31)13-16-28-26-19-24-11-6-10-23-9-4-5-12-25(23)27(24)30-29-26/h1-5,7-9,12,19,21H,6,10-11,13-18,20H2,(H,28,29)" . "CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC" . "CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC" . "VDDUJINYXKGZLV-UHFFFAOYSA-N" . "InChI=1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(27-3)5-6-16(14)22(25)29-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3" . "O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C" . "O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C" . "HYJRTXSYDAFGJK-UHFFFAOYSA-N" . "InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1" . "CCCCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)[O-])[NH3+])O" . "CCCCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)[O-])[NH3+])O" . "YUUWWSOTAGQJFW-YIVRLKKSSA-N" . "InChI=1S/C20H42NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)19(21)18-26-27(23,24)25/h16-17,19-20,22H,2-15,18,21H2,1H3,(H2,23,24,25)/b17-16+/t19-,20+/m0/s1" . "COCCCCC[C@H]1CCc2c(C1)ccc(c2)[C@H]1CC[C@](C1)(N)CO" . "COCCCCC[C@H]1CCc2c(C1)ccc(c2)[C@H]1CC[C@](C1)(N)CO" . "CMZZUAAIKUIMSG-BULFRSBZSA-N" . "InChI=1S/C22H35NO2/c1-25-12-4-2-3-5-17-6-7-19-14-20(9-8-18(19)13-17)21-10-11-22(23,15-21)16-24/h8-9,14,17,21,24H,2-7,10-13,15-16,23H2,1H3/t17-,21-,22+/m0/s1" . "CCOCCC[C@@H]1CCc2c(C1)ccc(c2)[C@H]1CC[C@](C1)(N)CO" . "CCOCCC[C@@H]1CCc2c(C1)ccc(c2)[C@H]1CC[C@](C1)(N)CO" . "PYZTXDCPUPYILV-TYCQWZJGSA-N" . "InChI=1S/C21H33NO2/c1-2-24-11-3-4-16-5-6-18-13-19(8-7-17(18)12-16)20-9-10-21(22,14-20)15-23/h7-8,13,16,20,23H,2-6,9-12,14-15,22H2,1H3/t16-,20+,21-/m1/s1" . "OC[C@@]1(N)CC[C@@H](C1)c1ccc2c(c1)CC[C@H](C2)CCc1ccccc1OC" . "OC[C@@]1(N)CC[C@@H](C1)c1ccc2c(c1)CC[C@H](C2)CCc1ccccc1OC" . "QCMHGCDOZLWPOT-FMNCTDSISA-N" . "InChI=1S/C25H33NO2/c1-28-24-5-3-2-4-19(24)8-6-18-7-9-21-15-22(11-10-20(21)14-18)23-12-13-25(26,16-23)17-27/h2-5,10-11,15,18,23,27H,6-9,12-14,16-17,26H2,1H3/t18-,23+,25-/m1/s1" . "NC(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCc1cccnc1)CCc1ccc2c(c1)cccc2)Cc1ccc(cc1)c1ccccc1" . "NC(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCc1cccnc1)CCc1ccc2c(c1)cccc2)Cc1ccc(cc1)c1ccccc1" . "ZETNXOFZFFDUSA-RRXWZPBSSA-N" . "InChI=1S/C59H75N15O8/c60-50(75)35-47(52(61)77)72-53(78)44(17-8-30-67-58(62)63)70-56(81)49-19-10-32-74(49)57(82)46(18-9-31-68-59(64)65)71-55(80)48(34-38-22-26-42(27-23-38)40-13-2-1-3-14-40)73-54(79)45(69-51(76)20-6-11-39-12-7-29-66-36-39)28-24-37-21-25-41-15-4-5-16-43(41)33-37/h1-5,7,12-16,21-23,25-27,29,33,36,44-49H,6,8-11,17-20,24,28,30-32,34-35H2,(H2,60,75)(H2,61,77)(H,69,76)(H,70,81)(H,71,80)(H,72,78)(H,73,79)(H4,62,63,67)(H4,64,65,68)/t44-,45-,46-,47-,48-,49-/m0/s1" . "OC(=O)[C@@H](NC1=C(Br)C(=O)C21CCCCC2)Cc1ccc(cc1)Nc1nccc2c1cncc2" . "OC(=O)[C@@H](NC1=C(Br)C(=O)C21CCCCC2)Cc1ccc(cc1)Nc1nccc2c1cncc2" . "KYHVWHYLKOHLKA-FQEVSTJZSA-N" . "InChI=1S/C26H25BrN4O3/c27-21-22(26(23(21)32)10-2-1-3-11-26)31-20(25(33)34)14-16-4-6-18(7-5-16)30-24-19-15-28-12-8-17(19)9-13-29-24/h4-9,12-13,15,20,31H,1-3,10-11,14H2,(H,29,30)(H,33,34)/t20-/m0/s1" . "CCN(CCOC(=O)[C@@H](NC(=O)c1c(C)cccc1Cl)Cc1ccc(cc1)NC(=O)c1c(Cl)cccc1Cl)CC" . "CCN(CCOC(=O)[C@@H](NC(=O)c1c(C)cccc1Cl)Cc1ccc(cc1)NC(=O)c1c(Cl)cccc1Cl)CC" . "VZVNFRFMDNFPOM-VWLOTQADSA-N" . "InChI=1S/C30H32Cl3N3O4/c1-4-36(5-2)16-17-40-30(39)25(35-28(37)26-19(3)8-6-9-22(26)31)18-20-12-14-21(15-13-20)34-29(38)27-23(32)10-7-11-24(27)33/h6-15,25H,4-5,16-18H2,1-3H3,(H,34,38)(H,35,37)/t25-/m0/s1" . "CCOCc1cc(OC)c(c(c1)OC)c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)c1c(F)cccc1F" . "CCOCc1cc(OC)c(c(c1)OC)c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)c1c(F)cccc1F" . "YLFZHHDVRSYTKT-NRFANRHFSA-N" . "InChI=1S/C27H27F2NO6/c1-4-36-15-17-13-22(34-2)24(23(14-17)35-3)18-10-8-16(9-11-18)12-21(27(32)33)30-26(31)25-19(28)6-5-7-20(25)29/h5-11,13-14,21H,4,12,15H2,1-3H3,(H,30,31)(H,32,33)/t21-/m0/s1" . "C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@@H](CC1CC(=O)N(C(=O)C1)CC(=O)N(C)C)O" . "C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@@H](CC1CC(=O)N(C(=O)C1)CC(=O)N(C)C)O" . "OIJOPHJUWUWQSD-NZBPQXDJSA-N" . "InChI=1S/C19H30N2O5/c1-11-5-12(2)19(26)14(6-11)15(22)7-13-8-16(23)21(17(24)9-13)10-18(25)20(3)4/h11-15,22H,5-10H2,1-4H3/t11-,12-,14-,15+/m0/s1" . "CCC(C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1)(C)C" . "CCC(C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1)(C)C" . "OQAHHWOPVDDWHD-INIZCTEOSA-N" . "InChI=1S/C20H28N2O4/c1-4-20(2,3)17(23)18(24)22-12-6-10-16(22)19(25)26-13-7-9-15-8-5-11-21-14-15/h5,8,11,14,16H,4,6-7,9-10,12-13H2,1-3H3/t16-/m0/s1" . "COc1cc(CC[C@H](c2cccc(c2)OCCN2CCOCC2)OC(=O)[C@@H]2CCCCN2C(=O)[C@H](c2cc(OC)c(c(c2)OC)OC)C2CCCCC2)ccc1OC" . "COc1cc(CC[C@H](c2cccc(c2)OCCN2CCOCC2)OC(=O)[C@@H]2CCCCN2C(=O)[C@H](c2cc(OC)c(c(c2)OC)OC)C2CCCCC2)ccc1OC" . "ZDBWLRLGUBSLPG-FDHYQTMZSA-N" . "InChI=1S/C46H62N2O10/c1-51-39-20-18-32(28-40(39)52-2)17-19-38(34-14-11-15-36(29-34)57-27-24-47-22-25-56-26-23-47)58-46(50)37-16-9-10-21-48(37)45(49)43(33-12-7-6-8-13-33)35-30-41(53-3)44(55-5)42(31-35)54-4/h11,14-15,18,20,28-31,33,37-38,43H,6-10,12-13,16-17,19,21-27H2,1-5H3/t37-,38+,43-/m0/s1" . "COc1ccc(cc1OC)CC[C@H](c1cccc(c1)OCC(=O)O)OC(=O)[C@@H]1CCCCN1C(=O)[C@H](c1cc(OC)c(c(c1)OC)OC)C1CCCCC1" . "COc1ccc(cc1OC)CC[C@H](c1cccc(c1)OCC(=O)O)OC(=O)[C@@H]1CCCCN1C(=O)[C@H](c1cc(OC)c(c(c1)OC)OC)C1CCCCC1" . "OEQZPFWOEOOISR-AKTKKGGCSA-N" . "InChI=1S/C42H53NO11/c1-48-34-20-18-27(22-35(34)49-2)17-19-33(29-14-11-15-31(23-29)53-26-38(44)45)54-42(47)32-16-9-10-21-43(32)41(46)39(28-12-7-6-8-13-28)30-24-36(50-3)40(52-5)37(25-30)51-4/h11,14-15,18,20,22-25,28,32-33,39H,6-10,12-13,16-17,19,21,26H2,1-5H3,(H,44,45)/t32-,33+,39-/m0/s1" . "CCC(C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](c1cccc(c1)OCC(=O)O)CCc1ccc(c(c1)OC)OC)(C)C" . "CCC(C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](c1cccc(c1)OCC(=O)O)CCc1ccc(c(c1)OC)OC)(C)C" . "CKUAMXWZIHXZJC-LOSJGSFVSA-N" . "InChI=1S/C32H41NO9/c1-6-32(2,3)29(36)30(37)33-17-8-7-12-24(33)31(38)42-25(22-10-9-11-23(19-22)41-20-28(34)35)15-13-21-14-16-26(39-4)27(18-21)40-5/h9-11,14,16,18-19,24-25H,6-8,12-13,15,17,20H2,1-5H3,(H,34,35)/t24-,25+/m0/s1" . "CCOC(=O)Nc1ccc(cc1NC(=O)OC(C)(C)C)N(Cc1ccc(cc1)F)CC#C" . "CCOC(=O)Nc1ccc(cc1NC(=O)OC(C)(C)C)N(Cc1ccc(cc1)F)CC#C" . "FWQHRZXEQNUCSY-UHFFFAOYSA-N" . "InChI=1S/C24H28FN3O4/c1-6-14-28(16-17-8-10-18(25)11-9-17)19-12-13-20(26-22(29)31-7-2)21(15-19)27-23(30)32-24(3,4)5/h1,8-13,15H,7,14,16H2,2-5H3,(H,26,29)(H,27,30)" . "O=C(C(C)C)Nc1ccc(c(c1)C(=O)N[C@@H](c1ccccc1)C)N(C)C" . "O=C(C(C)C)Nc1ccc(c(c1)C(=O)N[C@@H](c1ccccc1)C)N(C)C" . "LDXZFQWWXMRMAS-OAHLLOKOSA-N" . "InChI=1S/C21H27N3O2/c1-14(2)20(25)23-17-11-12-19(24(4)5)18(13-17)21(26)22-15(3)16-9-7-6-8-10-16/h6-15H,1-5H3,(H,22,26)(H,23,25)/t15-/m1/s1" . "Clc1ccc(cc1)OC(C(=O)N[C@@H]1C2CC3CC1C[C@](C2)(C3)NS(=O)(=O)C)(C)C" . "Clc1ccc(cc1)OC(C(=O)N[C@@H]1C2CC3CC1C[C@](C2)(C3)NS(=O)(=O)C)(C)C" . "OSGIRCJRKSAODN-YLGPJNIESA-N" . "InChI=1S/C21H29ClN2O4S/c1-20(2,28-17-6-4-16(22)5-7-17)19(25)23-18-14-8-13-9-15(18)12-21(10-13,11-14)24-29(3,26)27/h4-7,13-15,18,24H,8-12H2,1-3H3,(H,23,25)/t13?,14?,15?,18-,21-" . "CCN1CCc2c(C1)c1NC(=O)/C(=N/O)/c1cc2c1ccccc1" . "CCN1CCc2c(C1)c1NC(=O)/C(=N/O)/c1cc2c1ccccc1" . "CHVQAXYXYIDNDC-UHFFFAOYSA-N" . "InChI=1S/C19H19N3O2/c1-2-22-9-8-13-14(12-6-4-3-5-7-12)10-15-17(16(13)11-22)20-19(23)18(15)21-24/h3-7,10,24H,2,8-9,11H2,1H3,(H,20,21,23)" . "Cc1ncc(c(c1)N1CC(C1)Oc1cc(F)c2c(c1)[nH]nc2N)F" . "Cc1ncc(c(c1)N1CC(C1)Oc1cc(F)c2c(c1)[nH]nc2N)F" . "YINCAUPIZHIQGR-UHFFFAOYSA-N" . "InChI=1S/C16H15F2N5O/c1-8-2-14(12(18)5-20-8)23-6-10(7-23)24-9-3-11(17)15-13(4-9)21-22-16(15)19/h2-5,10H,6-7H2,1H3,(H3,19,21,22)" . "CC(Cc1ccccc1)N" . "C[C@H](Cc1ccccc1)N" . "KWTSXDURSIMDCE-MRVPVSSYSA-N" . "InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1" . "COc1ccc(cc1OC)Oc1ccc(cc1)c1[nH]c2c(n1)cc(cc2)C(=N)N" . "COc1ccc(cc1OC)Oc1ccc(cc1)c1[nH]c2c(n1)cc(cc2)C(=N)N" . "QMVSFWHTZQVRCC-UHFFFAOYSA-N" . "InChI=1S/C22H20N4O3/c1-27-19-10-8-16(12-20(19)28-2)29-15-6-3-13(4-7-15)22-25-17-9-5-14(21(23)24)11-18(17)26-22/h3-12H,1-2H3,(H3,23,24)(H,25,26)" . "CCN(CCN(c1ccc2c(c1)oc(=O)c(c2)C(=N)N)Cc1ccc(cc1)Cl)CC" . "CCN(CCN(c1ccc2c(c1)oc(=O)c(c2)C(=N)N)Cc1ccc(cc1)Cl)CC" . "VVYLUODGYRRACW-UHFFFAOYSA-N" . "InChI=1S/C23H27ClN4O2/c1-3-27(4-2)11-12-28(15-16-5-8-18(24)9-6-16)19-10-7-17-13-20(22(25)26)23(29)30-21(17)14-19/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H3,25,26)" . "O=CCC(CCC=C(C)C)C" . "O=CCC(CCC=C(C)C)C" . "NEHNMFOYXAPHSD-UHFFFAOYSA-N" . "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3" . "CCCNC(=O)N1[C@H](CO)[C@H]([C@H]1C#N)c1ccc(cc1)c1ccc(c(c1)C(F)(F)F)C(F)(F)F" . "CCCNC(=O)N1[C@H](CO)[C@H]([C@H]1C#N)c1ccc(cc1)c1ccc(c(c1)C(F)(F)F)C(F)(F)F" . "FYPZBZFXJUJJRA-AQNXPRMDSA-N" . "InChI=1S/C23H21F6N3O2/c1-2-9-31-21(34)32-18(11-30)20(19(32)12-33)14-5-3-13(4-6-14)15-7-8-16(22(24,25)26)17(10-15)23(27,28)29/h3-8,10,18-20,33H,2,9,12H2,1H3,(H,31,34)/t18-,19-,20+/m1/s1" . "CN=C(NCCC[C@@H](C(=O)O)N)N" . "CN=C(NCCC[C@@H](C(=O)O)N)N" . "NTNWOCRCBQPEKQ-YFKPBYRVSA-N" . "InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1" . "OCC([C@@H](C(=O)NC[C@H](NC(=O)CCc1ccccc1F)C)O)(C)C" . "OCC([C@@H](C(=O)NC[C@H](NC(=O)CCc1ccccc1F)C)O)(C)C" . "HCDITNRDWJWQAL-MLGOLLRUSA-N" . "InChI=1S/C18H27FN2O4/c1-12(10-20-17(25)16(24)18(2,3)11-22)21-15(23)9-8-13-6-4-5-7-14(13)19/h4-7,12,16,22,24H,8-11H2,1-3H3,(H,20,25)(H,21,23)/t12-,16-/m1/s1" . "CCN(S(=O)(=O)c1ccc(cc1)c1csc(n1)Nc1ccc(c(c1)C)C)CC" . "CCN(S(=O)(=O)c1ccc(cc1)c1csc(n1)Nc1ccc(c(c1)C)C)CC" . "CFAYJTHICHSZHC-UHFFFAOYSA-N" . "InChI=1S/C21H25N3O2S2/c1-5-24(6-2)28(25,26)19-11-8-17(9-12-19)20-14-27-21(23-20)22-18-10-7-15(3)16(4)13-18/h7-14H,5-6H2,1-4H3,(H,22,23)" . "CCc1cc(O)cc2c1[nH]cc2/C=N/NC(=N)NCCc1ccc(cc1)C" . "CCc1cc(O)cc2c1[nH]cc2/C=N/NC(=N)NCCc1ccc(cc1)C" . "FEOVKCUPOVFERI-DHRITJCHSA-N" . "InChI=1S/C21H25N5O/c1-3-16-10-18(27)11-19-17(12-24-20(16)19)13-25-26-21(22)23-9-8-15-6-4-14(2)5-7-15/h4-7,10-13,24,27H,3,8-9H2,1-2H3,(H3,22,23,26)/b25-13+" . "Oc1ccc(cc1)[C@H]1C2=C(CCCC2=O)Nc2n1nc(n2)c1ccccc1Cl" . "Oc1ccc(cc1)[C@H]1C2=C(CCCC2=O)Nc2n1nc(n2)c1ccccc1Cl" . "USSMQJUVPNGHNK-IBGZPJMESA-N" . "InChI=1S/C21H17ClN4O2/c22-15-5-2-1-4-14(15)20-24-21-23-16-6-3-7-17(28)18(16)19(26(21)25-20)12-8-10-13(27)11-9-12/h1-2,4-5,8-11,19,27H,3,6-7H2,(H,23,24,25)/t19-/m0/s1" . "C1CCN(CC1)CCOc1cccc(c1)c1n[nH]c2c1cc(cc2)c1[nH]cnn1" . "C1CCN(CC1)CCOc1cccc(c1)c1n[nH]c2c1cc(cc2)c1[nH]cnn1" . "XDJCLCLBSGGNKS-UHFFFAOYSA-N" . "InChI=1S/C22H24N6O/c1-2-9-28(10-3-1)11-12-29-18-6-4-5-16(13-18)21-19-14-17(22-23-15-24-27-22)7-8-20(19)25-26-21/h4-8,13-15H,1-3,9-12H2,(H,25,26)(H,23,24,27)" . "O=C(c1cc2c(s1)c1ccccc1n(c2=O)C)NCCCN1CCCCCC1" . "O=C(c1cc2c(s1)c1ccccc1n(c2=O)C)NCCCN1CCCCCC1" . "NVFMMXVDSJFVNO-UHFFFAOYSA-N" . "InChI=1S/C22H27N3O2S/c1-24-18-10-5-4-9-16(18)20-17(22(24)27)15-19(28-20)21(26)23-11-8-14-25-12-6-2-3-7-13-25/h4-5,9-10,15H,2-3,6-8,11-14H2,1H3,(H,23,26)" . "Cc1nn(c(c1NS(=O)(=O)c1c(Cl)cc(cc1Cl)c1ccnc(c1)N1CCNCC1)C)C" . "Cc1nn(c(c1NS(=O)(=O)c1c(Cl)cc(cc1Cl)c1ccnc(c1)N1CCNCC1)C)C" . "XMBSZPZJLPTFMV-UHFFFAOYSA-N" . "InChI=1S/C21H24Cl2N6O2S/c1-13-20(14(2)28(3)26-13)27-32(30,31)21-17(22)10-16(11-18(21)23)15-4-5-25-19(12-15)29-8-6-24-7-9-29/h4-5,10-12,24,27H,6-9H2,1-3H3" . "CC[C@@H]([C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CCCNC(C)C)C" . "CC[C@@H]([C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CCCNC(C)C)C" . "JCVQBJTWWDYUFQ-MRUTUVJXSA-N" . "InChI=1S/C46H73N13O11S2/c1-5-26(4)38-45(69)54-30(14-9-17-35(48)60)41(65)56-32(21-36(49)61)42(66)57-33(24-72-71-23-28(47)39(63)55-31(43(67)58-38)20-27-12-7-6-8-13-27)46(70)59-19-11-16-34(59)44(68)53-29(15-10-18-51-25(2)3)40(64)52-22-37(50)62/h6-8,12-13,25-26,28-34,38,51H,5,9-11,14-24,47H2,1-4H3,(H2,48,60)(H2,49,61)(H2,50,62)(H,52,64)(H,53,68)(H,54,69)(H,55,63)(H,56,65)(H,57,66)(H,58,67)/t26-,28-,29-,30-,31-,32-,33-,34-,38-/m0/s1" . "CON1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O" . "CON1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O" . "AHFBZYAJIRDUHZ-UHFFFAOYSA-N" . "InChI=1S/C30H26F3NO3/c1-37-34-14-12-21(13-15-34)19-2-4-22(5-3-19)28-18-25(29(35)36)17-24-16-23(8-11-27(24)28)20-6-9-26(10-7-20)30(31,32)33/h2-11,16-18,21H,12-15H2,1H3,(H,35,36)" . "[O-][N+](=O)C1=Cc2ccccc2OC1C(F)(F)F" . "[O-][N+](=O)C1=Cc2ccccc2OC1C(F)(F)F" . "BGTJUOYBNMSGRC-UHFFFAOYSA-N" . "InChI=1S/C10H6F3NO3/c11-10(12,13)9-7(14(15)16)5-6-3-1-2-4-8(6)17-9/h1-5,9H" . "O=C1CC(Oc2c1c(O)cc1c2C=CCO1)c1ccccc1" . "O=C1CC(Oc2c1c(O)cc1c2C=CCO1)c1ccccc1" . "USERNAUADQTGOU-UHFFFAOYSA-N" . "InChI=1S/C18H14O4/c19-13-9-15(11-5-2-1-3-6-11)22-18-12-7-4-8-21-16(12)10-14(20)17(13)18/h1-7,10,15,20H,8-9H2" . "Cc1cc(C2CCCCC2)n(c(=O)c1)O" . "Cc1cc(C2CCCCC2)n(c(=O)c1)O" . "SCKYRAXSEDYPSA-UHFFFAOYSA-N" . "InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3" . "Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1ccc(cc1)Sc1ccc(c(c1)C)C" . "Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1ccc(cc1)Sc1ccc(c(c1)C)C" . "QXOGPTXQGKQSJT-UHFFFAOYSA-N" . "InChI=1S/C28H22N2O5S2/c1-15-7-10-19(13-16(15)2)36-18-11-8-17(9-12-18)30-22-14-23(37(33,34)35)26(29)25-24(22)27(31)20-5-3-4-6-21(20)28(25)32/h3-14,30H,29H2,1-2H3,(H,33,34,35)" . "OC[C@@H](C(=O)[O-])NC(=O)c1ccc[n+](c1)COC(=O)N1CCCC[C@@H]1[C@@H](c1ccccc1)C(=O)OC" . "OC[C@@H](C(=O)[O-])NC(=O)c1ccc[n+](c1)COC(=O)N1CCCC[C@@H]1[C@@H](c1ccccc1)C(=O)OC" . "UBZPNQRBUOBBLN-PWRODBHTSA-N" . "InChI=1S/C25H29N3O8/c1-35-24(33)21(17-8-3-2-4-9-17)20-11-5-6-13-28(20)25(34)36-16-27-12-7-10-18(14-27)22(30)26-19(15-29)23(31)32/h2-4,7-10,12,14,19-21,29H,5-6,11,13,15-16H2,1H3,(H-,26,30,31,32)/t19-,20+,21+/m0/s1" . "C([3H])NC(=O)C1CCC[C@@H]([C@@H]1CO[C@@H]1CC[C@@H](CC1)CC)NS(=O)(=O)C" . "C([3H])NC(=O)C1CCC[C@@H]([C@@H]1CO[C@@H]1CC[C@@H](CC1)CC)NS(=O)(=O)C" . "YYZIODGIFUUQEK-INRSUVRLSA-N" . "InChI=1S/C18H34N2O4S/c1-4-13-8-10-14(11-9-13)24-12-16-15(18(21)19-2)6-5-7-17(16)20-25(3,22)23/h13-17,20H,4-12H2,1-3H3,(H,19,21)/t13-,14+,15?,16-,17+/m1/s1/i2T" . "COC(=O)N1CCC[C@@H]([C@@H]1CO[C@@H]1CC[C@@H](CC1)c1ccccc1)NS(=O)(=O)C" . "COC(=O)N1CCC[C@@H]([C@@H]1CO[C@@H]1CC[C@@H](CC1)c1ccccc1)NS(=O)(=O)C" . "UXZAJSZFFARTEI-YRPNKDGESA-N" . "InChI=1S/C21H32N2O5S/c1-27-21(24)23-14-6-9-19(22-29(2,25)26)20(23)15-28-18-12-10-17(11-13-18)16-7-4-3-5-8-16/h3-5,7-8,17-20,22H,6,9-15H2,1-2H3/t17-,18+,19-,20-/m0/s1" . "COc1ccc(cc1S(=O)(=O)Nc1cccc(c1)CCNC(=O)c1ccccc1n1nccn1)c1cccc(c1)C(=O)N(C)C" . "COc1ccc(cc1S(=O)(=O)Nc1cccc(c1)CCNC(=O)c1ccccc1n1nccn1)c1cccc(c1)C(=O)N(C)C" . "AMTAVIZAVFJXIJ-UHFFFAOYSA-N" . "InChI=1S/C33H32N6O5S/c1-38(2)33(41)26-10-7-9-24(21-26)25-14-15-30(44-3)31(22-25)45(42,43)37-27-11-6-8-23(20-27)16-17-34-32(40)28-12-4-5-13-29(28)39-35-18-19-36-39/h4-15,18-22,37H,16-17H2,1-3H3,(H,34,40)" . "OC[C@H]1O[C@@]([C@@H]([C@@H]1O)O)(C#N)c1ccc2n1ncnc2N" . "OC[C@H]1O[C@@]([C@@H]([C@@H]1O)O)(C#N)c1ccc2n1ncnc2N" . "BRDWIEOJOWJCLU-LTGWCKQJSA-N" . "InChI=1S/C12H13N5O4/c13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8/h1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16)/t7-,9-,10-,12+/m1/s1" . "CCCOc1cc(Cl)cc(c1)c1cc(cn(c1=O)c1cccnc1)c1ccccc1C#N" . "CCCOc1cc(Cl)cc(c1)c1cc(cn(c1=O)c1cccnc1)c1ccccc1C#N" . "KFGXONJZGIXSGH-UHFFFAOYSA-N" . "InChI=1S/C26H20ClN3O2/c1-2-10-32-23-12-19(11-21(27)14-23)25-13-20(24-8-4-3-6-18(24)15-28)17-30(26(25)31)22-7-5-9-29-16-22/h3-9,11-14,16-17H,2,10H2,1H3" . "O=C[C@@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)COc1ccc(cc1Cl)Cl)C[C@@H]1CCNC1=O" . "O=C[C@@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)COc1ccc(cc1Cl)Cl)C[C@@H]1CCNC1=O" . "HKJKOHDJUKCNRG-ZEAPZOAHSA-N" . "InChI=1S/C23H27Cl2N3O5/c24-15-4-5-19(18(25)9-15)33-12-20(30)28-10-14-2-1-3-17(14)21(28)23(32)27-16(11-29)8-13-6-7-26-22(13)31/h4-5,9,11,13-14,16-17,21H,1-3,6-8,10,12H2,(H,26,31)(H,27,32)/t13-,14-,16-,17-,21-/m0/s1" . "O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)COc1ccc(cc1)OC(F)(F)F" . "O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)COc1ccc(cc1)OC(F)(F)F" . "RBWMYPKAPIYTJQ-VMBFOHBNSA-N" . "InChI=1S/C24H28F3N3O6/c1-23(2)17-10-30(18(32)12-35-15-3-5-16(6-4-15)36-24(25,26)27)20(19(17)23)22(34)29-14(11-31)9-13-7-8-28-21(13)33/h3-6,11,13-14,17,19-20H,7-10,12H2,1-2H3,(H,28,33)(H,29,34)/t13-,14-,17-,19-,20-/m0/s1" . "O=C(N1CCN(C[C@@H]1CN1CCCC1)S(=O)(=O)CCN1CCOCC1)CN1C(=O)COc2c1cc(Cl)c(c2)Cl" . "O=C(N1CCN(C[C@@H]1CN1CCCC1)S(=O)(=O)CCN1CCOCC1)CN1C(=O)COc2c1cc(Cl)c(c2)Cl" . "ABDQSBVMVCODPZ-IBGZPJMESA-N" . "InChI=1S/C25H35Cl2N5O6S/c26-20-13-22-23(14-21(20)27)38-18-25(34)32(22)17-24(33)31-6-5-30(16-19(31)15-29-3-1-2-4-29)39(35,36)12-9-28-7-10-37-11-8-28/h13-14,19H,1-12,15-18H2/t19-/m0/s1" . "O=C(N1CCN(C[C@@H]1CN1CCCC1)S(=O)(=O)CCN1CCN(CC1)C(=O)C)COc1cc(Cl)c(cc1Cl)Cl" . "O=C(N1CCN(C[C@@H]1CN1CCCC1)S(=O)(=O)CCN1CCN(CC1)C(=O)C)COc1cc(Cl)c(cc1Cl)Cl" . "WDLHORHSBVXUET-FQEVSTJZSA-N" . "InChI=1S/C25H36Cl3N5O5S/c1-19(34)31-8-6-29(7-9-31)12-13-39(36,37)32-10-11-33(20(17-32)16-30-4-2-3-5-30)25(35)18-38-24-15-22(27)21(26)14-23(24)28/h14-15,20H,2-13,16-18H2,1H3/t20-/m0/s1" . "Fc1ccc(cc1)C(=O)N1CCc2c(C1)oc(n2)COc1ccccc1" . "Fc1ccc(cc1)C(=O)N1CCc2c(C1)oc(n2)COc1ccccc1" . "QUZLMKNNIUSREV-UHFFFAOYSA-N" . "InChI=1S/C20H17FN2O3/c21-15-8-6-14(7-9-15)20(24)23-11-10-17-18(12-23)26-19(22-17)13-25-16-4-2-1-3-5-16/h1-9H,10-13H2" . "CC(C[C@@H](C(=O)NCC1=CCCC(=C1)C[N+](C)(C)C)NC(=O)C[C@@H]([C@@H](NC([C@@H](N(C(=O)[C@H](CC1=CC=CCC1)NC(=O)OC(C)(C)C)C)Cc1c[nH]c[nH+]1)O)CC1CCCCC1)O)C" . "CC(C[C@@H](C(=O)NCC1=CCCC(=C1)C[N+](C)(C)C)NC(=O)C[C@@H]([C@@H](NC([C@@H](N(C(=O)[C@H](CC1=CC=CCC1)NC(=O)OC(C)(C)C)C)Cc1c[nH]c[nH+]1)O)CC1CCCCC1)O)C" . "DAWSYEXBFLQUER-SLMIJXFKSA-P" . "InChI=1S/C49H80N8O7/c1-33(2)23-40(45(60)51-29-36-21-16-22-37(24-36)31-57(7,8)9)53-44(59)28-43(58)39(25-34-17-12-10-13-18-34)54-46(61)42(27-38-30-50-32-52-38)56(6)47(62)41(26-35-19-14-11-15-20-35)55-48(63)64-49(3,4)5/h11,14,19,21,24,30,32-34,39-43,46,54,58,61H,10,12-13,15-18,20,22-23,25-29,31H2,1-9H3,(H3-,50,51,52,53,55,59,60,63)/p+2/t39-,40-,41-,42-,43-,46?/m0/s1" . "CCCCCCCCCCCCCCCCOc1nc2ccc(cc2c(=O)o1)C" . "CCCCCCCCCCCCCCCCOc1nc2ccc(cc2c(=O)o1)C" . "MVCQKIKWYUURMU-UHFFFAOYSA-N" . "InChI=1S/C25H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-25-26-23-18-17-21(2)20-22(23)24(27)29-25/h17-18,20H,3-16,19H2,1-2H3" . "O=C[C@@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)CCc1cc(F)cc(c1)F)C[C@@H]1CCNC1=O" . "O=C[C@@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)CCc1cc(F)cc(c1)F)C[C@@H]1CCNC1=O" . "ZUAZJPLYYVHKFN-NAFADOBPSA-N" . "InChI=1S/C24H29F2N3O4/c25-17-8-14(9-18(26)11-17)4-5-21(31)29-12-16-2-1-3-20(16)22(29)24(33)28-19(13-30)10-15-6-7-27-23(15)32/h8-9,11,13,15-16,19-20,22H,1-7,10,12H2,(H,27,32)(H,28,33)/t15-,16-,19-,20-,22-/m0/s1" . "CCCCCCC(=O)OC(COC(=O)CCCCCC)COC(=O)CCCCCC" . "CCCCCCC(=O)OC(COC(=O)CCCCCC)COC(=O)CCCCCC" . "PJHKBYALYHRYSK-UHFFFAOYSA-N" . "InChI=1S/C24H44O6/c1-4-7-10-13-16-22(25)28-19-21(30-24(27)18-15-12-9-6-3)20-29-23(26)17-14-11-8-5-2/h21H,4-20H2,1-3H3" . 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"ZVXLKCOOOKREJD-OERAVCCFSA-N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N)CO)C)CO)CO)C)[C@H](CC)C)CC(C)C)Cc1c[nH]c2c1cccc2)CCC(=O)N)C(C)C)Cc1ccccc1)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)C(NC(=O)[C@H](Cc1ccc(cc1)O)N)(C)C)CCC(=O)O)Cc1ccccc1)CO)CC(=O)O)Cc1ccc(cc1)O)CO)(C)C)CC(C)C)CC(=O)O)CCCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)O)CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)O)C)CCC(=O)N" . "CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CCCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)O)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(cc1)O)N" . "AAPYRSPHYSKGIS-MCNPHUAVSA-N" . "InChI=1S/C225H348N48O68/c1-23-126(10)183(214(327)242-131(15)190(303)244-148(80-84-168(228)283)196(309)245-145(64-50-52-88-226)195(308)240-130(14)191(304)248-154(105-135-58-42-40-43-59-135)205(318)263-182(125(8)9)212(325)247-149(81-85-169(229)284)197(310)251-156(108-139-111-234-144-63-49-48-62-142(139)144)201(314)249-151(102-123(4)5)204(317)265-184(127(11)24-2)213(326)241-129(13)189(302)236-112-173(288)235-115-177(292)270-92-54-66-164(270)210(323)258-161(118-276)208(321)256-160(117-275)194(307)238-113-174(289)239-132(16)218(331)272-94-56-68-166(272)220(333)273-95-57-69-167(273)219(332)271-93-55-67-165(271)211(324)255-159(116-274)188(230)301)264-198(311)146(65-51-53-89-231-170(285)70-46-38-36-34-32-30-28-26-27-29-31-33-35-37-39-47-71-172(287)243-150(221(334)335)82-86-171(286)232-90-96-338-98-100-340-121-176(291)233-91-97-339-99-101-341-122-181(299)300)246-202(315)157(109-179(295)296)252-199(312)152(103-124(6)7)261-223(337)225(21,22)269-217(330)185(128(12)25-3)266-209(322)163(120-278)257-200(313)153(107-138-74-78-141(282)79-75-138)250-203(316)158(110-180(297)298)253-207(320)162(119-277)259-216(329)187(134(18)280)267-206(319)155(106-136-60-44-41-45-61-136)254-215(328)186(133(17)279)262-175(290)114-237-193(306)147(83-87-178(293)294)260-222(336)224(19,20)268-192(305)143(227)104-137-72-76-140(281)77-73-137/h40-45,48-49,58-63,72-79,111,123-134,143,145-167,182-187,234,274-282H,23-39,46-47,50-57,64-71,80-110,112-122,226-227H2,1-22H3,(H2,228,283)(H2,229,284)(H2,230,301)(H,231,285)(H,232,286)(H,233,291)(H,235,288)(H,236,302)(H,237,306)(H,238,307)(H,239,289)(H,240,308)(H,241,326)(H,242,327)(H,243,287)(H,244,303)(H,245,309)(H,246,315)(H,247,325)(H,248,304)(H,249,314)(H,250,316)(H,251,310)(H,252,312)(H,253,320)(H,254,328)(H,255,324)(H,256,321)(H,257,313)(H,258,323)(H,259,329)(H,260,336)(H,261,337)(H,262,290)(H,263,318)(H,264,311)(H,265,317)(H,266,322)(H,267,319)(H,268,305)(H,269,330)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H,334,335)/t126-,127-,128-,129-,130-,131-,132-,133+,134+,143-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,182-,183-,184-,185-,186-,187-/m0/s1" . "CC[C@H](n1ncn(c1=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1CO[C@@](C1)(Cn1cncn1)c1ccc(cc1F)F)[C@@H](O)C" . "CC[C@H](n1ncn(c1=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)OC[C@@H]1CO[C@@](C1)(Cn1cncn1)c1ccc(cc1F)F)[C@@H](O)C" . "RAGOYPUPXAKGKH-XAKZXMRKSA-N" . "InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1" . "CCOC(=O)C1=C[C@H]([C@@H]([C@H](C1)N)NC(=O)C)OC(CC)CC" . "CCOC(=O)C1=C[C@H]([C@@H]([C@H](C1)N)NC(=O)C)OC(CC)CC" . "VSZGPKBBMSAYNT-RRFJBIMHSA-N" . "InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1" . "CCC(n1ncn(c1=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)OC[C@H]1CO[C@](O1)(Cn1cncn1)c1ccc(cc1Cl)Cl)C" . "CCC(n1ncn(c1=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)OC[C@H]1CO[C@](O1)(Cn1cncn1)c1ccc(cc1Cl)Cl)C" . "VHVPQPYKVGDNFY-ZPGVKDDISA-N" . "InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1" . "Fc1ccc(cc1)Oc1cccc(c1)/C=C/C(N(C(=O)N)O)C" . "Fc1ccc(cc1)Oc1cccc(c1)/C=C/C(N(C(=O)N)O)C" . "UAIYNMRLUHHRMF-AATRIKPKSA-N" . "InChI=1S/C17H17FN2O3/c1-12(20(22)17(19)21)5-6-13-3-2-4-16(11-13)23-15-9-7-14(18)8-10-15/h2-12,22H,1H3,(H2,19,21)/b6-5+" . "N#CCCn1ncc(c1)c1nc(ncc1F)Nc1ccc2c(c1)ccn2S(=O)(=O)C(F)(F)F" . "N#CCCn1ncc(c1)c1nc(ncc1F)Nc1ccc2c(c1)ccn2S(=O)(=O)C(F)(F)F" . "CGDRNYQWTORWBT-UHFFFAOYSA-N" . "InChI=1S/C19H13F4N7O2S/c20-15-10-25-18(28-17(15)13-9-26-29(11-13)6-1-5-24)27-14-2-3-16-12(8-14)4-7-30(16)33(31,32)19(21,22)23/h2-4,7-11H,1,6H2,(H,25,27,28)" . "O=C1CCC(C(=O)N1)N1Cc2c(C1=O)ccc(c2)CNC(=O)C(c1ccc(cc1)Cl)(F)F" . "O=C1CCC(C(=O)N1)N1Cc2c(C1=O)ccc(c2)CNC(=O)C(c1ccc(cc1)Cl)(F)F" . "PWBHUSLMHZLGRN-UHFFFAOYSA-N" . "InChI=1S/C22H18ClF2N3O4/c23-15-4-2-14(3-5-15)22(24,25)21(32)26-10-12-1-6-16-13(9-12)11-28(20(16)31)17-7-8-18(29)27-19(17)30/h1-6,9,17H,7-8,10-11H2,(H,26,32)(H,27,29,30)" . "c1ccc2c(c1)SCc1c2[nH]c2c1cccc2" . "c1ccc2c(c1)SCc1c2[nH]c2c1cccc2" . "ZGOOPZVQMLHPFM-UHFFFAOYSA-N" . "InChI=1S/C15H11NS/c1-3-7-13-10(5-1)12-9-17-14-8-4-2-6-11(14)15(12)16-13/h1-8,16H,9H2" . "Cc1cc(C)cc(c1)[C@@H]1c2cc(C)ccc2NC(=O)CN1C(=O)c1ccc(s1)Br" . "Cc1cc(C)cc(c1)[C@@H]1c2cc(C)ccc2NC(=O)CN1C(=O)c1ccc(s1)Br" . "NIPTUMFVYBXSMZ-JOCHJYFZSA-N" . "InChI=1S/C23H21BrN2O2S/c1-13-4-5-18-17(11-13)22(16-9-14(2)8-15(3)10-16)26(12-21(27)25-18)23(28)19-6-7-20(24)29-19/h4-11,22H,12H2,1-3H3,(H,25,27)/t22-/m1/s1" . "COc1cc(cc(c1OC)OC)C(=O)c1cnc([nH]1)c1c[nH]c2c1cccc2" . "COc1cc(cc(c1OC)OC)C(=O)c1cnc([nH]1)c1c[nH]c2c1cccc2" . "WQGVHOVEXMOLOK-UHFFFAOYSA-N" . "InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19(25)16-11-23-21(24-16)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,24)" . "COc1ccc(cc1)[C@@H]1N(CCc2c1[nH]c1c2cc(cc1)Cl)C(=O)Oc1ccc(cc1)Cl" . "COc1ccc(cc1)[C@@H]1N(CCc2c1[nH]c1c2cc(cc1)Cl)C(=O)Oc1ccc(cc1)Cl" . "SRSHBZRURUNOSM-DEOSSOPVSA-N" . "InChI=1S/C25H20Cl2N2O3/c1-31-18-7-2-15(3-8-18)24-23-20(21-14-17(27)6-11-22(21)28-23)12-13-29(24)25(30)32-19-9-4-16(26)5-10-19/h2-11,14,24,28H,12-13H2,1H3/t24-/m0/s1" . "COc1cc2cc(cnc2cc1OC)c1ccc(cn1)CC(=O)Nc1onc(c1)C(C(F)(F)F)(C)C" . "COc1cc2cc(cnc2cc1OC)c1ccc(cn1)CC(=O)Nc1onc(c1)C(C(F)(F)F)(C)C" . "KOLQINCWMXQEOF-UHFFFAOYSA-N" . "InChI=1S/C25H23F3N4O4/c1-24(2,25(26,27)28)21-11-23(36-32-21)31-22(33)7-14-5-6-17(29-12-14)16-8-15-9-19(34-3)20(35-4)10-18(15)30-13-16/h5-6,8-13H,7H2,1-4H3,(H,31,33)" . "O=C(c1cccc(n1)C(F)(F)F)Nc1cc2cn(nc2cc1C(O)(C)C)CCS(=O)(=O)C" . "O=C(c1cccc(n1)C(F)(F)F)Nc1cc2cn(nc2cc1C(O)(C)C)CCS(=O)(=O)C" . "OQAMEEFUUFJZRS-UHFFFAOYSA-N" . "InChI=1S/C20H21F3N4O4S/c1-19(2,29)13-10-15-12(11-27(26-15)7-8-32(3,30)31)9-16(13)25-18(28)14-5-4-6-17(24-14)20(21,22)23/h4-6,9-11,29H,7-8H2,1-3H3,(H,25,28)" . "COCCOc1cc2c(cc1Oc1ccnc(c1)NC(=O)c1ccc(cc1)C1CCN(CC1)CCO)ccn2C(=O)NC" . "COCCOc1cc2c(cc1Oc1ccnc(c1)NC(=O)c1ccc(cc1)C1CCN(CC1)CCO)ccn2C(=O)NC" . "IBHOLSBDZMIPPT-UHFFFAOYSA-N" . "InChI=1S/C32H37N5O6/c1-33-32(40)37-14-10-25-19-29(28(21-27(25)37)42-18-17-41-2)43-26-7-11-34-30(20-26)35-31(39)24-5-3-22(4-6-24)23-8-12-36(13-9-23)15-16-38/h3-7,10-11,14,19-21,23,38H,8-9,12-13,15-18H2,1-2H3,(H,33,40)(H,34,35,39)" . "OC[C@@H]1CC[C@H](CO1)Nc1ncnc2c1c(c[nH]2)C(=O)c1ccc(cc1Cl)Oc1ccccc1" . "OC[C@@H]1CC[C@H](CO1)Nc1ncnc2c1c(c[nH]2)C(=O)c1ccc(cc1Cl)Oc1ccccc1" . "JSFCZQSJQXFJDS-QAPCUYQASA-N" . "InChI=1S/C25H23ClN4O4/c26-21-10-17(34-16-4-2-1-3-5-16)8-9-19(21)23(32)20-11-27-24-22(20)25(29-14-28-24)30-15-6-7-18(12-31)33-13-15/h1-5,8-11,14-15,18,31H,6-7,12-13H2,(H2,27,28,29,30)/t15-,18+/m1/s1" . "Fc1ccc2c(c1)c(co2)C1=C(C(=O)NC1=O)c1cn(c2c1cc1OCOc1c2)C" . "Fc1ccc2c(c1)c(co2)C1=C(C(=O)NC1=O)c1cn(c2c1cc1OCOc1c2)C" . "FARXPFGGGGLENU-UHFFFAOYSA-N" . "InChI=1S/C22H13FN2O5/c1-25-7-13(11-5-17-18(6-15(11)25)30-9-29-17)19-20(22(27)24-21(19)26)14-8-28-16-3-2-10(23)4-12(14)16/h2-8H,9H2,1H3,(H,24,26,27)" . "COc1ncc(cn1)c1n[nH]c2c1cc1CN([C@@H]3CCCN(C3)Cc3ccccc3)C(=O)Nc1c2" . "COc1ncc(cn1)c1n[nH]c2c1cc1CN([C@@H]3CCCN(C3)Cc3ccccc3)C(=O)Nc1c2" . "SQNCXVDXNAUREB-HXUWFJFHSA-N" . "InChI=1S/C26H27N7O2/c1-35-25-27-12-19(13-28-25)24-21-10-18-15-33(26(34)29-22(18)11-23(21)30-31-24)20-8-5-9-32(16-20)14-17-6-3-2-4-7-17/h2-4,6-7,10-13,20H,5,8-9,14-16H2,1H3,(H,29,34)(H,30,31)/t20-/m1/s1" . "N#CC[C@H](C1C([2H])([2H])C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])n1ncc(c1)c1ncnc2c1cc[nH]2" . "N#CC[C@H](C1C([2H])([2H])C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])n1ncc(c1)c1ncnc2c1cc[nH]2" . "HFNKQEVNSGCOJV-FBXGHSCESA-N" . "InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1/i1D2,2D2,3D2,4D2" . "O=C(c1ccc(nc1C)Nc1ncc(c(n1)c1ccc2c(c1)n(C(C)C)c(n2)C)F)N1CCC(CC1)NC1CC1" . "O=C(c1ccc(nc1C)Nc1ncc(c(n1)c1ccc2c(c1)n(C(C)C)c(n2)C)F)N1CCC(CC1)NC1CC1" . "FDSYOFCVZBGPOV-UHFFFAOYSA-N" . "InChI=1S/C30H35FN8O/c1-17(2)39-19(4)34-25-9-5-20(15-26(25)39)28-24(31)16-32-30(37-28)36-27-10-8-23(18(3)33-27)29(40)38-13-11-22(12-14-38)35-21-6-7-21/h5,8-10,15-17,21-22,35H,6-7,11-14H2,1-4H3,(H,32,33,36,37)" . "Nc1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc2c1cccc2" . "Nc1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc2c1cccc2" . "XUMZHCJVSWBFGZ-UHFFFAOYSA-N" . "InChI=1S/C18H13F3N2O/c19-18(20,21)13-8-12(9-14(22)10-13)17(24)23-16-7-3-5-11-4-1-2-6-15(11)16/h1-10H,22H2,(H,23,24)" . "O=C1C(=O)c2cccnc2c2c1cccn2" . "O=C1C(=O)c2cccnc2c2c1cccn2" . "KCALAFIVPCAXJI-UHFFFAOYSA-N" . "InChI=1S/C12H6N2O2/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10/h1-6H" . "COc1cccc2c1occ2C1=C(C(=O)NC1=O)c1cn(c2c1cc(F)c(c2)I)C" . "COc1cccc2c1occ2C1=C(C(=O)NC1=O)c1cn(c2c1cc(F)c(c2)I)C" . "JBKILIGSDAQHSL-UHFFFAOYSA-N" . "InChI=1S/C22H14FIN2O4/c1-26-8-12(11-6-14(23)15(24)7-16(11)26)18-19(22(28)25-21(18)27)13-9-30-20-10(13)4-3-5-17(20)29-2/h3-9H,1-2H3,(H,25,27,28)" . "O=C(C(C)(C)C)NCc1ccc(c(c1)c1[nH]n(c(=O)n1)c1ccc(cc1)C(F)(F)F)Cl" . "O=C(C(C)(C)C)NCc1ccc(c(c1)c1[nH]n(c(=O)n1)c1ccc(cc1)C(F)(F)F)Cl" . "DOVBVLUPCQSAGE-UHFFFAOYSA-N" . "InChI=1S/C21H20ClF3N4O2/c1-20(2,3)18(30)26-11-12-4-9-16(22)15(10-12)17-27-19(31)29(28-17)14-7-5-13(6-8-14)21(23,24)25/h4-10H,11H2,1-3H3,(H,26,30)(H,27,28,31)" . "Nc1nc(cc(n1)c1ccc(cc1)C[C@@H](C(=O)O)N)OC(C(F)(F)F)c1ccc(cc1)c1cccc(c1)F" . "Nc1nc(cc(n1)c1ccc(cc1)C[C@@H](C(=O)O)N)OC(C(F)(F)F)c1ccc(cc1)c1cccc(c1)F" . "JZWUKILTKYJLCN-XEGCMXMBSA-N" . "InChI=1S/C27H22F4N4O3/c28-20-3-1-2-19(13-20)16-8-10-18(11-9-16)24(27(29,30)31)38-23-14-22(34-26(33)35-23)17-6-4-15(5-7-17)12-21(32)25(36)37/h1-11,13-14,21,24H,12,32H2,(H,36,37)(H2,33,34,35)/t21-,24?/m0/s1" . "COc1ccc(cc1c1ccc(cc1)O)c1onc(n1)c1ccc(cc1)C[C@@H](C(=O)O)N" . "COc1ccc(cc1c1ccc(cc1)O)c1onc(n1)c1ccc(cc1)C[C@@H](C(=O)O)N" . "DAAXYQZSKBPJOX-FQEVSTJZSA-N" . "InChI=1S/C24H21N3O5/c1-31-21-11-8-17(13-19(21)15-6-9-18(28)10-7-15)23-26-22(27-32-23)16-4-2-14(3-5-16)12-20(25)24(29)30/h2-11,13,20,28H,12,25H2,1H3,(H,29,30)/t20-/m0/s1" . "CC[C@@H]([C@H]1CN(CCCN1C(=O)c1cc(C)ccc1n1nccn1)c1oc2c(n1)cc(cc2)Cl)C" . "CC[C@@H]([C@H]1CN(CCCN1C(=O)c1cc(C)ccc1n1nccn1)c1oc2c(n1)cc(cc2)Cl)C" . "CRLKYMWQHWKXAE-FDDCHVKYSA-N" . "InChI=1S/C26H29ClN6O2/c1-4-18(3)23-16-31(26-30-21-15-19(27)7-9-24(21)35-26)12-5-13-32(23)25(34)20-14-17(2)6-8-22(20)33-28-10-11-29-33/h6-11,14-15,18,23H,4-5,12-13,16H2,1-3H3/t18-,23+/m0/s1" . "N[C@H](C(=O)O)[C@@H]1CC(=NO1)Cl" . "N[C@H](C(=O)O)[C@@H]1CC(=NO1)Cl" . "QAWIHIJWNYOLBE-OKKQSCSOSA-N" . "InChI=1S/C5H7ClN2O3/c6-3-1-2(11-8-3)4(7)5(9)10/h2,4H,1,7H2,(H,9,10)/t2-,4-/m0/s1" . "CCOC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](N(C(=O)CCl)C)Cc1ccccc1)CCCNC(=O)N" . "CCOC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](N(C(=O)CCl)C)Cc1ccccc1)CCCNC(=O)N" . "SUAZSPTYLUTEDZ-ORYMTKCHSA-N" . "InChI=1S/C37H48ClN7O7/c1-3-52-36(50)28(16-11-18-40-37(39)51)42-33(47)29(21-25-23-41-27-15-8-7-14-26(25)27)43-34(48)30-17-9-10-19-45(30)35(49)31(44(2)32(46)22-38)20-24-12-5-4-6-13-24/h4-8,12-15,23,28-31,41H,3,9-11,16-22H2,1-2H3,(H,42,47)(H,43,48)(H3,39,40,51)/t28-,29-,30-,31-/m0/s1" . "Fc1ccc2c(c1)nc([nH]2)C[C@H](C(=O)O)NC(=O)c1ccc2c(c1)cccc2" . "Fc1ccc2c(c1)nc([nH]2)C[C@H](C(=O)O)NC(=O)c1ccc2c(c1)cccc2" . "NKMPZFCFXCJBEY-GOSISDBHSA-N" . "InChI=1S/C21H16FN3O3/c22-15-7-8-16-17(10-15)24-19(23-16)11-18(21(27)28)25-20(26)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,18H,11H2,(H,23,24)(H,25,26)(H,27,28)/t18-/m1/s1" . "Fc1ccc2c(c1)[nH]c(c2)CC1(CSC(=N1)CCc1c(Cl)cccc1Cl)C(=O)O" . "Fc1ccc2c(c1)[nH]c(c2)CC1(CSC(=N1)CCc1c(Cl)cccc1Cl)C(=O)O" . "FHXPZYVYXRJXQI-UHFFFAOYSA-N" . "InChI=1S/C21H17Cl2FN2O2S/c22-16-2-1-3-17(23)15(16)6-7-19-26-21(11-29-19,20(27)28)10-14-8-12-4-5-13(24)9-18(12)25-14/h1-5,8-9,25H,6-7,10-11H2,(H,27,28)" . "O=C(CC1c2ccccc2c2c1cccc2)N[C@@H](C(=O)O)Cc1[nH]c2c(c1)ccc(c2)F" . "O=C(CC1c2ccccc2c2c1cccc2)N[C@@H](C(=O)O)Cc1[nH]c2c(c1)ccc(c2)F" . "ZWSNYKPAUKAJCT-XMMPIXPASA-N" . "InChI=1S/C26H21FN2O3/c27-16-10-9-15-11-17(28-23(15)12-16)13-24(26(31)32)29-25(30)14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22,24,28H,13-14H2,(H,29,30)(H,31,32)/t24-/m1/s1" . "COc1cc(cc2c1n(C/C=C/Cn1/c(=N/C(=O)c3cc(nn3CC)C)/[nH]c3c1c(OCCCN1CCOCC1)cc(c3)C(=O)N)/c(=N/C(=O)c1cc(nn1CC)C)/[nH]2)c1ncn[nH]1" . "COc1cc(cc2c1n(C/C=C/Cn1/c(=N/C(=O)c3cc(nn3CC)C)/[nH]c3c1c(OCCCN1CCOCC1)cc(c3)C(=O)N)/c(=N/C(=O)c1cc(nn1CC)C)/[nH]2)c1ncn[nH]1" . "RZBQZKAZIZWIRZ-CMDGGOBGSA-N" . "InChI=1S/C43H51N15O6/c1-6-57-32(19-26(3)52-57)40(60)49-42-48-31-22-29(39-45-25-46-51-39)24-34(62-5)36(31)55(42)12-8-9-13-56-37-30(47-43(56)50-41(61)33-20-27(4)53-58(33)7-2)21-28(38(44)59)23-35(37)64-16-10-11-54-14-17-63-18-15-54/h8-9,19-25H,6-7,10-18H2,1-5H3,(H2,44,59)(H,45,46,51)(H,47,50,61)(H,48,49,60)/b9-8+" . "CC[C@@H]([C@H]1NC(=O)[C@@H](NC(=O)[C@H](N(C(=O)[C@@H]2CCCN2C(=O)C(=O)C)C)CC(C)C)[C@@H](C)OC(=O)[C@H](Cc2ccc(cc2)OC)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C(=O)[C@@H](OC(=O)C[C@@H]1O)C(C)C)C)CC(C)C)C" . "CC[C@@H]([C@H]1NC(=O)[C@@H](NC(=O)[C@H](N(C(=O)[C@@H]2CCCN2C(=O)C(=O)C)C)CC(C)C)[C@@H](C)OC(=O)[C@H](Cc2ccc(cc2)OC)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C(=O)[C@@H](OC(=O)C[C@@H]1O)C(C)C)C)CC(C)C)C" . "UUSZLLQJYRSZIS-LXNNNBEUSA-N" . "InChI=1S/C57H87N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35(10)65/h20-23,30-34,36,39-44,46-47,49,66H,15-19,24-29H2,1-14H3,(H,58,69)(H,59,71)(H,60,70)/t33-,34-,36+,39-,40-,41-,42+,43-,44-,46+,47-,49-/m0/s1" . "O=C(c1cnc(nc1)Oc1ccccc1)Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1" . "O=C(c1cnc(nc1)Oc1ccccc1)Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1" . "NLSSUSRERAMBTA-UHFFFAOYSA-N" . "InChI=1S/C27H29N5O4/c33-25(21-18-28-27(29-19-21)36-24-4-2-1-3-5-24)30-22-6-8-23(9-7-22)31-12-10-20(11-13-31)26(34)32-14-16-35-17-15-32/h1-9,18-20H,10-17H2,(H,30,33)" . "Fc1ccc(cc1)c1cc(nn1c1ccc(cc1)S(=O)(=O)C)C(F)(F)F" . "Fc1ccc(cc1)c1cc(nn1c1ccc(cc1)S(=O)(=O)C)C(F)(F)F" . "JHBIMJKLBUMNAU-UHFFFAOYSA-N" . "InChI=1S/C17H12F4N2O2S/c1-26(24,25)14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3" . "O=C(N1CS(=O)(=O)c2c1cccc2)c1cc(Cl)c(c(c1)Cl)O" . "O=C(N1CS(=O)(=O)c2c1cccc2)c1cc(Cl)c(c(c1)Cl)O" . "VOFLAIHEELWYGO-UHFFFAOYSA-N" . "InChI=1S/C14H9Cl2NO4S/c15-9-5-8(6-10(16)13(9)18)14(19)17-7-22(20,21)12-4-2-1-3-11(12)17/h1-6,18H,7H2" . "C=C/C=C/C[C@H]([C@H]([C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C" . "C=C/C=C/C[C@H]([C@H]([C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C" . "BICRTLVBTLFLRD-PTWUADNWSA-N" . "InChI=1S/C63H111N11O12/c1-25-27-28-29-41(15)53(76)52-57(80)66-44(26-2)59(82)68(18)34-49(75)69(19)45(30-35(3)4)56(79)67-50(39(11)12)62(85)70(20)46(31-36(5)6)55(78)64-42(16)54(77)65-43(17)58(81)71(21)47(32-37(7)8)60(83)72(22)48(33-38(9)10)61(84)73(23)51(40(13)14)63(86)74(52)24/h25,27-28,35-48,50-53,76H,1,26,29-34H2,2-24H3,(H,64,78)(H,65,77)(H,66,80)(H,67,79)/b28-27+/t41-,42+,43-,44+,45+,46+,47+,48+,50+,51+,52+,53-/m1/s1" . "N#C/C=C/c1cc(C)c(c(c1)C)Nc1ccnc(n1)Nc1ccc(cc1)C#N" . "N#C/C=C/c1cc(C)c(c(c1)C)Nc1ccnc(n1)Nc1ccc(cc1)C#N" . "YIBOMRUWOWDFLG-ONEGZZNKSA-N" . "InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+" . "Fc1ccc(c(c1)F)CNC(=O)c1cn2C[C@H]3OC[C@@H](N3C(=O)c2c(c1=O)O)C" . "Fc1ccc(c(c1)F)CNC(=O)c1cn2C[C@H]3OC[C@@H](N3C(=O)c2c(c1=O)O)C" . "WCWSTNLSLKSJPK-LKFCYVNXSA-N" . "InChI=1S/C19H17F2N3O5/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27)/t9-,14+/m0/s1" . "COc1cc(O)ccc1/C=C/1/CCCN=C1c1cccnc1" . "COc1cc(O)ccc1/C=C/1/CCCN=C1c1cccnc1" . "KXAAIPFSUGPVMQ-GXDHUFHOSA-N" . "InChI=1S/C18H18N2O2/c1-22-17-11-16(21)7-6-13(17)10-14-4-3-9-20-18(14)15-5-2-8-19-12-15/h2,5-8,10-12,21H,3-4,9H2,1H3/b14-10+" . "COc1cc(OC)ccc1/C=C/1/CCCN=C1c1cccnc1" . "COc1cc(OC)ccc1/C=C/1/CCCN=C1c1cccnc1" . "RPYWXZCFYPVCNQ-RVDMUPIBSA-N" . "InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3/b15-11+" . "O=C(N1CCN2CCC1CC2)c1ccc(o1)c1cccc(c1)C(F)(F)F" . "O=C(N1CCN2CCC1CC2)c1ccc(o1)c1cccc(c1)C(F)(F)F" . "VSOWCIMCDKXVRC-UHFFFAOYSA-N" . "InChI=1S/C19H19F3N2O2/c20-19(21,22)14-3-1-2-13(12-14)16-4-5-17(26-16)18(25)24-11-10-23-8-6-15(24)7-9-23/h1-5,12,15H,6-11H2" . "O[C@H]1C[C@H](O)C(=C)/C(=C/C=C/2/CCC[C@]3([C@H]2CC=C3[C@@H](C/C=C/S(=O)(=O)C(C)(C)C)C)C)/C1" . "O[C@H]1C[C@H](O)C(=C)/C(=C/C=C/2/CCC[C@]3([C@H]2CC=C3[C@@H](C/C=C/S(=O)(=O)C(C)(C)C)C)C)/C1" . "RFQHCLMGLJGZNV-UXXOMSPDSA-N" . "InChI=1S/C28H42O4S/c1-19(9-8-16-33(31,32)27(3,4)5)24-13-14-25-21(10-7-15-28(24,25)6)11-12-22-17-23(29)18-26(30)20(22)2/h8,11-13,16,19,23,25-26,29-30H,2,7,9-10,14-15,17-18H2,1,3-6H3/b16-8+,21-11+,22-12-/t19-,23-,25+,26+,28-/m1/s1" . "CCC(C(n1cncn1)c1ccc(cc1)Nc1nc2c(s1)cccc2)CC" . "CCC(C(n1cncn1)c1ccc(cc1)Nc1nc2c(s1)cccc2)CC" . "SNFYYXUGUBUECJ-UHFFFAOYSA-N" . "InChI=1S/C21H23N5S/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)" . "C[C@@H]([C@@H](n1cncc1)c1ccc(cc1)Nc1nc2c(s1)cccc2)N(C)C" . "C[C@@H]([C@@H](n1cncc1)c1ccc(cc1)Nc1nc2c(s1)cccc2)N(C)C" . "WGVPSTQRQHGEEP-MGPUTAFESA-N" . "InChI=1S/C21H23N5S/c1-15(25(2)3)20(26-13-12-22-14-26)16-8-10-17(11-9-16)23-21-24-18-6-4-5-7-19(18)27-21/h4-15,20H,1-3H3,(H,23,24)/t15-,20+/m0/s1" . "COc1ccc(cc1C(=O)NCc1cccnc1)C(=O)NCc1cccnc1" . "COc1ccc(cc1C(=O)NCc1cccnc1)C(=O)NCc1cccnc1" . "KYWCWBXGRWWINE-UHFFFAOYSA-N" . "InChI=1S/C21H20N4O3/c1-28-19-7-6-17(20(26)24-13-15-4-2-8-22-11-15)10-18(19)21(27)25-14-16-5-3-9-23-12-16/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27)" . "[O-]C(=O)c1oc2c(c1)cc(cc2)Cc1cccnc1.[Na+]" . "[O-]C(=O)c1oc2c(c1)cc(cc2)Cc1cccnc1.[Na+]" . "XBTIPIZROJAKOJ-UHFFFAOYSA-M" . "InChI=1S/C15H11NO3.Na/c17-15(18)14-8-12-7-10(3-4-13(12)19-14)6-11-2-1-5-16-9-11;/h1-5,7-9H,6H2,(H,17,18);/q;+1/p-1" . "NCC(=O)NCC(=O)N(CC(=O)Nc1nc2c(s1)cc(cc2)OC(F)(F)F)C" . "NCC(=O)NCC(=O)N(CC(=O)Nc1nc2c(s1)cc(cc2)OC(F)(F)F)C" . "YBZSGIWIPOUSHY-UHFFFAOYSA-N" . "InChI=1S/C15H16F3N5O4S/c1-23(13(26)6-20-11(24)5-19)7-12(25)22-14-21-9-3-2-8(4-10(9)28-14)27-15(16,17)18/h2-4H,5-7,19H2,1H3,(H,20,24)(H,21,22,25)" . "OC(=O)CCCCCCCNn1nnc2c1cccc2" . "OC(=O)CCCCCCCNn1nnc2c1cccc2" . "XRQULSHHDALTQA-UHFFFAOYSA-N" . "InChI=1S/C14H20N4O2/c19-14(20)10-4-2-1-3-7-11-15-18-13-9-6-5-8-12(13)16-17-18/h5-6,8-9,15H,1-4,7,10-11H2,(H,19,20)" . "CCCCc1ccc(c(c1)C)N=CNO" . "CCCCc1ccc(c(c1)C)N=CNO" . "LYNOGBKNFIHKLE-UHFFFAOYSA-N" . "InChI=1S/C12H18N2O/c1-3-4-5-11-6-7-12(10(2)8-11)13-9-14-15/h6-9,15H,3-5H2,1-2H3,(H,13,14)" . "NCCNC(=O)c1ccc(cn1)Cl" . "NCCNC(=O)c1ccc(cn1)Cl" . "JZXRLKWWVNUZRB-UHFFFAOYSA-N" . "InChI=1S/C8H10ClN3O/c9-6-1-2-7(12-5-6)8(13)11-4-3-10/h1-2,5H,3-4,10H2,(H,11,13)" . "C1Oc2c(O1)cc(cc2)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2c(c1)OCO2" . "C1Oc2c(O1)cc(cc2)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2c(c1)OCO2" . "PEYUIKBAABKQKQ-AFHBHXEDSA-N" . "InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1" . "C/C(=C/c1ccccc1)/C=C/1/SC(=S)N(C1=O)CC(=O)O" . "C/C(=C/c1ccccc1)/C=C/1/SC(=S)N(C1=O)CC(=O)O" . "CHNUOJQWGUIOLD-NFZZJPOKSA-N" . "InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-" . "N[C@H](C(=S)NCC(=O)O)Cc1cc([19F])cc(c1)[18F]" . "N[C@H](C(=S)NCC(=O)O)Cc1cc([19F])cc(c1)[19F]" . "TWLHVEKSWVLMAU-DENHMSFDSA-N" . "InChI=1S/C11H12F2N2O2S/c12-7-1-6(2-8(13)4-7)3-9(14)11(18)15-5-10(16)17/h1-2,4,9H,3,5,14H2,(H,15,18)(H,16,17)/t9-/m0/s1/i12-1,13+0" . "[18F]CCOc1ccc(cc1)C[C@@H](C(=O)N(CC(=O)O)C)N" . "[18F]CCOc1ccc(cc1)C[C@@H](C(=O)N(CC(=O)O)C)N" . "DXMVXTCSJSPYPD-QDHXSUQPSA-N" . "InChI=1S/C14H19FN2O4/c1-17(9-13(18)19)14(20)12(16)8-10-2-4-11(5-3-10)21-7-6-15/h2-5,12H,6-9,16H2,1H3,(H,18,19)/t12-/m0/s1/i15-1" . "CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@@H](C(=O)O)Cc1ccc2c(c1)cc(cc2)C(=N)N" . "CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@@H](C(=O)O)Cc1ccc2c(c1)cc(cc2)C(=N)N" . "AGRCGQSFFMCBRE-ZEQRLZLVSA-N" . "InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24-/m0/s1" . "NC(=N)N1CCc2c(C1)cc(cc2)OCC1(CCN(CC1)c1ccncc1)C(=O)O" . "NC(=N)N1CCc2c(C1)cc(cc2)OCC1(CCN(CC1)c1ccncc1)C(=O)O" . "MISBTXJXWSXZBF-UHFFFAOYSA-N" . "InChI=1S/C22H27N5O3/c23-21(24)27-10-5-16-1-2-19(13-17(16)14-27)30-15-22(20(28)29)6-11-26(12-7-22)18-3-8-25-9-4-18/h1-4,8-9,13H,5-7,10-12,14-15H2,(H3,23,24)(H,28,29)" . "O=C(N[C@H](C(=O)N[C@@H](c1ccccc1)C(=O)OC(C)(C)C)C)Cc1cc(F)cc(c1)F" . "O=C(N[C@H](C(=O)N[C@@H](c1ccccc1)C(=O)OC(C)(C)C)C)Cc1cc(F)cc(c1)F" . "DWJXYEABWRJFSP-XOBRGWDASA-N" . "InChI=1S/C23H26F2N2O4/c1-14(26-19(28)12-15-10-17(24)13-18(25)11-15)21(29)27-20(16-8-6-5-7-9-16)22(30)31-23(2,3)4/h5-11,13-14,20H,12H2,1-4H3,(H,26,28)(H,27,29)/t14-,20-/m0/s1" . "CCOC(=O)COc1ccc(cc1OC)/C=C/1/SC(=S)NC1=O" . "CCOC(=O)COc1ccc(cc1OC)/C=C/1/SC(=S)NC1=O" . "QHPJWPQRZMBKTG-KPKJPENVSA-N" . "InChI=1S/C15H15NO5S2/c1-3-20-13(17)8-21-10-5-4-9(6-11(10)19-2)7-12-14(18)16-15(22)23-12/h4-7H,3,8H2,1-2H3,(H,16,18,22)/b12-7+" . "OC(=O)CCC1CCC(CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(cc1)Cl" . "OC(=O)CCC1CCC(CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(cc1)Cl" . "XCGJIFAKUZNNOR-UHFFFAOYSA-N" . "InChI=1S/C21H21ClF2O4S/c22-15-2-5-17(6-3-15)29(27,28)21(18-13-16(23)4-7-19(18)24)11-9-14(10-12-21)1-8-20(25)26/h2-7,13-14H,1,8-12H2,(H,25,26)" . "OCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC(F)(F)F)C)c2c(c3c1nccc3)cccc2" . "OCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC(F)(F)F)C)c2c(c3c1nccc3)cccc2" . "YCBAQKQAINQRFW-UGSOOPFHSA-N" . "InChI=1S/C22H23F3N4O4/c1-13(27-17(31)8-9-22(23,24)25)20(32)28-18-15-6-3-2-5-14(15)16-7-4-10-26-19(16)29(11-12-30)21(18)33/h2-7,10,13,18,30H,8-9,11-12H2,1H3,(H,27,31)(H,28,32)/t13-,18-/m0/s1" . "CC(=O)c1cc2c(o1)C(=O)c1c(C2=O)cccc1" . "CC(=O)c1cc2c(o1)C(=O)c1c(C2=O)cccc1" . "DPHUWDIXHNQOSY-UHFFFAOYSA-N" . "InChI=1S/C14H8O4/c1-7(15)11-6-10-12(16)8-4-2-3-5-9(8)13(17)14(10)18-11/h2-6H,1H3" . "C1CCCCCN=C(CCCCC1)N[C@H]1CCC[C@H]1c1ccccc1" . "C1CCCCCN=C(CCCCC1)N[C@H]1CCC[C@H]1c1ccccc1" . "RTRIXVOSRYRSBP-VXKWHMMOSA-N" . "InChI=1S/C23H36N2/c1-2-4-6-11-18-23(24-19-12-7-5-3-1)25-22-17-13-16-21(22)20-14-9-8-10-15-20/h8-10,14-15,21-22H,1-7,11-13,16-19H2,(H,24,25)/t21-,22-/m0/s1" . "CN(C/C=C/C(=O)N1CC[C@@H](C1)OC(=O)N1CCC(CC1)Nc1cc(C)nc2n1ncc2C(C)C)C" . "CN(C/C=C/C(=O)N1CC[C@@H](C1)OC(=O)N1CCC(CC1)Nc1cc(C)nc2n1ncc2C(C)C)C" . "GRDAHPJRLCTJNA-BXKJMJEDSA-N" . "InChI=1S/C26H39N7O3/c1-18(2)22-16-27-33-23(15-19(3)28-25(22)33)29-20-8-12-31(13-9-20)26(35)36-21-10-14-32(17-21)24(34)7-6-11-30(4)5/h6-7,15-16,18,20-21,29H,8-14,17H2,1-5H3/b7-6+/t21-/m0/s1" . "CCCCCCCCCCCCCCCCOP(=O)(OCC[N+](C)(C)C)[O-]" . "CCCCCCCCCCCCCCCCOP(=O)(OCC[N+](C)(C)C)[O-]" . "PQLXHQMOHUQAKB-UHFFFAOYSA-N" . "InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3" . "NCc1cccc(c1)n1nc(cc1C(=O)Nc1cc(ccc1F)[C@@H](c1cccc(c1)C#N)NCC1CC1)C(F)(F)F" . "NCc1cccc(c1)n1nc(cc1C(=O)Nc1cc(ccc1F)[C@@H](c1cccc(c1)C#N)NCC1CC1)C(F)(F)F" . "UXNXMBYCBRBRFD-MUUNZHRXSA-N" . "InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)/t28-/m1/s1" . "CC(=O)N1CCN(CC1)CCOCc1ccn(n1)c1ccc(c(c1)F)F" . "CC(=O)N1CCN(CC1)CCOCc1ccn(n1)c1ccc(c(c1)F)F" . "COKUNRYWXTVUAH-UHFFFAOYSA-N" . "InChI=1S/C18H22F2N4O2/c1-14(25)23-8-6-22(7-9-23)10-11-26-13-15-4-5-24(21-15)16-2-3-17(19)18(20)12-16/h2-5,12H,6-11,13H2,1H3" . "CCCCCCCCCCCCC/C=C/C(C(NC(=O)CCCCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O[C@@]1(C[C@@H](O)[C@@H]([C@H](O1)C(C(CO[C@@]1(C[C@@H](O)[C@@H]([C@H](O1)C(C(CO)O)O)N)C(=O)O)O)O)N)C(=O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1NC(=O)C)O)O)O" . "CCCCCCCCCCCCC/C=C/C(C(NC(=O)CCCCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O[C@@]1(C[C@@H](O)[C@@H]([C@H](O1)C(C(CO[C@@]1(C[C@@H](O)[C@@H]([C@H](O1)C(C(CO)O)O)N)C(=O)O)O)O)N)C(=O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1NC(=O)C)O)O)O" . "FFILOTSTFMXQJC-QCFYAKGBSA-N" . "InChI=1S/C74H134N4O32/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-52(89)78-43(44(84)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)40-101-69-61(95)60(94)63(50(38-81)104-69)106-70-62(96)67(64(51(39-82)105-70)107-68-55(77-42(3)83)59(93)58(92)49(37-80)103-68)110-74(72(99)100)35-46(86)54(76)66(109-74)57(91)48(88)41-102-73(71(97)98)34-45(85)53(75)65(108-73)56(90)47(87)36-79/h30,32,43-51,53-70,79-82,84-88,90-96H,4-29,31,33-41,75-76H2,1-3H3,(H,77,83)(H,78,89)(H,97,98)(H,99,100)/b32-30+/t43?,44?,45-,46-,47?,48?,49-,50-,51-,53+,54+,55-,56?,57?,58+,59-,60-,61-,62-,63-,64+,65+,66+,67-,68+,69-,70+,73-,74+/m1/s1" . "COc1cc(ccc1OC)Nc1ncc(c(n1)NC1CC1)C(F)(F)F" . "COc1cc(ccc1OC)Nc1ncc(c(n1)NC1CC1)C(F)(F)F" . "BQROJYIEHOOQBY-UHFFFAOYSA-N" . "InChI=1S/C16H17F3N4O2/c1-24-12-6-5-10(7-13(12)25-2)22-15-20-8-11(16(17,18)19)14(23-15)21-9-3-4-9/h5-9H,3-4H2,1-2H3,(H2,20,21,22,23)" . "CNC(=O)c1ccccc1Oc1nc(ncc1Br)Nc1cc(OC)c(c(c1)OC)OC" . "CNC(=O)c1ccccc1Oc1nc(ncc1Br)Nc1cc(OC)c(c(c1)OC)OC" . "NEXGBSJERNQRSV-UHFFFAOYSA-N" . "InChI=1S/C21H21BrN4O5/c1-23-19(27)13-7-5-6-8-15(13)31-20-14(22)11-24-21(26-20)25-12-9-16(28-2)18(30-4)17(10-12)29-3/h5-11H,1-4H3,(H,23,27)(H,24,25,26)" . "CNC(=O)COc1cc2cc(ccc2n(c1=O)C)Nc1nc(ncc1Cl)N1C[C@H](C)C[C@@H](C1)C" . "CNC(=O)COc1cc2cc(ccc2n(c1=O)C)Nc1nc(ncc1Cl)N1C[C@H](C)C[C@@H](C1)C" . "GXTJETQFYHZHNB-GASCZTMLSA-N" . "InChI=1S/C24H29ClN6O3/c1-14-7-15(2)12-31(11-14)24-27-10-18(25)22(29-24)28-17-5-6-19-16(8-17)9-20(23(33)30(19)4)34-13-21(32)26-3/h5-6,8-10,14-15H,7,11-13H2,1-4H3,(H,26,32)(H,27,28,29)/t14-,15+" . "O=c1c2CN(CCc2n2c(=NCC2)n1Cc1ccc(cc1)C(F)(F)F)Cc1ccccc1" . "O=c1c2CN(CCc2n2c(=NCC2)n1Cc1ccc(cc1)C(F)(F)F)Cc1ccccc1" . "DFULPGUTXZTYKA-UHFFFAOYSA-N" . "InChI=1S/C24H23F3N4O/c25-24(26,27)19-8-6-18(7-9-19)15-31-22(32)20-16-29(14-17-4-2-1-3-5-17)12-10-21(20)30-13-11-28-23(30)31/h1-9H,10-16H2" . "COC(=O)N[C@H](C(=O)N[C@H](c1csc(n1)c1cccs1)Cc1ccc(cc1)NS(=O)(=O)O)Cc1ccccc1" . "COC(=O)N[C@H](C(=O)N[C@H](c1csc(n1)c1cccs1)Cc1ccc(cc1)NS(=O)(=O)O)Cc1ccccc1" . "KWJDHELCGJFUHW-SFTDATJTSA-N" . "InChI=1S/C26H26N4O6S3/c1-36-26(32)29-21(15-17-6-3-2-4-7-17)24(31)27-20(22-16-38-25(28-22)23-8-5-13-37-23)14-18-9-11-19(12-10-18)30-39(33,34)35/h2-13,16,20-21,30H,14-15H2,1H3,(H,27,31)(H,29,32)(H,33,34,35)/t20-,21-/m0/s1" . "NC(=N)NCCC[C@@H](C(=O)O)NC(=O)c1sccc1NS(=O)(=O)c1cccc2c1nsn2" . "NC(=N)NCCC[C@@H](C(=O)O)NC(=O)c1sccc1NS(=O)(=O)c1cccc2c1nsn2" . "ZWWMEDURALZMEV-NSHDSACASA-N" . "InChI=1S/C17H19N7O5S3/c18-17(19)20-7-2-4-11(16(26)27)21-15(25)14-10(6-8-30-14)24-32(28,29)12-5-1-3-9-13(12)23-31-22-9/h1,3,5-6,8,11,24H,2,4,7H2,(H,21,25)(H,26,27)(H4,18,19,20)/t11-/m0/s1" . "OC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]n2c1nc(cc2=O)c1ccccc1" . "OC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]n2c1nc(cc2=O)c1ccccc1" . "WGQGCLHXUPGUSZ-HIFRSBDPSA-N" . "InChI=1S/C20H20N4O4/c25-17-10-16(12-6-2-1-3-7-12)22-18-14(11-21-24(17)18)19(26)23-15-9-5-4-8-13(15)20(27)28/h1-3,6-7,10-11,13,15,21H,4-5,8-9H2,(H,23,26)(H,27,28)/t13-,15+/m1/s1" . "N#C/C/1=C/C=C/C[C@H](OC(=O)C[C@@H]([C@H](C[C@H](C[C@H](C[C@@H]([C@H]1O)C)C)C)C)O)[C@@H]1CCC[C@H]1C(=O)O" . "N#C/C/1=C/C=C/C[C@H](OC(=O)C[C@@H]([C@H](C[C@H](C[C@H](C[C@@H]([C@H]1O)C)C)C)C)O)[C@@H]1CCC[C@H]1C(=O)O" . "OJCKRNPLOZHAOU-UGKRXNSESA-N" . "InChI=1S/C28H43NO6/c1-17-12-18(2)14-20(4)27(32)21(16-29)8-5-6-11-25(22-9-7-10-23(22)28(33)34)35-26(31)15-24(30)19(3)13-17/h5-6,8,17-20,22-25,27,30,32H,7,9-15H2,1-4H3,(H,33,34)/b6-5+,21-8-/t17-,18+,19-,20-,22+,23+,24-,25-,27+/m0/s1" . "CNC(=O)c1cncc(c1)c1cnc(c(c1)NS(=O)(=O)c1ccccc1)Cl" . "CNC(=O)c1cncc(c1)c1cnc(c(c1)NS(=O)(=O)c1ccccc1)Cl" . "IHWSJFBJORCEAK-UHFFFAOYSA-N" . "InChI=1S/C18H15ClN4O3S/c1-20-18(24)14-7-12(9-21-10-14)13-8-16(17(19)22-11-13)23-27(25,26)15-5-3-2-4-6-15/h2-11,23H,1H3,(H,20,24)" . "Clc1ccc2c(c1)[C@@H](NCC2)c1cc(sc1C)C(=O)c1cncnc1N[C@@H]1C[C@@H]([C@H](C1)O)COS(=O)(=O)N" . "Clc1ccc2c(c1)[C@@H](NCC2)c1cc(sc1C)C(=O)c1cncnc1N[C@@H]1C[C@@H]([C@H](C1)O)COS(=O)(=O)N" . "LXRZVMYMQHNYJB-UNXOBOICSA-N" . "InChI=1S/C25H28ClN5O5S2/c1-13-18(23-19-7-16(26)3-2-14(19)4-5-29-23)9-22(37-13)24(33)20-10-28-12-30-25(20)31-17-6-15(21(32)8-17)11-36-38(27,34)35/h2-3,7,9-10,12,15,17,21,23,29,32H,4-6,8,11H2,1H3,(H2,27,34,35)(H,28,30,31)/t15-,17-,21+,23+/m1/s1" . "COc1ccc(cc1)P(=S)(N1CCOCC1)S" . "COc1ccc(cc1)P(=S)(N1CCOCC1)S" . "QDSAKNAFJWRQIV-UHFFFAOYSA-N" . "InChI=1S/C11H16NO2PS2/c1-13-10-2-4-11(5-3-10)15(16,17)12-6-8-14-9-7-12/h2-5H,6-9H2,1H3,(H,16,17)" . "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2OCCCNc2ccnc3c2ccc(c3)Cl)N(C)C)[C@](C[C@H](CN([C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O" . "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2OCCCNc2ccnc3c2ccc(c3)Cl)N(C)C)[C@](C[C@H](CN([C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O" . "KZRUOZJPVVJKAE-ZPHCEPPYSA-N" . "InChI=1S/C50H83ClN4O12/c1-15-39-50(10,60)43(56)32(6)55(13)27-28(2)25-48(8,59)45(30(4)41(31(5)46(58)65-39)66-40-26-49(9,61-14)44(57)33(7)64-40)67-47-42(38(54(11)12)23-29(3)63-47)62-22-16-20-52-36-19-21-53-37-24-34(51)17-18-35(36)37/h17-19,21,24,28-33,38-45,47,56-57,59-60H,15-16,20,22-23,25-27H2,1-14H3,(H,52,53)/t28-,29-,30+,31-,32-,33+,38+,39-,40+,41+,42-,43-,44+,45-,47+,48-,49-,50-/m1/s1" . "CC(C[C@@H](C(=O)N[C@@H](CC(C)C)/C=C/S(=O)(=O)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CN1CCOCC1)C" . "CC(C[C@@H](C(=O)N[C@@H](CC(C)C)/C=C/S(=O)(=O)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CN1CCOCC1)C" . "DKBAFRHAWTVKAD-ODGLJRBPSA-N" . "InChI=1S/C31H47N5O6S/c1-21(2)16-24(10-15-43(5,40)41)33-30(38)27(17-22(3)4)35-31(39)28(34-29(37)20-36-11-13-42-14-12-36)18-23-19-32-26-9-7-6-8-25(23)26/h6-10,15,19,21-22,24,27-28,32H,11-14,16-18,20H2,1-5H3,(H,33,38)(H,34,37)(H,35,39)/b15-10+/t24-,27+,28+/m1/s1" . "CN(CCNc1cc(/C=C/c2ccc(cc2)C(F)(F)F)nc2c1cc(Cl)cc2)C" . "CN(CCNc1cc(/C=C/c2ccc(cc2)C(F)(F)F)nc2c1cc(Cl)cc2)C" . "AOIUKRJIEYZLAU-WEVVVXLNSA-N" . "InChI=1S/C22H21ClF3N3/c1-29(2)12-11-27-21-14-18(28-20-10-8-17(23)13-19(20)21)9-5-15-3-6-16(7-4-15)22(24,25)26/h3-10,13-14H,11-12H2,1-2H3,(H,27,28)/b9-5+" . "COc1ccc2c(n1)c(Nc1cc(CN(C)C)c(c(c1)CN(C)C)O)c1c(n2)cc(cc1)Cl" . "COc1ccc2c(n1)c(Nc1cc(CN(C)C)c(c(c1)CN(C)C)O)c1c(n2)cc(cc1)Cl" . "CYNAGHGKNNKEIO-UHFFFAOYSA-N" . "InChI=1S/C25H28ClN5O2/c1-30(2)13-15-10-18(11-16(25(15)32)14-31(3)4)27-23-19-7-6-17(26)12-21(19)28-20-8-9-22(33-5)29-24(20)23/h6-12,32H,13-14H2,1-5H3,(H,27,28)" . "CNCC(c1ccc(cc1)OC(=O)C)Cl" . "CNCC(c1ccc(cc1)OC(=O)C)Cl" . "VZCQEZNQVVYTJC-UHFFFAOYSA-N" . "InChI=1S/C11H14ClNO2/c1-8(14)15-10-5-3-9(4-6-10)11(12)7-13-2/h3-6,11,13H,7H2,1-2H3" . "Clc1ccc(c(c1)C(=O)O)S(=O)(=O)NCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3" . "Clc1ccc(c(c1)C(=O)O)S(=O)(=O)NCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3" . "OVJUYQCJIFWMBI-UHFFFAOYSA-N" . "InChI=1S/C23H19ClN2O6S/c24-15-9-10-19(18(13-15)23(29)30)33(31,32)25-11-1-2-12-26-21(27)16-7-3-5-14-6-4-8-17(20(14)16)22(26)28/h3-10,13,25H,1-2,11-12H2,(H,29,30)" . "COc1ccc(cc1OCCc1cccc(c1)C)C(=O)NC1(Cc2c(C1)cccc2)C(=O)O" . "COc1ccc(cc1OCCc1cccc(c1)C)C(=O)NC1(Cc2c(C1)cccc2)C(=O)O" . "SOJDTNUCCXWTMG-UHFFFAOYSA-N" . "InChI=1S/C27H27NO5/c1-18-6-5-7-19(14-18)12-13-33-24-15-20(10-11-23(24)32-2)25(29)28-27(26(30)31)16-21-8-3-4-9-22(21)17-27/h3-11,14-15H,12-13,16-17H2,1-2H3,(H,28,29)(H,30,31)" . "CCN([C@H](c1cccc2c1oc(c2C)CC)CO)CC" . "CCN([C@H](c1cccc2c1oc(c2C)CC)CO)CC" . "FXNNNICQCLNEPG-HNNXBMFYSA-N" . "InChI=1S/C17H25NO2/c1-5-16-12(4)13-9-8-10-14(17(13)20-16)15(11-19)18(6-2)7-3/h8-10,15,19H,5-7,11H2,1-4H3/t15-/m0/s1" . "CCN([C@H](c1cccc2c1oc(c2C)C)CO)CC" . "CCN([C@H](c1cccc2c1oc(c2C)C)CO)CC" . "GJLKKMYIDLNMFF-HNNXBMFYSA-N" . "InChI=1S/C16H23NO2/c1-5-17(6-2)15(10-18)14-9-7-8-13-11(3)12(4)19-16(13)14/h7-9,15,18H,5-6,10H2,1-4H3/t15-/m0/s1" . "N#Cc1ccc(=O)n(c1)CC(=O)c1cc(n(c1C)Cc1ccccc1)C" . "N#Cc1ccc(=O)n(c1)CC(=O)c1cc(n(c1C)Cc1ccccc1)C" . "FMYGNANMYYHBSU-UHFFFAOYSA-N" . "InChI=1S/C21H19N3O2/c1-15-10-19(16(2)24(15)13-17-6-4-3-5-7-17)20(25)14-23-12-18(11-22)8-9-21(23)26/h3-10,12H,13-14H2,1-2H3" . "OC(=O)CCCn1ccc2c1cccc2c1noc(n1)c1cnc(c(c1)Cl)OC(C)C" . "OC(=O)CCCn1ccc2c1cccc2c1noc(n1)c1cnc(c(c1)Cl)OC(C)C" . "NFIGDBFIDKDNIG-UHFFFAOYSA-N" . "InChI=1S/C22H21ClN4O4/c1-13(2)30-22-17(23)11-14(12-24-22)21-25-20(26-31-21)16-5-3-6-18-15(16)8-10-27(18)9-4-7-19(28)29/h3,5-6,8,10-13H,4,7,9H2,1-2H3,(H,28,29)" . "N#Cc1ccc2c(c1)[C@@H](C)c1ccccc1[C@H]1N2CC[C@@H](C1)NC(=O)c1snnc1C" . "N#Cc1ccc2c(c1)[C@@H](C)c1ccccc1[C@H]1N2CC[C@@H](C1)NC(=O)c1snnc1C" . "BUWMTEGCNUYHSZ-JKXTWKSPSA-N" . "InChI=1S/C24H23N5OS/c1-14-18-5-3-4-6-19(18)22-12-17(26-24(30)23-15(2)27-28-31-23)9-10-29(22)21-8-7-16(13-25)11-20(14)21/h3-8,11,14,17,22H,9-10,12H2,1-2H3,(H,26,30)/t14-,17-,22-/m0/s1" . "CCCCC1CCC(CC1)C(=O)O" . "CCCCC1CCC(CC1)C(=O)O" . "BALGERHMIXFENA-UHFFFAOYSA-N" . "InChI=1S/C11H20O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)" . "O=C1[C@H](COc2c(N1C)nccc2)NC(=O)c1n[nH]c(n1)Cc1ccccc1" . "O=C1[C@H](COc2c(N1C)nccc2)NC(=O)c1n[nH]c(n1)Cc1ccccc1" . "XUZICJHIIJCKQQ-ZDUSSCGKSA-N" . "InChI=1S/C19H18N6O3/c1-25-17-14(8-5-9-20-17)28-11-13(19(25)27)21-18(26)16-22-15(23-24-16)10-12-6-3-2-4-7-12/h2-9,13H,10-11H2,1H3,(H,21,26)(H,22,23,24)/t13-/m0/s1" . "CN(CCc1c[nH]c2c1c(O)ccc2)C" . "CN(CCc1c[nH]c2c1c(O)ccc2)C" . "SPCIYGNTAMCTRO-UHFFFAOYSA-N" . "InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3" . "CCc1cc(O)ccc1c1ccc2c(c1)[nH]nc2c1nc2c([nH]1)C[C@H](N(C2)C(C)C)C(=O)N1CC(C1)N(C)C" . "CCc1cc(O)ccc1c1ccc2c(c1)[nH]nc2c1nc2c([nH]1)C[C@H](N(C2)C(C)C)C(=O)N1CC(C1)N(C)C" . "VQIIUJSNIKEMCK-MHZLTWQESA-N" . "InChI=1S/C30H37N7O2/c1-6-18-11-21(38)8-10-22(18)19-7-9-23-24(12-19)33-34-28(23)29-31-25-13-27(37(17(2)3)16-26(25)32-29)30(39)36-14-20(15-36)35(4)5/h7-12,17,20,27,38H,6,13-16H2,1-5H3,(H,31,32)(H,33,34)/t27-/m0/s1" . "CCc1ccc(nc1)C(=O)COc1ccc(cc1)CC1SC(=O)NC1=O" . "CCc1ccc(nc1)C(=O)COc1ccc(cc1)CC1SC(=O)NC1=O" . "IRNJSRAGRIZIHD-UHFFFAOYSA-N" . "InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24)" . "N#C/C(=C/c1cn(c2c1cccc2)c1ccccc1)/C(=O)O" . "N#C/C(=C/c1cn(c2c1cccc2)c1ccccc1)/C(=O)O" . "BIZNHCWFGNKBBZ-JLHYYAGUSA-N" . "InChI=1S/C18H12N2O2/c19-11-13(18(21)22)10-14-12-20(15-6-2-1-3-7-15)17-9-5-4-8-16(14)17/h1-10,12H,(H,21,22)/b13-10+" . "N#C/C(=C/C=C/c1ccccc1)/C(=O)O" . "N#C/C(=C/C=C/c1ccccc1)/C(=O)O" . "UBDXZYYYWGIRGN-VCABWLAWSA-N" . "InChI=1S/C12H9NO2/c13-9-11(12(14)15)8-4-7-10-5-2-1-3-6-10/h1-8H,(H,14,15)/b7-4+,11-8+" . "N#CC(=Cc1ccc(cc1)O)C(=O)O" . "N#CC(=Cc1ccc(cc1)O)C(=O)O" . "AFVLVVWMAFSXCK-UHFFFAOYSA-N" . "InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)" . "N#C/C(=C/c1ccccc1)/C(=O)O" . "N#C/C(=C/c1ccccc1)/C(=O)O" . "CDUQMGQIHYISOP-RMKNXTFCSA-N" . "InChI=1S/C10H7NO2/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-6H,(H,12,13)/b9-6+" . "CCCCOc1c(OC)cc(cc1OC)C(=O)NCC1(CCOCC1)N(C)C" . "CCCCOc1c(OC)cc(cc1OC)C(=O)NCC1(CCOCC1)N(C)C" . "JQUVQWMHZSYCRQ-UHFFFAOYSA-N" . "InChI=1S/C21H34N2O5/c1-6-7-10-28-19-17(25-4)13-16(14-18(19)26-5)20(24)22-15-21(23(2)3)8-11-27-12-9-21/h13-14H,6-12,15H2,1-5H3,(H,22,24)" . "CN1CCC(CC1)NC(=O)c1ccc(cc1)COc1ccc(cc1)C(F)(F)F" . "CN1CCC(CC1)NC(=O)c1ccc(cc1)COc1ccc(cc1)C(F)(F)F" . "IVOIYPHGIHJNMU-UHFFFAOYSA-N" . "InChI=1S/C21H23F3N2O2/c1-26-12-10-18(11-13-26)25-20(27)16-4-2-15(3-5-16)14-28-19-8-6-17(7-9-19)21(22,23)24/h2-9,18H,10-14H2,1H3,(H,25,27)" . "CC(c1nnc(n1c1cccc2c1non2)c1ccc(nc1)c1ccccc1)C" . "CC(c1nnc(n1c1cccc2c1non2)c1ccc(nc1)c1ccccc1)C" . "FQGLDGKVKDPVLO-UHFFFAOYSA-N" . "InChI=1S/C22H18N6O/c1-14(2)21-24-25-22(28(21)19-10-6-9-18-20(19)27-29-26-18)16-11-12-17(23-13-16)15-7-4-3-5-8-15/h3-14H,1-2H3" . "CNc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@@]1(C)F)O)CO[P@@](=O)(N[C@H](C(=O)OC(C)C)C)Oc1ccccc1" . "C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)n1cnc2c(nc(nc12)N)NC)(C)F)O)Oc1ccccc1" . "OISLSHLAXHALQZ-LZEIJKKFSA-N" . "InChI=1S/C24H33FN7O7P/c1-13(2)37-21(34)14(3)31-40(35,39-15-9-7-6-8-10-15)36-11-16-18(33)24(4,25)22(38-16)32-12-28-17-19(27-5)29-23(26)30-20(17)32/h6-10,12-14,16,18,22,33H,11H2,1-5H3,(H,31,35)(H3,26,27,29,30)/t14-,16+,18+,22+,24+,40-/m0/s1" . "N#Cc1c(nc2c(c1c1ccccc1O)c(C)nn2c1ccccc1)c1ccc(cc1)C(C)(C)C" . "N#Cc1c(nc2c(c1c1ccccc1O)c(C)nn2c1ccccc1)c1ccc(cc1)C(C)(C)C" . "LIARSLHDKGMNOW-UHFFFAOYSA-N" . "InChI=1S/C30H26N4O/c1-19-26-27(23-12-8-9-13-25(23)35)24(18-31)28(20-14-16-21(17-15-20)30(2,3)4)32-29(26)34(33-19)22-10-6-5-7-11-22/h5-17,35H,1-4H3" . "C[C@@H]1CCCN1CCCOc1ccc(cc1)n1ncc(c1)C(=O)N1CCOCC1" . "C[C@@H]1CCCN1CCCOc1ccc(cc1)n1ncc(c1)C(=O)N1CCOCC1" . "IABXVJILZYNSTM-GOSISDBHSA-N" . "InChI=1S/C22H30N4O3/c1-18-4-2-9-24(18)10-3-13-29-21-7-5-20(6-8-21)26-17-19(16-23-26)22(27)25-11-14-28-15-12-25/h5-8,16-18H,2-4,9-15H2,1H3/t18-/m1/s1" . "NC(=N/N=C/C=C/c1cccn1c1ccccc1[N+](=O)[O-])N" . "NC(=N/N=C/C=C/c1cccn1c1ccccc1[N+](=O)[O-])N" . "ZSDGHWLLLGYAJV-LDRJOUGUSA-N" . "InChI=1S/C14H14N6O2/c15-14(16)18-17-9-3-5-11-6-4-10-19(11)12-7-1-2-8-13(12)20(21)22/h1-10H,(H4,15,16,18)/b5-3+,17-9-" . "CC(C(=O)N1CCC[C@@]21CN(C2=O)[C@H](C(=O)N)[C@H](O)C)C" . "CC(C(=O)N1CCC[C@@]21CN(C2=O)[C@H](C(=O)N)[C@H](O)C)C" . "NFXPEHLDVKVVKA-ISTVAULSSA-N" . "InChI=1S/C14H23N3O4/c1-8(2)12(20)17-6-4-5-14(17)7-16(13(14)21)10(9(3)18)11(15)19/h8-10,18H,4-7H2,1-3H3,(H2,15,19)/t9-,10+,14-/m1/s1" . "CCc1cccc(c1Cl)N1CCN(CC1)C[C@@H](CCNC(=O)c1cc2c([nH]1)cccc2)O" . "CCc1cccc(c1Cl)N1CCN(CC1)C[C@@H](CCNC(=O)c1cc2c([nH]1)cccc2)O" . "OIRZLTZLOKARTG-HXUWFJFHSA-N" . "InChI=1S/C25H31ClN4O2/c1-2-18-7-5-9-23(24(18)26)30-14-12-29(13-15-30)17-20(31)10-11-27-25(32)22-16-19-6-3-4-8-21(19)28-22/h3-9,16,20,28,31H,2,10-15,17H2,1H3,(H,27,32)/t20-/m1/s1" . "N#Cc1ccc(cc1F)c1nc(N2CCC(CC2)N)n(c(=O)c1c1ccc(c(c1)F)OC)C" . "N#Cc1ccc(cc1F)c1nc(N2CCC(CC2)N)n(c(=O)c1c1ccc(c(c1)F)OC)C" . "NBAIXBAUHIQQGF-UHFFFAOYSA-N" . "InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3" . "N#Cc1cc(cc(c1)F)Oc1ccc(c2c1[C@@H](F)[C@H]([C@H]2O)F)S(=O)(=O)C" . "N#Cc1cc(cc(c1)F)Oc1ccc(c2c1[C@@H](F)[C@H]([C@H]2O)F)S(=O)(=O)C" . "LOMMPXLFBTZENJ-ZACQAIPSSA-N" . "InChI=1S/C17H12F3NO4S/c1-26(23,24)12-3-2-11(13-14(12)17(22)16(20)15(13)19)25-10-5-8(7-21)4-9(18)6-10/h2-6,15-17,22H,1H3/t15-,16-,17+/m1/s1" . "OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1" . "OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1" . "YQOLEILXOBUDMU-KRWDZBQOSA-N" . "InChI=1S/C26H27BrClN3O3/c1-16-24(20-14-18(27)9-10-22(20)30-25(16)31-12-4-5-13-31)26(34)29-15-17(8-11-23(32)33)19-6-2-3-7-21(19)28/h2-3,6-7,9-10,14,17H,4-5,8,11-13,15H2,1H3,(H,29,34)(H,32,33)/t17-/m0/s1" . "Brc1cccc(n1)NC(=O)[C@@H]1C[C@@H]2[C@H](N1C(=O)Cn1nc(c3c1cccc3)C(=O)N)C2" . "Brc1cccc(n1)NC(=O)[C@@H]1C[C@@H]2[C@H](N1C(=O)Cn1nc(c3c1cccc3)C(=O)N)C2" . "CWZUTHDJLNZLCM-DFBGVHRSSA-N" . "InChI=1S/C21H19BrN6O3/c22-16-6-3-7-17(24-16)25-21(31)15-9-11-8-14(11)28(15)18(29)10-27-13-5-2-1-4-12(13)19(26-27)20(23)30/h1-7,11,14-15H,8-10H2,(H2,23,30)(H,24,25,31)/t11-,14-,15+/m1/s1" . "CNC(=O)C[C@H]1COc2c(N1C(=O)c1ccc3c(c1)NC(=O)CO3)ccc(c2)F" . "CNC(=O)C[C@H]1COc2c(N1C(=O)c1ccc3c(c1)NC(=O)CO3)ccc(c2)F" . "MBKYLPOPYYLTNW-ZDUSSCGKSA-N" . "InChI=1S/C20H18FN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)/t13-/m0/s1" . "Fc1cccc(c1C(=O)N1CC2(c3c1ccc(c3)C(C)(C)C)CCN(CC2)CCC(F)(F)F)F" . "Fc1cccc(c1C(=O)N1CC2(c3c1ccc(c3)C(C)(C)C)CCN(CC2)CCC(F)(F)F)F" . "PKSMEKUMTYWBCL-UHFFFAOYSA-N" . "InChI=1S/C26H29F5N2O/c1-24(2,3)17-7-8-21-18(15-17)25(9-12-32(13-10-25)14-11-26(29,30)31)16-33(21)23(34)22-19(27)5-4-6-20(22)28/h4-8,15H,9-14,16H2,1-3H3" . "COc1cc(ccc1S(=O)(=O)N1CC(C(C1)c1cccc(c1)F)CN1CCN(CC1)c1ccc(cc1)F)[N+](=O)[O-]" . "COc1cc(ccc1S(=O)(=O)N1CC(C(C1)c1cccc(c1)F)CN1CCN(CC1)c1ccc(cc1)F)[N+](=O)[O-]" . "YSSZKXGYBVLEJP-UHFFFAOYSA-N" . "InChI=1S/C28H30F2N4O5S/c1-39-27-16-25(34(35)36)9-10-28(27)40(37,38)33-18-21(26(19-33)20-3-2-4-23(30)15-20)17-31-11-13-32(14-12-31)24-7-5-22(29)6-8-24/h2-10,15-16,21,26H,11-14,17-19H2,1H3" . "Fc1cc2ncc3c(c2cc1c1ccc(nc1)OCCCN1CCCCC1)n(C(C)C)c(=O)n3C" . "Fc1cc2ncc3c(c2cc1c1ccc(nc1)OCCCN1CCCCC1)n(C(C)C)c(=O)n3C" . "VQSZIPCGAGVRRP-UHFFFAOYSA-N" . "InChI=1S/C27H32FN5O2/c1-18(2)33-26-21-14-20(22(28)15-23(21)29-17-24(26)31(3)27(33)34)19-8-9-25(30-16-19)35-13-7-12-32-10-5-4-6-11-32/h8-9,14-18H,4-7,10-13H2,1-3H3" . "COc1ccccc1C=NNC(=O)COc1ccc(cc1C)Cl" . "COc1ccccc1C=NNC(=O)COc1ccc(cc1C)Cl" . "KDALDZRKOBJXIE-UHFFFAOYSA-N" . "InChI=1S/C17H17ClN2O3/c1-12-9-14(18)7-8-15(12)23-11-17(21)20-19-10-13-5-3-4-6-16(13)22-2/h3-10H,11H2,1-2H3,(H,20,21)" . "NCCCC[C@@H]1NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H]3N(C(=O)[C@@H](NC1=O)Cc1ccc(cc1)O)CCC3)CCC2)CCCCCCCC)CCC(=O)O)[C@H](O)C)[C@H](CC)C" . "NCCCC[C@@H]1NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H]3N(C(=O)[C@@H](NC1=O)Cc1ccc(cc1)O)CCC3)CCC2)CCCCCCCC)CCC(=O)O)[C@H](O)C)[C@H](CC)C" . "JMWYNUHGKFJVIB-QGFXQWJDSA-N" . "InChI=1S/C71H111N15O19/c1-6-8-9-10-11-12-19-46-60(94)76-48(30-32-56(91)92)63(97)82-58(42(5)88)67(101)74-41(4)59(93)80-50(39-87)64(98)81-57(40(3)7-2)71(105)86-37-18-24-54(86)70(104)84-35-16-22-52(84)66(100)78-47(29-31-55(73)90)62(96)75-45(20-13-14-33-72)61(95)79-49(38-43-25-27-44(89)28-26-43)68(102)85-36-17-23-53(85)69(103)83-34-15-21-51(83)65(99)77-46/h25-28,40-42,45-54,57-58,87-89H,6-24,29-39,72H2,1-5H3,(H2,73,90)(H,74,101)(H,75,96)(H,76,94)(H,77,99)(H,78,100)(H,79,95)(H,80,93)(H,81,98)(H,82,97)(H,91,92)/t40-,41-,42+,45-,46-,47-,48-,49-,50-,51-,52-,53+,54-,57-,58-/m0/s1" . "N#Cc1ncnc(c1)N1CCC(CC1)C(=O)N1N=CC[C@H]1c1cc(F)cc(c1)F" . "N#Cc1ncnc(c1)N1CCC(CC1)C(=O)N1N=CC[C@H]1c1cc(F)cc(c1)F" . "SJVGFKBLUYAEOK-SFHVURJKSA-N" . "InChI=1S/C20H18F2N6O/c21-15-7-14(8-16(22)9-15)18-1-4-26-28(18)20(29)13-2-5-27(6-3-13)19-10-17(11-23)24-12-25-19/h4,7-10,12-13,18H,1-3,5-6H2/t18-/m0/s1" . "Cc1ncc(nc1)C(=O)N[C@H]1CCCCC/C=C/[C@H]2[C@](NC(=O)[C@H]3N(C1=O)C[C@@H](C3)Oc1nc3ccccc3c3c1cccc3)(C2)C(=O)NS(=O)(=O)C1CC1" . "Cc1ncc(nc1)C(=O)N[C@H]1CCCCC/C=C/[C@H]2[C@](NC(=O)[C@H]3N(C1=O)C[C@@H](C3)Oc1nc3ccccc3c3c1cccc3)(C2)C(=O)NS(=O)(=O)C1CC1" . "UAUIUKWPKRJZJV-QPLHLKROSA-N" . "InChI=1S/C40H43N7O7S/c1-24-21-42-33(22-41-24)35(48)43-32-16-6-4-2-3-5-11-25-20-40(25,39(51)46-55(52,53)27-17-18-27)45-36(49)34-19-26(23-47(34)38(32)50)54-37-30-14-8-7-12-28(30)29-13-9-10-15-31(29)44-37/h5,7-15,21-22,25-27,32,34H,2-4,6,16-20,23H2,1H3,(H,43,48)(H,45,49)(H,46,51)/b11-5-/t25-,26-,32+,34+,40-/m1/s1" . "[O-][n+]1cccc(c1)CCOc1ccc(c2c1cccc2)Cl" . "[O-][n+]1cccc(c1)CCOc1ccc(c2c1cccc2)Cl" . "FXOVKEUUTXBOJZ-UHFFFAOYSA-N" . "InChI=1S/C17H14ClNO2/c18-16-7-8-17(15-6-2-1-5-14(15)16)21-11-9-13-4-3-10-19(20)12-13/h1-8,10,12H,9,11H2" . "CCCCCCSc1nc(O)cc(=O)[nH]1" . "CCCCCCSc1nc(O)cc(=O)[nH]1" . "UYXOAKRMLQKLQX-UHFFFAOYSA-N" . "InChI=1S/C10H16N2O2S/c1-2-3-4-5-6-15-10-11-8(13)7-9(14)12-10/h7H,2-6H2,1H3,(H2,11,12,13,14)" . "O=C1C=CC(=NC(=O)C)C=C1" . "O=C1C=CC(=NC(=O)C)C=C1" . "URNSECGXFRDEDC-UHFFFAOYSA-N" . "InChI=1S/C8H7NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5H,1H3" . "COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[C@@H]1CC[C@H](N1c1ccc(cc1)C(C)(C)C)c1ccc(cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)OC)C(C)C" . "COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[C@@H]1CC[C@H](N1c1ccc(cc1)C(C)(C)C)c1ccc(cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)OC)C(C)C" . "PIDFDZJZLOTZTM-KHVQSSSXSA-N" . "InChI=1S/C50H67N7O8/c1-30(2)42(53-48(62)64-8)46(60)55-28-10-12-40(55)44(58)51-35-20-14-32(15-21-35)38-26-27-39(57(38)37-24-18-34(19-25-37)50(5,6)7)33-16-22-36(23-17-33)52-45(59)41-13-11-29-56(41)47(61)43(31(3)4)54-49(63)65-9/h14-25,30-31,38-43H,10-13,26-29H2,1-9H3,(H,51,58)(H,52,59)(H,53,62)(H,54,63)/t38-,39-,40-,41-,42-,43-/m0/s1" . "COC(=O)N[C@H](C(=O)N1CC2(C[C@H]1c1ncc([nH]1)c1ccc3c(c1)C(F)(F)c1c3ccc(c1)c1ccc3c(c1)[nH]c(n3)[C@@H]1[C@H]3CC[C@@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C3)CC2)C(C)C" . "COC(=O)N[C@H](C(=O)N1CC2(C[C@H]1c1ncc([nH]1)c1ccc3c(c1)C(F)(F)c1c3ccc(c1)c1ccc3c(c1)[nH]c(n3)[C@@H]1[C@H]3CC[C@@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C3)CC2)C(C)C" . "VRTWBAAJJOHBQU-KMWAZVGDSA-N" . "InChI=1S/C49H54F2N8O6/c1-24(2)39(56-46(62)64-5)44(60)58-23-48(15-16-48)21-38(58)42-52-22-37(55-42)28-9-13-32-31-12-8-26(18-33(31)49(50,51)34(32)19-28)27-10-14-35-36(20-27)54-43(53-35)41-29-7-11-30(17-29)59(41)45(61)40(25(3)4)57-47(63)65-6/h8-10,12-14,18-20,22,24-25,29-30,38-41H,7,11,15-17,21,23H2,1-6H3,(H,52,55)(H,53,54)(H,56,62)(H,57,63)/t29-,30+,38-,39-,40-,41-/m0/s1" . "COc1c(cc(cc1C(C)(C)C)n1ccc(=O)[nH]c1=O)c1ccc2c(c1)ccc(c2)NS(=O)(=O)C" . "COc1c(cc(cc1C(C)(C)C)n1ccc(=O)[nH]c1=O)c1ccc2c(c1)ccc(c2)NS(=O)(=O)C" . "NBRBXGKOEOGLOI-UHFFFAOYSA-N" . "InChI=1S/C26H27N3O5S/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18/h6-15,28H,1-5H3,(H,27,30,31)" . "COC[C@H]1C[C@H](N(C1)C(=O)[C@@H](c1ccccc1)NC(=O)OC)c1ncc([nH]1)c1ccc2c(c1)COc1c2cc2ccc3c(c2c1)nc([nH]3)[C@@H]1CC[C@@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C" . "COC[C@H]1C[C@H](N(C1)C(=O)[C@@H](c1ccccc1)NC(=O)OC)c1ncc([nH]1)c1ccc2c(c1)COc1c2cc2ccc3c(c2c1)nc([nH]3)[C@@H]1CC[C@@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C" . "FHCUMDQMBHQXKK-CDIODLITSA-N" . "InChI=1S/C49H54N8O8/c1-26(2)41(54-48(60)63-5)47(59)57-27(3)12-17-38(57)45-51-36-16-14-30-20-35-33-15-13-31(19-32(33)25-65-40(35)21-34(30)43(36)53-45)37-22-50-44(52-37)39-18-28(24-62-4)23-56(39)46(58)42(55-49(61)64-6)29-10-8-7-9-11-29/h7-11,13-16,19-22,26-28,38-39,41-42H,12,17-18,23-25H2,1-6H3,(H,50,52)(H,51,53)(H,54,60)(H,55,61)/t27-,28-,38-,39-,41-,42+/m0/s1" . "COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1[nH]c2c(n1)cc(c(c2)[C@H]1CC[C@@H](N1c1cc(F)c(c(c1)F)N1CCC(CC1)c1ccc(cc1)F)c1cc2[nH]c(nc2cc1F)[C@@H]1CCCN1C(=O)[C@H]([C@H](OC)C)NC(=O)OC)F)[C@H](OC)C" . "COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1[nH]c2c(n1)cc(c(c2)[C@H]1CC[C@@H](N1c1cc(F)c(c(c1)F)N1CCC(CC1)c1ccc(cc1)F)c1cc2[nH]c(nc2cc1F)[C@@H]1CCCN1C(=O)[C@H]([C@H](OC)C)NC(=O)OC)F)[C@H](OC)C" . "VJYSBPDEJWLKKJ-NLIMODCCSA-N" . "InChI=1S/C57H65F5N10O8/c1-29(77-3)49(67-56(75)79-5)54(73)70-19-7-9-47(70)52-63-41-25-35(37(59)27-43(41)65-52)45-15-16-46(72(45)34-23-39(61)51(40(62)24-34)69-21-17-32(18-22-69)31-11-13-33(58)14-12-31)36-26-42-44(28-38(36)60)66-53(64-42)48-10-8-20-71(48)55(74)50(30(2)78-4)68-57(76)80-6/h11-14,23-30,32,45-50H,7-10,15-22H2,1-6H3,(H,63,65)(H,64,66)(H,67,75)(H,68,76)/t29-,30-,45-,46-,47+,48+,49+,50+/m1/s1" . "O=C1O[C@@H]2CCC[C@H]2OC/C=C/C(F)(F)c2c(O[C@H]3CN(C(=O)[C@@H](N1)C(C)(C)C)[C@@H](C3)C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)nc1c(n2)cccc1" . "O=C1O[C@@H]2CCC[C@H]2OC/C=C/C(F)(F)c2c(O[C@H]3CN(C(=O)[C@@H](N1)C(C)(C)C)[C@@H](C3)C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)nc1c(n2)cccc1" . "MLSQGNCUYAMAHD-ITNVBOSISA-N" . "InChI=1S/C38H46F4N6O9S/c1-35(2,3)28-32(50)48-19-20(17-24(48)30(49)46-37(18-21(37)29(39)40)33(51)47-58(53,54)36(4)14-15-36)56-31-27(43-22-9-5-6-10-23(22)44-31)38(41,42)13-8-16-55-25-11-7-12-26(25)57-34(52)45-28/h5-6,8-10,13,20-21,24-26,28-29H,7,11-12,14-19H2,1-4H3,(H,45,52)(H,46,49)(H,47,51)/b13-8+/t20-,21+,24+,25-,26-,28-,37-/m1/s1" . "COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc([nH]1)c1ccc(cc1)c1ccc(cc1)c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)OC)C(C)C" . "COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc([nH]1)c1ccc(cc1)c1ccc(cc1)c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)OC)C(C)C" . "FKRSSPOQAMALKA-CUPIEXAXSA-N" . "InChI=1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33-,34-/m0/s1" . "C[C@@H](c1ccccc1)Nc1cc(=O)n(c(=O)[nH]1)C(C)C" . "C[C@@H](c1ccccc1)Nc1cc(=O)n(c(=O)[nH]1)C(C)C" . "RLCLASQCAPXVLM-NSHDSACASA-N" . "InChI=1S/C15H19N3O2/c1-10(2)18-14(19)9-13(17-15(18)20)16-11(3)12-7-5-4-6-8-12/h4-11,16H,1-3H3,(H,17,20)/t11-/m0/s1" . "Clc1ccc(cc1)CCNc1cc(=O)[nH]c(=O)[nH]1" . "Clc1ccc(cc1)CCNc1cc(=O)[nH]c(=O)[nH]1" . "JSUODDTVALGQAK-UHFFFAOYSA-N" . "InChI=1S/C12H12ClN3O2/c13-9-3-1-8(2-4-9)5-6-14-10-7-11(17)16-12(18)15-10/h1-4,7H,5-6H2,(H3,14,15,16,17,18)" . "O=C1C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@]2([C@]2([C@H]1[C@@]1(C)CC[C@@H](C([C@@H]1CC2)(C)C)O)C)C)C(=O)O" . "O=C1C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@]2([C@]2([C@H]1[C@@]1(C)CC[C@@H](C([C@@H]1CC2)(C)C)O)C)C)C(=O)O" . "MPDGHEJMBKOTSU-YKLVYJNSSA-N" . "InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1" . "COc1ccc2c(c1)[nH]c(c(c2=O)C)c1cnn(c1)Cc1ccc(cc1)OC(F)(F)F" . "COc1ccc2c(c1)[nH]c(c(c2=O)C)c1cnn(c1)Cc1ccc(cc1)OC(F)(F)F" . "CJKMEXVEIKDLMA-UHFFFAOYSA-N" . "InChI=1S/C22H18F3N3O3/c1-13-20(27-19-9-17(30-2)7-8-18(19)21(13)29)15-10-26-28(12-15)11-14-3-5-16(6-4-14)31-22(23,24)25/h3-10,12H,11H2,1-2H3,(H,27,29)" . "COc1ccc(cc1)NC(=O)N[C@@H](C(=O)NCC1(CCCCC1)c1cccnc1)Cc1c[nH]c2c1cccc2" . "COc1ccc(cc1)NC(=O)N[C@@H](C(=O)NCC1(CCCCC1)c1cccnc1)Cc1c[nH]c2c1cccc2" . "INNVRNIOVHJSQS-MUUNZHRXSA-N" . "InChI=1S/C31H35N5O3/c1-39-25-13-11-24(12-14-25)35-30(38)36-28(18-22-19-33-27-10-4-3-9-26(22)27)29(37)34-21-31(15-5-2-6-16-31)23-8-7-17-32-20-23/h3-4,7-14,17,19-20,28,33H,2,5-6,15-16,18,21H2,1H3,(H,34,37)(H2,35,36,38)/t28-/m1/s1" . "COc1ccc2c(c1)C(=O)N(Cc1ccccc1)C(c1c2cccc1)C(=O)NC(C)(C)C" . "COc1ccc2c(c1)C(=O)N(Cc1ccccc1)C(c1c2cccc1)C(=O)NC(C)(C)C" . "KERMKRMLWZLZAK-UHFFFAOYSA-N" . "InChI=1S/C27H28N2O3/c1-27(2,3)28-25(30)24-22-13-9-8-12-20(22)21-15-14-19(32-4)16-23(21)26(31)29(24)17-18-10-6-5-7-11-18/h5-16,24H,17H2,1-4H3,(H,28,30)" . "CC(C[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)CC(C)C)Cc1nc[nH]c1)C(C)C)C)Cc1c[nH]c2c1cccc2)CCC(=O)N)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CCC(=O)N)CCCNC(=N)N)C" . "CC(C[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)CC(C)C)Cc1nc[nH]c1)C(C)C)C)Cc1c[nH]c2c1cccc2)CCC(=O)N)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CCC(=O)N)CCCNC(=N)N)C" . "SVVDBCGUBZWHSS-FPFNSDSHSA-N" . "InChI=1S/C72H112N24O18/c1-34(2)23-47(60(76)103)92-68(111)49(25-36(5)6)94-69(112)51(27-40-30-79-33-84-40)87-58(102)32-83-71(114)59(37(7)8)96-61(104)38(9)85-67(110)50(26-39-29-81-42-14-11-10-13-41(39)42)95-66(109)46(17-20-54(74)98)91-70(113)52(28-55(75)99)88-57(101)31-82-62(105)48(24-35(3)4)93-63(106)43(15-12-22-80-72(77)78)89-65(108)45(16-19-53(73)97)90-64(107)44-18-21-56(100)86-44/h10-11,13-14,29-30,33-38,43-52,59,81H,12,15-28,31-32H2,1-9H3,(H2,73,97)(H2,74,98)(H2,75,99)(H2,76,103)(H,79,84)(H,82,105)(H,83,114)(H,85,110)(H,86,100)(H,87,102)(H,88,101)(H,89,108)(H,90,107)(H,91,113)(H,92,111)(H,93,106)(H,94,112)(H,95,109)(H,96,104)(H4,77,78,80)/t38-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,59-/m0/s1" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)CCl)CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)CCCCCCCCC)CCCNC(=N)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)CCl)CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)CCCCCCCCC)CCCNC(=N)N" . "NHBJTTGFHCHQHS-VZTVMPNDSA-N" . "InChI=1S/C34H66ClN11O5/c1-4-5-6-7-8-9-10-18-28(48)43-25(17-14-21-42-34(39)40)31(50)46-29(23(2)3)32(51)45-26(15-11-12-19-36)30(49)44-24(27(47)22-35)16-13-20-41-33(37)38/h23-26,29H,4-22,36H2,1-3H3,(H,43,48)(H,44,49)(H,45,51)(H,46,50)(H4,37,38,41)(H4,39,40,42)/t24-,25-,26-,29-/m0/s1" . "FCC(=O)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C" . "FCC(=O)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C" . "ASXVEBPEZMSPHB-PKHIMPSTSA-N" . "InChI=1S/C21H23FN2O4/c1-15(19(25)13-22)23-20(26)18(12-16-8-4-2-5-9-16)24-21(27)28-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3,(H,23,26)(H,24,27)/t15?,18-/m0/s1" . "Cn1nc(nc2c1nc(=O)n(c2=O)C)c1ccc(cc1)C(F)(F)F" . "Cn1nc(nc2c1nc(=O)n(c2=O)C)c1ccc(cc1)C(F)(F)F" . "XRVMPTWWKLKLPB-UHFFFAOYSA-N" . "InChI=1S/C14H10F3N5O2/c1-21-12(23)9-11(19-13(21)24)22(2)20-10(18-9)7-3-5-8(6-4-7)14(15,16)17/h3-6H,1-2H3" . "OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1O)OCCCCCCCCOc1ccc2c(c1)cccn2)O" . "OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1O)OCCCCCCCCOc1ccc2c(c1)cccn2)O" . "PHDIJLFSKNMCMI-ITGJKDDRSA-N" . "InChI=1S/C23H33NO7/c25-15-19-20(26)22(21(27)23(28)31-19)30-13-6-4-2-1-3-5-12-29-17-9-10-18-16(14-17)8-7-11-24-18/h7-11,14,19-23,25-28H,1-6,12-13,15H2/t19-,20-,21-,22+,23?/m1/s1" . "COc1ccc2c(c1)C(=C(CO2)CN1CCCC1)c1ccc(cc1)F" . "COc1ccc2c(c1)C(=C(CO2)CN1CCCC1)c1ccc(cc1)F" . "VMMKGVRPILDZML-UHFFFAOYSA-N" . "InChI=1S/C21H22FNO2/c1-24-18-8-9-20-19(12-18)21(15-4-6-17(22)7-5-15)16(14-25-20)13-23-10-2-3-11-23/h4-9,12H,2-3,10-11,13-14H2,1H3" . "O=C(N1CCC(CC1)NC(=O)C(c1ccccc1)C1CCCCC1)CCc1cccnc1" . "O=C(N1CCC(CC1)NC(=O)C(c1ccccc1)C1CCCCC1)CCc1cccnc1" . "RMFOYNMWESQGBZ-UHFFFAOYSA-N" . "InChI=1S/C27H35N3O2/c31-25(14-13-21-8-7-17-28-20-21)30-18-15-24(16-19-30)29-27(32)26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1,3-4,7-10,17,20,23-24,26H,2,5-6,11-16,18-19H2,(H,29,32)" . "CCCCCCCCCc1cc(O)cc(=O)[nH]1" . "CCCCCCCCCc1cc(O)cc(=O)[nH]1" . "JCINCSYDDSRQQC-UHFFFAOYSA-N" . "InChI=1S/C14H23NO2/c1-2-3-4-5-6-7-8-9-12-10-13(16)11-14(17)15-12/h10-11H,2-9H2,1H3,(H2,15,16,17)" . "OCC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1[nH]c2c(c1)c(OC)ccc2)CC(C)C)C[C@@H]1CCNC1=O" . "OCC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1[nH]c2c(c1)c(OC)ccc2)CC(C)C)C[C@@H]1CCNC1=O" . "QDIMHKWNHMVDJB-WBAXXEDZSA-N" . "InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1" . "COc1cccc2c1cc([nH]2)C(=O)N[C@H](C(=O)N[C@H](C(=O)COP(=O)(O)O)C[C@@H]1CCNC1=O)CC(C)C" . "COc1cccc2c1cc([nH]2)C(=O)N[C@H](C(=O)N[C@H](C(=O)COP(=O)(O)O)C[C@@H]1CCNC1=O)CC(C)C" . "FQKALOFOWPDTED-WBAXXEDZSA-N" . "InChI=1S/C24H33N4O9P/c1-13(2)9-18(28-24(32)19-11-15-16(26-19)5-4-6-21(15)36-3)23(31)27-17(10-14-7-8-25-22(14)30)20(29)12-37-38(33,34)35/h4-6,11,13-14,17-18,26H,7-10,12H2,1-3H3,(H,25,30)(H,27,31)(H,28,32)(H2,33,34,35)/t14-,17-,18-/m0/s1" . "CC1=CC(=O)c2c3c1c1C(=CC(=O)c4c1c1c3c3c(c2O)c(O)cc(c3c2c1c(c4O)c(O)cc2O)O)C" . "CC1=CC(=O)c2c3c1c1C(=CC(=O)c4c1c1c3c3c(c2O)c(O)cc(c3c2c1c(c4O)c(O)cc2O)O)C" . "YDOIFHVUBCIUHF-UHFFFAOYSA-N" . "InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,33-38H,1-2H3" . "OCCN1CCN(CC1)CCCN1c2ccccc2C=Cc2c1cccc2" . "OCCN1CCN(CC1)CCCN1c2ccccc2C=Cc2c1cccc2" . "YNZFUWZUGRBMHL-UHFFFAOYSA-N" . "InChI=1S/C23H29N3O/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26/h1-4,6-11,27H,5,12-19H2" . "C#C[C@]1(O)C=C[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12" . "C#C[C@]1(O)C=C[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12" . "SIGSPDASOTUPFS-XUDSTZEESA-N" . "InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1" . "O=C1CC[C@H]2C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C" . "O=C1CC[C@H]2C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C" . "KZUIYQJTUIACIG-YBZCJVABSA-N" . "InChI=1S/C21H28O3/c1-12-10-18-16(15-5-4-14(23)11-17(12)15)6-8-20(3)19(18)7-9-21(20,24)13(2)22/h10-11,15-16,18-19,24H,4-9H2,1-3H3/t15-,16-,18-,19+,20+,21+/m1/s1" . "Nc1nc(=O)n(cc1F)[C@@H]1CS[C@@H](O1)CO" . "Nc1nc(=O)n(cc1F)[C@@H]1CS[C@@H](O1)CO" . "XQSPYNMVSIKCOC-NTSWFWBYSA-N" . "InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1" . "CC(CN(S(=O)(=O)c1ccc(cc1)N)C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H]1CCO2)O)C" . "CC(CN(S(=O)(=O)c1ccc(cc1)N)C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H]1CCO2)O)C" . "CJBJHOAVZSMMDJ-HEXNFIEUSA-N" . "InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1" . "O=C(C1CCN(CC1)S(=O)(=O)c1cc(Cl)cc(c1)Cl)NCc1ccc(cc1)F" . "O=C(C1CCN(CC1)S(=O)(=O)c1cc(Cl)cc(c1)Cl)NCc1ccc(cc1)F" . "VUOYAALVGSMUHC-UHFFFAOYSA-N" . "InChI=1S/C19H19Cl2FN2O3S/c20-15-9-16(21)11-18(10-15)28(26,27)24-7-5-14(6-8-24)19(25)23-12-13-1-3-17(22)4-2-13/h1-4,9-11,14H,5-8,12H2,(H,23,25)" . "NCCCC[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)CCC(=O)N)Cc1ccccc1" . "NCCCC[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)CCC(=O)N)Cc1ccccc1" . "BENFXAYNYRLAIU-QSVFAHTRSA-N" . "InChI=1S/C52H74N16O15S2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,61,75)(H,62,78)(H,63,82)(H,64,79)(H,65,81)(H,66,77)(H,67,80)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1" . "O=C(c1ccc2n(c1)c(=O)c1c(n2)ccc(c1)C(C)C)NCCN1CCN(CC1)c1ccccc1" . "O=C(c1ccc2n(c1)c(=O)c1c(n2)ccc(c1)C(C)C)NCCN1CCN(CC1)c1ccccc1" . "XYYIYKRFSGVWQQ-UHFFFAOYSA-N" . "InChI=1S/C28H31N5O2/c1-20(2)21-8-10-25-24(18-21)28(35)33-19-22(9-11-26(33)30-25)27(34)29-12-13-31-14-16-32(17-15-31)23-6-4-3-5-7-23/h3-11,18-20H,12-17H2,1-2H3,(H,29,34)" . "O=C(Nc1ccc[n+](c1)Cc1ccc(c(c1)Cl)Cl)COc1ccc(c(c1)Cl)Cl" . "O=C(Nc1ccc[n+](c1)Cc1ccc(c(c1)Cl)Cl)COc1ccc(c(c1)Cl)Cl" . "BJJNHDXKMSVOMG-UHFFFAOYSA-O" . "InChI=1S/C20H14Cl4N2O2/c21-16-5-3-13(8-18(16)23)10-26-7-1-2-14(11-26)25-20(27)12-28-15-4-6-17(22)19(24)9-15/h1-9,11H,10,12H2/p+1" . "O=C(C[N+](CC(=O)Nc1cccc(c1)C(F)(F)F)(C)C)Nc1cccc(c1)C(F)(F)F" . "O=C(C[N+](CC(=O)Nc1cccc(c1)C(F)(F)F)(C)C)Nc1cccc(c1)C(F)(F)F" . "YXFFXVOWPKYLNW-UHFFFAOYSA-O" . "InChI=1S/C20H19F6N3O2/c1-29(2,11-17(30)27-15-7-3-5-13(9-15)19(21,22)23)12-18(31)28-16-8-4-6-14(10-16)20(24,25)26/h3-10H,11-12H2,1-2H3,(H-,27,28,30,31)/p+1" . 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"NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)CCC(=O)O)C(C)C)CCC(=O)O)CCC(=O)O)CC(C)C)CC(C)C)CCCNC(=N)N)CCC(=O)O)C)CCC(=O)O)CCC(=O)O)CC(C)C)CC(C)C)CCCNC(=N)N)CCC(=O)O)CC(=O)O)CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)CCCCN)CCC(=O)O)CC(C)C)CCC(=O)N)CCCCN)Cc1ccc(cc1)O)CCC(=O)O)CCSC)CCCNC(=N)N)CC(C)C)CC(C)C)CC(=O)O)CCC(=O)O)CC(C)C)C)CCC(=O)O)C)CO)CCSC)CCCNC(=N)N)CO)CC(=O)O)CC(C)C)Cc1ccc(cc1)O)CCC(=O)O)Cc1ccccc1)CCSC" . "NDMHMGNPFJKEIS-HNVXLNGZSA-N" . "NC(=N)NCCNC(=O)C1(CCN(CC1)Cc1ccccc1)Nc1ccccc1" . "NC(=N)NCCNC(=O)C1(CCN(CC1)Cc1ccccc1)Nc1ccccc1" . "SCPYAGLHLAAYFP-UHFFFAOYSA-N" . "InChI=1S/C22H30N6O/c23-21(24)26-14-13-25-20(29)22(27-19-9-5-2-6-10-19)11-15-28(16-12-22)17-18-7-3-1-4-8-18/h1-10,27H,11-17H2,(H,25,29)(H4,23,24,26)" . "O=C[C@H](O[C@@H](n1cnc2c1ncnc2N)C=O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O" . "O=C[C@H](O[C@@H](n1cnc2c1ncnc2N)C=O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O" . "ZOSTZYMLOPBGQI-NKWVEPMBSA-N" . "InChI=1S/C10H14N5O13P3/c11-9-8-10(13-4-12-9)15(5-14-8)7(2-17)26-6(1-16)3-25-30(21,22)28-31(23,24)27-29(18,19)20/h1-2,4-7H,3H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t6-,7+/m0/s1" . "O=C1CC(=O)N(c2c(N1)c1ccccc1cc2)c1cccc(c1)c1noc(=S)[nH]1" . "O=C1CC(=O)N(c2c(N1)c1ccccc1cc2)c1cccc(c1)c1noc(=S)[nH]1" . "BNMITFGQPNUZHK-UHFFFAOYSA-N" . "InChI=1S/C21H14N4O3S/c26-17-11-18(27)25(14-6-3-5-13(10-14)20-23-21(29)28-24-20)16-9-8-12-4-1-2-7-15(12)19(16)22-17/h1-10H,11H2,(H,22,26)(H,23,24,29)" . "COC(=O)N1CCC[C@H](C1)Cc1c(nc2n1ccc(c2)C)c1c(F)cc(cc1F)C(=O)NC" . "COC(=O)N1CCC[C@H](C1)Cc1c(nc2n1ccc(c2)C)c1c(F)cc(cc1F)C(=O)NC" . "HHJIZLMOCIYWJF-HNNXBMFYSA-N" . "InChI=1S/C24H26F2N4O3/c1-14-6-8-30-19(10-15-5-4-7-29(13-15)24(32)33-3)22(28-20(30)9-14)21-17(25)11-16(12-18(21)26)23(31)27-2/h6,8-9,11-12,15H,4-5,7,10,13H2,1-3H3,(H,27,31)/t15-/m0/s1" . "O=Cc1c(COP(=O)(O)O)c(N=Nc2ccc(cc2)C(=O)O)nc(c1O)C" . "O=Cc1c(COP(=O)(O)O)c(N=Nc2ccc(cc2)C(=O)O)nc(c1O)C" . "NPBWMMRUXMTIRC-UHFFFAOYSA-N" . "InChI=1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25)" . "CCCCC1CCC(CC1)OC(=O)N[C@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)CC(C)C" . "CCCCC1CCC(CC1)OC(=O)N[C@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)CC(C)C" . "FOLCUFKJHSQMEL-BIXPGCQOSA-N" . "InChI=1S/C24H41N3O5/c1-4-5-6-17-7-9-20(10-8-17)32-24(31)27-21(13-16(2)3)23(30)26-19(15-28)14-18-11-12-25-22(18)29/h15-21H,4-14H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)/t17?,18-,19-,20?,21-/m0/s1" . "CCOCCCc1cnc[nH]1" . "CCOCCCc1cnc[nH]1" . "RSHKAUMLIJVWFJ-UHFFFAOYSA-N" . "InChI=1S/C8H14N2O/c1-2-11-5-3-4-8-6-9-7-10-8/h6-7H,2-5H2,1H3,(H,9,10)" . "CCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C(=O)CO" . "CCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C(=O)CO" . "GPNHMOZDMYNCPO-PDUMRIMRSA-N" . "InChI=1S/C24H34O5/c1-4-21(28)29-24(20(27)14-25)12-9-19-17-6-5-15-13-16(26)7-10-22(15,2)18(17)8-11-23(19,24)3/h13,17-19,25H,4-12,14H2,1-3H3/t17-,18+,19+,22+,23+,24+/m1/s1" . "Clc1ccc2c(c1)nc(n2Cc1ccccc1)N1CCNCC1" . "Clc1ccc2c(c1)nc(n2Cc1ccccc1)N1CCNCC1" . "RDAXAGXJSCEYLT-UHFFFAOYSA-N" . "InChI=1S/C18H19ClN4/c19-15-6-7-17-16(12-15)21-18(22-10-8-20-9-11-22)23(17)13-14-4-2-1-3-5-14/h1-7,12,20H,8-11,13H2" . "CCCCCCCCCCCC1=C(O)C(=O)C=C(C1=O)O" . "CCCCCCCCCCCC1=C(O)C(=O)C=C(C1=O)O" . "IRSFLDGTOHBADP-UHFFFAOYSA-N" . "InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3" . "O=C(Nc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O" . "O=C(Nc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O" . "VNPQLQQGQYADEZ-UHFFFAOYSA-N" . "InChI=1S/C49H36N6O23S6/c56-45(50-29-9-1-27(2-10-29)47(58)54-37-17-19-39(81(67,68)69)35-21-33(79(61,62)63)23-41(43(35)37)83(73,74)75)25-5-13-31(14-6-25)52-49(60)53-32-15-7-26(8-16-32)46(57)51-30-11-3-28(4-12-30)48(59)55-38-18-20-40(82(70,71)72)36-22-34(80(64,65)66)24-42(44(36)38)84(76,77)78/h1-24H,(H,50,56)(H,51,57)(H,54,58)(H,55,59)(H2,52,53,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)" . "Clc1ccc(c(c1)C(F)(F)F)NC(=O)c1nocc1" . "Clc1ccc(c(c1)C(F)(F)F)NC(=O)c1nocc1" . "COZVUVXNGYGPKO-UHFFFAOYSA-N" . "InChI=1S/C11H6ClF3N2O2/c12-6-1-2-8(7(5-6)11(13,14)15)16-10(18)9-3-4-19-17-9/h1-5H,(H,16,18)" . "COc1ccccc1Nc1nc2c(s1)cccc2" . "COc1ccccc1Nc1nc2c(s1)cccc2" . "OAXDBPDAUUFQFJ-UHFFFAOYSA-N" . "InChI=1S/C14H12N2OS/c1-17-12-8-4-2-6-10(12)15-14-16-11-7-3-5-9-13(11)18-14/h2-9H,1H3,(H,15,16)" . "CC(NC(=O)COc1c(C)cc(cc1C)Cl)C" . "CC(NC(=O)COc1c(C)cc(cc1C)Cl)C" . "GMPVHSCTBWUYRE-UHFFFAOYSA-N" . "InChI=1S/C13H18ClNO2/c1-8(2)15-12(16)7-17-13-9(3)5-11(14)6-10(13)4/h5-6,8H,7H2,1-4H3,(H,15,16)" . "OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)Cc1ccccc1)N" . "OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)Cc1ccccc1)N" . "VWBPRJXOZDIUPZ-VGWMRTNUSA-N" . "InChI=1S/C22H35N9O6/c23-13(11-32)19(35)31-16(9-12-5-2-1-3-6-12)21(37)29-14(7-4-8-28-22(26)27)20(36)30-15(18(25)34)10-17(24)33/h1-3,5-6,13-16,32H,4,7-11,23H2,(H2,24,33)(H2,25,34)(H,29,37)(H,30,36)(H,31,35)(H4,26,27,28)/t13-,14-,15-,16-/m0/s1" . "FCCOc1cccc(c1F)c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(c1=O)C[C@H](N1CCCC1=O)c1ccccc1" . "FCCOc1cccc(c1F)c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(c1=O)C[C@H](N1CCCC1=O)c1ccccc1" . "YNSHZGLASDJCCG-SANMLTNESA-N" . "InChI=1S/C33H29F6N3O4/c1-20-29(22-10-5-13-27(30(22)36)46-17-15-34)31(44)42(19-26(21-8-3-2-4-9-21)40-16-7-14-28(40)43)32(45)41(20)18-23-24(33(37,38)39)11-6-12-25(23)35/h2-6,8-13,26H,7,14-19H2,1H3/t26-/m0/s1" . "CCn1c(=O)c2c(C)c(sc2n(c1=O)CCC(F)(F)F)C(=O)N1CCC(CC1)O" . "CCn1c(=O)c2c(C)c(sc2n(c1=O)CCC(F)(F)F)C(=O)N1CCC(CC1)O" . "NTYVAKNEYLJAPT-UHFFFAOYSA-N" . "InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3" . "CC(OC(=O)C1=C(C)Nc2n(C1c1ccco1)c1ccccc1n2)C" . "CC(OC(=O)C1=C(C)Nc2n(C1c1ccco1)c1ccccc1n2)C" . "NYHLRBMDXQBOIB-UHFFFAOYSA-N" . "InChI=1S/C19H19N3O3/c1-11(2)25-18(23)16-12(3)20-19-21-13-7-4-5-8-14(13)22(19)17(16)15-9-6-10-24-15/h4-11,17H,1-3H3,(H,20,21)" . "OCCOc1ccc(cc1)c1c(C#N)c(SCc2csc(n2)c2ccc(cc2)Cl)nc(c1C#N)N1CCCC1" . "OCCOc1ccc(cc1)c1c(C#N)c(SCc2csc(n2)c2ccc(cc2)Cl)nc(c1C#N)N1CCCC1" . "RFJKJKQQWXKVTD-UHFFFAOYSA-N" . "InChI=1S/C29H24ClN5O2S2/c30-21-7-3-20(4-8-21)28-33-22(17-38-28)18-39-29-25(16-32)26(19-5-9-23(10-6-19)37-14-13-36)24(15-31)27(34-29)35-11-1-2-12-35/h3-10,17,36H,1-2,11-14,18H2" . "OCCOc1ccc(cc1)c1c(C#N)c(SCc2csc(n2)c2ccc(cc2)Cl)nc(c1C#N)N" . "OCCOc1ccc(cc1)c1c(C#N)c(SCc2csc(n2)c2ccc(cc2)Cl)nc(c1C#N)N" . "CITWCLNVRIKQAF-UHFFFAOYSA-N" . "InChI=1S/C25H18ClN5O2S2/c26-17-5-1-16(2-6-17)24-30-18(13-34-24)14-35-25-21(12-28)22(20(11-27)23(29)31-25)15-3-7-19(8-4-15)33-10-9-32/h1-8,13,32H,9-10,14H2,(H2,29,31)" . "OCCCCN(C(=O)Nc1ccc(cc1)CN)Cc1ccc(cc1)C(=O)NO" . "OCCCCN(C(=O)Nc1ccc(cc1)CN)Cc1ccc(cc1)C(=O)NO" . "VTRGFHYHEAEHGS-UHFFFAOYSA-N" . "InChI=1S/C20H26N4O4/c21-13-15-5-9-18(10-6-15)22-20(27)24(11-1-2-12-25)14-16-3-7-17(8-4-16)19(26)23-28/h3-10,25,28H,1-2,11-14,21H2,(H,22,27)(H,23,26)" . "O=C(c1[nH]cc(c1C)Cc1ccc(nc1)C(F)(F)F)NC1CC1" . "O=C(c1[nH]cc(c1C)Cc1ccc(nc1)C(F)(F)F)NC1CC1" . "AFOVOYRODSYDMK-UHFFFAOYSA-N" . "InChI=1S/C16H16F3N3O/c1-9-11(8-21-14(9)15(23)22-12-3-4-12)6-10-2-5-13(20-7-10)16(17,18)19/h2,5,7-8,12,21H,3-4,6H2,1H3,(H,22,23)" . "Brc1cc(CN(C2CCCCC2)C)c(c(c1)Br)N" . "Brc1cc(CN(C2CCCCC2)C)c(c(c1)Br)N" . "OJGDCBLYJGHCIH-UHFFFAOYSA-N" . "InChI=1S/C14H20Br2N2/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17/h7-8,12H,2-6,9,17H2,1H3" . "O=C[C@@H](NC(=O)[C@@H](NC(=O)OCC1CCC(CC1)(F)F)CC(C)C)C[C@@H]1CCNC1=O" . "O=C[C@@H](NC(=O)[C@@H](NC(=O)OCC1CCC(CC1)(F)F)CC(C)C)C[C@@H]1CCNC1=O" . "COXVPYKZDDKVRF-ULQDDVLXSA-N" . "InChI=1S/C21H33F2N3O5/c1-13(2)9-17(19(29)25-16(11-27)10-15-5-8-24-18(15)28)26-20(30)31-12-14-3-6-21(22,23)7-4-14/h11,13-17H,3-10,12H2,1-2H3,(H,24,28)(H,25,29)(H,26,30)/t15-,16-,17-/m0/s1" . "COc1c/c(=C/2/C=c3c(=N2)cccc3)/[nH]/c/1=C/c1[nH]c(cc1C)C" . "COc1c/c(=C/2/C=c3c(=N2)cccc3)/[nH]/c/1=C/c1[nH]c(cc1C)C" . "CVCLJVVBHYOXDC-LKIBBAOUSA-N" . "InChI=1S/C20H19N3O/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17/h4-11,21,23H,1-3H3/b18-17+,19-10-" . "c1ccc2c(c1)c(c[nH]2)Cc1c[nH]c2c1cccc2" . "c1ccc2c(c1)c(c[nH]2)Cc1c[nH]c2c1cccc2" . "VFTRKSBEFQDZKX-UHFFFAOYSA-N" . "InChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2" . "C[C@@H]1CC[C@H]([C@H](C1)P(=O)(c1ccccc1)c1ccccc1)C(C)C" . "C[C@@H]1CC[C@H]([C@H](C1)P(=O)(c1ccccc1)c1ccccc1)C(C)C" . "BPCNGVCAHAIZEE-COPCDDAFSA-N" . "InChI=1S/C22H29OP/c1-17(2)21-15-14-18(3)16-22(21)24(23,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3/t18-,21+,22+/m1/s1" . "CCCCS(=O)(=O)Nc1ccccc1C(=O)N[C@@H](c1ccc(nc1)OC)CC" . "CCCCS(=O)(=O)Nc1ccccc1C(=O)N[C@@H](c1ccc(nc1)OC)CC" . "BFQMQSIBOHOPCY-QGZVFWFLSA-N" . "InChI=1S/C20H27N3O4S/c1-4-6-13-28(25,26)23-18-10-8-7-9-16(18)20(24)22-17(5-2)15-11-12-19(27-3)21-14-15/h7-12,14,17,23H,4-6,13H2,1-3H3,(H,22,24)/t17-/m1/s1" . "N[C@H](Cn1nnc(n1)c1ccc(cc1)Oc1ncc(cc1F)Cl)CC(=O)O" . "N[C@H](Cn1nnc(n1)c1ccc(cc1)Oc1ncc(cc1F)Cl)CC(=O)O" . "ZEGMEJVULDALSH-NSHDSACASA-N" . "InChI=1S/C16H14ClFN6O3/c17-10-5-13(18)16(20-7-10)27-12-3-1-9(2-4-12)15-21-23-24(22-15)8-11(19)6-14(25)26/h1-5,7,11H,6,8,19H2,(H,25,26)/t11-/m0/s1" . "C[C@H](N1Cc2c(C1=O)c(cc(c2)c1sc(nc1C)Nc1cccc(n1)N1CCCC1=O)S(=O)(=O)C)C1CC1" . "C[C@H](N1Cc2c(C1=O)c(cc(c2)c1sc(nc1C)Nc1cccc(n1)N1CCCC1=O)S(=O)(=O)C)C1CC1" . "XOMFDZJQLSPGGV-INIZCTEOSA-N" . "InChI=1S/C27H29N5O4S2/c1-15-25(37-27(28-15)30-21-6-4-7-22(29-21)31-11-5-8-23(31)33)18-12-19-14-32(16(2)17-9-10-17)26(34)24(19)20(13-18)38(3,35)36/h4,6-7,12-13,16-17H,5,8-11,14H2,1-3H3,(H,28,29,30)/t16-/m0/s1" . "Cn1ncc(c1)Nc1nccc(n1)c1ccc2c(c1)CN(CCC2NC(=O)c1nnn(c1)C(C)(C)C)C1COC1" . "Cn1ncc(c1)Nc1nccc(n1)c1ccc2c(c1)CN(CCC2NC(=O)c1nnn(c1)C(C)(C)C)C1COC1" . "JSAQBOQCZJHWMA-UHFFFAOYSA-N" . "InChI=1S/C28H34N10O2/c1-28(2,3)38-15-25(34-35-38)26(39)32-24-8-10-37(21-16-40-17-21)13-19-11-18(5-6-22(19)24)23-7-9-29-27(33-23)31-20-12-30-36(4)14-20/h5-7,9,11-12,14-15,21,24H,8,10,13,16-17H2,1-4H3,(H,32,39)(H,29,31,33)" . "OCC1OC(Sc2cncc(c2)Br)C(C(C1O)n1nnc(c1)c1cc(F)c(c(c1)F)F)O" . "OCC1OC(Sc2cncc(c2)Br)C(C(C1O)n1nnc(c1)c1cc(F)c(c(c1)F)F)O" . "FNCLKJPMEFPXOR-UHFFFAOYSA-N" . "InChI=1S/C19H16BrF3N4O4S/c20-9-3-10(5-24-4-9)32-19-18(30)16(17(29)14(7-28)31-19)27-6-13(25-26-27)8-1-11(21)15(23)12(22)2-8/h1-6,14,16-19,28-30H,7H2" . "NCC(c1nc(c([nH]1)c1ccc(c(c1)O)Cl)c1ccncc1)(C)C" . "NCC(c1nc(c([nH]1)c1ccc(c(c1)O)Cl)c1ccncc1)(C)C" . "YRHGMGAVJILIGS-UHFFFAOYSA-N" . "InChI=1S/C18H19ClN4O/c1-18(2,10-20)17-22-15(11-5-7-21-8-6-11)16(23-17)12-3-4-13(19)14(24)9-12/h3-9,24H,10,20H2,1-2H3,(H,22,23)" . "CNC[C@H](c1cc(F)cc(c1)Br)NC(=O)c1ccc(cc1F)c1nc(cnc1N)[C@H]1CC[C@@H]([C@H](C1)F)O" . "CNC[C@H](c1cc(F)cc(c1)Br)NC(=O)c1ccc(cc1F)c1nc(cnc1N)[C@H]1CC[C@@H]([C@H](C1)F)O" . "YFCIFWOJYYFDQP-PTWZRHHISA-N" . "InChI=1S/C26H27BrF3N5O2/c1-32-11-21(15-6-16(27)10-17(28)7-15)35-26(37)18-4-2-14(9-19(18)29)24-25(31)33-12-22(34-24)13-3-5-23(36)20(30)8-13/h2,4,6-7,9-10,12-13,20-21,23,32,36H,3,5,8,11H2,1H3,(H2,31,33)(H,35,37)/t13-,20-,21+,23-/m0/s1" . "C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(O)O" . "C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(O)O" . "SGOIRFVFHAKUTI-ZCFIWIBFSA-N" . "InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m1/s1" . "Fc1ccc(cc1C(=O)N1CCN(CC1)c1ncccn1)Cn1c(=O)[nH]c(=O)c2c1cccc2F" . "Fc1ccc(cc1C(=O)N1CCN(CC1)c1ncccn1)Cn1c(=O)[nH]c(=O)c2c1cccc2F" . "VBTUJTGLLREMNW-UHFFFAOYSA-N" . "InChI=1S/C24H20F2N6O3/c25-17-6-5-15(14-32-19-4-1-3-18(26)20(19)21(33)29-24(32)35)13-16(17)22(34)30-9-11-31(12-10-30)23-27-7-2-8-28-23/h1-8,13H,9-12,14H2,(H,29,33,35)" . "CC(COc1ccc(cc1)c1cnc2n1nc(cc2)NC(c1cccc(c1)F)C)N" . "CC(COc1ccc(cc1)c1cnc2n1nc(cc2)NC(c1cccc(c1)F)C)N" . "HEVHTYMYEMEBPX-UHFFFAOYSA-N" . "InChI=1S/C23H24FN5O/c1-15(25)14-30-20-8-6-17(7-9-20)21-13-26-23-11-10-22(28-29(21)23)27-16(2)18-4-3-5-19(24)12-18/h3-13,15-16H,14,25H2,1-2H3,(H,27,28)" . "CCOc1cc(Cl)c(cc1N1CCOCC1)C(=O)NC(=O)Nc1nc2c(s1)cc(cc2)CN1CCN(CC1)C" . "CCOc1cc(Cl)c(cc1N1CCOCC1)C(=O)NC(=O)Nc1nc2c(s1)cc(cc2)CN1CCN(CC1)C" . "NNVMPPRFBOTMMO-UHFFFAOYSA-N" . "InChI=1S/C27H33ClN6O4S/c1-3-38-23-16-20(28)19(15-22(23)34-10-12-37-13-11-34)25(35)30-26(36)31-27-29-21-5-4-18(14-24(21)39-27)17-33-8-6-32(2)7-9-33/h4-5,14-16H,3,6-13,17H2,1-2H3,(H2,29,30,31,35,36)" . "COc1ccc2c(n1)c(CCNC(=O)C)cn2CCNC(=O)CCCCCN1c2ccc(cc2C(/C/1=C/C=C/C1=[N+](CC)c2c(C1(C)C)cc(cc2)S(=O)(=O)O)(C)C)S(=O)(=O)[O-]" . "COc1ccc2c(n1)c(CCNC(=O)C)cn2CCNC(=O)CCCCCN1c2ccc(cc2C(/C/1=C/C=C/C1=[N+](CC)c2c(C1(C)C)cc(cc2)S(=O)(=O)O)(C)C)S(=O)(=O)[O-]" . "UCZXUWQDKMFXCJ-UHFFFAOYSA-N" . "InChI=1S/C45H56N6O9S2/c1-8-50-36-18-16-32(61(54,55)56)27-34(36)44(3,4)39(50)13-12-14-40-45(5,6)35-28-33(62(57,58)59)17-19-37(35)51(40)25-11-9-10-15-41(53)47-24-26-49-29-31(22-23-46-30(2)52)43-38(49)20-21-42(48-43)60-7/h12-14,16-21,27-29H,8-11,15,22-26H2,1-7H3,(H3-,46,47,52,53,54,55,56,57,58,59)" . "Fc1cc(Oc2ccccn2)cc(c1)N1Cc2c(S1(=O)=O)cccc2" . "Fc1cc(Oc2ccccn2)cc(c1)N1Cc2c(S1(=O)=O)cccc2" . "LDMHZAQFLWCKDT-UHFFFAOYSA-N" . "InChI=1S/C18H13FN2O3S/c19-14-9-15(11-16(10-14)24-18-7-3-4-8-20-18)21-12-13-5-1-2-6-17(13)25(21,22)23/h1-11H,12H2" . "CCCCC1(CCCC)CN(c2ccccc2)c2c(S(=O)(=O)N1)cc(c(c2)SC)OCC(=O)N[C@@H](C(=O)N[C@H](C(=O)O)CC)c1ccc(cc1)O" . "CCCCC1(CCCC)CN(c2ccccc2)c2c(S(=O)(=O)N1)cc(c(c2)SC)OCC(=O)N[C@@H](C(=O)N[C@H](C(=O)O)CC)c1ccc(cc1)O" . "XULSCZPZVQIMFM-IPZQJPLYSA-N" . "InChI=1S/C37H48N4O8S2/c1-5-8-19-37(20-9-6-2)24-41(26-13-11-10-12-14-26)29-21-31(50-4)30(22-32(29)51(47,48)40-37)49-23-33(43)39-34(25-15-17-27(42)18-16-25)35(44)38-28(7-3)36(45)46/h10-18,21-22,28,34,40,42H,5-9,19-20,23-24H2,1-4H3,(H,38,44)(H,39,43)(H,45,46)/t28-,34+/m0/s1" . "C=CC(=O)N1CC2C(C1)CC(C2)n1nc(c2c1ncnc2N)c1ccc(cc1)C(=O)Nc1ccccn1" . "C=CC(=O)N1CC2C(C1)CC(C2)n1nc(c2c1ncnc2N)c1ccc(cc1)C(=O)Nc1ccccn1" . "YMCOZPHXLROTBV-UHFFFAOYSA-N" . "InChI=1S/C27H26N8O2/c1-2-22(36)34-13-18-11-20(12-19(18)14-34)35-26-23(25(28)30-15-31-26)24(33-35)16-6-8-17(9-7-16)27(37)32-21-5-3-4-10-29-21/h2-10,15,18-20H,1,11-14H2,(H2,28,30,31)(H,29,32,37)" . "COc1cc(OCc2ccnc(n2)Nc2cnn(c2)C)c(c2c1nc(s2)N[C@H]1CCCC[C@@H]1O)Cl" . "COc1cc(OCc2ccnc(n2)Nc2cnn(c2)C)c(c2c1nc(s2)N[C@H]1CCCC[C@@H]1O)Cl" . "JYFJGEOXSQLPMB-HOTGVXAUSA-N" . "InChI=1S/C23H26ClN7O3S/c1-31-11-14(10-26-31)28-22-25-8-7-13(27-22)12-34-17-9-18(33-2)20-21(19(17)24)35-23(30-20)29-15-5-3-4-6-16(15)32/h7-11,15-16,32H,3-6,12H2,1-2H3,(H,29,30)(H,25,27,28)/t15-,16-/m0/s1" . "O=C(c1ccc(c(c1)C#Cc1cnc2c(c1)cccc2)C)NNC(=O)c1c(C)cccc1Cl" . "O=C(c1ccc(c(c1)C#Cc1cnc2c(c1)cccc2)C)NNC(=O)c1c(C)cccc1Cl" . "ZQOBVMHBVWNVBG-UHFFFAOYSA-N" . "InChI=1S/C27H20ClN3O2/c1-17-10-12-22(26(32)30-31-27(33)25-18(2)6-5-8-23(25)28)15-20(17)13-11-19-14-21-7-3-4-9-24(21)29-16-19/h3-10,12,14-16H,1-2H3,(H,30,32)(H,31,33)" . "CC(=O)c1c(C)c2cnc(nc2n(c1=O)C1CCCC1)Nc1ccc(cn1)C1CCNCC1" . "CC(=O)c1c(C)c2cnc(nc2n(c1=O)C1CCCC1)Nc1ccc(cn1)C1CCNCC1" . "SGJLSPUSUBJWHO-UHFFFAOYSA-N" . "InChI=1S/C25H30N6O2/c1-15-20-14-28-25(29-21-8-7-18(13-27-21)17-9-11-26-12-10-17)30-23(20)31(19-5-3-4-6-19)24(33)22(15)16(2)32/h7-8,13-14,17,19,26H,3-6,9-12H2,1-2H3,(H,27,28,29,30)" . "O=C(c1ccc2c(c1)OCCO2)CCC(=O)c1ccccc1" . "O=C(c1ccc2c(c1)OCCO2)CCC(=O)c1ccccc1" . "AOCDRSSVFUCURK-UHFFFAOYSA-N" . "InChI=1S/C18H16O4/c19-15(13-4-2-1-3-5-13)7-8-16(20)14-6-9-17-18(12-14)22-11-10-21-17/h1-6,9,12H,7-8,10-11H2" . "CN(Cc1cncc(c1)c1cnc2c(c1)c(n[nH]2)c1nc2c([nH]1)c(cnc2)c1cccc(c1)F)C" . "CN(Cc1cncc(c1)c1cnc2c(c1)c(n[nH]2)c1nc2c([nH]1)c(cnc2)c1cccc(c1)F)C" . "YBBUGSYNPXTSGW-UHFFFAOYSA-N" . "InChI=1S/C26H21FN8/c1-35(2)14-15-6-17(10-28-9-15)18-8-20-24(33-34-25(20)30-11-18)26-31-22-13-29-12-21(23(22)32-26)16-4-3-5-19(27)7-16/h3-13H,14H2,1-2H3,(H,31,32)(H,30,33,34)" . "NCc1ccc(cc1)Oc1ccc(cc1)S(=O)(=O)C[C@@H]1SC1" . "NCc1ccc(cc1)Oc1ccc(cc1)S(=O)(=O)C[C@@H]1SC1" . "GRRDUDJQILRRES-OAHLLOKOSA-N" . "InChI=1S/C16H17NO3S2/c17-9-12-1-3-13(4-2-12)20-14-5-7-16(8-6-14)22(18,19)11-15-10-21-15/h1-8,15H,9-11,17H2/t15-/m1/s1" . "O=C(c1nc(cnc1N)c1ncccc1C(F)(F)F)Nc1ncccc1N1CCC(CC1)(C)N" . "O=C(c1nc(cnc1N)c1ncccc1C(F)(F)F)Nc1ncccc1N1CCC(CC1)(C)N" . "XXJXHXJWQSCNPX-UHFFFAOYSA-N" . "InChI=1S/C22H23F3N8O/c1-21(27)6-10-33(11-7-21)15-5-3-9-29-19(15)32-20(34)17-18(26)30-12-14(31-17)16-13(22(23,24)25)4-2-8-28-16/h2-5,8-9,12H,6-7,10-11,27H2,1H3,(H2,26,30)(H,29,32,34)" . "Cc1cnc(c(c1)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C(=O)c1ncnc2c1cc[nH]2" . "Cc1cnc(c(c1)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C(=O)c1ncnc2c1cc[nH]2" . "LUUMLYXKTPBTQR-UHFFFAOYSA-N" . "InChI=1S/C20H13ClF3N5O3S/c1-10-6-15(29-33(31,32)11-2-3-14(21)13(7-11)20(22,23)24)17(26-8-10)18(30)16-12-4-5-25-19(12)28-9-27-16/h2-9,29H,1H3,(H,25,27,28)" . "Fc1ccc(cc1C(=O)N1CC(C1)CNC1CC1)Cc1n[nH]c(=O)c2c1cccc2" . "Fc1ccc(cc1C(=O)N1CC(C1)CNC1CC1)Cc1n[nH]c(=O)c2c1cccc2" . "YNBQAYKYNYRCCA-UHFFFAOYSA-N" . "InChI=1S/C23H23FN4O2/c24-20-8-5-14(10-21-17-3-1-2-4-18(17)22(29)27-26-21)9-19(20)23(30)28-12-15(13-28)11-25-16-6-7-16/h1-5,8-9,15-16,25H,6-7,10-13H2,(H,27,29)" . "O=C(c1coc(n1)CCNCCc1nc2c([nH]1)cccc2)NCc1ncccc1F" . "O=C(c1coc(n1)CCNCCc1nc2c([nH]1)cccc2)NCc1ncccc1F" . "KNYVRFXIVWUGBZ-UHFFFAOYSA-N" . "InChI=1S/C21H21FN6O2/c22-14-4-3-9-24-17(14)12-25-21(29)18-13-30-20(28-18)8-11-23-10-7-19-26-15-5-1-2-6-16(15)27-19/h1-6,9,13,23H,7-8,10-12H2,(H,25,29)(H,26,27)" . "CC[C@@H](C(=O)N[C@]1(C#N)C[C@@H]1c1ccc(cc1)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C)N" . "CC[C@@H](C(=O)N[C@]1(C#N)C[C@@H]1c1ccc(cc1)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C)N" . "LJIOTBMDLVHTBO-CUYJMHBOSA-N" . "InChI=1S/C25H31N5O3S/c1-3-23(27)24(31)28-25(17-26)16-22(25)20-6-4-18(5-7-20)19-8-10-21(11-9-19)34(32,33)30-14-12-29(2)13-15-30/h4-11,22-23H,3,12-16,27H2,1-2H3,(H,28,31)/t22-,23+,25+/m1/s1" . "C/C=C/C(=O)N(c1ccccc1C)CC" . "C/C=C/C(=O)N(c1ccccc1C)CC" . "DNTGGZPQPQTDQF-XBXARRHUSA-N" . "InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3/b8-4+" . "CC(OC1CN(C1)C(=O)NCc1ccc(cc1C)c1ccnc(n1)Nc1cnn(c1)C)C" . "CC(OC1CN(C1)C(=O)NCc1ccc(cc1C)c1ccnc(n1)Nc1cnn(c1)C)C" . "BMWMKGNVAMXXCH-UHFFFAOYSA-N" . "InChI=1S/C23H29N7O2/c1-15(2)32-20-13-30(14-20)23(31)25-10-18-6-5-17(9-16(18)3)21-7-8-24-22(28-21)27-19-11-26-29(4)12-19/h5-9,11-12,15,20H,10,13-14H2,1-4H3,(H,25,31)(H,24,27,28)" . "CN(CCCOc1c(OCc2ccccc2)cc(c2c1oc(cc2=O)c1ccccc1)O)C" . "CN(CCCOc1c(OCc2ccccc2)cc(c2c1oc(cc2=O)c1ccccc1)O)C" . "CZZGXKYKSUTFEU-UHFFFAOYSA-N" . "InChI=1S/C27H27NO5/c1-28(2)14-9-15-31-26-24(32-18-19-10-5-3-6-11-19)17-22(30)25-21(29)16-23(33-27(25)26)20-12-7-4-8-13-20/h3-8,10-13,16-17,30H,9,14-15,18H2,1-2H3" . "OC[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](OC(C)(C)C)C)NC(=O)OCc1ccccc1)CC1CCCCC1)C[C@@H]1CCNC1=O" . "OC[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](OC(C)(C)C)C)NC(=O)OCc1ccccc1)CC1CCCCC1)C[C@@H]1CCNC1=O" . "YIWYOEOSWRXENJ-FFXRMZKPSA-N" . "InChI=1S/C32H50N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,21-22,24-27,37H,5,7-8,11-12,15-20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21-,24+,25+,26+,27+/m1/s1" . "O=C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1)CC(C)C)C[C@@H]1CCNC1=O" . "O=C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1)CC(C)C)C[C@@H]1CCNC1=O" . "RUHYGYHBVKWREW-CMOCDZPBSA-N" . "InChI=1S/C26H38N4O6/c1-16(2)12-21(24(33)28-20(14-31)13-19-10-11-27-23(19)32)29-25(34)22(17(3)4)30-26(35)36-15-18-8-6-5-7-9-18/h5-9,14,16-17,19-22H,10-13,15H2,1-4H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t19-,20-,21-,22-/m0/s1" . "ClCC(=O)NC(c1cc(Cl)cc(c1)c1ccc(cc1)S(=O)(=O)N)C" . "ClCC(=O)NC(c1cc(Cl)cc(c1)c1ccc(cc1)S(=O)(=O)N)C" . "QXFHJCBKHQAQDM-UHFFFAOYSA-N" . "InChI=1S/C16H16Cl2N2O3S/c1-10(20-16(21)9-17)12-6-13(8-14(18)7-12)11-2-4-15(5-3-11)24(19,22)23/h2-8,10H,9H2,1H3,(H,20,21)(H2,19,22,23)" . "Clc1cncc(c1)OC(=O)c1cccc2c1cc[nH]2" . "Clc1cncc(c1)OC(=O)c1cccc2c1cc[nH]2" . "BOSZJNSICHFHMA-UHFFFAOYSA-N" . "InChI=1S/C14H9ClN2O2/c15-9-6-10(8-16-7-9)19-14(18)12-2-1-3-13-11(12)4-5-17-13/h1-8,17H" . "COc1nc2ccc(cc2cc1[C@H]([C@](c1cccc2c1cccc2)(CCN(C)C)O)c1ccccc1)Br" . "COc1nc2ccc(cc2cc1[C@H]([C@](c1cccc2c1cccc2)(CCN(C)C)O)c1ccccc1)Br" . "QUIJNHUBAXPXFS-XLJNKUFUSA-N" . "InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1" . "Cc1cn2c(n1)c(C)cc(n2)c1cc(=O)n2c(n1)ccc(c2)N1CCNC2(C1)CC2" . "Cc1cn2c(n1)c(C)cc(n2)c1cc(=O)n2c(n1)ccc(c2)N1CCNC2(C1)CC2" . "ASKZRYGFUPSJPN-UHFFFAOYSA-N" . "InChI=1S/C22H23N7O/c1-14-9-18(26-29-11-15(2)24-21(14)29)17-10-20(30)28-12-16(3-4-19(28)25-17)27-8-7-23-22(13-27)5-6-22/h3-4,9-12,23H,5-8,13H2,1-2H3" . "CN(CCC(c1ccccn1)c1ccccc1)C" . "CN(CCC(c1ccccn1)c1ccccc1)C" . "IJHNSHDBIRRJRN-UHFFFAOYSA-N" . "InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3" . "CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C" . "CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C" . "NSTRIRCPWQHTIA-DTRKZRJBSA-N" . "InChI=1S/C45H69N11O12S/c1-6-25(4)38-44(66)51-28(15-16-34(46)57)40(62)52-31(21-35(47)58)41(63)54-32(23-69-18-8-10-37(60)50-30(42(64)55-38)20-26-11-13-27(68-5)14-12-26)45(67)56-17-7-9-33(56)43(65)53-29(19-24(2)3)39(61)49-22-36(48)59/h11-14,24-25,28-33,38H,6-10,15-23H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,62)(H,53,65)(H,54,63)(H,55,64)/t25-,28-,29-,30-,31-,32-,33-,38-/m0/s1" . "O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)Nc1ccc(nn1)c1ccccc1" . "O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)Nc1ccc(nn1)c1ccccc1" . "QTRXIFVSTWXRJJ-UHFFFAOYSA-N" . "InChI=1S/C19H17N7O3/c1-24-17-16(18(28)25(2)19(24)29)26(11-20-17)10-15(27)21-14-9-8-13(22-23-14)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,21,23,27)" . "N#Cc1ccc2c(c1C(F)(F)F)ccn2[C@@H](CS(=O)(=O)C)C" . "N#Cc1ccc2c(c1C(F)(F)F)ccn2[C@@H](CS(=O)(=O)C)C" . "SKDVMPZQJMZEAC-SECBINFHSA-N" . "InChI=1S/C14H13F3N2O2S/c1-9(8-22(2,20)21)19-6-5-11-12(19)4-3-10(7-18)13(11)14(15,16)17/h3-6,9H,8H2,1-2H3/t9-/m1/s1" . "O=C(Nc1ccc(cn1)c1cnccn1)Cc1cnc(c(c1)C)c1ccnc(c1)C" . "O=C(Nc1ccc(cn1)c1cnccn1)Cc1cnc(c(c1)C)c1ccnc(c1)C" . "XXYGTCZJJLTAGH-UHFFFAOYSA-N" . "InChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30)" . "O=C(Nc1ccc(cn1)N1CCN(CC1)C(=O)C)Cc1cnc(c(c1)C)c1ccnc(c1)F" . "O=C(Nc1ccc(cn1)N1CCN(CC1)C(=O)C)Cc1cnc(c(c1)C)c1ccnc(c1)F" . "AXXNRMISICMFNS-UHFFFAOYSA-N" . "InChI=1S/C24H25FN6O2/c1-16-11-18(14-28-24(16)19-5-6-26-21(25)13-19)12-23(33)29-22-4-3-20(15-27-22)31-9-7-30(8-10-31)17(2)32/h3-6,11,13-15H,7-10,12H2,1-2H3,(H,27,29,33)" . "CN(c1scc(n1)c1ccccc1Cl)/N=C/c1ccccc1C(=O)O" . "CN(c1scc(n1)c1ccccc1Cl)/N=C/c1ccccc1C(=O)O" . "MWIQPUXVXAVFRM-KEBDBYFISA-N" . "InChI=1S/C18H14ClN3O2S/c1-22(20-10-12-6-2-3-7-13(12)17(23)24)18-21-16(11-25-18)14-8-4-5-9-15(14)19/h2-11H,1H3,(H,23,24)/b20-10+" . "Clc1ccccc1c1csc(n1)N/N=C/c1ccccc1C(=O)O" . "Clc1ccccc1c1csc(n1)N/N=C/c1ccccc1C(=O)O" . "DDEIFUOYHWEWSS-DJKKODMXSA-N" . "InChI=1S/C17H12ClN3O2S/c18-14-8-4-3-7-13(14)15-10-24-17(20-15)21-19-9-11-5-1-2-6-12(11)16(22)23/h1-10H,(H,20,21)(H,22,23)/b19-9+" . "CCC1(CC)NC(=N)N(C(=O)C1)[C@@H]1CCOc2c1cc(cc2)C(=O)N[C@H]1CC(C)(C)Oc2c1cccc2" . "CCC1(CC)NC(=N)N(C(=O)C1)[C@@H]1CCOc2c1cc(cc2)C(=O)N[C@H]1CC(C)(C)Oc2c1cccc2" . "ZSZSSSHEMYULPX-FCHUYYIVSA-N" . "InChI=1S/C29H36N4O4/c1-5-29(6-2)17-25(34)33(27(30)32-29)22-13-14-36-23-12-11-18(15-20(22)23)26(35)31-21-16-28(3,4)37-24-10-8-7-9-19(21)24/h7-12,15,21-22H,5-6,13-14,16-17H2,1-4H3,(H2,30,32)(H,31,35)/t21-,22+/m0/s1" . "OC1CCN(CC1)CC(=O)Nc1ccc(nc1)Oc1ccc2c(c1)CCC(O2)c1ccccc1" . "OC1CCN(CC1)CC(=O)Nc1ccc(nc1)Oc1ccc2c(c1)CCC(O2)c1ccccc1" . "UPGUBLDTYLMRHO-UHFFFAOYSA-N" . "InChI=1S/C27H29N3O4/c31-22-12-14-30(15-13-22)18-26(32)29-21-7-11-27(28-17-21)33-23-8-10-25-20(16-23)6-9-24(34-25)19-4-2-1-3-5-19/h1-5,7-8,10-11,16-17,22,24,31H,6,9,12-15,18H2,(H,29,32)" . "O=C1CN=C(c2c(N1CN1CCCC1)ccc(c2)[N+](=O)[O-])c1ccccc1" . "O=C1CN=C(c2c(N1CN1CCCC1)ccc(c2)[N+](=O)[O-])c1ccccc1" . "CUVPPONHRDLGFB-UHFFFAOYSA-N" . "InChI=1S/C20H20N4O3/c25-19-13-21-20(15-6-2-1-3-7-15)17-12-16(24(26)27)8-9-18(17)23(19)14-22-10-4-5-11-22/h1-3,6-9,12H,4-5,10-11,13-14H2" . "FC(OCC(=O)N[C@H](c1cc(F)cc(c1COc1cccc2c1nc(C)cc2c1ncnn1C)Cl)C)F" . "FC(OCC(=O)N[C@H](c1cc(F)cc(c1COc1cccc2c1nc(C)cc2c1ncnn1C)Cl)C)F" . "ZTCLCSCHTACERP-AWEZNQCLSA-N" . "InChI=1S/C25H23ClF3N5O3/c1-13-7-18(24-30-12-31-34(24)3)16-5-4-6-21(23(16)32-13)36-10-19-17(8-15(27)9-20(19)26)14(2)33-22(35)11-37-25(28)29/h4-9,12,14,25H,10-11H2,1-3H3,(H,33,35)/t14-/m0/s1" . "C/C(=C/CC12OC(C3C42Oc2cccc(c2C(=O)C4=CC(C1=O)C3)O)(C)C)/COC(=O)c1cccnc1" . "C/C(=C/CC12OC(C3C42Oc2cccc(c2C(=O)C4=CC(C1=O)C3)O)(C)C)/COC(=O)c1cccnc1" . "ZSOFJUIAJLLJBK-CXUHLZMHSA-N" . "InChI=1S/C29H27NO7/c1-16(15-35-26(34)17-6-5-11-30-14-17)9-10-28-25(33)18-12-19-24(32)23-20(31)7-4-8-21(23)36-29(19,28)22(13-18)27(2,3)37-28/h4-9,11-12,14,18,22,31H,10,13,15H2,1-3H3/b16-9+" . "CCCc1nnc2n1c1ccccc1nc2Oc1ccc(cc1)NS(=O)(=O)c1cc(Cl)ccc1OC" . "CCCc1nnc2n1c1ccccc1nc2Oc1ccc(cc1)NS(=O)(=O)c1cc(Cl)ccc1OC" . "JTZBKOVVHITLRP-UHFFFAOYSA-N" . "InChI=1S/C25H22ClN5O4S/c1-3-6-23-28-29-24-25(27-19-7-4-5-8-20(19)31(23)24)35-18-12-10-17(11-13-18)30-36(32,33)22-15-16(26)9-14-21(22)34-2/h4-5,7-15,30H,3,6H2,1-2H3" . "Clc1ccc(c(c1)Cl)C(=O)OCCSc1ccc(c2c1non2)N(=O)=O" . "Clc1ccc(c(c1)Cl)C(=O)OCCSc1ccc(c2c1non2)N(=O)=O" . "HMEXVJMBPXPLKN-UHFFFAOYSA-N" . "InChI=1S/C15H9Cl2N3O5S/c16-8-1-2-9(10(17)7-8)15(21)24-5-6-26-12-4-3-11(20(22)23)13-14(12)19-25-18-13/h1-4,7H,5-6H2" . "NNCCc1ccccc1" . "NNCCc1ccccc1" . "RMUCZJUITONUFY-UHFFFAOYSA-N" . "InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2" . "N#Cc1cccc(c1C)c1nc(N)nc(c1)c1nnn(c1)Cc1cccc(n1)C(O)(C)C" . "N#Cc1cccc(c1C)c1nc(N)nc(c1)c1nnn(c1)Cc1cccc(n1)C(O)(C)C" . "BUXIAWLTBSXYSW-UHFFFAOYSA-N" . "InChI=1S/C23H22N8O/c1-14-15(11-24)6-4-8-17(14)18-10-19(28-22(25)27-18)20-13-31(30-29-20)12-16-7-5-9-21(26-16)23(2,3)32/h4-10,13,32H,12H2,1-3H3,(H2,25,27,28)" . "Nc1nnc(c(n1)c1ccc(cc1)F)c1cc(C)nc(c1)Cl" . "Nc1nnc(c(n1)c1ccc(cc1)F)c1cc(C)nc(c1)Cl" . "NCWQLHHDGDXIJN-UHFFFAOYSA-N" . "InChI=1S/C15H11ClFN5/c1-8-6-10(7-12(16)19-8)14-13(20-15(18)22-21-14)9-2-4-11(17)5-3-9/h2-7H,1H3,(H2,18,20,22)" . "OC[C@@H]1C=C[C@@H](C1)n1cnc2c1nc(N)nc2NC1CC1" . "OC[C@@H]1C=C[C@@H](C1)n1cnc2c1nc(N)nc2NC1CC1" . "MCGSCOLBFJQGHM-SCZZXKLOSA-N" . "InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1" . "Clc1cccc(c1C1=NOC2C1C1CCC2C1)Cl" . "Clc1cccc(c1C1=NOC2C1C1CCC2C1)Cl" . "NBXVMFMMTKYFQP-UHFFFAOYSA-N" . "InChI=1S/C14H13Cl2NO/c15-9-2-1-3-10(16)12(9)13-11-7-4-5-8(6-7)14(11)18-17-13/h1-3,7-8,11,14H,4-6H2" . "CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@H](OC[C@@H](C(=O)O)NC(=O)C[C@H](OCCCCCCCCCC)CCCCCCCCCCC)O[C@@H]([C@H]([C@@H]1OC(=O)C[C@H](OCCCCCCCCCC)CCCCCCCCCCC)OP(=O)(O)O)CO)OCCCCCCCCCC" . "CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@H](OC[C@@H](C(=O)O)NC(=O)C[C@H](OCCCCCCCCCC)CCCCCCCCCCC)O[C@@H]([C@H]([C@@H]1OC(=O)C[C@H](OCCCCCCCCCC)CCCCCCCCCCC)OP(=O)(O)O)CO)OCCCCCCCCCC" . "ICLAYQQKWJGHBV-XJZMHMBSSA-N" . "InChI=1S/C81H157N2O16P/c1-7-13-19-25-31-37-40-46-52-58-69(93-61-55-49-43-34-28-22-16-10-4)64-74(85)82-72(80(88)89)68-96-81-77(83-75(86)65-70(59-53-47-41-38-32-26-20-14-8-2)94-62-56-50-44-35-29-23-17-11-5)79(78(73(67-84)97-81)99-100(90,91)92)98-76(87)66-71(60-54-48-42-39-33-27-21-15-9-3)95-63-57-51-45-36-30-24-18-12-6/h69-73,77-79,81,84H,7-68H2,1-6H3,(H,82,85)(H,83,86)(H,88,89)(H2,90,91,92)/t69-,70-,71-,72+,73-,77-,78-,79-,81-/m1/s1" . "COc1ccc2c(c1)c(CCN1CCOCC1)c(n2C(=O)c1cccc(c1Cl)Cl)C" . "COc1ccc2c(c1)c(CCN1CCOCC1)c(n2C(=O)c1cccc(c1Cl)Cl)C" . "FSFZRNZSZYDVLI-UHFFFAOYSA-N" . "InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3" . "CNCc1ccccc1CN(C(=O)C(C)(C)C)CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2c1cccn2" . "CNCc1ccccc1CN(C(=O)C(C)(C)C)CC(=O)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2c1cccn2" . "CKZLNCWDRQNNEQ-WJOKGBTCSA-N" . "InChI=1S/C31H35N5O3/c1-30(2,3)29(39)36(18-22-9-6-5-8-21(22)17-32-4)19-26(37)34-24-12-11-20-15-31(16-23(20)14-24)25-10-7-13-33-27(25)35-28(31)38/h5-14,32H,15-19H2,1-4H3,(H,34,37)(H,33,35,38)/t31-/m1/s1" . "OC[C@H]1CCCN1Cc1ccc(cc1)COc1cccc(c1)SCc1ccc(cc1)Cl" . "OC[C@H]1CCCN1Cc1ccc(cc1)COc1cccc(c1)SCc1ccc(cc1)Cl" . "MHOHZJCELKBJCZ-XMMPIXPASA-N" . "InChI=1S/C26H28ClNO2S/c27-23-12-10-22(11-13-23)19-31-26-5-1-4-25(15-26)30-18-21-8-6-20(7-9-21)16-28-14-2-3-24(28)17-29/h1,4-13,15,24,29H,2-3,14,16-19H2/t24-/m1/s1" . "OC[C@H]1CCCN1Cc1ccc(cc1)COc1cccc(c1)SCc1ccc(cc1)F" . "OC[C@H]1CCCN1Cc1ccc(cc1)COc1cccc(c1)SCc1ccc(cc1)F" . "IOSLINNLJFQMFF-XMMPIXPASA-N" . "InChI=1S/C26H28FNO2S/c27-23-12-10-22(11-13-23)19-31-26-5-1-4-25(15-26)30-18-21-8-6-20(7-9-21)16-28-14-2-3-24(28)17-29/h1,4-13,15,24,29H,2-3,14,16-19H2/t24-/m1/s1" . "OC[C@H]1CCCN1Cc1ccc(cc1)COc1cccc(c1)OCc1ccc(cc1)Cl" . "OC[C@H]1CCCN1Cc1ccc(cc1)COc1cccc(c1)OCc1ccc(cc1)Cl" . "YYCORJSTUXRKOM-XMMPIXPASA-N" . "InChI=1S/C26H28ClNO3/c27-23-12-10-22(11-13-23)19-31-26-5-1-4-25(15-26)30-18-21-8-6-20(7-9-21)16-28-14-2-3-24(28)17-29/h1,4-13,15,24,29H,2-3,14,16-19H2/t24-/m1/s1" . "OC[C@H]1CCCN1Cc1ccc(cc1)COc1cccc(c1)OCc1ccccc1" . "OC[C@H]1CCCN1Cc1ccc(cc1)COc1cccc(c1)OCc1ccccc1" . "SPXSEZMVRJLHQG-XMMPIXPASA-N" . "InChI=1S/C26H29NO3/c28-18-24-8-5-15-27(24)17-21-11-13-23(14-12-21)20-30-26-10-4-9-25(16-26)29-19-22-6-2-1-3-7-22/h1-4,6-7,9-14,16,24,28H,5,8,15,17-20H2/t24-/m1/s1" . "C=CCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC" . "C=CCN1CCCC1CNC(=O)c1cc2[nH]nnc2cc1OC" . "KSEYRUGYKHXGFW-UHFFFAOYSA-N" . "InChI=1S/C16H21N5O2/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20)" . "NC(=O)C1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)C" . "NC(=O)C1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)C" . "BQDBKDMTIJBJLA-UHFFFAOYSA-N" . "InChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)" . "Fc1c[nH]c(=O)c(n1)C(=O)N" . "Fc1c[nH]c(=O)c(n1)C(=O)N" . "ZCGNOVWYSGBHAU-UHFFFAOYSA-N" . "InChI=1S/C5H4FN3O2/c6-2-1-8-5(11)3(9-2)4(7)10/h1H,(H2,7,10)(H,8,11)" . "Cc1ccccc1N(C1Cc2c(C1)cccc2)CC[C@H]1CCCC[N+]1(C)C" . "Cc1ccccc1N(C1Cc2c(C1)cccc2)CC[C@H]1CCCC[N+]1(C)C" . "MSOHOVLMACCLHW-XMMPIXPASA-N" . "InChI=1S/C25H35N2/c1-20-10-4-7-14-25(20)26(16-15-24-13-8-9-17-27(24,2)3)23-18-21-11-5-6-12-22(21)19-23/h4-7,10-12,14,23-24H,8-9,13,15-19H2,1-3H3/q+1/t24-/m1/s1" . "COC(=O)N[C@@H](C(C)(C)C)C(=O)NN(Cc1ccc(cc1)c1ccccn1)C[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O" . "COC(=O)N[C@@H](C(C)(C)C)C(=O)NN(Cc1ccc(cc1)c1ccccn1)C[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O" . "AXRYRYVKAWYZBR-GASGPIRDSA-N" . "InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1" . "CCO[C@H](COc1ccc(cc1)C(F)(F)F)CSc1ccc(c(c1)C)OCC(=O)O" . "CCO[C@H](COc1ccc(cc1)C(F)(F)F)CSc1ccc(c(c1)C)OCC(=O)O" . "JWHYSEDOYMYMNM-QGZVFWFLSA-N" . "InChI=1S/C21H23F3O5S/c1-3-27-17(11-28-16-6-4-15(5-7-16)21(22,23)24)13-30-18-8-9-19(14(2)10-18)29-12-20(25)26/h4-10,17H,3,11-13H2,1-2H3,(H,25,26)/t17-/m1/s1" . "O=c1[nH]c(SCCN2CCN(CC2)c2ccccn2)nc2c1cccc2" . "O=c1[nH]c(SCCN2CCN(CC2)c2ccccn2)nc2c1cccc2" . "AFXJUCILCGBUNX-UHFFFAOYSA-N" . "InChI=1S/C19H21N5OS/c25-18-15-5-1-2-6-16(15)21-19(22-18)26-14-13-23-9-11-24(12-10-23)17-7-3-4-8-20-17/h1-8H,9-14H2,(H,21,22,25)" . "C=CC(=O)Nc1cc(Nc2nccc(n2)c2cn(c3c2cccc3)C2CC2)c(cc1N(CCN(C)C)C)OC" . "C=CC(=O)Nc1cc(Nc2nccc(n2)c2cn(c3c2cccc3)C2CC2)c(cc1N(CCN(C)C)C)OC" . "DOEOECWDNSEFDN-UHFFFAOYSA-N" . "InChI=1S/C30H35N7O2/c1-6-29(38)32-24-17-25(28(39-5)18-27(24)36(4)16-15-35(2)3)34-30-31-14-13-23(33-30)22-19-37(20-11-12-20)26-10-8-7-9-21(22)26/h6-10,13-14,17-20H,1,11-12,15-16H2,2-5H3,(H,32,38)(H,31,33,34)" . "CSc1ccc(cc1)C(=O)/C=C/c1cc(C)c(c(c1)C)OC(C(=O)O)(C)C" . "CSc1ccc(cc1)C(=O)/C=C/c1cc(C)c(c(c1)C)OC(C(=O)O)(C)C" . "AFLFKFHDSCQHOL-IZZDOVSWSA-N" . "InChI=1S/C22H24O4S/c1-14-12-16(13-15(2)20(14)26-22(3,4)21(24)25)6-11-19(23)17-7-9-18(27-5)10-8-17/h6-13H,1-5H3,(H,24,25)/b11-6+" . "CNC(=O)[C@@]1(N)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O" . "CNC(=O)[C@@]1(N)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O" . "DCAYZGCTSXLIHO-FYCNXDEQSA-N" . "InChI=1S/C27H23N5O3/c1-26-27(28,25(34)29-2)11-18(35-26)31-16-9-5-3-7-13(16)20-21-15(12-30-24(21)33)19-14-8-4-6-10-17(14)32(26)23(19)22(20)31/h3-10,18H,11-12,28H2,1-2H3,(H,29,34)(H,30,33)/t18-,26+,27-/m0/s1" . "OC(=O)C[C@@]1(C)C[C@H](c2cccc(c2)Cl)[C@H](N(C1=O)[C@@H](C(C)C)CS(=O)(=O)C(C)C)c1ccc(cc1)Cl" . "OC(=O)C[C@@]1(C)C[C@H](c2cccc(c2)Cl)[C@H](N(C1=O)[C@@H](C(C)C)CS(=O)(=O)C(C)C)c1ccc(cc1)Cl" . "DRLCSJFKKILATL-YWCVFVGNSA-N" . "InChI=1S/C28H35Cl2NO5S/c1-17(2)24(16-37(35,36)18(3)4)31-26(19-9-11-21(29)12-10-19)23(20-7-6-8-22(30)13-20)14-28(5,27(31)34)15-25(32)33/h6-13,17-18,23-24,26H,14-16H2,1-5H3,(H,32,33)/t23-,24-,26-,28-/m1/s1" . "OC(=O)Cc1ccc(cc1)NCc1ccc(cc1Cl)OCc1c(onc1c1c(Cl)cccc1Cl)C(C)C" . "OC(=O)Cc1ccc(cc1)NCc1ccc(cc1Cl)OCc1c(onc1c1c(Cl)cccc1Cl)C(C)C" . "SPZFHDGEKBUECT-UHFFFAOYSA-N" . "InChI=1S/C28H25Cl3N2O4/c1-16(2)28-21(27(33-37-28)26-22(29)4-3-5-23(26)30)15-36-20-11-8-18(24(31)13-20)14-32-19-9-6-17(7-10-19)12-25(34)35/h3-11,13,16,32H,12,14-15H2,1-2H3,(H,34,35)" . "OC(=O)[C@@H]1N2[C@H](O/C/1=C/CO)CC2=O" . "OC(=O)[C@@H]1N2[C@H](O/C/1=C/CO)CC2=O" . "HZZVJAQRINQKSD-PBFISZAISA-N" . "InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1" . "CN[C@H]1[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@@]3(O[C@@H]2[C@H]([C@H]1O)NC)O" . "CN[C@H]1[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@@]3(O[C@@H]2[C@H]([C@H]1O)NC)O" . "UNFWWIHTNXNPBV-WXKVUWSESA-N" . "InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1" . "OC(=O)C(OCc1nn(c2c1cccc2)Cc1ccccc1)(C)C" . "OC(=O)C(OCc1nn(c2c1cccc2)Cc1ccccc1)(C)C" . "MTHORRSSURHQPZ-UHFFFAOYSA-N" . "InChI=1S/C19H20N2O3/c1-19(2,18(22)23)24-13-16-15-10-6-7-11-17(15)21(20-16)12-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,22,23)" . "ONC(=O)/C=C/c1cc(cn1C)/C=C/C(=O)c1cccc(c1)F" . "ONC(=O)/C=C/c1cc(cn1C)/C=C/C(=O)c1cccc(c1)F" . "QRDAPCMJAOQZSU-KQQUZDAGSA-N" . "InChI=1S/C17H15FN2O3/c1-20-11-12(9-15(20)6-8-17(22)19-23)5-7-16(21)13-3-2-4-14(18)10-13/h2-11,23H,1H3,(H,19,22)/b7-5+,8-6+" . "ONC(=O)c1cnc(nc1)NC1(CC1)c1ccccc1" . "ONC(=O)c1cnc(nc1)NC1(CC1)c1ccccc1" . "LIIWIMDSZVNYHY-UHFFFAOYSA-N" . "InChI=1S/C14H14N4O2/c19-12(18-20)10-8-15-13(16-9-10)17-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9,20H,6-7H2,(H,18,19)(H,15,16,17)" . "ONC(=O)c1ccc(c(c1)F)CN(CC12CC3CC(C2)CC(C1)C3)C" . "ONC(=O)c1ccc(c(c1)F)CN(CC12CC3CC(C2)CC(C1)C3)C" . "IGZQZELTOHAHNW-UHFFFAOYSA-N" . "InChI=1S/C20H27FN2O2/c1-23(11-17-3-2-16(7-18(17)21)19(24)22-25)12-20-8-13-4-14(9-20)6-15(5-13)10-20/h2-3,7,13-15,25H,4-6,8-12H2,1H3,(H,22,24)" . "ONC(=O)/C=C/c1ccc(cc1)CN(CC12CC3CC(C2)CC(C1)C3)C" . "ONC(=O)/C=C/c1ccc(cc1)CN(CC12CC3CC(C2)CC(C1)C3)C" . "WNIDBXBLQFPAJA-VOTSOKGWSA-N" . "InChI=1S/C22H30N2O2/c1-24(14-17-4-2-16(3-5-17)6-7-21(25)23-26)15-22-11-18-8-19(12-22)10-20(9-18)13-22/h2-7,18-20,26H,8-15H2,1H3,(H,23,25)/b7-6+" . "CC([C@H](C(=O)N1CCC2(CC1)N(c1ccc3c(c1)cn[nH]3)C(=O)N(C2=O)C)NC(=O)c1cc(ccc1F)C(F)(F)F)C" . "CC([C@H](C(=O)N1CCC2(CC1)N(c1ccc3c(c1)cn[nH]3)C(=O)N(C2=O)C)NC(=O)c1cc(ccc1F)C(F)(F)F)C" . "CDSKRHGFXHZEQL-JOCHJYFZSA-N" . "InChI=1S/C28H28F4N6O4/c1-15(2)22(34-23(39)19-13-17(28(30,31)32)4-6-20(19)29)24(40)37-10-8-27(9-11-37)25(41)36(3)26(42)38(27)18-5-7-21-16(12-18)14-33-35-21/h4-7,12-15,22H,8-11H2,1-3H3,(H,33,35)(H,34,39)/t22-/m1/s1" . "COc1cc(ccc1Nc1ncc2c(n1)n(C)c1ccccc1c(=O)n2CC(F)(F)F)N1CCN(CC1)C" . "COc1cc(ccc1Nc1ncc2c(n1)n(C)c1ccccc1c(=O)n2CC(F)(F)F)N1CCN(CC1)C" . "OQFCHSFVWSLDAO-UHFFFAOYSA-N" . "InChI=1S/C26H28F3N7O2/c1-33-10-12-35(13-11-33)17-8-9-19(22(14-17)38-3)31-25-30-15-21-23(32-25)34(2)20-7-5-4-6-18(20)24(37)36(21)16-26(27,28)29/h4-9,14-15H,10-13,16H2,1-3H3,(H,30,31,32)" . "COc1cnc(c2c1c(cn2COP(=O)(O)O)C(=O)C(=O)N1CCN(CC1)C(=O)c1ccccc1)n1cnc(n1)C" . "COc1cnc(c2c1c(cn2COP(=O)(O)O)C(=O)C(=O)N1CCN(CC1)C(=O)c1ccccc1)n1cnc(n1)C" . "SWMDAPWAQQTBOG-UHFFFAOYSA-N" . "InChI=1S/C25H26N7O8P/c1-16-27-14-32(28-16)23-21-20(19(39-2)12-26-23)18(13-31(21)15-40-41(36,37)38)22(33)25(35)30-10-8-29(9-11-30)24(34)17-6-4-3-5-7-17/h3-7,12-14H,8-11,15H2,1-2H3,(H2,36,37,38)" . "O=C1Nc2ncccc2C2(O1)CCN(CC2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1CCN(CC1)c1ccncc1)CC1CCNCC1)Cc1cc(C)c2c(c1)cn[nH]2" . "O=C1Nc2ncccc2C2(O1)CCN(CC2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1CCN(CC1)c1ccncc1)CC1CCNCC1)Cc1cc(C)c2c(c1)cn[nH]2" . "LIPVCPUZWNTQHV-SAIUNTKASA-N" . "InChI=1S/C40H49N11O5/c1-26-21-28(22-29-25-44-48-34(26)29)24-32(46-38(54)51-15-8-40(9-16-51)31-3-2-10-43-35(31)47-39(55)56-40)36(52)45-33(23-27-4-11-41-12-5-27)37(53)50-19-17-49(18-20-50)30-6-13-42-14-7-30/h2-3,6-7,10,13-14,21-22,25,27,32-33,41H,4-5,8-9,11-12,15-20,23-24H2,1H3,(H,44,48)(H,45,52)(H,46,54)(H,43,47,55)/t32-,33+/m1/s1" . "CCP(=O)(c1ccc2c(c1)nc(o2)c1ccc(cc1)F)OC" . "CCP(=O)(c1ccc2c(c1)nc(o2)c1ccc(cc1)F)OC" . "MNCZMYLRBLYUPR-UHFFFAOYSA-N" . "InChI=1S/C16H15FNO3P/c1-3-22(19,20-2)13-8-9-15-14(10-13)18-16(21-15)11-4-6-12(17)7-5-11/h4-10H,3H2,1-2H3" . "CCP(=O)(c1ccc2c(c1)nc(o2)c1cccc(c1)C(F)(F)F)OC" . "CCP(=O)(c1ccc2c(c1)nc(o2)c1cccc(c1)C(F)(F)F)OC" . "GIJPBJLOHMBSSM-UHFFFAOYSA-N" . "InChI=1S/C17H15F3NO3P/c1-3-25(22,23-2)13-7-8-15-14(10-13)21-16(24-15)11-5-4-6-12(9-11)17(18,19)20/h4-10H,3H2,1-2H3" . "CCS(=O)(=O)c1ccc2c(c1)nc(o2)c1ccc2c(c1)cccc2" . "CCS(=O)(=O)c1ccc2c(c1)nc(o2)c1ccc2c(c1)cccc2" . "KSGCNXAZROJSNW-UHFFFAOYSA-N" . "InChI=1S/C19H15NO3S/c1-2-24(21,22)16-9-10-18-17(12-16)20-19(23-18)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2H2,1H3" . "CCN(Cc1cccc(c1OC)c1cc2c([nH]1)nccc2c1ccc(c(c1)C(C)C)C(=O)O)CC" . "CCN(Cc1cccc(c1OC)c1cc2c([nH]1)nccc2c1ccc(c(c1)C(C)C)C(=O)O)CC" . "LVVFYPXMXIDWRP-UHFFFAOYSA-N" . "InChI=1S/C29H33N3O3/c1-6-32(7-2)17-20-9-8-10-23(27(20)35-5)26-16-25-21(13-14-30-28(25)31-26)19-11-12-22(29(33)34)24(15-19)18(3)4/h8-16,18H,6-7,17H2,1-5H3,(H,30,31)(H,33,34)" . "CN(Cc1ccc2c(n1)c(O)c(cc2Cl)Cl)C" . "CN(Cc1ccc2c(n1)c(O)c(cc2Cl)Cl)C" . "YZPOQCQXOSEMAZ-UHFFFAOYSA-N" . "InChI=1S/C12H12Cl2N2O/c1-16(2)6-7-3-4-8-9(13)5-10(14)12(17)11(8)15-7/h3-5,17H,6H2,1-2H3" . "CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](OC(C)(C)C)C)NC(=O)OCc1ccccc1)CC(C)C)C[C@@H]1CCNC1=O" . "CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](OC(C)(C)C)C)NC(=O)OCc1ccccc1)CC(C)C)C[C@@H]1CCNC1=O" . "GENYQFMDDNZIRG-UCWBBBRQSA-N" . "InChI=1S/C33H52N4O8/c1-8-43-27(38)15-14-25(19-24-16-17-34-29(24)39)35-30(40)26(18-21(2)3)36-31(41)28(22(4)45-33(5,6)7)37-32(42)44-20-23-12-10-9-11-13-23/h9-13,21-22,24-26,28H,8,14-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/t22-,24+,25-,26+,28+/m1/s1" . "OC[C@H]([C@@H](NC(=O)[C@@H](NC(=O)c1[nH]c2c(c1)c(OC)ccc2)CC(C)C)C[C@@H]1CCNC1=O)O" . "OC[C@H]([C@@H](NC(=O)[C@@H](NC(=O)c1[nH]c2c(c1)c(OC)ccc2)CC(C)C)C[C@@H]1CCNC1=O)O" . "FDQSUXUTXIGUIA-PRIDNEQBSA-N" . "InChI=1S/C24H34N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,20,26,29-30H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-,20+/m0/s1" . "CN1CCN(CC1)C(=O)C1[C@@H]2CC[C@H](C1C(=O)O)O2" . "CN1CCN(CC1)C(=O)C1[C@@H]2CC[C@H](C1C(=O)O)O2" . "JUQMLSGOTNKJKI-IZUQBHJASA-N" . "InChI=1S/C13H20N2O4/c1-14-4-6-15(7-5-14)12(16)10-8-2-3-9(19-8)11(10)13(17)18/h8-11H,2-7H2,1H3,(H,17,18)/t8-,9+,10?,11?/m0/s1" . "CC[Si](O[C@@H]1CCC[C@@H]2[C@@H]1C[C@@H](C[C@@]2(C)C(=O)O)O[Si](C(C)(C)C)(C)C)(CC)CC" . "CC[Si](O[C@@H]1CCC[C@@H]2[C@@H]1C[C@@H](C[C@@]2(C)C(=O)O)O[Si](C(C)(C)C)(C)C)(CC)CC" . "WYYKYBVYKSTHEV-RSBOXOOMSA-N" . "InChI=1S/C24H48O4Si2/c1-10-30(11-2,12-3)28-21-15-13-14-20-19(21)16-18(17-24(20,7)22(25)26)27-29(8,9)23(4,5)6/h18-21H,10-17H2,1-9H3,(H,25,26)/t18-,19-,20+,21+,24+/m0/s1" . "O=C([C@@H](NC(=O)c1ccc(s1)CNc1cc(Cl)cnc1C)CC1CCCC1)NC1CC1" . "O=C([C@@H](NC(=O)c1ccc(s1)CNc1cc(Cl)cnc1C)CC1CCCC1)NC1CC1" . "IVDUVEGCMXCMSO-FQEVSTJZSA-N" . "InChI=1S/C23H29ClN4O2S/c1-14-19(11-16(24)12-25-14)26-13-18-8-9-21(31-18)23(30)28-20(10-15-4-2-3-5-15)22(29)27-17-6-7-17/h8-9,11-12,15,17,20,26H,2-7,10,13H2,1H3,(H,27,29)(H,28,30)/t20-/m0/s1" . "CC[C@H]1CN2CCc3c([C@@H]2C[C@@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC" . "CC[C@H]1CN2CCc3c([C@@H]2C[C@@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC" . "AUVVAXYIELKVAI-CKBKHPSWSA-N" . "InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1" . "OC(=O)c1nc(ccc1c1cnn(c1C)CC12CC3CC(C2)CC(C1)C3)N1CCc2c(C1)c(ccc2)C(=O)Nc1nc2c(s1)cccc2" . "OC(=O)c1nc(ccc1c1cnn(c1C)CC12CC3CC(C2)CC(C1)C3)N1CCc2c(C1)c(ccc2)C(=O)Nc1nc2c(s1)cccc2" . "QCQQONWEDCOTBV-UHFFFAOYSA-N" . "InChI=1S/C38H38N6O3S/c1-22-29(19-39-44(22)21-38-16-23-13-24(17-38)15-25(14-23)18-38)27-9-10-33(41-34(27)36(46)47)43-12-11-26-5-4-6-28(30(26)20-43)35(45)42-37-40-31-7-2-3-8-32(31)48-37/h2-10,19,23-25H,11-18,20-21H2,1H3,(H,46,47)(H,40,42,45)" . "OC[C@H]1O[C@H](C([C@@H]1O)(F)F)N1CC[C@H](NC1=O)O" . "OC[C@H]1O[C@H](C([C@@H]1O)(F)F)N1CC[C@H](NC1=O)O" . "VUDZSIYXZUYWSC-DBRKOABJSA-N" . "InChI=1S/C9H14F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h4-7,14-16H,1-3H2,(H,12,17)/t4-,5-,6-,7-/m1/s1" . "Fc1ccc(cc1)Cn1c(N[C@@H](c2ccc(cc2)Cl)C)nc2c(c1=O)cnn2C(C)(C)C" . "Fc1ccc(cc1)Cn1c(N[C@@H](c2ccc(cc2)Cl)C)nc2c(c1=O)cnn2C(C)(C)C" . "BOOYHBPHFVNWNH-OAHLLOKOSA-N" . "InChI=1S/C24H25ClFN5O/c1-15(17-7-9-18(25)10-8-17)28-23-29-21-20(13-27-31(21)24(2,3)4)22(32)30(23)14-16-5-11-19(26)12-6-16/h5-13,15H,14H2,1-4H3,(H,28,29)/t15-/m1/s1" . "CO[C@]1(CNCC1)c1cccc(c1F)F" . "CO[C@]1(CNCC1)c1cccc(c1F)F" . "LJNFYMMXCXGFCP-LLVKDONJSA-N" . "InChI=1S/C11H13F2NO/c1-15-11(5-6-14-7-11)8-3-2-4-9(12)10(8)13/h2-4,14H,5-7H2,1H3/t11-/m1/s1" . "O=C(Nc1cc(nn1C)C(C)(C)C)Nc1ccc(cc1)Oc1ccncc1" . "O=C(Nc1cc(nn1C)C(C)(C)C)Nc1ccc(cc1)Oc1ccncc1" . "MHSLDASSAFCCDO-UHFFFAOYSA-N" . "InChI=1S/C20H23N5O2/c1-20(2,3)17-13-18(25(4)24-17)23-19(26)22-14-5-7-15(8-6-14)27-16-9-11-21-12-10-16/h5-13H,1-4H3,(H2,22,23,26)" . "CN(CCNC(=O)c1cc2c(cc1Oc1ccc(cc1F)F)cnn2CC(C)C)C" . "CN(CCNC(=O)c1cc2c(cc1Oc1ccc(cc1F)F)cnn2CC(C)C)C" . "IFGWYHGYNVGVRB-UHFFFAOYSA-N" . "InChI=1S/C22H26F2N4O2/c1-14(2)13-28-19-11-17(22(29)25-7-8-27(3)4)21(9-15(19)12-26-28)30-20-6-5-16(23)10-18(20)24/h5-6,9-12,14H,7-8,13H2,1-4H3,(H,25,29)" . "CCCCCc1cc(O)c(c(c1)O)C/C=C(/CCC=C(C)C)/C" . "CCCCCc1cc(O)c(c(c1)O)C/C=C(/CCC=C(C)C)/C" . "QXACEHWTBCFNSA-SFQUDFHCSA-N" . "InChI=1S/C21H32O2/c1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b17-12+" . "CCCCCc1cc2OC(C)(CCC=C(C)C)C=Cc2c(c1)O" . "CCCCCc1cc2OC(C)(CCC=C(C)C)C=Cc2c(c1)O" . "UVOLYTDXHDXWJU-UHFFFAOYSA-N" . "InChI=1S/C21H30O2/c1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-20(18)15-17)12-8-9-16(2)3/h9,11,13-15,22H,5-8,10,12H2,1-4H3" . "CCCc1cc(O)c(c(c1)O)[C@H]1C=C(C)CC[C@@H]1C(=C)C" . "CCCc1cc(O)c(c(c1)O)[C@H]1C=C(C)CC[C@@H]1C(=C)C" . "REOZWEGFPHTFEI-CVEARBPZSA-N" . "InChI=1S/C19H26O2/c1-5-6-14-10-17(20)19(18(21)11-14)16-9-13(4)7-8-15(16)12(2)3/h9-11,15-16,20-21H,2,5-8H2,1,3-4H3/t15-,16+/m1/s1" . "CCCCCc1cc2OC(C)(C)[C@H]3[C@H](c2c(c1C(=O)O)O)C=C(CC3)C" . "CCCCCc1cc2OC(C)(C)[C@H]3[C@H](c2c(c1C(=O)O)O)C=C(CC3)C" . "UCONUSSAWGCZMV-HZPDHXFCSA-N" . "InChI=1S/C22H30O4/c1-5-6-7-8-14-12-17-19(20(23)18(14)21(24)25)15-11-13(2)9-10-16(15)22(3,4)26-17/h11-12,15-16,23H,5-10H2,1-4H3,(H,24,25)/t15-,16-/m1/s1" . "O[C@@H]([C@@H](NC(=O)c1cccc(c1C)O)CSc1ccccc1)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C" . "O[C@@H]([C@@H](NC(=O)c1cccc(c1C)O)CSc1ccccc1)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C" . "QAGYKUNXZHXKMR-HKWSIXNMSA-N" . "InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1" . "CCOC(=O)c1c(CSc2ccccc2)n(c2c1c(CN(C)C)c(O)c(c2)Br)C" . "CCOC(=O)c1c(CSc2ccccc2)n(c2c1c(CN(C)C)c(O)c(c2)Br)C" . "KCFYEAOKVJSACF-UHFFFAOYSA-N" . "InChI=1S/C22H25BrN2O3S/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3" . "CC[C@H]([C@H]1O[C@]2(C=C[C@H]([C@@]3(O2)CC[C@@](O3)(C)[C@H]2CC[C@]([C@@H](O2)C)(O)CC)O)[C@@H](C[C@@H]1C)C)C(=O)[C@H]([C@H]([C@@H]([C@@H]1O[C@H](CC[C@@H]1C)[C@H](C(=O)O)CC)C)O)C" . "CC[C@H]([C@H]1O[C@]2(C=C[C@H]([C@@]3(O2)CC[C@@](O3)(C)[C@H]2CC[C@]([C@@H](O2)C)(O)CC)O)[C@@H](C[C@@H]1C)C)C(=O)[C@H]([C@H]([C@@H]([C@@H]1O[C@H](CC[C@@H]1C)[C@H](C(=O)O)CC)C)O)C" . "KQXDHUJYNAXLNZ-XQSDOZFQSA-N" . "InChI=1S/C42H70O11/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47)/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-/m0/s1" . "OC(=NC(=N)O)Cc1ccccc1" . "OC(=NC(=N)O)Cc1ccccc1" . "XPFRXWCVYUEORT-UHFFFAOYSA-N" . "InChI=1S/C9H10N2O2/c10-9(13)11-8(12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12,13)" . "CCC(=O)Nc1cccc(c1)Oc1nc(ncc1I)Nc1ccc(cc1OC)N1CCN(CC1)C" . "CCC(=O)Nc1cccc(c1)Oc1nc(ncc1I)Nc1ccc(cc1OC)N1CCN(CC1)C" . "KQMWYEJQANQTDM-UHFFFAOYSA-N" . "InChI=1S/C25H29IN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h5-9,14-16H,4,10-13H2,1-3H3,(H,28,33)(H,27,29,30)" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)CCCN=C(N)N)CCCN=C(N)N)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(Cc1ccccc1)N " . "CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)O" . "SGGIVBFIASEYOE-LBBUGJAGSA-N" . "InChI=1S/C45H71N15O9S/c1-70-23-19-33(59-42(67)35(25-29-14-6-3-7-15-29)56-37(62)27-54-36(61)26-55-38(63)30(47)24-28-12-4-2-5-13-28)41(66)58-31(17-10-21-52-44(48)49)39(64)57-32(18-11-22-53-45(50)51)40(65)60-34(43(68)69)16-8-9-20-46/h2-7,12-15,30-35H,8-11,16-27,46-47H2,1H3,(H,54,61)(H,55,63)(H,56,62)(H,57,64)(H,58,66)(H,59,67)(H,60,65)(H,68,69)(H4,48,49,52)(H4,50,51,53)/t30-,31-,32-,33-,34-,35-/m0/s1" . "Clc1cccc(c1)NC(=O)C1CCN(CC1)C(=O)c1ccc2c(c1)cccc2" . "Clc1cccc(c1)NC(=O)C1CCN(CC1)C(=O)c1ccc2c(c1)cccc2" . "PBXCPFNNNZUANE-UHFFFAOYSA-N" . "InChI=1S/C23H21ClN2O2/c24-20-6-3-7-21(15-20)25-22(27)17-10-12-26(13-11-17)23(28)19-9-8-16-4-1-2-5-18(16)14-19/h1-9,14-15,17H,10-13H2,(H,25,27)" . "O=C(c1ccc2c(c1)cccc2)N/N=C/c1ccc(cc1)[N+](=O)[O-]" . "O=C(c1ccc2c(c1)cccc2)N/N=C/c1ccc(cc1)[N+](=O)[O-]" . "RUQCGNRXDVIDAJ-XDHOZWIPSA-N" . "InChI=1S/C18H13N3O3/c22-18(16-8-7-14-3-1-2-4-15(14)11-16)20-19-12-13-5-9-17(10-6-13)21(23)24/h1-12H,(H,20,22)/b19-12+" . "CCOc1ccc(nc1)c1nnc(n1c1ccccc1F)[C@@H]1C[C@H](C1)NC(=O)c1ccccn1" . "CCOc1ccc(nc1)c1nnc(n1c1ccccc1F)[C@@H]1C[C@H](C1)NC(=O)c1ccccn1" . "ZBRBBDJXHBEGHX-QAQDUYKDSA-N" . "InChI=1S/C25H23FN6O2/c1-2-34-18-10-11-20(28-15-18)24-31-30-23(32(24)22-9-4-3-7-19(22)26)16-13-17(14-16)29-25(33)21-8-5-6-12-27-21/h3-12,15-17H,2,13-14H2,1H3,(H,29,33)/t16-,17-" . "Cn1c(=O)n(C)c(=O)c2c1nc1n2CCCN1CCc1c[nH]c2c1cccc2" . "Cn1c(=O)n(C)c(=O)c2c1nc1n2CCCN1CCc1c[nH]c2c1cccc2" . "PUJKERUFRDZALE-UHFFFAOYSA-N" . "InChI=1S/C20H22N6O2/c1-23-17-16(18(27)24(2)20(23)28)26-10-5-9-25(19(26)22-17)11-8-13-12-21-15-7-4-3-6-14(13)15/h3-4,6-7,12,21H,5,8-11H2,1-2H3" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)Cc1c[nH]c2c1cccc2)Cc1ccccc1)CCC(=O)O)CCC(=O)N)CCCNC(=N)N)CC(C)C)C(C)C)CCCNC(=N)N)CCCCN)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)N)CCCNC(=N)N)CCCCN)CCCCN)CCCNC(=N)N)CCCNC(=N)N)CCC(=O)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CO)CCCNC(=N)N)CCC(=O)O)CCC(=O)O)CCSC)CC(C)C)CCCNC(=N)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)Cc1c[nH]c2c1cccc2)Cc1ccccc1)CCC(=O)O)CCC(=O)N)CCCNC(=N)N)CC(C)C)C(C)C)CCCNC(=N)N)CCCCN)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)N)CCCNC(=N)N)CCCCN)CCCCN)CCCNC(=N)N)CCCNC(=N)N)CCC(=O)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CO)CCCNC(=N)N)CCC(=O)O)CCC(=O)O)CCSC)CC(C)C)CCCNC(=N)N" . "UDMRTOJWVGSXRR-OMVNHVILSA-N" . "InChI=1S/C190H323N71O45S/c1-100(2)89-132(170(295)244-116(43-19-23-74-193)155(280)243-125(54-34-85-227-190(216)217)169(294)258-148(103(7)8)177(302)256-133(90-101(3)4)171(296)245-122(51-31-82-224-187(210)211)160(285)248-128(62-67-141(197)265)166(291)249-129(64-69-146(271)272)167(292)254-134(93-105-37-13-12-14-38-105)172(297)255-135(173(298)259-149(104(9)10)180(305)306)94-107-95-228-111-40-16-15-39-109(107)111)253-163(288)117(44-20-24-75-194)238-161(286)124(53-33-84-226-189(214)215)251-176(301)139-56-36-87-261(139)179(304)136(91-102(5)6)257-168(293)130(71-88-307-11)250-164(289)126(63-68-145(269)270)233-143(267)98-231-175(300)138-55-35-86-260(138)178(303)131(65-70-147(273)274)252-162(287)123(52-32-83-225-188(212)213)246-174(299)137(99-262)234-144(268)97-230-151(276)112(45-25-76-218-181(198)199)235-156(281)118(47-27-78-220-183(202)203)240-158(283)120(49-29-80-222-185(206)207)242-165(290)127(61-66-140(196)264)247-159(284)121(50-30-81-223-186(208)209)241-157(282)119(48-28-79-221-184(204)205)239-154(279)115(42-18-22-73-192)237-153(278)114(41-17-21-72-191)236-152(277)113(46-26-77-219-182(200)201)232-142(266)96-229-150(275)110(195)92-106-57-59-108(263)60-58-106/h12-16,37-40,57-60,95,100-104,110,112-139,148-149,228,262-263H,17-36,41-56,61-94,96-99,191-195H2,1-11H3,(H2,196,264)(H2,197,265)(H,229,275)(H,230,276)(H,231,300)(H,232,266)(H,233,267)(H,234,268)(H,235,281)(H,236,277)(H,237,278)(H,238,286)(H,239,279)(H,240,283)(H,241,282)(H,242,290)(H,243,280)(H,244,295)(H,245,296)(H,246,299)(H,247,284)(H,248,285)(H,249,291)(H,250,289)(H,251,301)(H,252,287)(H,253,288)(H,254,292)(H,255,297)(H,256,302)(H,257,293)(H,258,294)(H,259,298)(H,269,270)(H,271,272)(H,273,274)(H,305,306)(H4,198,199,218)(H4,200,201,219)(H4,202,203,220)(H4,204,205,221)(H4,206,207,222)(H4,208,209,223)(H4,210,211,224)(H4,212,213,225)(H4,214,215,226)(H4,216,217,227)/t110-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,148-,149-/m0/s1" . "Nc1ccc(c(c1)C(=O)N[C@@H](c1cccc2c1cccc2)C)C" . "Nc1ccc(c(c1)C(=O)N[C@@H](c1cccc2c1cccc2)C)C" . "UVERBUNNCOKGNZ-CQSZACIVSA-N" . "InChI=1S/C20H20N2O/c1-13-10-11-16(21)12-19(13)20(23)22-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1" . "O[C@@H]1CC[C@H](CC1)NC(=O)CCCCCc1ccccc1" . "O[C@@H]1CC[C@H](CC1)NC(=O)CCCCCc1ccccc1" . "SUKXKLNDBLNTSW-QAQDUYKDSA-N" . "InChI=1S/C18H27NO2/c20-17-13-11-16(12-14-17)19-18(21)10-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,16-17,20H,2,5-6,9-14H2,(H,19,21)/t16-,17-" . "COc1cc2nccc(c2cc1S(=O)(=O)C(C)(C)C)Nc1n[nH]cc1C" . "COc1cc2nccc(c2cc1S(=O)(=O)C(C)(C)C)Nc1n[nH]cc1C" . "WCPMUQAUSFXFJE-UHFFFAOYSA-N" . "InChI=1S/C18H22N4O3S/c1-11-10-20-22-17(11)21-13-6-7-19-14-9-15(25-5)16(8-12(13)14)26(23,24)18(2,3)4/h6-10H,1-5H3,(H2,19,20,21,22)" . "Brc1ccc2c(c1)c(N)nc(n2)Nc1ccccc1" . "Brc1ccc2c(c1)c(N)nc(n2)Nc1ccccc1" . "MPGNABXYXOGUGH-UHFFFAOYSA-N" . "InChI=1S/C14H11BrN4/c15-9-6-7-12-11(8-9)13(16)19-14(18-12)17-10-4-2-1-3-5-10/h1-8H,(H3,16,17,18,19)" . "C[C@@H](CC(=O)c1c(CCCCCCc2cccc(c2)Cl)n(c2c1cc(Cl)cc2)C)CC(=O)O" . "C[C@@H](CC(=O)c1c(CCCCCCc2cccc(c2)Cl)n(c2c1cc(Cl)cc2)C)CC(=O)O" . "XGNFPJZMWOIDAH-SFHVURJKSA-N" . "InChI=1S/C27H31Cl2NO3/c1-18(15-26(32)33)14-25(31)27-22-17-21(29)12-13-23(22)30(2)24(27)11-6-4-3-5-8-19-9-7-10-20(28)16-19/h7,9-10,12-13,16-18H,3-6,8,11,14-15H2,1-2H3,(H,32,33)/t18-/m0/s1" . "CNC1CN(C1)c1cc(N)nc(n1)CC(C)C" . "CNC1CN(C1)c1cc(N)nc(n1)CC(C)C" . "QRBVUFXEMHNIDB-UHFFFAOYSA-N" . "InChI=1S/C12H21N5/c1-8(2)4-11-15-10(13)5-12(16-11)17-6-9(7-17)14-3/h5,8-9,14H,4,6-7H2,1-3H3,(H2,13,15,16)" . "O=C[C@@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](NC(=O)c1cc2c([nH]1)cccc2)Cc1cccc(c1)F" . "O=C[C@@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](NC(=O)c1cc2c([nH]1)cccc2)Cc1cccc(c1)F" . "HCRBVFBQANEDDM-DSKINZAPSA-N" . "InChI=1S/C25H25FN4O4/c26-18-6-3-4-15(10-18)11-21(24(33)28-19(14-31)12-17-8-9-27-23(17)32)30-25(34)22-13-16-5-1-2-7-20(16)29-22/h1-7,10,13-14,17,19,21,29H,8-9,11-12H2,(H,27,32)(H,28,33)(H,30,34)/t17-,19+,21-/m0/s1" . "O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](NC(=O)c1cc2c([nH]1)cccc2)CC1CCCCC1" . "O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](NC(=O)c1cc2c([nH]1)cccc2)CC1CCCCC1" . "HPKJGHVHQWJOOT-ZJOUEHCJSA-N" . "InChI=1S/C25H32N4O4/c30-15-19(13-18-10-11-26-23(18)31)27-24(32)21(12-16-6-2-1-3-7-16)29-25(33)22-14-17-8-4-5-9-20(17)28-22/h4-5,8-9,14-16,18-19,21,28H,1-3,6-7,10-13H2,(H,26,31)(H,27,32)(H,29,33)/t18-,19-,21-/m0/s1" . "Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl" . "Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl" . "ACGUYXCXAPNIKK-UHFFFAOYSA-N" . "InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2" . "O=C(NC12CC3CC(C2)CC(C1)C3)Nc1ccc2c(c1)nc(c(n2)c1cccs1)c1cccs1" . "O=C(NC12CC3CC(C2)CC(C1)C3)Nc1ccc2c(c1)nc(c(n2)c1cccs1)c1cccs1" . "SCPZMCCNFFWXMO-UHFFFAOYSA-N" . "InChI=1S/C27H26N4OS2/c32-26(31-27-13-16-9-17(14-27)11-18(10-16)15-27)28-19-5-6-20-21(12-19)30-25(23-4-2-8-34-23)24(29-20)22-3-1-7-33-22/h1-8,12,16-18H,9-11,13-15H2,(H2,28,31,32)" . "COc1ccc(cc1)N1N=C(C(C1=O)C(=O)Nc1cccc(c1)C(F)(F)C)C" . "COc1ccc(cc1)N1N=C(C(C1=O)C(=O)Nc1cccc(c1)C(F)(F)C)C" . "FEYNFHSRETUBEM-UHFFFAOYSA-N" . "InChI=1S/C20H19F2N3O3/c1-12-17(18(26)23-14-6-4-5-13(11-14)20(2,21)22)19(27)25(24-12)15-7-9-16(28-3)10-8-15/h4-11,17H,1-3H3,(H,23,26)" . "CC[C@@H](Nc1nc(NCc2ccc(cc2)c2ccccn2)c2c(n1)n(cn2)C(C)C)CO" . "CC[C@@H](Nc1nc(NCc2ccc(cc2)c2ccccn2)c2c(n1)n(cn2)C(C)C)CO" . "HOCBJBNQIQQQGT-LJQANCHMSA-N" . "InChI=1S/C24H29N7O/c1-4-19(14-32)28-24-29-22(21-23(30-24)31(15-27-21)16(2)3)26-13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,32H,4,13-14H2,1-3H3,(H2,26,28,29,30)/t19-/m1/s1" . "CC[C@H](Nc1nc(NCc2ccc(cc2)c2ccccn2)c2c(n1)n(cn2)C(C)C)CO" . "CC[C@H](Nc1nc(NCc2ccc(cc2)c2ccccn2)c2c(n1)n(cn2)C(C)C)CO" . "HOCBJBNQIQQQGT-IBGZPJMESA-N" . "InChI=1S/C24H29N7O/c1-4-19(14-32)28-24-29-22(21-23(30-24)31(15-27-21)16(2)3)26-13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,32H,4,13-14H2,1-3H3,(H2,26,28,29,30)/t19-/m0/s1" . "CO/[N+](=C/C(=O)N/C=C/C(=O)N)/[O-]" . "CO/[N+](=C/C(=O)N/C=C/C(=O)N)/[O-]" . "WWUHEQGWFDDSQX-DSXPNFDZSA-N" . "InChI=1S/C6H9N3O4/c1-13-9(12)4-6(11)8-3-2-5(7)10/h2-4H,1H3,(H2,7,10)(H,8,11)/b3-2+,9-4+" . "C=C/C=C(/CCC1C/C=C/C=C(/C)/C(CCC/C=C/C=C/C=C/CC(C(=C)CC(=O)O1)C)OP(=O)(O)O)/C" . "C=C/C=C(/CCC1C/C=C/C=C(/C)/C(CCC/C=C/C=C/C=C/CC(C(=C)CC(=O)O1)C)OP(=O)(O)O)/C" . "ZUWUQYGHRURWCL-XUIVTPDHSA-N" . "InChI=1S/C31H45O6P/c1-6-17-25(2)22-23-29-20-16-15-19-27(4)30(37-38(33,34)35)21-14-12-10-8-7-9-11-13-18-26(3)28(5)24-31(32)36-29/h6-11,13,15-17,19,26,29-30H,1,5,12,14,18,20-24H2,2-4H3,(H2,33,34,35)/b9-7-,10-8-,13-11+,16-15+,25-17+,27-19+" . "CCn1c2ccc(cc2c2c1cccc2)Nc1ccnc(n1)NCCCN1CCOCC1" . "CCn1c2ccc(cc2c2c1cccc2)Nc1ccnc(n1)NCCCN1CCOCC1" . "AFTZZRFCMOAFCR-UHFFFAOYSA-N" . "InChI=1S/C25H30N6O/c1-2-31-22-7-4-3-6-20(22)21-18-19(8-9-23(21)31)28-24-10-12-27-25(29-24)26-11-5-13-30-14-16-32-17-15-30/h3-4,6-10,12,18H,2,5,11,13-17H2,1H3,(H2,26,27,28,29)" . "C[C@@H]1CCN(C[C@@H]1N(c1ncnc2c1cc[nH]2)C)C(=O)N1CCCC1" . "C[C@@H]1CCN(C[C@@H]1N(c1ncnc2c1cc[nH]2)C)C(=O)N1CCCC1" . "RONMOMUOZGIDET-HIFRSBDPSA-N" . "InChI=1S/C18H26N6O/c1-13-6-10-24(18(25)23-8-3-4-9-23)11-15(13)22(2)17-14-5-7-19-16(14)20-12-21-17/h5,7,12-13,15H,3-4,6,8-11H2,1-2H3,(H,19,20,21)/t13-,15+/m1/s1" . "O=c1cc(occ1OCCCCCSc1ccnc2c1ccc(c2)C(F)(F)F)CN1CCOCC1" . "O=c1cc(occ1OCCCCCSc1ccnc2c1ccc(c2)C(F)(F)F)CN1CCOCC1" . "MIDUFIRTIFUTQA-UHFFFAOYSA-N" . "InChI=1S/C25H27F3N2O4S/c26-25(27,28)18-4-5-20-21(14-18)29-7-6-24(20)35-13-3-1-2-10-33-23-17-34-19(15-22(23)31)16-30-8-11-32-12-9-30/h4-7,14-15,17H,1-3,8-13,16H2" . "CO[C@H]1C[C@@H](C)O[C@H]([C@@H]1O)O[C@H]1[C@@H](C)/C=C/C(=O)O[C@H](C)[C@@H](CO[C@@H]2O[C@H](C)[C@H]([C@H]([C@H]2OC)OC)O)[C@H]2[C@H](/C=C/C(=O)[C@@](C[C@@H]1C)(C)O)O2" . "CO[C@H]1C[C@@H](C)O[C@H]([C@@H]1O)O[C@H]1[C@@H](C)/C=C/C(=O)O[C@H](C)[C@@H](CO[C@@H]2O[C@H](C)[C@H]([C@H]([C@H]2OC)OC)O)[C@H]2[C@H](/C=C/C(=O)[C@@](C[C@@H]1C)(C)O)O2" . "KLGADJPDTCIJLO-FCNIXBKESA-N" . "InChI=1S/C35H56O14/c1-17-10-13-26(37)46-20(4)22(16-44-34-32(43-9)31(42-8)27(38)21(5)47-34)30-23(48-30)11-12-25(36)35(6,40)15-18(2)29(17)49-33-28(39)24(41-7)14-19(3)45-33/h10-13,17-24,27-34,38-40H,14-16H2,1-9H3/b12-11+,13-10+/t17-,18-,19+,20+,21+,22+,23-,24-,27+,28+,29-,30-,31+,32+,33-,34+,35-/m0/s1" . "CCN(CCCC(Nc1nc(Nc2ccc3c(c2)c(N)cc(n3)C)cc(n1)C)C)CC" . "CCN(CCCC(Nc1nc(Nc2ccc3c(c2)c(N)cc(n3)C)cc(n1)C)C)CC" . "DEFBCZWQLILOJF-UHFFFAOYSA-N" . "InChI=1S/C24H35N7/c1-6-31(7-2)12-8-9-16(3)27-24-28-18(5)14-23(30-24)29-19-10-11-22-20(15-19)21(25)13-17(4)26-22/h10-11,13-16H,6-9,12H2,1-5H3,(H2,25,26)(H2,27,28,29,30)" . "Oc1ccc(cc1)C(C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1CC(=O)O)NC(=O)c1coc2c(c1=O)cc(c(c2)O)O" . "Oc1ccc(cc1)C(C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1CC(=O)O)NC(=O)c1coc2c(c1=O)cc(c(c2)O)O" . "IZPIFKHYHHWRMA-UHFFFAOYSA-N" . "InChI=1S/C29H23N7O12S2/c37-13-3-1-11(2-4-13)20(30-24(43)15-8-48-18-6-17(39)16(38)5-14(18)23(15)42)25(44)31-21-26(45)36-22(28(46)47)12(9-49-27(21)36)10-50-29-32-33-34-35(29)7-19(40)41/h1-6,8,20-21,27,37-39H,7,9-10H2,(H,30,43)(H,31,44)(H,40,41)(H,46,47)" . "O=c1[nH]c(=O)c2c([nH]1)ccc(c2)S(=O)(=O)Nc1ccc(cc1)c1ccncc1" . "O=c1[nH]c(=O)c2c([nH]1)ccc(c2)S(=O)(=O)Nc1ccc(cc1)c1ccncc1" . "OPBGIIQHYNFABO-UHFFFAOYSA-N" . "InChI=1S/C19H14N4O4S/c24-18-16-11-15(5-6-17(16)21-19(25)22-18)28(26,27)23-14-3-1-12(2-4-14)13-7-9-20-10-8-13/h1-11,23H,(H2,21,22,24,25)" . "C[C@H]([C@H]1C(=O)N2[C@@H]1SC(=C2C(=O)O)[C@H]1CCCO1)O" . "C[C@H]([C@H]1C(=O)N2[C@@H]1SC(=C2C(=O)O)[C@H]1CCCO1)O" . "HGGAKXAHAYOLDJ-FHZUQPTBSA-N" . "InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1" . "O[C@H]1CCN(C1)c1nc(nc(c1)C(=O)NCC1CC1)N1CCC[C@H](C1)c1ccccc1" . "O[C@H]1CCN(C1)c1nc(nc(c1)C(=O)NCC1CC1)N1CCC[C@H](C1)c1ccccc1" . "GFHJYPQZBBHOCC-UXHICEINSA-N" . "InChI=1S/C24H31N5O2/c30-20-10-12-28(16-20)22-13-21(23(31)25-14-17-8-9-17)26-24(27-22)29-11-4-7-19(15-29)18-5-2-1-3-6-18/h1-3,5-6,13,17,19-20,30H,4,7-12,14-16H2,(H,25,31)/t19-,20+/m1/s1" . "CCc1cc(O)c(cc1F)Oc1ccc(cc1F)C(=O)N" . "CCc1cc(O)c(cc1F)Oc1ccc(cc1F)C(=O)N" . "QUHARGDBJJUOEB-UHFFFAOYSA-N" . "InChI=1S/C15H13F2NO3/c1-2-8-6-12(19)14(7-10(8)16)21-13-4-3-9(15(18)20)5-11(13)17/h3-7,19H,2H2,1H3,(H2,18,20)" . "COC1C[C@H]2C=C[C@@H]3[C@@H]4[C@]2(O[C@H](C3)[C@@H]([C@H]4O)C)/C(=C/C2[C@H](OC1=O)C(O)CO/C=C/C1=C(CCC(=O)OC2)C(=O)OC1=O)/C" . "COC1C[C@H]2C=C[C@@H]3[C@@H]4[C@]2(O[C@H](C3)[C@@H]([C@H]4O)C)/C(=C/C2[C@H](OC1=O)C(O)CO/C=C/C1=C(CCC(=O)OC2)C(=O)OC1=O)/C" . "UGSGHHXIPUAOBJ-FUQUDWCDSA-N" . "InChI=1S/C32H38O12/c1-15-10-18-13-41-25(34)7-6-20-21(30(37)43-29(20)36)8-9-40-14-22(33)28(18)42-31(38)24(39-3)12-19-5-4-17-11-23-16(2)27(35)26(17)32(15,19)44-23/h4-5,8-10,16-19,22-24,26-28,33,35H,6-7,11-14H2,1-3H3/b9-8+,15-10+/t16-,17-,18?,19+,22?,23+,24?,26-,27+,28-,32-/m0/s1" . "Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O" . "Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O" . "IYRMWMYZSQPJKC-UHFFFAOYSA-N" . "InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H" . "CO/N=C(/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)Cn1nnc(n1)C)/c1csc(n1)N" . "CO/N=C(/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)Cn1nnc(n1)C)/c1csc(n1)N" . "XSPUSVIQHBDITA-RKYNPMAHSA-N" . "InChI=1S/C16H17N9O5S2/c1-6-20-23-24(21-6)3-7-4-31-14-10(13(27)25(14)11(7)15(28)29)19-12(26)9(22-30-2)8-5-32-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29)/b22-9-/t10-,14-/m1/s1" . "C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1CN[C@@H](C1)[C@@H]([C@H]1CNCC1)O)O" . "C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1CN[C@@H](C1)[C@@H]([C@H]1CNCC1)O)O" . "QYOLGBCSUXWEKY-ANTKKXPTSA-N" . 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"InChI=1S/C14H14N8O5S2/c1-27-20-7(6-4-29-14(15)18-6)10(23)19-8-11(24)22-9(13(25)26)5(2-17-21-16)3-28-12(8)22/h4,8,12H,2-3H2,1H3,(H2,15,18)(H,19,23)(H,25,26)/b20-7+/t8-,12-/m1/s1" . "OC(=O)[C@H](c1ccc(c(c1)O)O)O/N=C(/c1cnc(s1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1cc(C)nc2n1nc(n2)C(=O)O" . "OC(=O)[C@H](c1ccc(c(c1)O)O)O/N=C(/c1cnc(s1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1cc(C)nc2n1nc(n2)C(=O)O" . "PBJHSJKHPMHQSC-XIMWIQTNSA-N" . "InChI=1S/C28H23N9O11S3/c1-9-4-15(37-28(31-9)33-20(34-37)26(46)47)49-7-11-8-50-23-17(22(41)36(23)18(11)24(42)43)32-21(40)16(14-6-30-27(29)51-14)35-48-19(25(44)45)10-2-3-12(38)13(39)5-10/h2-6,17,19,23,38-39H,7-8H2,1H3,(H2,29,30)(H,32,40)(H,42,43)(H,44,45)(H,46,47)/b35-16+/t17-,19+,23-/m1/s1" . "CN1CCN(CC1)C1=C2OCC3=NSC4=C(C(=O)CC(=C1F)C4C23)C(=O)O" . "CN1CCN(CC1)C1=C2OCC3=NSC4=C(C(=O)CC(=C1F)C4C23)C(=O)O" . "BVTDWOWPDCPIOM-UHFFFAOYSA-N" . "InChI=1S/C18H18FN3O4S/c1-21-2-4-22(5-3-21)15-14(19)8-6-10(23)13(18(24)25)17-11(8)12-9(20-27-17)7-26-16(12)15/h11-12H,2-7H2,1H3,(H,24,25)" . "CC[n+]1ccc(cc1)SCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)/C(=N/O[C@H](C(=O)O)C)/c1csc(n1)N" . "CC[n+]1ccc(cc1)SCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)/C(=N/O[C@H](C(=O)O)C)/c1csc(n1)N" . "HJXPKHCLLLRQDL-HFCXZPKYSA-O" . "InChI=1S/C23H24N6O7S3/c1-3-28-6-4-13(5-7-28)37-8-12-9-38-20-16(19(31)29(20)17(12)22(34)35)26-18(30)15(14-10-39-23(24)25-14)27-36-11(2)21(32)33/h4-7,10-11,16,20H,3,8-9H2,1-2H3,(H4-,24,25,26,30,32,33,34,35)/p+1/b27-15+/t11-,16+,20+/m0/s1" . "O/N=C(/c1ccc(cc1)OCC[C@H](C(=O)O)N)/C(=O)N[C@H]1CN(C1=O)[C@H](c1ccc(c(c1)Cl)O)C(=O)O" . "O/N=C(/c1ccc(cc1)OCC[C@H](C(=O)O)N)/C(=O)N[C@H]1CN(C1=O)[C@H](c1ccc(c(c1)Cl)O)C(=O)O" . "UMDAIHWMUXNVSB-IMUCLJOZSA-N" . "InChI=1S/C23H23ClN4O9/c24-14-9-12(3-6-17(14)29)19(23(34)35)28-10-16(21(28)31)26-20(30)18(27-36)11-1-4-13(5-2-11)37-8-7-15(25)22(32)33/h1-6,9,15-16,19,29,36H,7-8,10,25H2,(H,26,30)(H,32,33)(H,34,35)/b27-18+/t15-,16+,19-/m1/s1" . "CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N=c1ccc(cn1O)F)CN(C=O)O" . "CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N=c1ccc(cn1O)F)CN(C=O)O" . "AYCMYBACERJYNY-HIFRSBDPSA-N" . "InChI=1S/C18H25FN4O5/c1-2-3-5-13(10-21(27)12-24)18(26)22-9-4-6-15(22)17(25)20-16-8-7-14(19)11-23(16)28/h7-8,11-13,15,27-28H,2-6,9-10H2,1H3/t13-,15+/m1/s1" . "C[C@H]1C[C@@H](C)[C@@H]2[C@H](C1)C=CC([C@H]2/C(=C/1/C(=O)[C@@H](N(C1=O)C)C(C)C)/O)[C@]1(C)O[C@H]1C" . "C[C@H]1C[C@@H](C)[C@@H]2[C@H](C1)C=CC([C@H]2/C(=C/1/C(=O)[C@@H](N(C1=O)C)C(C)C)/O)[C@]1(C)O[C@H]1C" . "OBDFYDGODWWFEX-UDEGNFRISA-N" . "InChI=1S/C25H37NO4/c1-12(2)21-23(28)20(24(29)26(21)7)22(27)19-17(25(6)15(5)30-25)9-8-16-11-13(3)10-14(4)18(16)19/h8-9,12-19,21,27H,10-11H2,1-7H3/b22-20-/t13-,14+,15-,16-,17?,18+,19+,21-,25+/m0/s1" . "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](N(C[C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O" . "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](N(C[C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O" . "CVVWWIGGJJALDG-CFLXSVEWSA-N" . "InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)20(2)19-40(13)21(3)17-36(8,45)33(52-35-29(41)26(39(11)12)16-22(4)48-35)23(5)30(24(6)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21+,22+,23-,24+,25-,26-,27+,28-,29+,30-,31+,32-,33+,35-,36+,37+,38+/m0/s1" . "C/C/1=C/[C@@H](O)C(=O)/C=C/C=C/c2nc([C@H](NC(=O)C[C@@]3(CC1)S(=O)SC(=O)[C@]3(C)O)C)sc2" . "C/C/1=C/[C@@H](O)C(=O)/C=C/C=C/c2nc([C@H](NC(=O)C[C@@]3(CC1)S(=O)SC(=O)[C@]3(C)O)C)sc2" . "ZHTRILQJTPJGNK-FYBAATNNSA-N" . "InChI=1S/C22H26N2O6S3/c1-13-8-9-22(21(3,29)20(28)32-33(22)30)11-18(27)23-14(2)19-24-15(12-31-19)6-4-5-7-16(25)17(26)10-13/h4-7,10,12,14,17,26,29H,8-9,11H2,1-3H3,(H,23,27)/b6-4-,7-5+,13-10+/t14-,17-,21+,22-,33?/m1/s1" . "COc1c(ccc2c1n(cc(c2=O)C(=O)O)[C@@H]1C[C@@H]1F)N1CC[C@H](C1)C1(N)CC1" . "COc1c(ccc2c1n(cc(c2=O)C(=O)O)[C@@H]1C[C@@H]1F)N1CC[C@H](C1)C1(N)CC1" . "ZLICIITZJTYKAQ-DIOULYMOSA-N" . "InChI=1S/C21H24FN3O4/c1-29-19-15(24-7-4-11(9-24)21(23)5-6-21)3-2-12-17(19)25(16-8-14(16)22)10-13(18(12)26)20(27)28/h2-3,10-11,14,16H,4-9,23H2,1H3,(H,27,28)/t11-,14+,16-/m1/s1" . "C[C@@H](/C=C(/[C@@H]1O[C@H]2C/C=C/CC/C=C/[C@H](O)[C@H](O)[C@H]3C[C@H](O)[C@H]([C@H](O3)C/C=C/[C@@H]3O[C@H]4[C@@H](/C=C/C=C/C=C/C(=O)O[C@H]1C=C2)O[C@H](C4)[C@H]3C)C)/C)CCCCC(=O)O" . "C[C@@H](/C=C(/[C@@H]1O[C@H]2C/C=C/CC/C=C/[C@H](O)[C@H](O)[C@H]3C[C@H](O)[C@H]([C@H](O3)C/C=C/[C@@H]3O[C@H]4[C@@H](/C=C/C=C/C=C/C(=O)O[C@H]1C=C2)O[C@H](C4)[C@H]3C)C)/C)CCCCC(=O)O" . "OTABDKFPJQZJRD-QLGZCQHWSA-N" . "InChI=1S/C47H66O11/c1-30(17-14-15-23-44(50)51)27-31(2)47-40-26-25-34(54-47)18-10-6-5-7-11-19-35(48)46(53)43-28-36(49)32(3)37(56-43)21-16-22-38-33(4)41-29-42(55-38)39(57-41)20-12-8-9-13-24-45(52)58-40/h6,8-13,16,19-20,22,24-27,30,32-43,46-49,53H,5,7,14-15,17-18,21,23,28-29H2,1-4H3,(H,50,51)/b9-8-,10-6+,19-11+,20-12+,22-16+,24-13-,31-27+/t30-,32-,33+,34+,35+,36+,37-,38+,39-,40+,41-,42-,43-,46+,47+/m1/s1" . "COc1c(N2C[C@H](C3(C2)CC3)N)c(F)cc2c1n(cc(c2=O)C(=O)O)[C@@H]1C[C@@H]1F" . "COc1c(N2C[C@H](C3(C2)CC3)N)c(F)cc2c1n(cc(c2=O)C(=O)O)[C@@H]1C[C@@H]1F" . "JYRHGXXQSIPDDP-IACUBPJLSA-N" . "InChI=1S/C20H21F2N3O4/c1-29-18-15-9(17(26)10(19(27)28)6-25(15)13-5-11(13)21)4-12(22)16(18)24-7-14(23)20(8-24)2-3-20/h4,6,11,13-14H,2-3,5,7-8,23H2,1H3,(H,27,28)/t11-,13+,14+/m0/s1" . "OC(=O)[C@@H]1N2C(=O)C[C@H]([C@H]2SC1(C)C)NC(=O)/C(=N/OC1CCCC1)/c1csc(n1)N" . "OC(=O)[C@@H]1N2C(=O)C[C@H]([C@H]2SC1(C)C)NC(=O)/C(=N/OC1CCCC1)/c1csc(n1)N" . "KNTUUEGDGYZCIA-ZUPSXRMKSA-N" . "InChI=1S/C19H25N5O5S2/c1-19(2)14(17(27)28)24-12(25)7-10(16(24)31-19)21-15(26)13(11-8-30-18(20)22-11)23-29-9-5-3-4-6-9/h8-10,14,16H,3-7H2,1-2H3,(H2,20,22)(H,21,26)(H,27,28)/b23-13+/t10-,14+,16-/m1/s1" . "C=C[C@]1(C)C[C@@H](OC(=O)CSC2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3([C@H]([C@@H]1O)C)[C@H]2C(=O)CC3" . "C=C[C@]1(C)C[C@@H](OC(=O)CSC2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3([C@H]([C@@H]1O)C)[C@H]2C(=O)CC3" . "STZYTFJPGGDRJD-FJJJPKKESA-N" . "InChI=1S/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34H,1,8-17H2,2-6H3/t18-,19+,20-,21+,22?,24-,26+,27+,28-,29+,30+/m1/s1" . "C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccc(cc2)CO)[C@]2(C)C(C)CC[C@]3([C@H]([C@@H]1O)C)C2C(=O)CC3" . "C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccc(cc2)CO)[C@]2(C)C(C)CC[C@]3([C@H]([C@@H]1O)C)C2C(=O)CC3" . "NOQBAJLIGCZEQP-CREOWZIVSA-N" . "InChI=1S/C29H40O5S/c1-6-27(4)15-23(34-24(32)17-35-21-9-7-20(16-30)8-10-21)28(5)18(2)11-13-29(19(3)26(27)33)14-12-22(31)25(28)29/h6-10,18-19,23,25-26,30,33H,1,11-17H2,2-5H3/t18?,19-,23+,25?,26-,27+,28-,29-/m0/s1" . "NCCSCc1cnccc1SC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)C(=NO)c1nc(sc1Cl)N" . "NCCSCc1cnccc1SC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)C(=NO)c1nc(sc1Cl)N" . "LTUWUNMGTLOPNC-UHFFFAOYSA-N" . "InChI=1S/C20H20ClN7O5S4/c21-15-11(26-20(23)37-15)12(27-33)16(29)25-13-17(30)28-14(19(31)32)10(7-35-18(13)28)36-9-1-3-24-5-8(9)6-34-4-2-22/h1,3,5,13,18,33H,2,4,6-7,22H2,(H2,23,26)(H,25,29)(H,31,32)" . "CC[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)Oc1ccccc1" . "CC[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)Oc1ccccc1" . "HOCWPKXKMNXINF-RSUWNVLCSA-N" . "InChI=1S/C18H22N2O5S/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24)/t11-,12+,13-,16+/m0/s1" . "OC[C@H]1CN(C(=O)O1)c1ccc(c(c1)F)N1CCN(N=C1)C" . "OC[C@H]1CN(C(=O)O1)c1ccc(c(c1)F)N1CCN(N=C1)C" . "QLUWQAFDTNAYPN-LLVKDONJSA-N" . "InChI=1S/C14H17FN4O3/c1-17-4-5-18(9-16-17)13-3-2-10(6-12(13)15)19-7-11(8-20)22-14(19)21/h2-3,6,9,11,20H,4-5,7-8H2,1H3/t11-/m1/s1" . "OCC(C1OC2N(C1=O)[C@H]1CC(O[C@H]([C@H]1OC(OC2C)CC(O)C)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)C)C" . "OCC(C1OC2N(C1=O)[C@H]1CC(O[C@H]([C@H]1OC(OC2C)CC(O)C)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)C)C" . "JVRLFIBJALHFAP-JLHPLHHJSA-N" . "InChI=1S/C39H47NO15/c1-15(14-41)35-37(48)40-22-11-26(51-17(3)36(22)54-25(10-16(2)42)52-18(4)38(40)55-35)53-24-13-39(49,19(5)43)12-21-28(24)34(47)30-29(32(21)45)31(44)20-8-7-9-23(50-6)27(20)33(30)46/h7-9,15-18,22,24-26,35-36,38,41-42,45,47,49H,10-14H2,1-6H3/t15?,16?,17-,18?,22-,24-,25?,26?,35?,36+,38?,39-/m0/s1" . "CCSC1=C(C(=O)O)N2[C@H](S1)C(C2=O)C(O)C" . "CCSC1=C(C(=O)O)N2[C@H](S1)C(C2=O)C(O)C" . "LDVDKTLZRGWFID-MPKXYMLHSA-N" . "InChI=1S/C10H13NO4S2/c1-3-16-10-6(9(14)15)11-7(13)5(4(2)12)8(11)17-10/h4-5,8,12H,3H2,1-2H3,(H,14,15)/t4?,5?,8-/m1/s1" . "C/C=C/C/C=C(/C(CC/C(=C/C=C(/C(=O)c1c(O)cc(oc1=O)C(CC/C=C/NC(=O)OC)C)/C)/C)O)/C" . "C/C=C/C/C=C(/C(CC/C(=C/C=C(/C(=O)c1c(O)cc(oc1=O)C(CC/C=C/NC(=O)OC)C)/C)/C)O)/C" . "FPBHSTHTCPCNBS-QXMYDWGFSA-N" . "InChI=1S/C30H41NO7/c1-7-8-9-12-21(3)24(32)17-15-20(2)14-16-23(5)28(34)27-25(33)19-26(38-29(27)35)22(4)13-10-11-18-31-30(36)37-6/h7-8,11-12,14,16,18-19,22,24,32-33H,9-10,13,15,17H2,1-6H3,(H,31,36)/b8-7+,18-11+,20-14+,21-12+,23-16+" . "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2c(O)c(/C=N/N4CCC(CC4)N(C4(CC4)[C@@H]4CCN(C4)c4c(F)cn5c(c4C)c(cc(c5=O)C(=O)O)C4CC4)C)c(c(c2c(c3C)O)O)NC(=O)/C(=C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)/C" . "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2c(O)c(/C=N/N4CCC(CC4)N(C4(CC4)[C@@H]4CCN(C4)c4c(F)cn5c(c4C)c(cc(c5=O)C(=O)O)C4CC4)C)c(c(c2c(c3C)O)O)NC(=O)/C(=C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)/C" . "OPZFMLLAJBIKAN-KYGXCNJYSA-N" . "InChI=1S/C65H81FN6O15/c1-31-13-12-14-32(2)61(80)68-50-44(56(77)47-48(57(50)78)55(76)37(7)59-49(47)60(79)64(9,87-59)85-26-20-46(84-11)33(3)58(86-38(8)73)36(6)54(75)35(5)53(31)74)28-67-71-24-18-41(19-25-71)69(10)65(21-22-65)40-17-23-70(29-40)52-34(4)51-42(39-15-16-39)27-43(63(82)83)62(81)72(51)30-45(52)66/h12-14,20,26-28,30-31,33,35-36,39-41,46,53-54,58,74-78H,15-19,21-25,29H2,1-11H3,(H,68,80)(H,82,83)/b13-12+,26-20+,32-14-,67-28+/t31-,33+,35+,36+,40+,46-,53-,54+,58+,64-/m0/s1" . "OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H](/C/2=C/C)CC(=O)OCCc2ccc(c(c2)O)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O" . "OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H](/C/2=C/C)CC(=O)OCCc2ccc(c(c2)O)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O" . "RFWGABANNQMHMZ-ZCHJGGQASA-N" . "InChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,14,18,20-22,24-28,30-32H,6-7,9-10H2,1-2H3/b13-3+/t14-,18+,20+,21-,22+,24-,25-/m0/s1" . "CC[C@H]1Cn2nc(c3c2c(N1CC1CC1)cc(n3)C)c1ccc(cc1Cl)Cl" . "CC[C@H]1Cn2nc(c3c2c(N1CC1CC1)cc(n3)C)c1ccc(cc1Cl)Cl" . "SUCZRVASFXLXDM-HNNXBMFYSA-N" . "InChI=1S/C21H22Cl2N4/c1-3-15-11-27-21-18(26(15)10-13-4-5-13)8-12(2)24-20(21)19(25-27)16-7-6-14(22)9-17(16)23/h6-9,13,15H,3-5,10-11H2,1-2H3/t15-/m0/s1" . "COc1cc(F)c(c(c1)F)[C@@H]1CNC(=O)[C@H]1NC(=O)Nc1ccccc1" . "COc1cc(F)c(c(c1)F)[C@@H]1CNC(=O)[C@H]1NC(=O)Nc1ccccc1" . "FJZNNKJZHQFMCK-LRDDRELGSA-N" . "InChI=1S/C18H17F2N3O3/c1-26-11-7-13(19)15(14(20)8-11)12-9-21-17(24)16(12)23-18(25)22-10-5-3-2-4-6-10/h2-8,12,16H,9H2,1H3,(H,21,24)(H2,22,23,25)/t12-,16-/m0/s1" . "Clc1cc(c(cc1O[C@H]1CCCC[C@@H]1c1ccnn1C)F)S(=O)(=O)Nc1ccncn1" . "Clc1cc(c(cc1O[C@H]1CCCC[C@@H]1c1ccnn1C)F)S(=O)(=O)Nc1ccncn1" . "OJKONCJPCULNOW-DYVFJYSZSA-N" . "InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1" . "CC(=O)NC1CON(C1=O)C1(CCC(=O)O1)C(=O)O" . "CC(=O)NC1CON(C1=O)C1(CCC(=O)O1)C(=O)O" . "ZUEKKUYIXILDAF-UHFFFAOYSA-N" . "InChI=1S/C10H12N2O7/c1-5(13)11-6-4-18-12(8(6)15)10(9(16)17)3-2-7(14)19-10/h6H,2-4H2,1H3,(H,11,13)(H,16,17)" . "CN=C1NC(=O)[C@@H](O1)[C@@H](c1c[nH]c2c1cccc2)C" . "CN=C1NC(=O)[C@@H](O1)[C@@H](c1c[nH]c2c1cccc2)C" . "GNTVWGDQPXCYBV-PELKAZGASA-N" . "InChI=1S/C14H15N3O2/c1-8(12-13(18)17-14(15-2)19-12)10-7-16-11-6-4-3-5-9(10)11/h3-8,12,16H,1-2H3,(H,15,17,18)/t8-,12+/m1/s1" . "C/C(=C/[C@H]([C@H]1O[C@@]2(C)O[C@@H]([C@@H]1C)C=CC12OC1)C)/C=C/C(=C/1/C(=O)CNC1=O)/O" . "C/C(=C/[C@H]([C@H]1O[C@@]2(C)O[C@@H]([C@@H]1C)C=CC12OC1)C)/C=C/C(=C/1/C(=O)CNC1=O)/O" . "LTYHWFXVSQHTQH-BWPJEIAHSA-N" . "InChI=1S/C22H27NO6/c1-12(5-6-15(24)18-16(25)10-23-20(18)26)9-13(2)19-14(3)17-7-8-22(11-27-22)21(4,28-17)29-19/h5-9,13-14,17,19,24H,10-11H2,1-4H3,(H,23,26)/b6-5+,12-9+,18-15-/t13-,14+,17-,19-,21-,22?/m1/s1" . "CO[C@H]1[C@@H](O)[C@H](N)[C@H]([C@@H]([C@@H]1N(C(=O)CN=CN)C)O)O[C@H]1O[C@@H](CC[C@H]1N)[C@@H](N)C" . "CO[C@H]1[C@@H](O)[C@H](N)[C@H]([C@@H]([C@@H]1N(C(=O)CN=CN)C)O)O[C@H]1O[C@@H](CC[C@H]1N)[C@@H](N)C" . "VFBPKQSATYZKRX-WKEGKRRDSA-N" . "InChI=1S/C18H36N6O6/c1-8(20)10-5-4-9(21)18(29-10)30-16-12(22)14(26)17(28-3)13(15(16)27)24(2)11(25)6-23-7-19/h7-10,12-18,26-27H,4-6,20-22H2,1-3H3,(H2,19,23)/t8-,9+,10-,12-,13-,14-,15+,16+,17+,18+/m0/s1" . "CCCCCCCCCCCC1OC(=O)[C@@H](NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](NC(=O)[C@H](N(C(=O)C1)C(=O)CC(CCCCCCCCCCC(C)C)O)[C@H](O)C)C)CC[C@@H]2O)CCCN=C(N)N)[C@H](C(=O)O)O)[C@@H](C(=O)O)O" . "CCCCCCCCCCCC1OC(=O)[C@@H](NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](NC(=O)[C@H](N(C(=O)C1)C(=O)CC(CCCCCCCCCCC(C)C)O)[C@H](O)C)C)CC[C@@H]2O)CCCN=C(N)N)[C@H](C(=O)O)O)[C@@H](C(=O)O)O" . "RRAOZJHXDSMGMH-LOKPQUDHSA-N" . "InChI=1S/C64H109N11O22/c1-6-7-8-9-10-11-16-19-22-26-40-34-46(82)75(45(81)33-39(78)25-21-18-15-13-12-14-17-20-24-36(2)3)49(38(5)77)56(87)68-37(4)59(90)73-31-28-43(79)50(73)57(88)69-41(27-23-30-67-64(65)66)54(85)71-47(52(83)61(92)93)55(86)70-42(35-76)60(91)74-32-29-44(80)51(74)58(89)72-48(63(96)97-40)53(84)62(94)95/h36-44,47-53,76-80,83-84H,6-35H2,1-5H3,(H,68,87)(H,69,88)(H,70,86)(H,71,85)(H,72,89)(H,92,93)(H,94,95)(H4,65,66,67)/t37-,38-,39?,40?,41+,42-,43+,44+,47-,48+,49-,50+,51+,52-,53+/m1/s1" . "CO[C@H]1C[C@H]2C=C[C@@H]3[C@@H]4[C@]2(O[C@H]3[C@@H]([C@@H]([C@H]4O)C)O)/C(=C/[C@H]([C@H](OC1=O)[C@H](O)C)C)/C" . "CO[C@H]1C[C@H]2C=C[C@@H]3[C@@H]4[C@]2(O[C@H]3[C@@H]([C@@H]([C@H]4O)C)O)/C(=C/[C@H]([C@H](OC1=O)[C@H](O)C)C)/C" . "LUCYVUUQBYQHOV-GFCOOTNGSA-N" . "InChI=1S/C23H34O7/c1-10-8-11(2)23-14(9-16(28-5)22(27)29-20(10)13(4)24)6-7-15-17(23)18(25)12(3)19(26)21(15)30-23/h6-8,10,12-21,24-26H,9H2,1-5H3/b11-8-/t10-,12-,13-,14-,15-,16+,17+,18-,19-,20+,21-,23+/m1/s1" . "CCN[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1OC(=CC[C@H]1N)C(N)C" . "CCN[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1OC(=CC[C@H]1N)C(N)C" . "QVRLHIRFLRXFIW-OFMFRWEUSA-N" . "InChI=1S/C22H43N5O7/c1-5-27-13-8-12(25)17(33-20-11(24)6-7-14(32-20)10(2)23)15(28)18(13)34-21-16(29)19(26-4)22(3,30)9-31-21/h7,10-13,15-21,26-30H,5-6,8-9,23-25H2,1-4H3/t10?,11-,12+,13-,15+,16-,17-,18+,19-,20-,21-,22+/m1/s1" . "FC(Oc1c(N2CC3C(C2)CCCN3)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1)F" . "FC(Oc1c(N2CC3C(C2)CCCN3)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1)F" . "KNLARSZRTBDTIA-UHFFFAOYSA-N" . "InChI=1S/C21H22F3N3O4/c22-14-6-12-16(27(11-3-4-11)8-13(18(12)28)20(29)30)19(31-21(23)24)17(14)26-7-10-2-1-5-25-15(10)9-26/h6,8,10-11,15,21,25H,1-5,7,9H2,(H,29,30)" . "CO[C@H]1[C@@H](OC(=O)C)[C@@H](OC(=O)N)[C@H](O[C@@H]1N1C(=O)/C(=C(/C2[C@@H](C)C=C[C@@H]3[C@@H]2C(=C)CC[C@H]3O[C@@H]2O[C@H](C)[C@H]([C@](C2)(O)[C@@H](NC(=O)c2[nH]cc(c2Cl)Cl)C)O)/O)/C(=O)[C@@H]1C(C)C)C" . "CO[C@H]1[C@@H](OC(=O)C)[C@@H](OC(=O)N)[C@H](O[C@@H]1N1C(=O)/C(=C(/C2[C@@H](C)C=C[C@@H]3[C@@H]2C(=C)CC[C@H]3O[C@@H]2O[C@H](C)[C@H]([C@](C2)(O)[C@@H](NC(=O)c2[nH]cc(c2Cl)Cl)C)O)/O)/C(=O)[C@@H]1C(C)C)C" . "ZPMXCTSMZFCELU-DEIVJSAASA-N" . "InChI=1S/C43H58Cl2N4O14/c1-16(2)32-34(52)29(40(55)49(32)41-37(58-9)36(61-22(8)50)35(19(5)60-41)63-42(46)56)33(51)28-18(4)10-12-23-25(13-11-17(3)27(23)28)62-26-14-43(57,38(53)20(6)59-26)21(7)48-39(54)31-30(45)24(44)15-47-31/h10,12,15-16,18-21,23,25-28,32,35-38,41,47,51,53,57H,3,11,13-14H2,1-2,4-9H3,(H2,46,56)(H,48,54)/b33-29-/t18-,19+,20+,21-,23-,25+,26-,27-,28?,32-,35-,36-,37-,38+,41-,43+/m0/s1" . "O=CC1=CC(O)C(C(C1OC(=O)C(C)C)O)O" . "O=CC1=CC(O)C(C(C1OC(=O)C(C)C)O)O" . "TWOYHFIJNHPEEO-UHFFFAOYSA-N" . "InChI=1S/C11H16O6/c1-5(2)11(16)17-10-6(4-12)3-7(13)8(14)9(10)15/h3-5,7-10,13-15H,1-2H3" . "CC[C@H]([C@@H]1NC(=O)[C@@H]2CS[C@@H](C)[C@@H](NC(=O)[C@@H]3CS[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]4NC(=O)[C@H](CS[C@H]4C)N)Cc4ccccc4)C(=O)N[C@@H](CC(C)C)C(=O)N4CCC[C@H]4C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N3)C(C)C)C(=O)N[C@H](C(=O)NC([C@@H](S/C=C/NC1=O)C)C(=O)NC(=C)C(=O)N[C@H](C(=O)N2)CCC(=O)O)CC(C)C)C" . "CC[C@H]([C@@H]1NC(=O)[C@@H]2CS[C@@H](C)[C@@H](NC(=O)[C@@H]3CS[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]4NC(=O)[C@H](CS[C@H]4C)N)Cc4ccccc4)C(=O)N[C@@H](CC(C)C)C(=O)N4CCC[C@H]4C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N3)C(C)C)C(=O)N[C@H](C(=O)NC([C@@H](S/C=C/NC1=O)C)C(=O)NC(=C)C(=O)N[C@H](C(=O)N2)CCC(=O)O)CC(C)C)C" . "JSWKNDSDVHJUKY-CYGWNLPQSA-N" . "InChI=1S/C80H120N20O21S4/c1-14-40(8)61-74(115)82-24-26-122-42(10)62-76(117)87-41(9)66(107)88-48(22-23-59(105)106)68(109)92-52(71(112)95-61)35-124-44(12)64(78(119)89-49(27-37(2)3)69(110)97-62)99-72(113)53-36-125-45(13)65(98-70(111)50(29-46-19-16-15-17-20-46)90-77(118)63-43(11)123-34-47(81)67(108)96-63)79(120)91-51(28-38(4)5)80(121)100-25-18-21-54(100)73(114)86-32-57(103)84-30-55(101)83-31-56(102)85-33-58(104)94-60(39(6)7)75(116)93-53/h15-17,19-20,24,26,37-40,42-45,47-54,60-65H,9,14,18,21-23,25,27-36,81H2,1-8,10-13H3,(H,82,115)(H,83,101)(H,84,103)(H,85,102)(H,86,114)(H,87,117)(H,88,107)(H,89,119)(H,90,118)(H,91,120)(H,92,109)(H,93,116)(H,94,104)(H,95,112)(H,96,108)(H,97,110)(H,98,111)(H,99,113)(H,105,106)/b26-24+/t40-,42+,43+,44+,45+,47+,48+,49+,50+,51+,52+,53+,54+,60+,61+,62?,63-,64-,65-/m1/s1" . "CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1C[C@@H]1Cc3c(F)cc(c(c3C(=C1C2=O)O)O)NC(=O)[C@@H]1CCCN1C)O)O)C(=O)N)C" . "CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1C[C@@H]1Cc3c(F)cc(c(c3C(=C1C2=O)O)O)NC(=O)[C@@H]1CCCN1C)O)O)C(=O)N)C" . "VIWUYPVRNWIKLS-HMFHYXQTSA-N" . "InChI=1S/C27H31FN4O8/c1-31(2)19-12-8-10-7-11-13(28)9-14(30-26(39)15-5-4-6-32(15)3)20(33)17(11)21(34)16(10)23(36)27(12,40)24(37)18(22(19)35)25(29)38/h9-10,12,15,19,33-34,37,40H,4-8H2,1-3H3,(H2,29,38)(H,30,39)/t10-,12-,15-,19-,27-/m0/s1" . "CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@H]1[C@H](N)C[C@@H]([C@H]([C@@H]1O)O[C@@H]1OC(=CC[C@@H]1N)C(N)C)N" . "CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@H]1[C@H](N)C[C@@H]([C@H]([C@@H]1O)O[C@@H]1OC(=CC[C@@H]1N)C(N)C)N" . "XUSXOPRDIDWMFO-URTZJOLISA-N" . "InChI=1S/C20H39N5O7/c1-8(21)12-5-4-9(22)18(30-12)31-15-10(23)6-11(24)16(13(15)26)32-19-14(27)17(25-3)20(2,28)7-29-19/h5,8-11,13-19,25-28H,4,6-7,21-24H2,1-3H3/t8?,9-,10-,11+,13-,14+,15+,16-,17+,18-,19+,20-/m0/s1" . "CSCCC(C(=O)NC(C(N(C(=O)C1NC(C)c2c(C1)cc(cc2)O)C)C)C(=O)N/C=C/1/CC(C(O1)N1CCC(=O)NC1=O)O)NC(=O)NC(C(=O)O)Cc1cccc(c1)O" . "CSCCC(C(=O)NC(C(N(C(=O)C1NC(C)c2c(C1)cc(cc2)O)C)C)C(=O)N/C=C/1/CC(C(O1)N1CCC(=O)NC1=O)O)NC(=O)NC(C(=O)O)Cc1cccc(c1)O" . "AZGANZVUWUCOGH-XHPQRKPJSA-N" . "InChI=1S/C40H52N8O12S/c1-20-27-9-8-25(50)16-23(27)17-29(42-20)36(55)47(3)21(2)33(35(54)41-19-26-18-31(51)37(60-26)48-12-10-32(52)45-40(48)59)46-34(53)28(11-13-61-4)43-39(58)44-30(38(56)57)15-22-6-5-7-24(49)14-22/h5-9,14,16,19-21,28-31,33,37,42,49-51H,10-13,15,17-18H2,1-4H3,(H,41,54)(H,46,53)(H,56,57)(H2,43,44,58)(H,45,52,59)/b26-19-" . "CSCCC(C(=O)NC(C(N(C(=O)C1NCc2c(C1)cc(cc2)O)C)C)C(=O)N/C=C/1/CC(C(O1)N1CCC(=O)NC1=O)O)NC(=O)NC(C(=O)O)Cc1cccc(c1)O" . "CSCCC(C(=O)NC(C(N(C(=O)C1NCc2c(C1)cc(cc2)O)C)C)C(=O)N/C=C/1/CC(C(O1)N1CCC(=O)NC1=O)O)NC(=O)NC(C(=O)O)Cc1cccc(c1)O" . "MFEPAAMYDYMBSN-XHPQRKPJSA-N" . "InChI=1S/C39H50N8O12S/c1-20(46(2)35(54)28-16-23-15-25(49)8-7-22(23)18-40-28)32(34(53)41-19-26-17-30(50)36(59-26)47-11-9-31(51)44-39(47)58)45-33(52)27(10-12-60-3)42-38(57)43-29(37(55)56)14-21-5-4-6-24(48)13-21/h4-8,13,15,19-20,27-30,32,36,40,48-50H,9-12,14,16-18H2,1-3H3,(H,41,53)(H,45,52)(H,55,56)(H2,42,43,57)(H,44,51,58)/b26-19-" . "CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)N1CCN(CC1)Cc1ccc(o1)[N+](=O)[O-]" . "CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)N1CCN(CC1)Cc1ccc(o1)[N+](=O)[O-]" . "PWHNTOQANLCTHN-KRWDZBQOSA-N" . "InChI=1S/C21H24FN5O6/c1-14(28)23-11-17-13-26(21(29)33-17)15-2-4-19(18(22)10-15)25-8-6-24(7-9-25)12-16-3-5-20(32-16)27(30)31/h2-5,10,17H,6-9,11-13H2,1H3,(H,23,28)/t17-/m0/s1" . "Fc1ccc(cc1)N1CCN(CC1)c1cc2nc3n(C)cc(c(=O)c3cc2cc1F)C(=O)O" . "Fc1ccc(cc1)N1CCN(CC1)c1cc2nc3n(C)cc(c(=O)c3cc2cc1F)C(=O)O" . "YYHFVZLNDMSUBV-UHFFFAOYSA-N" . "InChI=1S/C24H20F2N4O3/c1-28-13-18(24(32)33)22(31)17-10-14-11-19(26)21(12-20(14)27-23(17)28)30-8-6-29(7-9-30)16-4-2-15(25)3-5-16/h2-5,10-13H,6-9H2,1H3,(H,32,33)" . "OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O" . "OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O" . "YQHZABGPIPECSQ-UHFFFAOYSA-N" . "InChI=1S/C15H10O6/c16-5-6-1-8-12(10(18)2-6)15(21)13-9(14(8)20)3-7(17)4-11(13)19/h1-4,16-19H,5H2" . "O=C1[C@@H](NC(=O)/C(=N/OCc2cc(=O)c(cn2O)O)/c2csc(n2)N)C(N1OS(=O)(=O)O)(C)C" . "O=C1[C@@H](NC(=O)/C(=N/OCc2cc(=O)c(cn2O)O)/c2csc(n2)N)C(N1OS(=O)(=O)O)(C)C" . "KLFSEZJCLYBFKQ-WXYNYTDUSA-N" . "InChI=1S/C16H18N6O10S2/c1-16(2)12(14(26)22(16)32-34(28,29)30)19-13(25)11(8-6-33-15(17)18-8)20-31-5-7-3-9(23)10(24)4-21(7)27/h3-4,6,12,24,27H,5H2,1-2H3,(H2,17,18)(H,19,25)(H,28,29,30)/b20-11-/t12-/m1/s1" . "NCC[C@@H](C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCN)Cc1ccccc1)CC(C)C)CCN)[C@H](O)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)Nc1ccccc1Cl)CCN" . "NCC[C@@H](C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCN)Cc1ccccc1)CC(C)C)CCN)[C@H](O)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)Nc1ccccc1Cl)CCN" . "OINMSSZOBLWDTB-SHGLBBHXSA-N" . "InChI=1S/C54H86ClN17O13/c1-28(2)26-40-50(81)64-34(14-20-56)44(75)63-37(17-23-59)48(79)71-42(29(3)73)52(83)61-25-19-39(47(78)62-35(15-21-57)46(77)68-41(51(82)67-40)27-31-10-6-5-7-11-31)65-45(76)36(16-22-58)66-53(84)43(30(4)74)72-49(80)38(18-24-60)70-54(85)69-33-13-9-8-12-32(33)55/h5-13,28-30,34-43,73-74H,14-27,56-60H2,1-4H3,(H,61,83)(H,62,78)(H,63,75)(H,64,81)(H,65,76)(H,66,84)(H,67,82)(H,68,77)(H,71,79)(H,72,80)(H2,69,70,85)/t29-,30-,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+/m1/s1" . "Clc1ccc(cc1)Cn1c(CN2CCCC2)nc2c1cccc2" . "Clc1ccc(cc1)Cn1c(CN2CCCC2)nc2c1cccc2" . "CJXAEXPPLWQRFR-UHFFFAOYSA-N" . "InChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2" . "COc1cc(C)c(c(c1)O)C(=O)OC(C(C(=O)O)(O)C)CC1OC2(CC(C1C)O)CC(C(O2)(C)C1C[C@@H]([C@@](O1)(C)[C@@H]1O[C@H](C[C@@H]1C)[C@H]1O[C@](C[C@@H]1C)(C)[C@H](CC)O)OC)C" . "COc1cc(C)c(c(c1)O)C(=O)OC(C(C(=O)O)(O)C)CC1OC2(CC(C1C)O)CC(C(O2)(C)C1C[C@@H]([C@@](O1)(C)[C@@H]1O[C@H](C[C@@H]1C)[C@H]1O[C@](C[C@@H]1C)(C)[C@H](CC)O)OC)C" . "SGLQOFJJLQBZBE-MSFHLGAUSA-N" . "InChI=1S/C45H70O15/c1-13-32(48)41(7)19-24(4)37(59-41)31-15-23(3)38(55-31)44(10)34(54-12)18-35(58-44)43(9)25(5)20-45(60-43)21-29(47)26(6)30(57-45)17-33(42(8,52)40(50)51)56-39(49)36-22(2)14-27(53-11)16-28(36)46/h14,16,23-26,29-35,37-38,46-48,52H,13,15,17-21H2,1-12H3,(H,50,51)/t23-,24-,25?,26?,29?,30?,31+,32-,33?,34-,35?,37-,38+,41-,42?,43?,44-,45?/m0/s1" . "CC(Cc1ccccc1)N" . "CC(Cc1ccccc1)N" . "KWTSXDURSIMDCE-UHFFFAOYSA-N" . "InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3" . "C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCCN(C2)C(=O)[C@@H](C(C)C)N)[C@]2(C)[C@H](C)CC[C@]3([C@H]([C@@H]1O)C)[C@H]2C(=O)CC3" . "C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCCN(C2)C(=O)[C@@H](C(C)C)N)[C@]2(C)[C@H](C)CC[C@]3([C@H]([C@@H]1O)C)[C@H]2C(=O)CC3" . "AFYOQRIZFPJUAR-UBTCORFISA-N" . "InChI=1S/C32H52N2O5S/c1-8-30(6)16-24(31(7)20(4)11-13-32(21(5)28(30)37)14-12-23(35)27(31)32)39-25(36)18-40-22-10-9-15-34(17-22)29(38)26(33)19(2)3/h8,19-22,24,26-28,37H,1,9-18,33H2,2-7H3/t20-,21+,22?,24-,26-,27+,28+,30-,31+,32+/m1/s1" . "O=C(c1ccc(cc1)/C=C/c1cnc2c(c1)cccc2)Nc1cc(n(c1)C)C(=O)Nc1cc(n(c1)C)C(=O)NCCN1CCOCC1" . "O=C(c1ccc(cc1)/C=C/c1cnc2c(c1)cccc2)Nc1cc(n(c1)C)C(=O)Nc1cc(n(c1)C)C(=O)NCCN1CCOCC1" . "OEKXCVYZBVOWBR-BQYQJAHWSA-N" . "InChI=1S/C36H37N7O4/c1-41-24-30(20-32(41)35(45)37-13-14-43-15-17-47-18-16-43)40-36(46)33-21-29(23-42(33)2)39-34(44)27-11-9-25(10-12-27)7-8-26-19-28-5-3-4-6-31(28)38-22-26/h3-12,19-24H,13-18H2,1-2H3,(H,37,45)(H,39,44)(H,40,46)/b8-7+" . "O=C1/C(=C/c2cn3c(n2)COCC3)/[C@@H]2N1C(=CS2)C(=O)O" . "O=C1/C(=C/c2cn3c(n2)COCC3)/[C@@H]2N1C(=CS2)C(=O)O" . "DMEYZPJEFHGESJ-CPWLGJMPSA-N" . "InChI=1S/C13H11N3O4S/c17-11-8(12-16(11)9(6-21-12)13(18)19)3-7-4-15-1-2-20-5-10(15)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/b8-3-/t12-/m1/s1" . "COC1CCC(OC1C)OC1(C)C(OC(C(C1O)C)(O)C(C(=O)O)C)C(C1CC(OC)C(C2(O1)CCC(O2)(C)C1CCC(O1)(C)C1CCC(O1)C1OC(C)(O)C(C(C1C)OC)C)C)C" . "COC1CCC(OC1C)OC1(C)C(OC(C(C1O)C)(O)C(C(=O)O)C)C(C1CC(OC)C(C2(O1)CCC(O2)(C)C1CCC(O1)(C)C1CCC(O1)C1OC(C)(O)C(C(C1C)OC)C)C)C" . "DIKYHBWGIUNGIW-UHFFFAOYSA-N" . "InChI=1S/C48H82O16/c1-24(41-45(10,61-37-18-16-31(54-12)30(7)57-37)40(49)28(5)48(53,63-41)29(6)42(50)51)33-23-34(55-13)26(3)47(59-33)22-21-44(9,64-47)36-19-20-43(8,60-36)35-17-15-32(58-35)39-25(2)38(56-14)27(4)46(11,52)62-39/h24-41,49,52-53H,15-23H2,1-14H3,(H,50,51)" . "O=C1/C(=C/c2c[nH]nn2)/[C@@H]2N1C(=CS2)C(=O)O" . "O=C1/C(=C/c2c[nH]nn2)/[C@@H]2N1C(=CS2)C(=O)O" . "WFUNKYVUHIZWEW-VRFQNRHZSA-N" . "InChI=1S/C9H6N4O3S/c14-7-5(1-4-2-10-12-11-4)8-13(7)6(3-17-8)9(15)16/h1-3,8H,(H,15,16)(H,10,11,12)/b5-1+/t8-/m1/s1" . "Oc1c(O)oc2c1cccc2" . "Oc1c(O)oc2c1cccc2" . "DNDWXJDUTDZBNV-UHFFFAOYSA-N" . "InChI=1S/C8H6O3/c9-7-5-3-1-2-4-6(5)11-8(7)10/h1-4,9-10H" . "Brc1cc(Br)c2c(c1)[C@H](NCCCNc1cc(=O)c3c([nH]1)ccs3)CCO2" . "Brc1cc(Br)c2c(c1)[C@H](NCCCNc1cc(=O)c3c([nH]1)ccs3)CCO2" . "NNTYBKTXMKBRFA-CQSZACIVSA-N" . "InChI=1S/C19H19Br2N3O2S/c20-11-8-12-14(2-6-26-18(12)13(21)9-11)22-4-1-5-23-17-10-16(25)19-15(24-17)3-7-27-19/h3,7-10,14,22H,1-2,4-6H2,(H2,23,24,25)/t14-/m1/s1" . "CC(c1nccs1)(C#Cc1ccc(c(c1)Nc1ncnc2c1cc[nH]2)N1CCOCC1)O" . "CC(c1nccs1)(C#Cc1ccc(c(c1)Nc1ncnc2c1cc[nH]2)N1CCOCC1)O" . "KJMURTHIPWRIMC-UHFFFAOYSA-N" . "InChI=1S/C23H22N6O2S/c1-23(30,22-25-8-13-32-22)6-4-16-2-3-19(29-9-11-31-12-10-29)18(14-16)28-21-17-5-7-24-20(17)26-15-27-21/h2-3,5,7-8,13-15,30H,9-12H2,1H3,(H2,24,26,27,28)" . "CO/C(=C/1/NC(=O)[C@@H](NC(=O)c2csc(n2)c2cc(O)c(nc2c2csc(n2)[C@H]2NC(=O)c3nc([C@@H](NC(=O)c4nc1sc4)[C@@H]1OCc4c(C(=O)OC2)n(c2c4c(COC(=O)[C@H]1O[C@@H]1O[C@@H](C)[C@@H]4[C@@](C1)(C)OC(N4C)C)ccc2)O)sc3)c1scc(n1)C(=O)NC(=C)C(=O)N)[C@H](O)C)/C" . "CO/C(=C/1/NC(=O)[C@@H](NC(=O)c2csc(n2)c2cc(O)c(nc2c2csc(n2)[C@H]2NC(=O)c3nc([C@@H](NC(=O)c4nc1sc4)[C@@H]1OCc4c(C(=O)OC2)n(c2c4c(COC(=O)[C@H]1O[C@@H]1O[C@@H](C)[C@@H]4[C@@](C1)(C)OC(N4C)C)ccc2)O)sc3)c1scc(n1)C(=O)NC(=C)C(=O)N)[C@H](O)C)/C" . "LPGAAUZJQIRAAG-CAYKKMKNSA-N" . "InChI=1S/C62H60N14O18S5/c1-22(49(63)79)64-50(80)32-19-98-58(69-32)43-37(78)12-28-42(71-43)31-17-96-56(66-31)30-16-91-60(85)45-29-15-89-46(47(61(86)90-14-27-10-9-11-36(39(27)29)76(45)87)93-38-13-62(6)48(25(4)92-38)75(7)26(5)94-62)44(59-70-33(20-99-59)51(81)65-30)74-53(83)35-21-97-57(68-35)41(24(3)88-8)73-54(84)40(23(2)77)72-52(82)34-18-95-55(28)67-34/h9-12,17-21,23,25-26,30,38,40,44,46-48,77-78,87H,1,13-16H2,2-8H3,(H2,63,79)(H,64,80)(H,65,81)(H,72,82)(H,73,84)(H,74,83)/b41-24+/t23-,25+,26?,30+,38+,40+,44+,46+,47+,48-,62+/m1/s1" . "NCCCCN1C(=O)NC(C(O)C)C(=O)NC(C(=O)NC(C(=O)NC(C(O)C)C(=O)NC(CCCNC(=O)N)C(=O)NC(CC2CNC(=N2)N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(=O)NC(C(=O)NC(C(=O)NC(C(=O)OC(C(C(=O)NC(C1=O)c1ccc(cc1)O)NC(=O)C(NC(=O)/C=C/C=C/CCCCC(CC)C)CC(=O)O)C)c1ccc(cc1)O)C)CC1CNC(=N1)N)c1cc(Cl)c(c(c1)Cl)O)CO)c1ccc(cc1)O)c1ccc(cc1)O)c1ccc(cc1)O" . "NCCCCN1C(=O)NC(C(O)C)C(=O)NC(C(=O)NC(C(=O)NC(C(O)C)C(=O)NC(CCCNC(=O)N)C(=O)NC(CC2CNC(=N2)N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(=O)NC(C(=O)NC(C(=O)NC(C(=O)OC(C(C(=O)NC(C1=O)c1ccc(cc1)O)NC(=O)C(NC(=O)/C=C/C=C/CCCCC(CC)C)CC(=O)O)C)c1ccc(cc1)O)C)CC1CNC(=N1)N)c1cc(Cl)c(c(c1)Cl)O)CO)c1ccc(cc1)O)c1ccc(cc1)O)c1ccc(cc1)O" . "QKXQEKZXVMLAMO-JDCCHMEXSA-N" . "InChI=1S/C107H138Cl2N26O31/c1-7-51(2)17-12-10-8-9-11-13-19-76(144)120-74(47-77(145)146)92(152)126-80-55(6)166-102(162)86(60-28-38-68(143)39-29-60)132-88(148)52(3)117-90(150)73(46-63-49-116-104(112)119-63)124-106(164)134-100(160)84(61-43-69(108)87(147)70(109)44-61)128-93(153)75(50-136)123-97(157)81(56-20-30-64(139)31-21-56)127-91(151)72(45-62-48-115-103(111)118-62)122-89(149)71(18-16-41-114-105(113)163)121-94(154)78(53(4)137)125-98(158)82(57-22-32-65(140)33-23-57)130-99(159)83(58-24-34-66(141)35-25-58)129-95(155)79(54(5)138)133-107(165)135(42-15-14-40-110)101(161)85(131-96(80)156)59-26-36-67(142)37-27-59/h9,11,13,19-39,43-44,51-55,62-63,71-75,78-86,136-143,147H,7-8,10,12,14-18,40-42,45-50,110H2,1-6H3,(H,117,150)(H,120,144)(H,121,154)(H,122,149)(H,123,157)(H,125,158)(H,126,152)(H,127,151)(H,128,153)(H,129,155)(H,130,159)(H,131,156)(H,132,148)(H,133,165)(H,145,146)(H3,111,115,118)(H3,112,116,119)(H3,113,114,163)(H2,124,134,160,164)/b11-9+,19-13+" . "CNC(=O)c1cccc(c1)NC(=O)Cc1ccc2c(c1)cccc2" . "CNC(=O)c1cccc(c1)NC(=O)Cc1ccc2c(c1)cccc2" . "VQVCFYIDCWPSNE-UHFFFAOYSA-N" . "InChI=1S/C20H18N2O2/c1-21-20(24)17-7-4-8-18(13-17)22-19(23)12-14-9-10-15-5-2-3-6-16(15)11-14/h2-11,13H,12H2,1H3,(H,21,24)(H,22,23)" . "OCC(C(=O)N1CC[C@H]([C@H]1C(=O)N[C@H]1COC(=O)c2c(C)c(O)cc(c2CSC[C@H](NC1=O)C(=O)N[C@H](C(=O)O)C)O)O)N" . "OCC(C(=O)N1CC[C@H]([C@H]1C(=O)N[C@H]1COC(=O)c2c(C)c(O)cc(c2CSC[C@H](NC1=O)C(=O)N[C@H](C(=O)O)C)O)O)N" . "HMHQWJDFNVJCHA-ZPGBQQFCSA-N" . "InChI=1S/C26H35N5O12S/c1-10-17(34)5-18(35)12-8-44-9-15(22(37)28-11(2)25(40)41)30-21(36)14(7-43-26(42)19(10)12)29-23(38)20-16(33)3-4-31(20)24(39)13(27)6-32/h5,11,13-16,20,32-35H,3-4,6-9,27H2,1-2H3,(H,28,37)(H,29,38)(H,30,36)(H,40,41)/t11-,13?,14-,15-,16+,20-/m0/s1" . "CCCOc1ccc(cc1NCc1cnc2c(c1C)c(N)nc(n2)N)OCC" . "CCCOc1ccc(cc1NCc1cnc2c(c1C)c(N)nc(n2)N)OCC" . "SZAZJRVSIHGLCG-UHFFFAOYSA-N" . "InChI=1S/C20H26N6O2/c1-4-8-28-16-7-6-14(27-5-2)9-15(16)23-10-13-11-24-19-17(12(13)3)18(21)25-20(22)26-19/h6-7,9,11,23H,4-5,8,10H2,1-3H3,(H4,21,22,24,25,26)" . "CCOc1ccc(c(c1)NCc1cnc2c(c1C)c(N)nc(n2)N)OC" . "CCOc1ccc(c(c1)NCc1cnc2c(c1C)c(N)nc(n2)N)OC" . "CRZVJULBIPRHRY-UHFFFAOYSA-N" . "InChI=1S/C18H22N6O2/c1-4-26-12-5-6-14(25-3)13(7-12)21-8-11-9-22-17-15(10(11)2)16(19)23-18(20)24-17/h5-7,9,21H,4,8H2,1-3H3,(H4,19,20,22,23,24)" . "CO[C@H]1CN(CC[C@H]1NC(=O)c1nc(c([nH]1)CC)Cl)c1nnc(s1)C(O)(C)C" . "CO[C@H]1CN(CC[C@H]1NC(=O)c1nc(c([nH]1)CC)Cl)c1nnc(s1)C(O)(C)C" . "RFKLYBAHWNXIDR-MNOVXSKESA-N" . "InChI=1S/C17H25ClN6O3S/c1-5-9-12(18)21-13(19-9)14(25)20-10-6-7-24(8-11(10)27-4)16-23-22-15(28-16)17(2,3)26/h10-11,26H,5-8H2,1-4H3,(H,19,21)(H,20,25)/t10-,11+/m1/s1" . "Nc1cccc(c1C)Cn1ccc(cc1=O)OCCc1cccs1" . "Nc1cccc(c1C)Cn1ccc(cc1=O)OCCc1cccs1" . "YCLREGRRHGLOAK-UHFFFAOYSA-N" . "InChI=1S/C19H20N2O2S/c1-14-15(4-2-6-18(14)20)13-21-9-7-16(12-19(21)22)23-10-8-17-5-3-11-24-17/h2-7,9,11-12H,8,10,13,20H2,1H3" . "O=C(c1ncccc1O)OB(c1ccc(c(c1)Cl)C)c1ccc(c(c1)Cl)C" . "O=C(c1ncccc1O)OB(c1ccc(c(c1)Cl)C)c1ccc(c(c1)Cl)C" . "ZTLSOLUCMQEGEA-UHFFFAOYSA-N" . "InChI=1S/C20H16BCl2NO3/c1-12-5-7-14(10-16(12)22)21(15-8-6-13(2)17(23)11-15)27-20(26)19-18(25)4-3-9-24-19/h3-11,25H,1-2H3" . "COc1c(N2C[C](C3(C2)CC3)N)c(F)cc2c1n(cc(c2=O)C(=O)O)[C@@H]1C[C@@H]1F" . "COc1c(N2C[C](C3(C2)CC3)N)c(F)cc2c1n(cc(c2=O)C(=O)O)[C@@H]1C[C@@H]1F" . "CWRHFWJFDKNNCM-WCQYABFASA-N" . "InChI=1S/C20H20F2N3O4/c1-29-18-15-9(17(26)10(19(27)28)6-25(15)13-5-11(13)21)4-12(22)16(18)24-7-14(23)20(8-24)2-3-20/h4,6,11,13H,2-3,5,7-8,23H2,1H3,(H,27,28)/t11-,13+/m0/s1" . "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@@H]2[C@]1(C)OC(=O)[C@H]2SCCn1cnc2c1nccc2)C)C)(C)OC" . "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@@H]2[C@]1(C)OC(=O)[C@H]2SCCn1cnc2c1nccc2)C)C)(C)OC" . "HTEVRIKKCSOLOA-AKGQNOEZSA-N" . "InChI=1S/C48H76N4O13S/c1-15-33-48(10)35(39(44(57)65-48)66-20-19-52-24-50-31-17-16-18-49-42(31)52)27(4)36(53)25(2)22-47(9,59-14)41(64-45-37(54)32(51(11)12)21-26(3)60-45)28(5)38(29(6)43(56)62-33)63-34-23-46(8,58-13)40(55)30(7)61-34/h16-18,24-30,32-35,37-41,45,54-55H,15,19-23H2,1-14H3/t25-,26-,27-,28+,29-,30+,32+,33-,34+,35+,37-,38+,39+,40+,41-,45+,46-,47-,48-/m1/s1" . "C=CCN1C[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]([C@H]([C@@H]([C@H]([C@](C[C@H]1C)(C)O)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C)C)O[C@@H]1O[C@@H](C)[C@@H]([C@](C1)(C)OC)O)C" . "C=CCN1C[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]([C@H]([C@@H]([C@H]([C@](C[C@H]1C)(C)O)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C)C)O[C@@H]1O[C@@H](C)[C@@H]([C@](C1)(C)OC)O)C" . "ZZRQNCPNJLVUMK-UZSBJOJWSA-N" . "InChI=1S/C40H74N2O12/c1-15-17-42-21-22(3)33(44)40(11,48)29(16-2)52-36(46)26(7)32(53-30-20-39(10,49-14)34(45)27(8)51-30)25(6)35(38(9,47)19-23(42)4)54-37-31(43)28(41(12)13)18-24(5)50-37/h15,22-35,37,43-45,47-48H,1,16-21H2,2-14H3/t22-,23+,24+,25-,26+,27-,28-,29+,30-,31+,32-,33+,34-,35+,37-,38+,39+,40+/m0/s1" . "CNC(C(=O)NC(C(NC(C(=O)O)Cc1cnc[nH]1)C)C(=O)O)Cc1cnc[nH]1" . "CNC(C(=O)NC(C(NC(C(=O)O)Cc1cnc[nH]1)C)C(=O)O)Cc1cnc[nH]1" . "LUOBEJSTJAVJPL-UHFFFAOYSA-N" . "InChI=1S/C17H25N7O5/c1-9(23-13(16(26)27)4-11-6-20-8-22-11)14(17(28)29)24-15(25)12(18-2)3-10-5-19-7-21-10/h5-9,12-14,18,23H,3-4H2,1-2H3,(H,19,21)(H,20,22)(H,24,25)(H,26,27)(H,28,29)" . "O[C@H]1C[C@@H]2CC(=O)/C(=C/[C@H]3[C@@H](C1)C=C[C@H]1[C@@H]3C[C@H](C1=O)C)/C(=O)O2" . "O[C@H]1C[C@@H]2CC(=O)/C(=C/[C@H]3[C@@H](C1)C=C[C@H]1[C@@H]3C[C@H](C1=O)C)/C(=O)O2" . "BYUKEFZLYIFNCB-MDRYBKLPSA-N" . "InChI=1S/C19H22O5/c1-9-4-15-13(18(9)22)3-2-10-5-11(20)6-12-7-17(21)16(8-14(10)15)19(23)24-12/h2-3,8-15,20H,4-7H2,1H3/b16-8+/t9-,10-,11-,12-,13+,14+,15+/m1/s1" . "CC(=O)NC[C@@H]1OC(=O)N(C1)c1cc(F)c(c(c1)F)N1CCS(=O)(=O)CC1" . "CC(=O)NC[C@@H]1OC(=O)N(C1)c1cc(F)c(c(c1)F)N1CCS(=O)(=O)CC1" . "HSGZLFWXBIVLBD-LBPRGKRZSA-N" . "InChI=1S/C16H19F2N3O5S/c1-10(22)19-8-12-9-21(16(23)26-12)11-6-13(17)15(14(18)7-11)20-2-4-27(24,25)5-3-20/h6-7,12H,2-5,8-9H2,1H3,(H,19,22)/t12-/m0/s1" . "CCC1(CCCCN(C1)C)c1cccc(c1)O" . "CCC1(CCCCN(C1)C)c1cccc(c1)O" . "JLICHNCFTLFZJN-UHFFFAOYSA-N" . "InChI=1S/C15H23NO/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13/h6-8,11,17H,3-5,9-10,12H2,1-2H3" . "Nc1nc(N)c2c(n1)ccc1c2ccn1Cc1ccc(cc1)c1ccccc1" . "Nc1nc(N)c2c(n1)ccc1c2ccn1Cc1ccc(cc1)c1ccccc1" . "CKQXMSDRDDHCOR-UHFFFAOYSA-N" . "InChI=1S/C23H19N5/c24-22-21-18-12-13-28(20(18)11-10-19(21)26-23(25)27-22)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-13H,14H2,(H4,24,25,26,27)" . "CC[C@@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1[C@H](C)OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C)C[C@H]1CN=C(N1)N)[C@H](CC)C)CO)[C@H](CC)C)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](Cc1ccccc1)NC)CO)CCC(=O)N)C" . "CC[C@@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1[C@H](C)OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C)C[C@H]1CN=C(N1)N)[C@H](CC)C)CO)[C@H](CC)C)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](Cc1ccccc1)NC)CO)CCC(=O)N)C" . "LMBFAGIMSUYTBN-MPZNNTNKSA-N" . "InChI=1S/C58H95N15O15/c1-12-28(5)42(70-49(79)37(61-11)23-34-19-17-16-18-20-34)53(83)67-39(26-74)51(81)65-36(21-22-41(59)76)48(78)69-44(30(7)14-3)55(85)71-43(29(6)13-2)54(84)68-40(27-75)52(82)73-46-33(10)88-57(87)45(31(8)15-4)72-50(80)38(24-35-25-62-58(60)64-35)66-47(77)32(9)63-56(46)86/h16-20,28-33,35-40,42-46,61,74-75H,12-15,21-27H2,1-11H3,(H2,59,76)(H,63,86)(H,65,81)(H,66,77)(H,67,83)(H,68,84)(H,69,78)(H,70,79)(H,71,85)(H,72,80)(H,73,82)(H3,60,62,64)/t28-,29-,30-,31-,32-,33-,35-,36+,37+,38-,39-,40-,42-,43-,44+,45-,46+/m0/s1" . "CC(c1ccc(cc1)Cn1ccc2c1ccc1c2c(N)nc(n1)NC1CC1)C" . "CC(c1ccc(cc1)Cn1ccc2c1ccc1c2c(N)nc(n1)NC1CC1)C" . "AVXQPEKZIGPIJW-UHFFFAOYSA-N" . "InChI=1S/C23H25N5/c1-14(2)16-5-3-15(4-6-16)13-28-12-11-18-20(28)10-9-19-21(18)22(24)27-23(26-19)25-17-7-8-17/h3-6,9-12,14,17H,7-8,13H2,1-2H3,(H3,24,25,26,27)" . "OCC1NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(OC1=O)c1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)N)CC(C)C)C(C(C)C)O)CC(C)C)CCCN=C(N)N)C(CC)C)C(O)C)C(C(=O)N)O" . "OCC1NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(OC1=O)c1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)N)CC(C)C)C(C(C)C)O)CC(C)C)CCCN=C(N)N)C(CC)C)C(O)C)C(C(=O)N)O" . "KQMKBWMQSNKASI-UHFFFAOYSA-N" . "InChI=1S/C58H97N15O17/c1-12-30(10)39-53(85)71-40(31(11)75)52(84)64-24-38(76)69-42(45(78)47(60)79)55(87)68-37(25-74)57(89)90-46(32-17-14-13-15-18-32)43(73-51(83)36(23-28(6)7)66-48(80)33(59)21-26(2)3)56(88)72-41(44(77)29(8)9)54(86)67-35(22-27(4)5)50(82)65-34(49(81)70-39)19-16-20-63-58(61)62/h13-15,17-18,26-31,33-37,39-46,74-75,77-78H,12,16,19-25,59H2,1-11H3,(H2,60,79)(H,64,84)(H,65,82)(H,66,80)(H,67,86)(H,68,87)(H,69,76)(H,70,81)(H,71,85)(H,72,88)(H,73,83)(H4,61,62,63)" . "NCCC[C@@H](CC(=O)N[C@@H]1CC=C(O[C@@H]1O[C@@H]1[C@@H](N)[C@H](O)[C@H]([C@H]([C@H]1O)NC)OC)CN)N" . "NCCC[C@@H](CC(=O)N[C@@H]1CC=C(O[C@@H]1O[C@@H]1[C@@H](N)[C@H](O)[C@H]([C@H]([C@H]1O)NC)OC)CN)N" . "WTENXKAJCSHCNH-QJSCRMMJSA-N" . "InChI=1S/C20H40N6O6/c1-25-15-17(29)18(14(24)16(28)19(15)30-2)32-20-12(6-5-11(9-22)31-20)26-13(27)8-10(23)4-3-7-21/h5,10,12,14-20,25,28-29H,3-4,6-9,21-24H2,1-2H3,(H,26,27)/t10-,12+,14-,15-,16-,17+,18+,19-,20+/m0/s1" . "OCC1OC(Oc2c3Oc4ccc(cc4)C(OC4CC(C)(N)C(C(O4)C)O)C4NC(=O)C(NC(=O)C5c(c3)cc2Oc2ccc(cc2Cl)C(O)C(C(=O)NC(C(=O)N5)CC(=O)N)NC(=O)C(CC(C)C)NC)c2ccc(c(c2)c2c(C(NC4=O)C(=O)O)cc(cc2O)O)O)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O" . "OCC1OC(Oc2c3Oc4ccc(cc4)C(OC4CC(C)(N)C(C(O4)C)O)C4NC(=O)C(NC(=O)C5c(c3)cc2Oc2ccc(cc2Cl)C(O)C(C(=O)NC(C(=O)N5)CC(=O)N)NC(=O)C(CC(C)C)NC)c2ccc(c(c2)c2c(C(NC4=O)C(=O)O)cc(cc2O)O)O)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O" . "SJSZMXQSCZCGFO-UHFFFAOYSA-N" . "InChI=1S/C72H86ClN9O28/c1-25(2)15-37(76-6)63(95)81-51-54(89)30-10-14-41(36(73)17-30)106-43-19-31-18-42(60(43)109-71-61(57(92)55(90)44(24-83)107-71)110-70-58(93)56(91)53(88)26(3)104-70)105-33-11-7-28(8-12-33)59(108-46-23-72(5,75)62(94)27(4)103-46)52-68(100)80-50(69(101)102)35-20-32(84)21-40(86)47(35)34-16-29(9-13-39(34)85)48(65(97)82-52)79-66(98)49(31)78-64(96)38(22-45(74)87)77-67(51)99/h7-14,16-21,25-27,37-38,44,46,48-59,61-62,70-71,76,83-86,88-94H,15,22-24,75H2,1-6H3,(H2,74,87)(H,77,99)(H,78,96)(H,79,98)(H,80,100)(H,81,95)(H,82,97)(H,101,102)" . "CC[C@@H](C(=O)C(=O)N[C@@H](C(=O)N(C(=O)[C@H](C(CC(=O)[C@H](C(C)C)N)C)N)[C@H](C(=O)O)C(C)C)CC(C)C)N" . "CC[C@@H](C(=O)C(=O)N[C@@H](C(=O)N(C(=O)[C@H](C(CC(=O)[C@H](C(C)C)N)C)N)[C@H](C(=O)O)C(C)C)CC(C)C)N" . "UNPBSZUDTFBULK-CZCKBYKRSA-N" . "InChI=1S/C26H47N5O7/c1-9-16(27)22(33)23(34)30-17(10-12(2)3)24(35)31(21(14(6)7)26(37)38)25(36)20(29)15(8)11-18(32)19(28)13(4)5/h12-17,19-21H,9-11,27-29H2,1-8H3,(H,30,34)(H,37,38)/t15?,16-,17+,19-,20-,21-/m0/s1" . "O=CN(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)c1cc(O)cc(c1)NC1(C)NC(=O)C(C(C1(O)CO)N)C(=N)OC)[O-])[O-])[O-].[Fe+3]" . "O=CN(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)c1cc(O)cc(c1)NC1(C)NC(=O)C(C(C1(O)CO)N)C(=N)OC)[O-])[O-])[O-].[Fe+3]" . "GYDPFTRJZUGPNF-UHFFFAOYSA-N" . "InChI=1S/C40H63N10O14.Fe/c1-39(40(60,25-51)35(41)34(36(42)64-2)38(59)47-39)46-28-22-27(23-29(53)24-28)37(58)45-18-8-5-11-21-50(63)33(57)15-13-31(55)44-17-7-4-10-20-49(62)32(56)14-12-30(54)43-16-6-3-9-19-48(61)26-52;/h22-24,26,34-35,42,46,51,53,60H,3-21,25,41H2,1-2H3,(H,43,54)(H,44,55)(H,45,58)(H,47,59);/q-3;+3" . "OC(=O)C(C1CC(C2N1C2)N=C(N)N)NC(=O)C(C(C)C)N" . "OC(=O)C(C1CC(C2N1C2)N=C(N)N)NC(=O)C(C(C)C)N" . "DGIHWRUPUISVIZ-UHFFFAOYSA-N" . "InChI=1S/C13H24N6O3/c1-5(2)9(14)11(20)18-10(12(21)22)7-3-6(17-13(15)16)8-4-19(7)8/h5-10H,3-4,14H2,1-2H3,(H,18,20)(H,21,22)(H4,15,16,17)" . "COC1CC(OC(C1O)C)OC1C(C)OC(CC1(C)N(C)C)c1ccc2c(c1O)C(=O)c1c(C2=O)cc(c2c1oc(cc2=O)C1(C)OC1C)C(C1OC(C)C(C(C1O)OC)O)(C(=O)OC)O" . "COC1CC(OC(C1O)C)OC1C(C)OC(CC1(C)N(C)C)c1ccc2c(c1O)C(=O)c1c(C2=O)cc(c2c1oc(cc2=O)C1(C)OC1C)C(C1OC(C)C(C(C1O)OC)O)(C(=O)OC)O" . "FAGGWQMBDCZCOI-UHFFFAOYSA-N" . "InChI=1S/C47H59NO18/c1-18-34(50)27(58-9)16-30(62-18)65-42-20(3)61-28(17-45(42,5)48(7)8)22-12-13-23-31(37(22)53)38(54)32-24(36(23)52)14-25(33-26(49)15-29(64-40(32)33)46(6)21(4)66-46)47(57,44(56)60-11)43-39(55)41(59-10)35(51)19(2)63-43/h12-15,18-21,27-28,30,34-35,39,41-43,50-51,53,55,57H,16-17H2,1-11H3" . "NCC1=C(C(=O)O)N2[C@H](S1)[C@H](C2=O)[C@H](O)C" . "NCC1=C(C(=O)O)N2[C@H](S1)[C@H](C2=O)[C@H](O)C" . "RXCNILVLOHRALM-UWBRJAPDSA-N" . "InChI=1S/C9H12N2O4S/c1-3(12)5-7(13)11-6(9(14)15)4(2-10)16-8(5)11/h3,5,8,12H,2,10H2,1H3,(H,14,15)/t3-,5+,8-/m1/s1" . "Clc1c(Cl)cc(c(c1Cl)n1ccc(c1Cl)Cl)O" . "Clc1c(Cl)cc(c(c1Cl)n1ccc(c1Cl)Cl)O" . "VQUHAXJBUPCVDX-UHFFFAOYSA-N" . "InChI=1S/C10H4Cl5NO/c11-4-1-2-16(10(4)15)9-6(17)3-5(12)7(13)8(9)14/h1-3,17H" . "CN[C@@H]1[C@H]2O[C@]3(O)[C@H](O[C@@H]2[C@H]([C@@H]([C@@H]1O)NC)O)O[C@@H](C=C3OC)C" . "CN[C@@H]1[C@H]2O[C@]3(O)[C@H](O[C@@H]2[C@H]([C@@H]([C@@H]1O)NC)O)O[C@@H](C=C3OC)C" . "JXUOVTMVWNHOAJ-XLBYJKOOSA-N" . "InChI=1S/C15H26N2O7/c1-6-5-7(21-4)15(20)14(22-6)23-13-11(19)8(16-2)10(18)9(17-3)12(13)24-15/h5-6,8-14,16-20H,1-4H3/t6-,8-,9+,10+,11+,12-,13-,14+,15+/m1/s1" . "CC(=O)NCC1CN(C(=O)O1)c1ccc(cc1)C(=O)C" . "CC(=O)NCC1CN(C(=O)O1)c1ccc(cc1)C(=O)C" . "POXUJOYUVLWPQN-UHFFFAOYSA-N" . "InChI=1S/C14H16N2O4/c1-9(17)11-3-5-12(6-4-11)16-8-13(20-14(16)19)7-15-10(2)18/h3-6,13H,7-8H2,1-2H3,(H,15,18)" . "O=C(c1cc(ccc1F)[C@@H]1CCNC[C@H]1COc1ccc2c(c1)OCO2)NCc1[nH]nc2c1cccc2" . "O=C(c1cc(ccc1F)[C@@H]1CCNC[C@H]1COc1ccc2c(c1)OCO2)NCc1[nH]nc2c1cccc2" . "KGSBEYKVWODBRD-ICSRJNTNSA-N" . "InChI=1S/C28H27FN4O4/c29-23-7-5-17(11-22(23)28(34)31-14-25-21-3-1-2-4-24(21)32-33-25)20-9-10-30-13-18(20)15-35-19-6-8-26-27(12-19)37-16-36-26/h1-8,11-12,18,20,30H,9-10,13-16H2,(H,31,34)(H,32,33)/t18-,20-/m0/s1" . "SC[C@@H](C(=O)O)NC(=O)C" . "SC[C@@H](C(=O)O)NC(=O)C" . "PWKSKIMOESPYIA-BYPYZUCNSA-N" . "InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1" . "NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@H]([C@@H]([C@H]2O)O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)N)O)N)[C@@H](C[C@@H]1O)N" . "NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@H]([C@@H]([C@H]2O)O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)N)O)N)[C@@H](C[C@@H]1O)N" . "NLVFBUXFDBBNBW-PBSUHMDJSA-N" . "InChI=1S/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1" . "OC[C@H]1O[C@@H](Oc2c3Oc4ccc(cc4)[C@@H](O[C@@H]4O[C@@H](C)[C@@H]([C@@](C4)(C)N)O)[C@@H]4NC(=O)[C@H](NC(=O)[C@H]5c(c3)cc2Oc2ccc(cc2Cl)[C@@H](O)[C@H](C(=O)N[C@H](C(=O)N5)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)c2ccc(c(c2)c2c([C@H](NC4=O)C(=O)O)cc(cc2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@@](C1)(C)N)O" . "OC[C@H]1O[C@@H](Oc2c3Oc4ccc(cc4)[C@@H](O[C@@H]4O[C@@H](C)[C@@H]([C@@](C4)(C)N)O)[C@@H]4NC(=O)[C@H](NC(=O)[C@H]5c(c3)cc2Oc2ccc(cc2Cl)[C@@H](O)[C@H](C(=O)N[C@H](C(=O)N5)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)c2ccc(c(c2)c2c([C@H](NC4=O)C(=O)O)cc(cc2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@@](C1)(C)N)O" . "UECIPBUIMXSXEI-BNSVOVDNSA-N" . "InChI=1S/C73H89ClN10O26/c1-27(2)16-39(78-7)64(95)83-54-56(90)32-11-15-43(38(74)18-32)106-45-20-33-19-44(60(45)110-71-61(58(92)57(91)46(26-85)107-71)109-49-25-73(6,77)63(94)29(4)104-49)105-35-12-8-30(9-13-35)59(108-48-24-72(5,76)62(93)28(3)103-48)55-69(100)82-53(70(101)102)37-21-34(86)22-42(88)50(37)36-17-31(10-14-41(36)87)51(66(97)84-55)81-67(98)52(33)80-65(96)40(23-47(75)89)79-68(54)99/h8-15,17-22,27-29,39-40,46,48-49,51-59,61-63,71,78,85-88,90-94H,16,23-26,76-77H2,1-7H3,(H2,75,89)(H,79,99)(H,80,96)(H,81,98)(H,82,100)(H,83,95)(H,84,97)(H,101,102)/t28-,29-,39+,40-,46+,48-,49-,51+,52+,53-,54+,55-,56+,57+,58-,59+,61+,62-,63-,71-,72-,73-/m0/s1" . "CN(C1CC(OC(C1O)C)c1cc(C2OC(C)C(C(C2)(C)N(C)C)O)c(c2c1C(=O)c1cc(C)c3c(c1C2=O)oc(cc3=O)C1(C)OC1C1OC1C)O)C" . "CN(C1CC(OC(C1O)C)c1cc(C2OC(C)C(C(C2)(C)N(C)C)O)c(c2c1C(=O)c1cc(C)c3c(c1C2=O)oc(cc3=O)C1(C)OC1C1OC1C)O)C" . "RZOFHOWMWMTHDX-UHFFFAOYSA-N" . "InChI=1S/C41H50N2O11/c1-16-11-22-30(37-28(16)24(44)14-27(53-37)41(6)39(54-41)36-18(3)52-36)35(48)31-29(34(22)47)20(25-13-23(42(7)8)32(45)17(2)50-25)12-21(33(31)46)26-15-40(5,43(9)10)38(49)19(4)51-26/h11-12,14,17-19,23,25-26,32,36,38-39,45-46,49H,13,15H2,1-10H3" . "CNC(=O)c1n[se]nc1N" . "CNC(=O)c1n[se]nc1N" . "KVRRSRDUIXUGCU-UHFFFAOYSA-N" . "InChI=1S/C4H6N4OSe/c1-6-4(9)2-3(5)8-10-7-2/h1H3,(H2,5,8)(H,6,9)" . "NC(=O)c1n[se]nc1N" . "NC(=O)c1n[se]nc1N" . "MTHSSXGAJGDHBL-UHFFFAOYSA-N" . "InChI=1S/C3H4N4OSe/c4-2-1(3(5)8)6-9-7-2/h(H2,4,7)(H2,5,8)" . "Fc1cc2c(=O)c(cn(c2c(c1N1C[C@@]2([C@@](C1)(N)CCC2)F)C)[C@@H]1C[C@@H]1F)C(=O)O" . "Fc1cc2c(=O)c(cn(c2c(c1N1C[C@@]2([C@@](C1)(N)CCC2)F)C)[C@@H]1C[C@@H]1F)C(=O)O" . "JMXNWTLVUUGTDR-UTQQSMSJSA-N" . "InChI=1S/C21H22F3N3O3/c1-10-16-11(18(28)12(19(29)30)7-27(16)15-6-13(15)22)5-14(23)17(10)26-8-20(24)3-2-4-21(20,25)9-26/h5,7,13,15H,2-4,6,8-9,25H2,1H3,(H,29,30)/t13-,15+,20-,21+/m0/s1" . "OC[C@@H]1O[C@@H](OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCC2=NC(CS2)c2scc(n2)C(=O)N)C(=O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(CC(=O)N)NCC(C(=O)N)N)c2[nH]cnc2)[C@@]([C@H]([C@@H]1O)O)(C)O[C@@H]1OC(CO)[C@@H]([C@]([C@H]1O)(O)C(=O)N)O" . "OC[C@@H]1O[C@@H](OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCC2=NC(CS2)c2scc(n2)C(=O)N)C(=O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(CC(=O)N)NCC(C(=O)N)N)c2[nH]cnc2)[C@@]([C@H]([C@@H]1O)O)(C)O[C@@H]1OC(CO)[C@@H]([C@]([C@H]1O)(O)C(=O)N)O" . "QRBLKGHRWFGINE-UGWAGOLRSA-N" . "InChI=1S/C51H75N17O21S2/c1-16-29(65-41(68-38(16)54)21(8-27(53)72)60-9-20(52)39(55)78)44(82)67-31(34(22-10-58-15-61-22)88-49-50(5,36(76)33(74)25(11-69)87-49)89-47-37(77)51(85,48(57)84)35(75)26(12-70)86-47)45(83)62-18(3)32(73)17(2)42(80)66-30(19(4)71)43(81)59-7-6-28-63-24(14-90-28)46-64-23(13-91-46)40(56)79/h10,13,15,17-18,20-21,24-26,30-37,47,49,60,69-70,73-77,85H,6-9,11-12,14,52H2,1-5H3,(H2,53,72)(H2,55,78)(H2,56,79)(H2,57,84)(H,58,61)(H,59,81)(H,62,83)(H,66,80)(H,67,82)(H2,54,65,68)/t17?,18?,20?,21?,24?,25-,26?,30?,31?,32?,33+,34?,35-,36-,37-,47-,49-,50-,51+/m0/s1" . "COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O" . "COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O" . "AIONOLUJZLIMTK-AWEZNQCLSA-N" . "InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1" . "CCOC(=O)C(=O)CBr" . "CCOC(=O)C(=O)CBr" . "VICYTAYPKBLQFB-UHFFFAOYSA-N" . "InChI=1S/C5H7BrO3/c1-2-9-5(8)4(7)3-6/h2-3H2,1H3" . "OC[C@H]1NC(O)[C@@H]([C@H]([C@@H]1O)O)O" . "OC[C@H]1NC(O)[C@@H]([C@H]([C@@H]1O)O)O" . "BGMYHTUCJVZIRP-GASJEMHNSA-N" . "InChI=1S/C6H13NO5/c8-1-2-3(9)4(10)5(11)6(12)7-2/h2-12H,1H2/t2-,3-,4+,5-,6?/m1/s1" . "CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(cc1)S(=O)C" . "CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(cc1)S(=O)C" . "RYTTWOVTZKVWTO-ZOZMEPSFSA-N" . "InChI=1S/C13H16N2O4S/c1-9(16)14-7-11-8-15(13(17)19-11)10-3-5-12(6-4-10)20(2)18/h3-6,11H,7-8H2,1-2H3,(H,14,16)/t11-,20?/m0/s1" . "CC/C(=C/C=C/[C@@H]1C=C[C@H]2[C@H]([C@@H]1C(=O)c1[nH]ccc1)CC[C@@H]2CC)/[C@@H]1O[C@H](CC[C@@H]1C)[C@H](C(=O)O)C" . "CC/C(=C/C=C/[C@@H]1C=C[C@H]2[C@H]([C@@H]1C(=O)c1[nH]ccc1)CC[C@@H]2CC)/[C@@H]1O[C@H](CC[C@@H]1C)[C@H](C(=O)O)C" . "BAIPOTOKPGDCHA-MWBHXQFBSA-N" . "InChI=1S/C31H43NO4/c1-5-21-13-16-25-24(21)15-14-23(28(25)29(33)26-11-8-18-32-26)10-7-9-22(6-2)30-19(3)12-17-27(36-30)20(4)31(34)35/h7-11,14-15,18-21,23-25,27-28,30,32H,5-6,12-13,16-17H2,1-4H3,(H,34,35)/b10-7+,22-9+/t19-,20+,21-,23+,24+,25+,27+,28+,30+/m0/s1" . "N[C@H]1C[C@@H](N)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H]([C@H](O)C)[C@H]([C@@H]([C@H]1N)O)O)O[C@@H]1O[C@@H]([C@H]([C@H]1O)O)[C@@H](N)C)O" . "N[C@H]1C[C@@H](N)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H]([C@H](O)C)[C@H]([C@@H]([C@H]1N)O)O)O[C@@H]1O[C@@H]([C@H]([C@H]1O)O)[C@@H](N)C)O" . "KJBRSTPUILEBDR-DBMIJKFDSA-N" . "InChI=1S/C19H38N4O10/c1-4(20)14-12(28)13(29)19(30-14)33-17-9(25)6(21)3-7(22)16(17)32-18-8(23)10(26)11(27)15(31-18)5(2)24/h4-19,24-29H,3,20-23H2,1-2H3/t4-,5+,6+,7-,8+,9-,10+,11-,12-,13+,14+,15+,16+,17+,18+,19-/m0/s1" . "CCc1ccc(c(c1)CN(Cc1cc(CC)ccc1O)C)O" . "CCc1ccc(c(c1)CN(Cc1cc(CC)ccc1O)C)O" . "COZATXGXDYUQGG-UHFFFAOYSA-N" . "InChI=1S/C19H25NO2/c1-4-14-6-8-18(21)16(10-14)12-20(3)13-17-11-15(5-2)7-9-19(17)22/h6-11,21-22H,4-5,12-13H2,1-3H3" . "OCc1ccc(o1)C=O" . "OCc1ccc(o1)C=O" . "NOEGNKMFWQHSLB-UHFFFAOYSA-N" . "InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2" . "OC(=O)COc1c(C)cc(cc1C)c1nc2c(o1)nc(nc2)Oc1cccc(c1)Cl" . "OC(=O)COc1c(C)cc(cc1C)c1nc2c(o1)nc(nc2)Oc1cccc(c1)Cl" . "WRBZNIUFAKIIQG-UHFFFAOYSA-N" . "InChI=1S/C21H16ClN3O5/c1-11-6-13(7-12(2)18(11)28-10-17(26)27)19-24-16-9-23-21(25-20(16)30-19)29-15-5-3-4-14(22)8-15/h3-9H,10H2,1-2H3,(H,26,27)" . "CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)N" . "CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)N" . "WZOZEZRFJCJXNZ-ZBFHGGJFSA-N" . "InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1" . "CO[C@@]1(NC(=O)C2SC(=C(C(=O)O)C(=O)N)S2)C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C" . "CO[C@@]1(NC(=O)C2SC(=C(C(=O)O)C(=O)N)S2)C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C" . "SRZNHPXWXCNNDU-RHBCBLIFSA-N" . "InChI=1S/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)/t13?,15-,17+/m1/s1" . "O=C1NC(=O)N(C1)/N=C/c1ccc(o1)[N+](=O)[O-]" . "O=C1NC(=O)N(C1)/N=C/c1ccc(o1)[N+](=O)[O-]" . "NXFQHRVNIOXGAQ-YCRREMRBSA-N" . "InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+" . "O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnc(s1)C)Cn1cnnn1" . "O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnc(s1)C)Cn1cnnn1" . "MLYYVTUWGNIJIB-BXKDBHETSA-N" . "InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1" . "Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N" . "Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N" . "MQJKPEGWNLWLTK-UHFFFAOYSA-N" . "InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2" . "Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C" . "Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C" . "JLKIGFTWXXRPMT-UHFFFAOYSA-N" . "InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)" . "OC[C@H]1O[C@@H](Oc2c3cc4cc2Oc2ccc(cc2Cl)[C@@H](O)[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]([C@@H](c4ccc(O3)c(Cl)c4)O)NC(=O)[C@@H](CC(C)C)NC)c3ccc(c(c3)c3c(O)cc(cc3[C@H](NC2=O)C(=O)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@H]([C@@](C1)(C)N)O" . "OC[C@H]1O[C@@H](Oc2c3cc4cc2Oc2ccc(cc2Cl)[C@@H](O)[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]([C@@H](c4ccc(O3)c(Cl)c4)O)NC(=O)[C@@H](CC(C)C)NC)c3ccc(c(c3)c3c(O)cc(cc3[C@H](NC2=O)C(=O)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@H]([C@@](C1)(C)N)O" . "MYPYJXKWCTUITO-LYRMYLQWSA-N" . "InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1" . "OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)c1c(C)onc1c1ccccc1" . "OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)c1c(C)onc1c1ccccc1" . "UWYHMGVUTGAWSP-JKIFEVAISA-N" . "InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1" . "CCCCCCCCCC(=O)N[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO)Oc1c2cc3cc1Oc1ccc(cc1Cl)C[C@@H]1C(=O)N[C@H](C(=O)N[C@H]3C(=O)N[C@H]3C(=O)N[C@@H]([C@@H](c4ccc(O2)c(Cl)c4)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2NC(=O)C)O)O)C(=O)N[C@@H](c2c(c4cc3ccc4O)c(cc(c2)O)OC2O[C@H](CO)[C@H]([C@@H]([C@@H]2O)O)O)C(=O)O)c2cc(O)cc(c2)Oc2cc([C@H](C(=O)N1)N)ccc2O" . "CCCCCCCCCC(=O)N[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO)Oc1c2cc3cc1Oc1ccc(cc1Cl)C[C@@H]1C(=O)N[C@H](C(=O)N[C@H]3C(=O)N[C@H]3C(=O)N[C@@H]([C@@H](c4ccc(O2)c(Cl)c4)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2NC(=O)C)O)O)C(=O)N[C@@H](c2c(c4cc3ccc4O)c(cc(c2)O)OC2O[C@H](CO)[C@H]([C@@H]([C@@H]2O)O)O)C(=O)O)c2cc(O)cc(c2)Oc2cc([C@H](C(=O)N1)N)ccc2O" . "BJNLLBUOHPVGFT-CAYRISATSA-N" . "InChI=1S/C88H97Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)69-84(121)98-66(85(122)123)45-29-42(105)30-54(127-88-76(115)75(114)72(111)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)95-64)20-35-11-17-51(125-55)46(89)19-35/h11-19,21-30,48,57-59,62-77,86-88,100-102,104-107,109-115H,3-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/t48-,57-,58-,59-,62-,63-,64+,65-,66+,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77-,86+,87+,88?/m1/s1" . "OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H]([C@H]([C@@H]3N=C(N)N)O)N=C(N)N)O[C@H]([C@]2(O)C=O)C)[C@H]([C@@H]([C@H]1O)O)NC" . "OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H]([C@H]([C@@H]3N=C(N)N)O)N=C(N)N)O[C@H]([C@]2(O)C=O)C)[C@H]([C@@H]([C@H]1O)O)NC" . "UCSJYZPVAKXKNQ-HZYVHMACSA-N" . "InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1" . "O=C([C@@H](c1cscc1)C(=O)O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C" . "O=C([C@@H](c1cscc1)C(=O)O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C" . "OHKOGUYZJXTSFX-KZFFXBSXSA-N" . "InChI=1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7-,8-,9+,12-/m1/s1" . "O=C([C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)N=CN1CCCCCC1)OCOC(=O)C(C)(C)C" . "O=C([C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)N=CN1CCCCCC1)OCOC(=O)C(C)(C)C" . "NPGNOVNWUSPMDP-HLLBOEOZSA-N" . "InChI=1S/C21H33N3O5S/c1-20(2,3)19(27)29-13-28-18(26)15-21(4,5)30-17-14(16(25)24(15)17)22-12-23-10-8-6-7-9-11-23/h12,14-15,17H,6-11,13H2,1-5H3/t14-,15+,17-/m1/s1" . "CN1CCN(CC1)c1c(F)cc2c3c1OCC(n3cc(c2=O)C(=O)O)C" . "CN1CCN(CC1)c1c(F)cc2c3c1OCC(n3cc(c2=O)C(=O)O)C" . "GSDSWSVVBLHKDQ-UHFFFAOYSA-N" . "InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)" . "CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1[C@@H](O)[C@H]1C(=C(O)c3c([C@@]1(C)O)cccc3O)C2=O)O)O)C(=O)N)C" . "CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1[C@@H](O)[C@H]1C(=C(O)c3c([C@@]1(C)O)cccc3O)C2=O)O)O)C(=O)N)C" . "OWFJMIVZYSDULZ-PXOLEDIWSA-N" . "InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1" . "COc1c(N2C[C@@H]3[C@H](C2)CCCN3)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1" . "COc1c(N2C[C@@H]3[C@H](C2)CCCN3)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1" . "FABPRXSRWADJSP-MEDUHNTESA-N" . "InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1" . "O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)COc1ccccc1" . "O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)COc1ccccc1" . "BPLBGHOLXOTWMN-MBNYWOFBSA-N" . "InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1" . "O=C1[C@@H](NC(=O)c2c(C)onc2c2c(F)cccc2Cl)[C@@H]2N1[C@@H](C(=O)O)C(S2)(C)C" . "O=C1[C@@H](NC(=O)c2c(C)onc2c2c(F)cccc2Cl)[C@@H]2N1[C@@H](C(=O)O)C(S2)(C)C" . "UIOFUWFRIANQPC-JKIFEVAISA-N" . "InChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1" . "CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1" . "CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1" . "IVBHGBMCVLDMKU-GXNBUGAJSA-N" . "InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1" . "NC(=O)c1ccc2n(n1)c(c1ccccc1)c(n2)c1ccc(cc1)C1(N)CCC1" . "NC(=O)c1ccc2n(n1)c(c1ccccc1)c(n2)c1ccc(cc1)C1(N)CCC1" . "JBGYKRAZYDNCNV-UHFFFAOYSA-N" . "InChI=1S/C23H21N5O/c24-22(29)18-11-12-19-26-20(21(28(19)27-18)16-5-2-1-3-6-16)15-7-9-17(10-8-15)23(25)13-4-14-23/h1-3,5-12H,4,13-14,25H2,(H2,24,29)" . "O=c1[nH]sc2c1CCNC2" . "O=c1[nH]sc2c1CCNC2" . "DZYJTJJQGHXSFN-UHFFFAOYSA-N" . "InChI=1S/C6H8N2OS/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)" . "O=C([C@H]1NC[C@H](C1)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C)Nc1cccc(c1)C(=O)O" . "O=C([C@H]1NC[C@H](C1)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C)Nc1cccc(c1)C(=O)O" . "JUZNIMUFDBIJCM-ANEDZVCMSA-N" . "InChI=1S/C22H25N3O7S/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32)/t9-,10-,13+,14+,15-,16-/m1/s1" . "NCCC[C@H](N(C(=O)[C@@H]1CCSCCC(=O)N[C@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)[C@@H](CC)C)[C@H](CC)C)C)CO" . "NCCC[C@H](N(C(=O)[C@@H]1CCSCCC(=O)N[C@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)[C@@H](CC)C)[C@H](CC)C)C)CO" . "UGNGRKKDUVKQDF-IHOMMZCZSA-N" . "InChI=1S/C40H63N9O8S/c1-6-23(3)34-38(55)46-31(20-32(42)51)36(53)45-29(40(57)49(5)26(22-50)11-10-16-41)14-17-58-18-15-33(52)44-30(19-25-21-43-28-13-9-8-12-27(25)28)37(54)47-35(24(4)7-2)39(56)48-34/h8-9,12-13,21,23-24,26,29-31,34-35,43,50H,6-7,10-11,14-20,22,41H2,1-5H3,(H2,42,51)(H,44,52)(H,45,53)(H,46,55)(H,47,54)(H,48,56)/t23-,24+,26+,29+,30-,31+,34+,35+/m1/s1" . "CNc1oc(nc1C#N)c1cccc2c1cccc2" . "CNc1oc(nc1C#N)c1cccc2c1cccc2" . "DYXYXTDIFMDJIR-UHFFFAOYSA-N" . "InChI=1S/C15H11N3O/c1-17-15-13(9-16)18-14(19-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,17H,1H3" . "CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1C[C@H]1C(=C(O)c3c([C@H]1O)c(Cl)ccc3O)C2=O)O)O)C(=O)N)C" . "CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1C[C@H]1C(=C(O)c3c([C@H]1O)c(Cl)ccc3O)C2=O)O)O)C(=O)N)C" . "GUXHBMASAHGULD-SEYHBJAFSA-N" . "InChI=1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-27,30,32H,5H2,1-2H3,(H2,23,31)/t6-,7-,14-,15-,21-/m0/s1" . "N[C@H](C(=O)O)CCCCNCNC(=O)C1=C(O)[C@@]2([C@H]([C@@H](C1=O)N(C)C)C[C@H]1C(=C(O)c3c([C@@]1(C)O)cccc3O)C2=O)O" . "N[C@H](C(=O)O)CCCCNCNC(=O)C1=C(O)[C@@]2([C@H]([C@@H](C1=O)N(C)C)C[C@H]1C(=C(O)c3c([C@@]1(C)O)cccc3O)C2=O)O" . "PZTCVADFMACKLU-UEPZRUIBSA-N" . "InChI=1S/C29H38N4O10/c1-28(42)13-7-6-9-17(34)18(13)22(35)19-14(28)11-15-21(33(2)3)23(36)20(25(38)29(15,43)24(19)37)26(39)32-12-31-10-5-4-8-16(30)27(40)41/h6-7,9,14-16,21,31,34-35,38,42-43H,4-5,8,10-12,30H2,1-3H3,(H,32,39)(H,40,41)/t14-,15-,16-,21-,28+,29-/m0/s1" . "CN1CCN(CC1)c1c(F)cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C" . "CN1CCN(CC1)c1c(F)cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C" . "GSDSWSVVBLHKDQ-JTQLQIEISA-N" . "InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1" . "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@H]([C@@H](O2)C)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)OC" . "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@H]([C@@H](O2)C)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)OC" . "AGOYDEPGAOXOCK-KCBOHYOISA-N" . "InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1" . "CO/N=C(/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)N)/c1ccco1" . "CO/N=C(/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)N)/c1ccco1" . "JFPVXVDWJQMJEE-IZRZKJBUSA-N" . "InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1" . "CCO/N=C(/c1nsc(n1)NP(=O)(O)O)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])Sc1scc(n1)c1cc[n+](cc1)C" . "CCO/N=C(/c1nsc(n1)NP(=O)(O)O)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])Sc1scc(n1)c1cc[n+](cc1)C" . "ZCCUWMICIWSJIX-NQJJCJBVSA-N" . "InChI=1S/C22H21N8O8PS4/c1-3-38-26-13(16-25-21(43-28-16)27-39(35,36)37)17(31)24-14-18(32)30-15(20(33)34)12(9-40-19(14)30)42-22-23-11(8-41-22)10-4-6-29(2)7-5-10/h4-8,14,19H,3,9H2,1-2H3,(H4-,24,25,27,28,31,33,34,35,36,37)/b26-13-/t14-,19-/m1/s1" . "NC(c1ccccc1)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)Cl" . "NC(c1ccccc1)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)Cl" . "QYIYFLOTGYLRGG-UHFFFAOYSA-N" . "InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)" . "NCC[C@@H](C(=O)N[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)N)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O" . "NCC[C@@H](C(=O)N[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)N)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O" . "LKCWBDHBTVXHDL-RMDFUYIESA-N" . "InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1" . "FCSC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)F)F" . "FCSC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)F)F" . "XTULMSXFIHGYFS-VLSRWLAYSA-N" . "InChI=1S/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,19+,21+,24+,25+,26+,27+/m1/s1" . "CCCC[C@@](Nc1nc(N)nc2c1ncc(c2)F)(CO)C" . "CCCC[C@@](Nc1nc(N)nc2c1ncc(c2)F)(CO)C" . "HTCJUBZBSJQWBW-CQSZACIVSA-N" . "InChI=1S/C14H20FN5O/c1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11/h6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20)/t14-/m1/s1" . "FC(c1nnc2n1nc(cc2)c1ccncc1)(c1ccc2c(c1)cccn2)F" . "FC(c1nnc2n1nc(cc2)c1ccncc1)(c1ccc2c(c1)cccn2)F" . "KOAWAWHSMVKCON-UHFFFAOYSA-N" . "InChI=1S/C20H12F2N6/c21-20(22,15-3-4-16-14(12-15)2-1-9-24-16)19-26-25-18-6-5-17(27-28(18)19)13-7-10-23-11-8-13/h1-12H" . "Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1" . "Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1" . "MYSWGUAQZAJSOK-UHFFFAOYSA-N" . "InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)" . "OC[C@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl" . "OC[C@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl" . "WIIZWVCIJKGZOK-RKDXNWHRSA-N" . "InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1" . "N#CC[C@H]1CN(CCN1C(=O)C(=C)F)c1nc(OC[C@@H]2CCCN2C)nc2c1CCN(C2)c1cccc2c1c(Cl)ccc2" . "N#CC[C@H]1CN(CCN1C(=O)C(=C)F)c1nc(OC[C@@H]2CCCN2C)nc2c1CCN(C2)c1cccc2c1c(Cl)ccc2" . "PEMUGDMSUDYLHU-ZEQRLZLVSA-N" . "InChI=1S/C32H35ClFN7O2/c1-21(34)31(42)41-17-16-40(18-23(41)11-13-35)30-25-12-15-39(28-10-4-7-22-6-3-9-26(33)29(22)28)19-27(25)36-32(37-30)43-20-24-8-5-14-38(24)2/h3-4,6-7,9-10,23-24H,1,5,8,11-12,14-20H2,2H3/t23-,24-/m0/s1" . "O=C([C@@H](c1ccc(cc1)O)N)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C" . "O=C([C@@H](c1ccc(cc1)O)N)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C" . "LSQZJLSUYDQPKJ-NJBDSQKTSA-N" . "InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1" . "N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C" . "N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C" . "AVKUERGKIZMTKX-NJBDSQKTSA-N" . "InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1" . "CN(CCCOc1cc(ccc1Cl)c1nc(ccc1c1ccccc1C)C(=O)NC1(CCCCC1)C(=O)O)C" . "CN(CCCOc1cc(ccc1Cl)c1nc(ccc1c1ccccc1C)C(=O)NC1(CCCCC1)C(=O)O)C" . "XCIGPFMHSRYJDG-UHFFFAOYSA-N" . "InChI=1S/C31H36ClN3O4/c1-21-10-5-6-11-23(21)24-13-15-26(29(36)34-31(30(37)38)16-7-4-8-17-31)33-28(24)22-12-14-25(32)27(20-22)39-19-9-18-35(2)3/h5-6,10-15,20H,4,7-9,16-19H2,1-3H3,(H,34,36)(H,37,38)" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCCN)CCCCN)CCCCN)CCCCN)CCCCN)CCCCN)CC(=O)O)[C@H](O)C)[C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1nc[nH]c1)N)CCC(=O)O)Cc1ccccc1)CO)CO)CCC(=O)O)CC(C)C)C)CC(C)C)CC(=O)O)C)CC(C)C)C)C)CCCN=C(N)N)CC(=O)O)Cc1ccccc1)C)CC(C)C)C" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCCN)CCCCN)CCCCN)CCCCN)CCCCN)CCCCN)CC(=O)O)[C@H](O)C)[C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1nc[nH]c1)N)CCC(=O)O)Cc1ccccc1)CO)CO)CCC(=O)O)CC(C)C)C)CC(C)C)CC(=O)O)C)CC(C)C)C)C)CCCN=C(N)N)CC(=O)O)Cc1ccccc1)C)CC(C)C)C" . "DOAUQKRTILFGHV-PDCMDPCFSA-N" . "InChI=1S/C197H325N53O55/c1-27-102(13)152(190(299)220-111(22)166(275)248-157(113(24)254)194(303)230-129(66-45-52-78-204)176(285)244-155(105(16)30-4)192(301)250-158(114(25)255)195(304)240-142(90-151(267)268)183(292)228-128(65-44-51-77-203)173(282)227-127(64-43-50-76-202)172(281)226-126(63-42-49-75-201)171(280)225-125(62-41-48-74-200)170(279)224-124(61-40-47-73-199)169(278)222-123(160(206)269)60-39-46-72-198)245-185(294)136(83-101(11)12)234-182(291)139(86-118-91-211-122-59-38-37-58-120(118)122)232-164(273)109(20)219-189(298)153(103(14)28-2)246-186(295)138(85-117-56-35-32-36-57-117)235-184(293)141(89-150(265)266)236-174(283)130(67-53-79-210-197(207)208)223-162(271)107(18)215-161(270)106(17)216-177(286)133(80-98(5)6)231-163(272)108(19)217-179(288)140(88-149(263)264)237-180(289)135(82-100(9)10)238-191(300)154(104(15)29-3)247-196(305)159(115(26)256)249-165(274)110(21)218-178(287)134(81-99(7)8)233-175(284)132(69-71-148(261)262)229-187(296)143(95-251)242-188(297)144(96-252)241-181(290)137(84-116-54-33-31-34-55-116)239-193(302)156(112(23)253)243-146(258)94-213-168(277)131(68-70-147(259)260)221-145(257)93-212-167(276)121(205)87-119-92-209-97-214-119/h31-38,54-59,91-92,97-115,121,123-144,152-159,211,251-256H,27-30,39-53,60-90,93-96,198-205H2,1-26H3,(H2,206,269)(H,209,214)(H,212,276)(H,213,277)(H,215,270)(H,216,286)(H,217,288)(H,218,287)(H,219,298)(H,220,299)(H,221,257)(H,222,278)(H,223,271)(H,224,279)(H,225,280)(H,226,281)(H,227,282)(H,228,292)(H,229,296)(H,230,303)(H,231,272)(H,232,273)(H,233,284)(H,234,291)(H,235,293)(H,236,283)(H,237,289)(H,238,300)(H,239,302)(H,240,304)(H,241,290)(H,242,297)(H,243,258)(H,244,285)(H,245,294)(H,246,295)(H,247,305)(H,248,275)(H,249,274)(H,250,301)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H4,207,208,210)/t102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112+,113+,114+,115+,121-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,152-,153-,154-,155-,156-,157-,158-,159-/m0/s1" . "OC[C@@H]1NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C1=O)CCC2)CCC(=O)O)Cc1cnc[nH]1)CCC(=O)N)C(C)C" . "OC[C@@H]1NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C1=O)CCC2)CCC(=O)O)Cc1cnc[nH]1)CCC(=O)N)C(C)C" . "JXPWLIYXIWGWSA-CLBRJLNISA-N" . "InChI=1S/C40H63N15O13/c1-19(2)31-38(67)51-23(8-11-29(42)58)34(63)53-26(17-56)39(68)55-14-4-6-27(55)37(66)50-24(9-12-30(59)60)33(62)52-25(15-20-16-45-18-47-20)36(65)49-22(7-10-28(41)57)32(61)48-21(35(64)54-31)5-3-13-46-40(43)44/h16,18-19,21-27,31,56H,3-15,17H2,1-2H3,(H2,41,57)(H2,42,58)(H,45,47)(H,48,61)(H,49,65)(H,50,66)(H,51,67)(H,52,62)(H,53,63)(H,54,64)(H,59,60)(H4,43,44,46)/t21-,22-,23-,24-,25-,26-,27-,31-/m0/s1" . "CC(C[C@@H](C(=O)N[C@H](C(S(=O)(=O)O)O)CC1CCNC1=O)NC(=O)OCc1ccccc1)C" . "CC(C[C@@H](C(=O)N[C@H](C(S(=O)(=O)O)O)CC1CCNC1=O)NC(=O)OCc1ccccc1)C" . "BSPZFJDYQHDZNR-ASPXRTSYSA-N" . "InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t15?,16-,17-,20?/m0/s1" . "C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)Oc1ncc(c2c1cc(Cl)cc2)OC)C(=O)NS(=O)(=O)C1CC1" . "C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)Oc1ncc(c2c1cc(Cl)cc2)OC)C(=O)NS(=O)(=O)C1CC1" . "XRWSZZJLZRKHHD-WVWIJVSJSA-N" . "InChI=1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1" . "Sc1nnc(n1NC1CCC=C1)NNc1ccc(cc1)I" . "Sc1nnc(n1NC1CCC=C1)NNc1ccc(cc1)I" . "HZJRZVOMEGOUMN-UHFFFAOYSA-N" . "InChI=1S/C13H15IN6S/c14-9-5-7-10(8-6-9)15-16-12-17-18-13(21)20(12)19-11-3-1-2-4-11/h1,3,5-8,11,15,19H,2,4H2,(H,16,17)(H,18,21)" . "CO[C@@H]1[C@@H](OC(=O)c2ccc([nH]2)C)[C@@H](O)[C@@H](OC1(C)C)Oc1ccc2c(c1C)oc(=O)c(c2O)NC(=O)c1c[nH]c(c1C)C(=O)Nc1c(=O)oc2c(c1O)ccc(c2C)O[C@@H]1OC(C)(C)[C@@H]([C@H]([C@H]1O)OC(=O)c1ccc([nH]1)C)OC" . "CO[C@@H]1[C@@H](OC(=O)c2ccc([nH]2)C)[C@@H](O)[C@@H](OC1(C)C)Oc1ccc2c(c1C)oc(=O)c(c2O)NC(=O)c1c[nH]c(c1C)C(=O)Nc1c(=O)oc2c(c1O)ccc(c2C)O[C@@H]1OC(C)(C)[C@@H]([C@H]([C@H]1O)OC(=O)c1ccc([nH]1)C)OC" . "WTIJXIZOODAMJT-DHFGXMAYSA-N" . "InChI=1S/C55H59N5O20/c1-21-12-16-29(57-21)48(67)77-42-38(63)52(79-54(6,7)44(42)71-10)73-31-18-14-26-36(61)34(50(69)75-40(26)24(31)4)59-46(65)28-20-56-33(23(28)3)47(66)60-35-37(62)27-15-19-32(25(5)41(27)76-51(35)70)74-53-39(64)43(45(72-11)55(8,9)80-53)78-49(68)30-17-13-22(2)58-30/h12-20,38-39,42-45,52-53,56-58,61-64H,1-11H3,(H,59,65)(H,60,66)/t38-,39-,42+,43+,44-,45-,52-,53-/m1/s1" . "CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]2[C@]1(C)OC(=O)N2CCCCn1cnc(c1)c1cccnc1)C)C)(C)OC" . "CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]2[C@]1(C)OC(=O)N2CCCCn1cnc(c1)c1cccnc1)C)C)(C)OC" . "LJVAJPDWBABPEJ-XZVSULPPSA-N" . "InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29-,32+,33-,36-,37+,38-,40+,42-,43-/m1/s1" . "O=C(N[C@H]1CCN(C1)C(=O)[C@@H]1C[C@@H](CN1C)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C)CN=C(N)N" . "O=C(N[C@H]1CCN(C1)C(=O)[C@@H]1C[C@@H](CN1C)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C)CN=C(N)N" . "KEDAXBWZURNCHS-GPODMPQUSA-N" . "InChI=1S/C23H35N7O6S/c1-10-17-16(11(2)31)21(34)30(17)18(22(35)36)19(10)37-13-6-14(28(3)9-13)20(33)29-5-4-12(8-29)27-15(32)7-26-23(24)25/h10-14,16-17,31H,4-9H2,1-3H3,(H,27,32)(H,35,36)(H4,24,25,26)/t10-,11-,12+,13+,14+,16-,17-/m1/s1" . "CO/N=C(/c1ccc(cc1)c1ccc(o1)c1ccc(cc1)/C(=N/OC)/N)/N" . "CO/N=C(/c1ccc(cc1)c1ccc(o1)c1ccc(cc1)/C(=N/OC)/N)/N" . "UKOQVLAXCBRRGH-UHFFFAOYSA-N" . "InChI=1S/C20H20N4O3/c1-25-23-19(21)15-7-3-13(4-8-15)17-11-12-18(27-17)14-5-9-16(10-6-14)20(22)24-26-2/h3-12H,1-2H3,(H2,21,23)(H2,22,24)" . "OC[C@H]1O[C@@H](Oc2c3Oc4ccc(cc4Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@H](C(=O)N[C@@H]4c(c3)cc2Oc2ccc(cc2Cl)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@@](C2)(C)N)O)[C@@H]2NC(=O)[C@H](NC4=O)c3ccc(c(c3)c3c(O)cc(cc3[C@H](NC2=O)C(=O)O)O)O)CC(=O)N)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@@](C1)(C)NCc1ccc(cc1)c1ccc(cc1)Cl)O" . "OC[C@H]1O[C@@H](Oc2c3Oc4ccc(cc4Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@H](C(=O)N[C@@H]4c(c3)cc2Oc2ccc(cc2Cl)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@@](C2)(C)N)O)[C@@H]2NC(=O)[C@H](NC4=O)c3ccc(c(c3)c3c(O)cc(cc3[C@H](NC2=O)C(=O)O)O)O)CC(=O)N)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@@](C1)(C)NCc1ccc(cc1)c1ccc(cc1)Cl)O" . "VHFGEBVPHAGQPI-LXKZPTCJSA-N" . 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"OC[C@H]1O[C@H](Oc2cc(O)cc3c2c2cc(ccc2O)[C@H]2NC(=O)[C@@H]4NC(=O)[C@H]5NC(=O)[C@@H](Cc6ccc(Oc7cc4cc(Oc4ccc([C@H]([C@@H](C(=O)NC3C(=O)NCCCN(C)C)NC2=O)O)cc4Cl)c7O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2NC(=O)CCCCCCCCC(C)C)O)O)cc6)NC(=O)[C@H](NC)c2cc(Oc3cc5c(Cl)c(c3)O)c(O)cc2)[C@H]([C@H]([C@@H]1O)O)O" . "OC[C@H]1O[C@H](Oc2cc(O)cc3c2c2cc(ccc2O)[C@H]2NC(=O)[C@@H]4NC(=O)[C@H]5NC(=O)[C@@H](Cc6ccc(Oc7cc4cc(Oc4ccc([C@H]([C@@H](C(=O)NC3C(=O)NCCCN(C)C)NC2=O)O)cc4Cl)c7O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2NC(=O)CCCCCCCCC(C)C)O)O)cc6)NC(=O)[C@H](NC)c2cc(Oc3cc5c(Cl)c(c3)O)c(O)cc2)[C@H]([C@H]([C@@H]1O)O)O" . "KGPGQDLTDHGEGT-VBZOGQDBSA-N" . "InChI=1S/C88H100Cl2N10O28/c1-38(2)13-10-8-6-7-9-11-14-61(106)94-70-73(109)75(111)78(86(120)121)128-87(70)127-77-58-31-43-32-59(77)124-55-24-19-42(29-50(55)89)71(107)69-85(119)98-67(80(114)92-25-12-26-100(4)5)48-33-44(102)34-57(125-88-76(112)74(110)72(108)60(37-101)126-88)62(48)47-28-40(17-22-52(47)103)65(82(116)99-69)95-83(117)66(43)96-84(118)68-49-35-46(36-54(105)63(49)90)123-56-30-41(18-23-53(56)104)64(91-3)81(115)93-51(79(113)97-68)27-39-15-20-45(122-58)21-16-39/h15-24,28-36,38,51,60,64-76,78,87-88,91,101-105,107-112H,6-14,25-27,37H2,1-5H3,(H,92,114)(H,93,115)(H,94,106)(H,95,117)(H,96,118)(H,97,113)(H,98,119)(H,99,116)(H,120,121)/t51-,60-,64-,65-,66-,67?,68+,69+,70-,71-,72-,73-,74+,75+,76+,78+,87-,88+/m1/s1" . "C[C@H]1O[C@@H](C)[C@H]2N(C1)c1c(CC32C(=O)NC(=O)NC3=O)cc2c(c1F)onc2N1[C@@H](C)COC1=O" . "C[C@H]1O[C@@H](C)[C@H]2N(C1)c1c(CC32C(=O)NC(=O)NC3=O)cc2c(c1F)onc2N1[C@@H](C)COC1=O" . "ZSWMIFNWDQEXDT-ZESJGQACSA-N" . "InChI=1S/C22H22FN5O7/c1-8-7-33-21(32)28(8)17-12-4-11-5-22(18(29)24-20(31)25-19(22)30)16-10(3)34-9(2)6-27(16)14(11)13(23)15(12)35-26-17/h4,8-10,16H,5-7H2,1-3H3,(H2,24,25,29,30,31)/t8-,9+,10-,16+/m0/s1" . "O=C([C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O)NNC(=O)[C@@H]1CCCNC1" . "O=C([C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O)NNC(=O)[C@@H]1CCCNC1" . "YCZPXRQPDCXTIO-BBBLOLIVSA-N" . "InChI=1S/C13H21N5O7S/c19-11(8-2-1-5-14-6-8)15-16-12(20)10-4-3-9-7-17(10)13(21)18(9)25-26(22,23)24/h8-10,14H,1-7H2,(H,15,19)(H,16,20)(H,22,23,24)/t8-,9-,10+/m1/s1" . "CO/N=C/1/CN(CC21CNC2)c1nc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O" . "CO/N=C/1/CN(CC21CNC2)c1nc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O" . "ZNPOCLHDJCAZAH-UCQKPKSFSA-N" . "InChI=1S/C19H20FN5O4/c1-29-23-14-6-24(9-19(14)7-21-8-19)17-13(20)4-11-15(26)12(18(27)28)5-25(10-2-3-10)16(11)22-17/h4-5,10,21H,2-3,6-9H2,1H3,(H,27,28)/b23-14-" . "CNCC[C@H]([C@H]1NC[C@H](C1)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C)O" . "CNCC[C@H]([C@H]1NC[C@H](C1)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C)O" . "PZLOCBSBEUDCPF-YJIVIRPOSA-N" . "InChI=1S/C18H29N3O5S/c1-8-14-13(9(2)22)17(24)21(14)15(18(25)26)16(8)27-10-6-11(20-7-10)12(23)4-5-19-3/h8-14,19-20,22-23H,4-7H2,1-3H3,(H,25,26)/t8-,9-,10+,11+,12-,13-,14-/m1/s1" . "COc1ccc2c(c1)c([C@H](CC[C@@H]1CCN(C[C@@H]1C(=O)O)CCSc1cccs1)O)c(cn2)F" . "COc1ccc2c(c1)c([C@H](CC[C@@H]1CCN(C[C@@H]1C(=O)O)CCSc1cccs1)O)c(cn2)F" . "USGHRRVFKSLEJT-WVBUVRCRSA-N" . "InChI=1S/C25H29FN2O4S2/c1-32-17-5-6-21-18(13-17)24(20(26)14-27-21)22(29)7-4-16-8-9-28(15-19(16)25(30)31)10-12-34-23-3-2-11-33-23/h2-3,5-6,11,13-14,16,19,22,29H,4,7-10,12,15H2,1H3,(H,30,31)/t16-,19+,22+/m1/s1" . "CCCC[C@H]1O[C@H]2O[C@@H]3[C@@H](O)[C@H](NC)[C@@H]([C@@H]([C@H]3O[C@]2(C(=O)C1)O)NC)O" . "CCCC[C@H]1O[C@H]2O[C@@H]3[C@@H](O)[C@H](NC)[C@@H]([C@@H]([C@H]3O[C@]2(C(=O)C1)O)NC)O" . "KHAUBYTYGDOYRU-IRXASZMISA-N" . "InChI=1S/C17H30N2O7/c1-4-5-6-8-7-9(20)17(23)16(24-8)25-15-13(22)10(18-2)12(21)11(19-3)14(15)26-17/h8,10-16,18-19,21-23H,4-7H2,1-3H3/t8-,10-,11+,12+,13+,14-,15-,16+,17+/m1/s1" . "CO[C@H]1CCC[C@H]2C1=C(C(=O)O)N1[C@H]2[C@H](C1=O)[C@H](O)C" . "CO[C@H]1CCC[C@H]2C1=C(C(=O)O)N1[C@H]2[C@H](C1=O)[C@H](O)C" . "ICFDDEJRXZSWTA-KJFVXYAMSA-N" . "InChI=1S/C14H19NO5/c1-6(16)9-11-7-4-3-5-8(20-2)10(7)12(14(18)19)15(11)13(9)17/h6-9,11,16H,3-5H2,1-2H3,(H,18,19)/t6-,7+,8+,9-,11-/m1/s1" . "COc1cc(cc(c1OC)OC)C(=O)C(=O)N([C@H](C(=O)N(C(CCc1ccncc1)CCc1ccncc1)Cc1ccccc1)Cc1ccc(cc1)Cl)C" . "COc1cc(cc(c1OC)OC)C(=O)C(=O)N([C@H](C(=O)N(C(CCc1ccncc1)CCc1ccncc1)Cc1ccccc1)Cc1ccc(cc1)Cl)C" . "MQSMWZHHUGSULF-QNGWXLTQSA-N" . "InChI=1S/C43H45ClN4O6/c1-47(43(51)40(49)34-27-38(52-2)41(54-4)39(28-34)53-3)37(26-32-10-14-35(44)15-11-32)42(50)48(29-33-8-6-5-7-9-33)36(16-12-30-18-22-45-23-19-30)17-13-31-20-24-46-25-21-31/h5-11,14-15,18-25,27-28,36-37H,12-13,16-17,26,29H2,1-4H3/t37-/m0/s1" . "OC(=O)CO/N=C(/c1csc(n1)N)/C(=O)N[C@@H]1C(=O)N(C1(C)C)OS(=O)(=O)O" . "OC(=O)CO/N=C(/c1csc(n1)N)/C(=O)N[C@@H]1C(=O)N(C1(C)C)OS(=O)(=O)O" . "VAMSVIZLXJOLHZ-QWFSEIHXSA-N" . "InChI=1S/C12H15N5O9S2/c1-12(2)8(10(21)17(12)26-28(22,23)24)15-9(20)7(16-25-3-6(18)19)5-4-27-11(13)14-5/h4,8H,3H2,1-2H3,(H2,13,14)(H,15,20)(H,18,19)(H,22,23,24)/b16-7-/t8-/m1/s1" . "CC1NCCN(C1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F" . "CC1NCCN(C1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F" . "QKDHBVNJCZBTMR-UHFFFAOYSA-N" . "InChI=1S/C21H18F3N3O3/c1-11-9-26(5-4-25-11)19-8-18-13(7-16(19)24)20(28)14(21(29)30)10-27(18)17-3-2-12(22)6-15(17)23/h2-3,6-8,10-11,25H,4-5,9H2,1H3,(H,29,30)" . "OC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)c1ccc(nc1)c1nnn(n1)C" . "OC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)c1ccc(nc1)c1nnn(n1)C" . "XFALPSLJIHVRKE-GFCCVEGCSA-N" . "InChI=1S/C17H15FN6O3/c1-23-21-16(20-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(9-25)27-17(24)26/h2-7,12,25H,8-9H2,1H3/t12-/m1/s1" . "C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)OCOC(=O)C(C)(C)C)SC1CN(C1)C1=NCCS1)O" . "C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)OCOC(=O)C(C)(C)C)SC1CN(C1)C1=NCCS1)O" . "SNUDIPVBUUXCDG-QHSBEEBCSA-N" . "InChI=1S/C22H31N3O6S2/c1-11-15-14(12(2)26)18(27)25(15)16(19(28)30-10-31-20(29)22(3,4)5)17(11)33-13-8-24(9-13)21-23-6-7-32-21/h11-15,26H,6-10H2,1-5H3/t11-,12-,14-,15-/m1/s1" . "O=C1NC[C@@H](C1)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C" . "O=C1NC[C@@H](C1)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C" . "CTEFNVKDRWMZSL-CTNSIQBBSA-N" . "InChI=1S/C14H18N2O5S/c1-5-10-9(6(2)17)13(19)16(10)11(14(20)21)12(5)22-7-3-8(18)15-4-7/h5-7,9-10,17H,3-4H2,1-2H3,(H,15,18)(H,20,21)/t5-,6-,7-,9-,10-/m1/s1" . "O=[S@@]1CC[C@@H](C1)SC1=C(C(=O)O)N2[C@H](S1)[C@H](C2=O)[C@H](O)C" . "O=[S@@]1CC[C@@H](C1)SC1=C(C(=O)O)N2[C@H](S1)[C@H](C2=O)[C@H](O)C" . "FLSUCZWOEMTFAQ-PRBGKLEPSA-N" . "InChI=1S/C12H15NO5S3/c1-5(14)7-9(15)13-8(11(16)17)12(20-10(7)13)19-6-2-3-21(18)4-6/h5-7,10,14H,2-4H2,1H3,(H,16,17)/t5-,6+,7+,10-,21-/m1/s1" . "NCCCCNCCCN[C@H]1CC[C@]2([C@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CC[C@H](C(C)C)OS(=O)(=O)O)C)C)O)C" . "NCCCCNCCCN[C@H]1CC[C@]2([C@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CC[C@H](C(C)C)OS(=O)(=O)O)C)C)O)C" . "UIRKNQLZZXALBI-MSVGPLKSSA-N" . "InChI=1S/C34H65N3O5S/c1-23(2)31(42-43(39,40)41)12-9-24(3)27-10-11-28-32-29(14-16-34(27,28)5)33(4)15-13-26(21-25(33)22-30(32)38)37-20-8-19-36-18-7-6-17-35/h23-32,36-38H,6-22,35H2,1-5H3,(H,39,40,41)/t24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-/m1/s1" . "C[C@@H]1N[C@H](C)CN(C1)c1c(F)c(N)c2c(c1F)n(cc(c2=O)C(=O)O)C1CC1" . "C[C@@H]1N[C@H](C)CN(C1)c1c(F)c(N)c2c(c1F)n(cc(c2=O)C(=O)O)C1CC1" . "DZZWHBIBMUVIIW-DTORHVGOSA-N" . "InChI=1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+" . "O=C(N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1)CN=C(c1ccncc1)N" . "O=C(N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1)CN=C(c1ccncc1)N" . "WRFCGBVLTRJBKN-QSNWEANLSA-N" . "InChI=1S/C24H26N6O5S/c1-24(2)18(23(34)35)30-21(33)17(22(30)36-24)29-20(32)16(13-6-4-3-5-7-13)28-15(31)12-27-19(25)14-8-10-26-11-9-14/h3-11,16-18,22H,12H2,1-2H3,(H2,25,27)(H,28,31)(H,29,32)(H,34,35)/t16-,17-,18+,22-/m1/s1" . "CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@@H]2[C@]1(C)OC(=O)N2CCCCn1nnc(c1)c1cccc(c1)N)C)C)(C)OC" . "CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@@H]2[C@]1(C)OC(=O)N2CCCCn1nnc(c1)c1cccc(c1)N)C)C)(C)OC" . "IXXFZUPTQVDPPK-ZAWHAJPISA-N" . "InChI=1S/C43H65FN6O10/c1-12-32-43(8)35(50(40(55)60-43)19-14-13-18-49-23-30(46-47-49)28-16-15-17-29(45)21-28)26(4)33(51)24(2)22-41(6,56-11)37(27(5)36(53)42(7,44)39(54)58-32)59-38-34(52)31(48(9)10)20-25(3)57-38/h15-17,21,23-27,31-32,34-35,37-38,52H,12-14,18-20,22,45H2,1-11H3/t24-,25-,26+,27+,31+,32-,34-,35-,37-,38+,41-,42+,43-/m1/s1" . "Fc1ccc(cc1)n1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F" . "Fc1ccc(cc1)n1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F" . "XBHBWNFJWIASRO-UHFFFAOYSA-N" . "InChI=1S/C20H17F2N3O3/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24/h1-4,9-11,23H,5-8H2,(H,27,28)" . "CCCNCCOc1cc(F)cc(c1)S(=O)(=O)C" . "CCCNCCOc1cc(F)cc(c1)S(=O)(=O)C" . "OSBPYFBXSLJHCR-UHFFFAOYSA-N" . "InChI=1S/C12H18FNO3S/c1-3-4-14-5-6-17-11-7-10(13)8-12(9-11)18(2,15)16/h7-9,14H,3-6H2,1-2H3" . "O=CC[C@H]1C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]([C@H](OC(=O)C[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C)C)O)CC)C" . "O=CC[C@H]1C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]([C@H](OC(=O)C[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C)C)O)CC)C" . "IUPCWCLVECYZRV-JZMZINANSA-N" . "InChI=1S/C31H51NO9/c1-9-25-20(5)29-31(6,41-29)12-10-23(34)17(2)14-21(11-13-33)28(19(4)24(35)16-26(36)39-25)40-30-27(37)22(32(7)8)15-18(3)38-30/h10,12-13,17-22,24-25,27-30,35,37H,9,11,14-16H2,1-8H3/b12-10+/t17-,18-,19+,20-,21+,22+,24-,25-,27-,28-,29+,30+,31+/m1/s1" . "NC(=O)OCC1=C(C(=O)O)N2[C@H](S1)[C@H](C2=O)[C@H](O)C" . "NC(=O)OCC1=C(C(=O)O)N2[C@H](S1)[C@H](C2=O)[C@H](O)C" . "IKQNRQOUOZJHTR-UWBRJAPDSA-N" . "InChI=1S/C10H12N2O6S/c1-3(13)5-7(14)12-6(9(15)16)4(19-8(5)12)2-18-10(11)17/h3,5,8,13H,2H2,1H3,(H2,11,17)(H,15,16)/t3-,5+,8-/m1/s1" . "O=C([C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O)NC1CCNCC1" . "O=C([C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O)NC1CCNCC1" . "SMOBCLHAZXOKDQ-ZJUUUORDSA-N" . "InChI=1S/C12H20N4O6S/c17-11(14-8-3-5-13-6-4-8)10-2-1-9-7-15(10)12(18)16(9)22-23(19,20)21/h8-10,13H,1-7H2,(H,14,17)(H,19,20,21)/t9-,10+/m1/s1" . "C[C@@H]1NCC(=C1)c1csc(n1)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C" . "C[C@@H]1NCC(=C1)c1csc(n1)SC1=C(C(=O)O)N2[C@H]([C@H]1C)[C@H](C2=O)[C@H](O)C" . "XFGOMLIRJYURLQ-GOKYHWASSA-N" . "InChI=1S/C18H21N3O4S2/c1-7-4-10(5-19-7)11-6-26-18(20-11)27-15-8(2)13-12(9(3)22)16(23)21(13)14(15)17(24)25/h4,6-9,12-13,19,22H,5H2,1-3H3,(H,24,25)/t7-,8+,9+,12+,13+/m0/s1" . "O=CC1=C[C@H](O)[C@@H]([C@H]([C@@H]1OC(=O)CC(C)C)O)O" . "O=CC1=C[C@H](O)[C@@H]([C@H]([C@@H]1OC(=O)CC(C)C)O)O" . "HEWICEWYFOOYNG-OHBODLIOSA-N" . "InChI=1S/C12H18O6/c1-6(2)3-9(15)18-12-7(5-13)4-8(14)10(16)11(12)17/h4-6,8,10-12,14,16-17H,3H2,1-2H3/t8-,10-,11+,12+/m0/s1" . "CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)c1ccc(cc1)CNCc1n[nH]nc1" . "CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)c1ccc(cc1)CNCc1n[nH]nc1" . "BTTNOGHPGJANSW-IBGZPJMESA-N" . "InChI=1S/C22H23FN6O3/c1-14(30)25-12-19-13-29(22(31)32-19)18-6-7-20(21(23)8-18)16-4-2-15(3-5-16)9-24-10-17-11-26-28-27-17/h2-8,11,19,24H,9-10,12-13H2,1H3,(H,25,30)(H,26,27,28)/t19-/m0/s1" . "CN[C@H]([C@@H]1CCN(C1)c1c(F)cc2c(c1OC)n(cc(c2=O)C(=O)O)C1CC1)C" . "CN[C@H]([C@@H]1CCN(C1)c1c(F)cc2c(c1OC)n(cc(c2=O)C(=O)O)C1CC1)C" . "SUQUWONDIBHQOZ-NWDGAFQWSA-N" . "InChI=1S/C21H26FN3O4/c1-11(23-2)12-6-7-24(9-12)18-16(22)8-14-17(20(18)29-3)25(13-4-5-13)10-15(19(14)26)21(27)28/h8,10-13,23H,4-7,9H2,1-3H3,(H,27,28)/t11-,12+/m0/s1" . "NCC[C@@H](C(=O)N[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1OC(=CC[C@H]1N)CNCCO)O" . "NCC[C@@H](C(=O)N[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1OC(=CC[C@H]1N)CNCCO)O" . "IYDYFVUFSPQPPV-PEXOCOHZSA-N" . "InChI=1S/C25H48N6O10/c1-25(37)11-38-24(18(35)21(25)29-2)41-20-15(31-22(36)16(33)5-6-26)9-14(28)19(17(20)34)40-23-13(27)4-3-12(39-23)10-30-7-8-32/h3,13-21,23-24,29-30,32-35,37H,4-11,26-28H2,1-2H3,(H,31,36)/t13-,14+,15-,16+,17+,18-,19-,20+,21-,23-,24-,25+/m1/s1" . "O=C1NC/C=C/C(=C/C(O)CC(O)Cc2nc(C(=O)NC(C(=O)OC(C(/C=C/1)C)C(C)C)C)co2)/C" . "O=C1NC/C=C/C(=C/C(O)CC(O)Cc2nc(C(=O)NC(C(=O)OC(C(/C=C/1)C)C(C)C)C)co2)/C" . "SAQNYTQFLPVTNJ-JYXGQRMOSA-N" . "InChI=1S/C26H37N3O7/c1-15(2)24-17(4)8-9-22(32)27-10-6-7-16(3)11-19(30)12-20(31)13-23-29-21(14-35-23)25(33)28-18(5)26(34)36-24/h6-9,11,14-15,17-20,24,30-31H,10,12-13H2,1-5H3,(H,27,32)(H,28,33)/b7-6+,9-8+,16-11+" . "O=C(N1CC(C1=O)NC(=O)/C(=N/OC(C(=O)O)(C)C)/c1csc(n1)N)NS(=O)(=O)N1CCN(C1=O)NC(=O)c1[nH]cc(c(=O)c1)O" . "O=C(N1CC(C1=O)NC(=O)/C(=N/OC(C(=O)O)(C)C)/c1csc(n1)N)NS(=O)(=O)N1CCN(C1=O)NC(=O)c1[nH]cc(c(=O)c1)O" . "JXSPWQGYERHATM-MUXKCCDJSA-N" . "InChI=1S/C22H24N10O12S2/c1-22(2,18(38)39)44-28-14(11-8-45-19(23)26-11)16(36)25-10-7-30(17(10)37)20(40)29-46(42,43)32-4-3-31(21(32)41)27-15(35)9-5-12(33)13(34)6-24-9/h5-6,8,10,34H,3-4,7H2,1-2H3,(H2,23,26)(H,24,33)(H,25,36)(H,27,35)(H,29,40)(H,38,39)/b28-14-" . "[C@]([2H])(C(=O)O)(CF)N" . "[C@]([2H])(C(=O)O)(CF)N" . "UYTSRQMXRROFPU-LIIDHCAMSA-N" . "InChI=1S/C3H6FNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m1/s1/i2D" . "NC(C(S)(C)C)C(=O)O" . "N[C@H](C(S)(C)C)C(=O)O" . "VVNCNSJFMMFHPL-VKHMYHEASA-N" . "InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1" . "CC[C@@H](C(=O)O[C@H](C1(O)C(OC)CC(OC1C)OC1C(OC(=O)C(C(SC[C@@H](C(=O)O)NC(=O)C)C)NC(=S)SC[C@@H](C(=O)O)NC(=O)C)C(COC(=O)C)OC(C1O)[C@@]1(O)CC(=O)C(=N)C(=C1O)C(=O)O)C)C.COC1CC(OC2C(OC(=O)C(C(SC[C@@H](C(=O)O)NC(=O)C)C)NC(=S)SC[C@@H](C(=O)O)NC(=O)C)C(COC(=O)C)OC(C2O)[C@@]2(O)CC(=O)C(=N)C(=C2O)C(=O)O)OC(C1(O)[C@@H](OC(=O)C(C)C)C)C" . "CC[C@@H](C(=O)O[C@H](C1(O)C(OC)CC(OC1C)OC1C(OC(=O)C(C(SC[C@@H](C(=O)O)NC(=O)C)C)NC(=S)SC[C@@H](C(=O)O)NC(=O)C)C(COC(=O)C)OC(C1O)[C@@]1(O)CC(=O)C(=N)C(=C1O)C(=O)O)C)C.COC1CC(OC2C(OC(=O)C(C(SC[C@@H](C(=O)O)NC(=O)C)C)NC(=S)SC[C@@H](C(=O)O)NC(=O)C)C(COC(=O)C)OC(C2O)[C@@]2(O)CC(=O)C(=N)C(=C2O)C(=O)O)OC(C1(O)[C@@H](OC(=O)C(C)C)C)C" . "VSHJMNNDPYEUOT-ILYCIZJESA-N" . "InChI=1S/C44H64N4O23S3.C43H62N4O23S3/c1-10-16(2)40(61)68-19(5)44(64)18(4)67-28(11-27(44)65-9)70-34-32(53)36(43(63)12-25(52)30(45)29(35(43)54)39(59)60)69-26(13-66-22(8)51)33(34)71-41(62)31(17(3)73-14-23(37(55)56)46-20(6)49)48-42(72)74-15-24(38(57)58)47-21(7)50;1-15(2)39(60)67-18(5)43(63)17(4)66-27(10-26(43)64-9)69-33-31(52)35(42(62)11-24(51)29(44)28(34(42)53)38(58)59)68-25(12-65-21(8)50)32(33)70-40(61)30(16(3)72-13-22(36(54)55)45-19(6)48)47-41(71)73-14-23(37(56)57)46-20(7)49/h16-19,23-24,26-28,31-34,36,45,53-54,63-64H,10-15H2,1-9H3,(H,46,49)(H,47,50)(H,48,72)(H,55,56)(H,57,58)(H,59,60);15-18,22-23,25-27,30-33,35,44,52-53,62-63H,10-14H2,1-9H3,(H,45,48)(H,46,49)(H,47,71)(H,54,55)(H,56,57)(H,58,59)/t16-,17?,18?,19-,23-,24-,26?,27?,28?,31?,32?,33?,34?,36?,43+,44?;16?,17?,18-,22-,23-,25?,26?,27?,30?,31?,32?,33?,35?,42+,43?/m00/s1" . "CNc1ncc(cc1C)c1ccc2c(c1C)n(cc(c2=O)C(=O)O)C1CC1" . "CNc1ncc(cc1C)c1ccc2c(c1C)n(cc(c2=O)C(=O)O)C1CC1" . "XPIJWUTXQAGSLK-UHFFFAOYSA-N" . "InChI=1S/C21H21N3O3/c1-11-8-13(9-23-20(11)22-3)15-6-7-16-18(12(15)2)24(14-4-5-14)10-17(19(16)25)21(26)27/h6-10,14H,4-5H2,1-3H3,(H,22,23)(H,26,27)" . "Oc1cccc(c1)/C=C/C1=NCCCN1C" . "Oc1cccc(c1)/C=C/C1=NCCCN1C" . "VRYKTHBAWRESFI-VOTSOKGWSA-N" . "InChI=1S/C13H16N2O/c1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11/h2,4-7,10,16H,3,8-9H2,1H3/b7-6+" . "CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1C[C@@H]1Cc3c(cc(c(c3C(=C1C2=O)O)O)CNCC(C)(C)C)N(C)C)O)O)C(=O)N)C" . "CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1C[C@@H]1Cc3c(cc(c(c3C(=C1C2=O)O)O)CNCC(C)(C)C)N(C)C)O)O)C(=O)N)C" . "VJYKVCURWJGLPG-IQZGDKDPSA-N" . "InChI=1S/C29H40N4O7/c1-28(2,3)12-31-11-14-10-17(32(4)5)15-8-13-9-16-21(33(6)7)24(36)20(27(30)39)26(38)29(16,40)25(37)18(13)23(35)19(15)22(14)34/h10,13,16,21,31,34-35,38,40H,8-9,11-12H2,1-7H3,(H2,30,39)/t13-,16-,21-,29-/m0/s1" . "N[C@@H]1CN(CC21CC2)c1c(F)c(N)c2c(c1C)n(cc(c2=O)C(=O)O)C1CC1" . "N[C@@H]1CN(CC21CC2)c1c(F)c(N)c2c(c1C)n(cc(c2=O)C(=O)O)C1CC1" . "LEILBPMISZFZQK-GFCCVEGCSA-N" . "InChI=1S/C20H23FN4O3/c1-9-16-13(18(26)11(19(27)28)6-25(16)10-2-3-10)15(23)14(21)17(9)24-7-12(22)20(8-24)4-5-20/h6,10,12H,2-5,7-8,22-23H2,1H3,(H,27,28)/t12-/m1/s1" . "Nc1ccc(nn1)/C=C/c1ccc(o1)[N+](=O)[O-]" . "Nc1ccc(nn1)/C=C/c1ccc(o1)[N+](=O)[O-]" . "XDWLRMBWIWKFNC-HNQUOIGGSA-N" . "InChI=1S/C10H8N4O3/c11-9-5-2-7(12-13-9)1-3-8-4-6-10(17-8)14(15)16/h1-6H,(H2,11,13)/b3-1+" . "COc1c(ccc2c1n(cc(c2=O)C(=O)O)C1CC1)N1C[C@@H](C)C[C@@H](C1)N" . "COc1c(ccc2c1n(cc(c2=O)C(=O)O)C1CC1)N1C[C@@H](C)C[C@@H](C1)N" . "AVPQPGFLVZTJOR-RYUDHWBXSA-N" . "InChI=1S/C20H25N3O4/c1-11-7-12(21)9-22(8-11)16-6-5-14-17(19(16)27-2)23(13-3-4-13)10-15(18(14)24)20(25)26/h5-6,10-13H,3-4,7-9,21H2,1-2H3,(H,25,26)/t11-,12-/m0/s1" . "CC[C@H]([C@H]1O[C@]2(C=C[C@H]([C@@]3(O2)CC[C@@](O3)(C)[C@H]2CC[C@]([C@@H](O2)C)(O)CC)O)[C@@H](C[C@@H]1C)C)C(=O)[C@H]([C@H]([C@@H]([C@@H]1O[C@H]([C@H](C[C@@H]1C)C)[C@H](C(=O)O)CC)C)O)C" . "CC[C@H]([C@H]1O[C@]2(C=C[C@H]([C@@]3(O2)CC[C@@](O3)(C)[C@H]2CC[C@]([C@@H](O2)C)(O)CC)O)[C@@H](C[C@@H]1C)C)C(=O)[C@H]([C@H]([C@@H]([C@@H]1O[C@H]([C@H](C[C@@H]1C)C)[C@H](C(=O)O)CC)C)O)C" . "VHKXXVVRRDYCIK-CWCPJSEDSA-N" . "InChI=1S/C43H72O11/c1-12-30(35(46)27(8)34(45)28(9)36-23(4)21-24(5)37(51-36)31(13-2)39(47)48)38-25(6)22-26(7)42(52-38)18-15-32(44)43(54-42)20-19-40(11,53-43)33-16-17-41(49,14-3)29(10)50-33/h15,18,23-34,36-38,44-45,49H,12-14,16-17,19-22H2,1-11H3,(H,47,48)/t23-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34+,36+,37+,38-,40-,41+,42-,43-/m0/s1" . "CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)N1CCOCC1" . "CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)N1CCOCC1" . "TYZROVQLWOKYKF-ZDUSSCGKSA-N" . "InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1" . "NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O" . "NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O" . "NDCUAPJVLWFHHB-UHNVWZDZSA-N" . "InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/t4-,5+/m1/s1" . "CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@@H]2[C@]1(C)OC(=O)[C@H]2/C(=N/O[C@H](c1nnc(s1)c1ccccn1)C)/N)C)C)(C)OC" . "CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@@H]2[C@]1(C)OC(=O)[C@H]2/C(=N/O[C@H](c1nnc(s1)c1ccccn1)C)/N)C)C)(C)OC" . "RLFCSBSRGRJFRO-QAOQTAGDSA-N" . "InChI=1S/C42H62N6O11S/c1-13-28-42(9)30(29(39(53)58-42)35(43)47-59-25(7)36-45-46-37(60-36)26-16-14-15-17-44-26)22(4)31(49)20(2)19-41(8,54-12)34(23(5)32(50)24(6)38(52)56-28)57-40-33(51)27(48(10)11)18-21(3)55-40/h14-17,20-25,27-30,33-34,40,51H,13,18-19H2,1-12H3,(H2,43,47)/t20-,21-,22-,23+,24-,25+,27+,28-,29-,30+,33-,34-,40+,41-,42-/m1/s1" . "N#Cc1c(N2C[C@H]3[C@H](C2)NCCO3)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1" . "N#Cc1c(N2C[C@H]3[C@H](C2)NCCO3)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1" . "FYMHQCNFKNMJAV-HOTGVXAUSA-N" . "InChI=1S/C20H19FN4O4/c21-14-5-11-17(25(10-1-2-10)7-13(19(11)26)20(27)28)12(6-22)18(14)24-8-15-16(9-24)29-4-3-23-15/h5,7,10,15-16,23H,1-4,8-9H2,(H,27,28)/t15-,16-/m0/s1" . "O=C1CCN(C=C1)c1c(F)cc(c(c1F)F)N1C[C@@H](OC1=O)CN(P(=O)(OC(=O)C)O)c1ccon1" . "O=C1CCN(C=C1)c1c(F)cc(c(c1F)F)N1C[C@@H](OC1=O)CN(P(=O)(OC(=O)C)O)c1ccon1" . "YCRAGJLWFBGKFE-CYBMUJFWSA-N" . "InChI=1S/C20H18F3N4O8P/c1-11(28)35-36(31,32)27(16-4-7-33-24-16)10-13-9-26(20(30)34-13)15-8-14(21)19(18(23)17(15)22)25-5-2-12(29)3-6-25/h2,4-5,7-8,13H,3,6,9-10H2,1H3,(H,31,32)/t13-/m1/s1" . "O=C1CCN(C=C1)c1c(F)cc(c(c1F)F)N1C[C@@H](OC1=O)CNc1ccon1" . "O=C1CCN(C=C1)c1c(F)cc(c(c1F)F)N1C[C@@H](OC1=O)CNc1ccon1" . "SULYVXZZUMRQAX-NSHDSACASA-N" . "InChI=1S/C18H15F3N4O4/c19-12-7-13(15(20)16(21)17(12)24-4-1-10(26)2-5-24)25-9-11(29-18(25)27)8-22-14-3-6-28-23-14/h1,3-4,6-7,11H,2,5,8-9H2,(H,22,23)/t11-/m0/s1" . "CN(C(=N)N=C(N)N)C" . "CN(C(=N)N=C(N)N)C" . "XZWYZXLIPXDOLR-UHFFFAOYSA-N" . "InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)" . "NCCC[C@@H]1NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)CCN)CCN)Cc1c[nH]c2c1cccc2)CCN)CCN)C)CO)[C@H](O)C)Cc1c[nH]c2c1cccc2)[C@H](CC)C" . "NCCC[C@@H]1NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)CCN)CCN)Cc1c[nH]c2c1cccc2)CCN)CCN)C)CO)[C@H](O)C)Cc1c[nH]c2c1cccc2)[C@H](CC)C" . "RIDRXGOBXZLKHZ-NZUANIILSA-N" . "InChI=1S/C73H112N22O16/c1-5-38(2)58-70(108)88-52(24-30-79)65(103)83-47(17-10-25-74)62(100)85-49(21-27-76)63(101)86-51(23-29-78)66(104)89-53(33-41-35-80-45-15-8-6-13-43(41)45)67(105)87-50(22-28-77)64(102)84-48(20-26-75)61(99)82-39(3)60(98)91-55(37-96)72(110)95-32-12-19-57(95)73(111)94-31-11-18-56(94)69(107)93-59(40(4)97)71(109)90-54(68(106)92-58)34-42-36-81-46-16-9-7-14-44(42)46/h6-9,13-16,35-36,38-40,47-59,80-81,96-97H,5,10-12,17-34,37,74-79H2,1-4H3,(H,82,99)(H,83,103)(H,84,102)(H,85,100)(H,86,101)(H,87,105)(H,88,108)(H,89,104)(H,90,109)(H,91,98)(H,92,106)(H,93,107)/t38-,39-,40+,47-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57+,58-,59-/m0/s1" . "CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1C[C@@H]1Cc3c(C(=C1C2=O)O)c(O)ccc3N(C)C)O)O)C(=O)N)C" . "CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1C[C@@H]1Cc3c(C(=C1C2=O)O)c(O)ccc3N(C)C)O)O)C(=O)N)C" . "FFTVPQUHLQBXQZ-KVUCHLLUSA-N" . "InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27-28,31,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1" . "OCC1OC(Oc2c3Oc4ccc(cc4Cl)C(OC4OC(CO)C(C(C4NC(=O)C)O)O)C4NC(=O)C(NC(=O)C5c(c3)cc2Oc2ccc(cc2Cl)CC2C(=O)NC(C(=O)N5)c3cc(O)cc(c3)Oc3cc(C(C(=O)N2)N)ccc3O)c2ccc(c(c2)c2c(C(NC4=O)C(=O)NCCCN(C)C)cc(cc2OC2OC(CO)C(C(C2O)O)O)O)O)C(C(C1O)O)NC(=O)CCCCCCC(C)C" . "OCC1OC(Oc2c3Oc4ccc(cc4Cl)C(OC4OC(CO)C(C(C4NC(=O)C)O)O)C4NC(=O)C(NC(=O)C5c(c3)cc2Oc2ccc(cc2Cl)CC2C(=O)NC(C(=O)N5)c3cc(O)cc(c3)Oc3cc(C(C(=O)N2)N)ccc3O)c2ccc(c(c2)c2c(C(NC4=O)C(=O)NCCCN(C)C)cc(cc2OC2OC(CO)C(C(C2O)O)O)O)O)C(C(C1O)O)NC(=O)CCCCCCC(C)C" . "KVZUWEFUEGGULL-UHFFFAOYSA-N" . "InChI=1S/C93H109Cl2N11O32/c1-38(2)11-8-6-7-9-12-65(115)100-73-79(120)76(117)63(36-108)135-92(73)138-83-60-30-45-31-61(83)132-57-20-16-43(28-52(57)95)82(137-91-72(98-39(3)110)78(119)75(116)62(35-107)134-91)74-90(129)104-71(86(125)97-21-10-22-106(4)5)50-33-47(112)34-59(133-93-81(122)80(121)77(118)64(37-109)136-93)66(50)49-27-42(15-17-54(49)113)68(87(126)105-74)102-89(128)70(45)103-88(127)69-44-25-46(111)32-48(26-44)130-58-29-41(14-18-55(58)114)67(96)85(124)99-53(84(123)101-69)24-40-13-19-56(131-60)51(94)23-40/h13-20,23,25-34,38,53,62-64,67-82,91-93,107-109,111-114,116-122H,6-12,21-22,24,35-37,96H2,1-5H3,(H,97,125)(H,98,110)(H,99,124)(H,100,115)(H,101,123)(H,102,128)(H,103,127)(H,104,129)(H,105,126)" . "C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1CN[C@@H](C1)C(=O)N(C)C)O" . "C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)O)S[C@@H]1CN[C@@H](C1)C(=O)N(C)C)O" . "DMJNNHOOLUXYBV-PQTSNVLCSA-N" . "InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1" . "O=CCC1CC(C)C(O)/C=C/C2OC2CC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)O)OC(=O)CC)OC)OC(=O)CC)C" . "O=CCC1CC(C)C(O)/C=C/C2OC2CC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)O)OC(=O)CC)OC)OC(=O)CC)C" . "FFXJTOKFQATYBI-BUHFOSPRSA-N" . "InChI=1S/C41H67NO16/c1-11-30(45)55-29-19-32(47)51-22(4)18-28-27(54-28)14-13-26(44)21(3)17-25(15-16-43)37(38(29)50-10)58-40-35(48)34(42(8)9)36(23(5)53-40)57-33-20-41(7,49)39(24(6)52-33)56-31(46)12-2/h13-14,16,21-29,33-40,44,48-49H,11-12,15,17-20H2,1-10H3/b14-13+" . "COc1ccc(cc1)n1nc(nc1c1ccc(cc1)OC)OC" . "COc1ccc(cc1)n1nc(nc1c1ccc(cc1)OC)OC" . "OBAICMYWONZOSZ-UHFFFAOYSA-N" . "InChI=1S/C17H17N3O3/c1-21-14-8-4-12(5-9-14)16-18-17(23-3)19-20(16)13-6-10-15(22-2)11-7-13/h4-11H,1-3H3" . "C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2CC[C@H](C[C@H]2O)N)[C@]2(C)[C@H](C)CC[C@]3([C@H]([C@@H]1O)C)[C@H]2C(=O)CC3" . "C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2CC[C@H](C[C@H]2O)N)[C@]2(C)[C@H](C)CC[C@]3([C@H]([C@@H]1O)C)[C@H]2C(=O)CC3" . "KPVIXBKIJXZQJX-FCEONZPQSA-N" . "InChI=1S/C28H45NO5S/c1-6-26(4)14-22(34-23(32)15-35-21-8-7-18(29)13-20(21)31)27(5)16(2)9-11-28(17(3)25(26)33)12-10-19(30)24(27)28/h6,16-18,20-22,24-25,31,33H,1,7-15,29H2,2-5H3/t16-,17+,18-,20-,21-,22-,24+,25+,26-,27+,28+/m1/s1" . "FCCn1cc(C(=O)O)c(=O)c2c1c(OC)c(N1C[C@@H]([C@@H](C1)F)CNC1CC1)c(c2)F" . "FCCn1cc(C(=O)O)c(=O)c2c1c(OC)c(N1C[C@@H]([C@@H](C1)F)CNC1CC1)c(c2)F" . "ZFIOCUITTUUVPV-MEDUHNTESA-N" . "InChI=1S/C21H24F3N3O4/c1-31-20-17-13(19(28)14(21(29)30)9-26(17)5-4-22)6-15(23)18(20)27-8-11(16(24)10-27)7-25-12-2-3-12/h6,9,11-12,16,25H,2-5,7-8,10H2,1H3,(H,29,30)/t11-,16+/m0/s1" . "OC(=O)c1ccccc1Nc1cccc(c1C)Cl" . "OC(=O)c1ccccc1Nc1cccc(c1C)Cl" . "YEZNLOUZAIOMLT-UHFFFAOYSA-N" . "InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)" . "O=C(CNC(=O)[C@H](CCCNC(=N)N)N)NCC(=O)N[C@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2)Cc1ccccc1)CCCNC(=N)N)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N)CCCNC(=N)N)C(C)C)CC(C)C" . "O=C(CNC(=O)[C@H](CCCNC(=N)N)N)NCC(=O)N[C@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2)Cc1ccccc1)CCCNC(=N)N)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N)CCCNC(=N)N)C(C)C)CC(C)C" . "GUCYBPFJNGVFEB-XELKFLSISA-N" . "InChI=1S/C78H126N30O18S4/c1-39(2)28-49(99-57(111)32-93-56(110)31-94-63(115)45(79)16-10-24-89-75(81)82)66(118)103-53-36-128-130-38-55(72(124)107-60(40(3)4)73(125)96-34-58(112)97-46(62(80)114)17-11-25-90-76(83)84)106-74(126)61(41(5)6)108-71(123)54-37-129-127-35-52(104-68(120)51(102-70(53)122)30-43-20-22-44(109)23-21-43)69(121)100-47(18-12-26-91-77(85)86)64(116)95-33-59(113)98-48(19-13-27-92-78(87)88)65(117)101-50(67(119)105-54)29-42-14-8-7-9-15-42/h7-9,14-15,20-23,39-41,45-55,60-61,109H,10-13,16-19,24-38,79H2,1-6H3,(H2,80,114)(H,93,110)(H,94,115)(H,95,116)(H,96,125)(H,97,112)(H,98,113)(H,99,111)(H,100,121)(H,101,117)(H,102,122)(H,103,118)(H,104,120)(H,105,119)(H,106,126)(H,107,124)(H,108,123)(H4,81,82,89)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,60-,61-/m0/s1" . "C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O" . "C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O" . "ZSKVGTPCRGIANV-ZXFLCMHBSA-N" . "InChI=1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9-/m1/s1" . "OC(=O)c1cn2C(C)CCc3c2c(c1=O)cc(c3C)F" . "OC(=O)c1cn2C(C)CCc3c2c(c1=O)cc(c3C)F" . "DXKRGNXUIRKXNR-UHFFFAOYSA-N" . "InChI=1S/C15H14FNO3/c1-7-3-4-9-8(2)12(16)5-10-13(9)17(7)6-11(14(10)18)15(19)20/h5-7H,3-4H2,1-2H3,(H,19,20)" . "CC1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O" . "CC1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O" . "AIJTTZAVMXIJGM-UHFFFAOYSA-N" . "InChI=1S/C19H22FN3O3/c1-10-8-22(6-5-21-10)15-7-14-16(11(2)17(15)20)18(24)13(19(25)26)9-23(14)12-3-4-12/h7,9-10,12,21H,3-6,8H2,1-2H3,(H,25,26)" . "O=c1cnc2c3n1[C@H](CN1CCC(CC1)NCc1ncc4c(c1)CCCO4)Cn3c(=O)cc2" . "O=c1cnc2c3n1[C@H](CN1CCC(CC1)NCc1ncc4c(c1)CCCO4)Cn3c(=O)cc2" . "PZFAZQUREQIODZ-LJQANCHMSA-N" . "InChI=1S/C24H28N6O3/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2/t19-/m1/s1" . "COc1c(N2CCNC(C2)C)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1" . "COc1c(N2CCNC(C2)C)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1" . "XUBOMFCQGDBHNK-UHFFFAOYSA-N" . "InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)" . "CC(=O)O[C@H]1C[C@]2([C@H](/C/1=C(/C(=O)O)/CCC=C(C)C)C[C@H]([C@@H]1[C@]2(C)CC[C@@H]2[C@]1(C)CC[C@H]([C@H]2C)O)O)C" . "CC(=O)O[C@H]1C[C@]2([C@H](/C/1=C(/C(=O)O)/CCC=C(C)C)C[C@H]([C@@H]1[C@]2(C)CC[C@@H]2[C@]1(C)CC[C@H]([C@H]2C)O)O)C" . "IECPWNUMDGFDKC-MZJAQBGESA-N" . "InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1" . "[O-][N+](=O)c1ccc(o1)c1csc2=NCCn12" . "[O-][N+](=O)c1ccc(o1)c1csc2=NCCn12" . "QWNNGDMXFGRSPJ-UHFFFAOYSA-N" . "InChI=1S/C9H7N3O3S/c13-12(14)8-2-1-7(15-8)6-5-16-9-10-3-4-11(6)9/h1-2,5H,3-4H2" . "C[C@@H]1O[C@@H]1P(=O)(O)O" . "C[C@@H]1O[C@@H]1P(=O)(O)O" . "YMDXZJFXQJVXBF-STHAYSLISA-N" . "InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1" . "C[C@@H](c1cccc(c1O)C(C)C)C1CC1" . "C[C@@H](c1cccc(c1O)C(C)C)C1CC1" . "BMEARIQHWSVDBS-SNVBAGLBSA-N" . "InChI=1S/C14H20O/c1-9(2)12-5-4-6-13(14(12)15)10(3)11-7-8-11/h4-6,9-11,15H,7-8H2,1-3H3/t10-/m1/s1" . "CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2c1ccc(cn1)F)C(=O)O" . "CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2c1ccc(cn1)F)C(=O)O" . "AWCAUUQZTXYMPB-UHFFFAOYSA-N" . "InChI=1S/C20H18F2N4O3/c1-24-4-6-25(7-5-24)17-9-16-13(8-15(17)22)19(27)14(20(28)29)11-26(16)18-3-2-12(21)10-23-18/h2-3,8-11H,4-7H2,1H3,(H,28,29)" . "NC1CCN(C1)c1c(F)cc2c(c1Cl)n(cc(c2=O)C(=O)O)C1CC1" . "NC1CCN(C1)c1c(F)cc2c(c1Cl)n(cc(c2=O)C(=O)O)C1CC1" . "QGPKADBNRMWEQR-UHFFFAOYSA-N" . "InChI=1S/C17H17ClFN3O3/c18-13-14-10(5-12(19)15(13)21-4-3-8(20)6-21)16(23)11(17(24)25)7-22(14)9-1-2-9/h5,7-9H,1-4,6,20H2,(H,24,25)" . "CC(=O)C1=C(O)[C@@]2([C@H]([C@H](C1=O)N)Cc1c(C2=O)c(O)c2c(c1C)ccc(c2O)C)O" . "CC(=O)C1=C(O)[C@@]2([C@H]([C@H](C1=O)N)Cc1c(C2=O)c(O)c2c(c1C)ccc(c2O)C)O" . "LUYXWZOOMKBUMB-ONJZCGHCSA-N" . "InChI=1S/C22H21NO7/c1-7-4-5-10-8(2)11-6-12-16(23)19(27)13(9(3)24)20(28)22(12,30)21(29)15(11)18(26)14(10)17(7)25/h4-5,12,16,25-26,28,30H,6,23H2,1-3H3/t12-,16+,22+/m0/s1" . "Oc1ccccc1c1nc2ccnc(c2c(=O)n1C(Cc1ccccc1)C)C(F)(F)F" . "Oc1ccccc1c1nc2ccnc(c2c(=O)n1[C@@H](Cc1ccccc1)C)C(F)(F)F" . "KLURSWGCQQKDCT-CQSZACIVSA-N" . "InChI=1S/C23H18F3N3O2/c1-14(13-15-7-3-2-4-8-15)29-21(16-9-5-6-10-18(16)30)28-17-11-12-27-20(23(24,25)26)19(17)22(29)31/h2-12,14,30H,13H2,1H3/t14-/m1/s1" . "COC[C@H]1O[C@@H](O[C@@H]2OC[C@H]3[C@H]([C@H]2O)O[C@@]2(O3)OC[C@H]([C@H]3[C@H]2OCO3)OC(=O)c2c(C)cc(cc2O)O)[C@H]([C@H]([C@@H]1O[C@@H]1O[C@H](C)[C@@H]([C@@H]([C@H]1O)O[C@@H]1O[C@H](C)[C@@H]2[C@]([C@@H]1O)(C)O[C@]1(O2)C[C@@H](O)[C@@H]([C@H](O1)C)O[C@@H]1O[C@H](C)[C@H]([C@@H](C1)O[C@@H]1O[C@@H](C)[C@@H]([C@@](C1)(C)[N+](=O)[O-])OC)OC(=O)c1c(C)c(Cl)c(c(c1OC)Cl)O)OC)O)OC" . "COC[C@H]1O[C@@H](O[C@@H]2OC[C@H]3[C@H]([C@H]2O)O[C@@]2(O3)OC[C@H]([C@H]3[C@H]2OCO3)OC(=O)c2c(C)cc(cc2O)O)[C@H]([C@H]([C@@H]1O[C@@H]1O[C@H](C)[C@@H]([C@@H]([C@H]1O)O[C@@H]1O[C@H](C)[C@@H]2[C@]([C@@H]1O)(C)O[C@]1(O2)C[C@@H](O)[C@@H]([C@H](O1)C)O[C@@H]1O[C@H](C)[C@H]([C@@H](C1)O[C@@H]1O[C@@H](C)[C@@H]([C@@](C1)(C)[N+](=O)[O-])OC)OC(=O)c1c(C)c(Cl)c(c(c1OC)Cl)O)OC)O)OC" . "UPADRKHAIMTUCC-OWALTSPQSA-N" . "InChI=1S/C70H97Cl2NO38/c1-24-15-31(74)16-32(75)40(24)61(82)100-36-22-94-70(60-53(36)92-23-93-60)108-37-21-91-63(46(79)52(37)109-70)106-65-56(89-13)45(78)51(35(101-65)20-86-10)104-64-47(80)55(50(87-11)27(4)97-64)105-66-57(81)68(9)59(30(7)98-66)110-69(111-68)18-33(76)48(28(5)107-69)102-38-17-34(99-39-19-67(8,73(84)85)58(90-14)29(6)96-39)49(26(3)95-38)103-62(83)41-25(2)42(71)44(77)43(72)54(41)88-12/h15-16,26-30,33-39,45-53,55-60,63-66,74-81H,17-23H2,1-14H3/t26-,27-,28-,29+,30-,33-,34-,35-,36-,37+,38+,39+,45+,46-,47-,48-,49-,50+,51-,52-,53+,55-,56+,57-,58+,59-,60-,63+,64+,65+,66+,67+,68-,69-,70-/m1/s1" . "O=C(Nc1cc(F)c2c(c1O)C(=C1[C@@H](C2)C[C@@H]2[C@@](C1=O)(O)C(=C(C(=O)[C@H]2N(C)C)C(=O)N)O)O)CN1CCCC1" . "O=C(Nc1cc(F)c2c(c1O)C(=C1[C@@H](C2)C[C@@H]2[C@@](C1=O)(O)C(=C(C(=O)[C@H]2N(C)C)C(=O)N)O)O)CN1CCCC1" . "AKLMFDDQCHURPW-ISIOAQNYSA-N" . "InChI=1S/C27H31FN4O8/c1-31(2)20-13-8-11-7-12-14(28)9-15(30-16(33)10-32-5-3-4-6-32)21(34)18(12)22(35)17(11)24(37)27(13,40)25(38)19(23(20)36)26(29)39/h9,11,13,20,34-35,38,40H,3-8,10H2,1-2H3,(H2,29,39)(H,30,33)/t11-,13-,20-,27-/m0/s1" . "OCC(=O)N1CCN(CC1)c1ccc(cc1F)N1C[C@@H](OC1=O)CNC(=O)C" . "OCC(=O)N1CCN(CC1)c1ccc(cc1F)N1C[C@@H](OC1=O)CNC(=O)C" . "SIMWTRCFFSTNMG-AWEZNQCLSA-N" . "InChI=1S/C18H23FN4O5/c1-12(25)20-9-14-10-23(18(27)28-14)13-2-3-16(15(19)8-13)21-4-6-22(7-5-21)17(26)11-24/h2-3,8,14,24H,4-7,9-11H2,1H3,(H,20,25)/t14-/m0/s1" . "N[C@H]1C[C@@]2([C@H]1CN(C2)c1nc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O)C" . "N[C@H]1C[C@@]2([C@H]1CN(C2)c1nc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O)C" . "WNVIWAUAXKEKKF-PJFSTRORSA-N" . "InChI=1S/C19H21FN4O3/c1-19-5-14(21)12(19)7-23(8-19)17-13(20)4-10-15(25)11(18(26)27)6-24(9-2-3-9)16(10)22-17/h4,6,9,12,14H,2-3,5,7-8,21H2,1H3,(H,26,27)/t12-,14-,19-/m0/s1" . "CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2c1ccc(cc1)F)C(=O)O" . "CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2c1ccc(cc1)F)C(=O)O" . "NOCJXYPHIIZEHN-UHFFFAOYSA-N" . "InChI=1S/C21H19F2N3O3/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,28,29)" . "CC(=O)Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1OC(=O)C)C(=O)O" . "CC(=O)Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1OC(=O)C)C(=O)O" . "TYNLGDBUJLVSMA-UHFFFAOYSA-N" . "InChI=1S/C19H12O8/c1-8(20)26-13-5-3-4-11-15(13)18(23)16-12(17(11)22)6-10(19(24)25)7-14(16)27-9(2)21/h3-7H,1-2H3,(H,24,25)" . "OC1CN(C1)c1c(F)cc2c(c1Cl)n(cc(c2=O)C(=O)O)c1nc(N)c(cc1F)F" . "OC1CN(C1)c1c(F)cc2c(c1Cl)n(cc(c2=O)C(=O)O)c1nc(N)c(cc1F)F" . "DYDCPNMLZGFQTM-UHFFFAOYSA-N" . "InChI=1S/C18H12ClF3N4O4/c19-12-13-7(1-9(20)14(12)25-3-6(27)4-25)15(28)8(18(29)30)5-26(13)17-11(22)2-10(21)16(23)24-17/h1-2,5-6,27H,3-4H2,(H2,23,24)(H,29,30)" . "CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](N(C(=O)[C@H]3N(C1=O)CCC3)C)Cc1ccc(cc1)N(C)C)C[C@@H](CS[C@@H]1CN3CCC1CC3)C(=O)C2)c1ccccc1" . "CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](N(C(=O)[C@H]3N(C1=O)CCC3)C)Cc1ccc(cc1)N(C)C)C[C@@H](CS[C@@H]1CN3CCC1CC3)C(=O)C2)c1ccccc1" . "WTHRRGMBUAHGNI-LCYNINFDSA-N" . "InChI=1S/C53H67N9O10S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65)/t31-,35+,37-,38+,39+,40+,43-,44+,45+/m1/s1" . "CCN(CCS(=O)(=O)[C@@H]1CCN2[C@H]1C(=O)O[C@H](C(C)C)[C@H](C)/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc1nc(C2=O)co1)O)/C)CC" . "CCN(CCS(=O)(=O)[C@@H]1CCN2[C@H]1C(=O)O[C@H](C(C)C)[C@H](C)/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc1nc(C2=O)co1)O)/C)CC" . "SUYRLXYYZQTJHF-VMBLUXKRSA-N" . "InChI=1S/C34H50N4O9S/c1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/h9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b10-9+,12-11+,23-18+/t24-,25-,28-,31-,32-/m1/s1" . "CN1C(=O)CC(C1=O)(C)c1ccccc1" . "CN1C(=O)CC(C1=O)(C)c1ccccc1" . "AJXPJJZHWIXJCJ-UHFFFAOYSA-N" . "InChI=1S/C12H13NO2/c1-12(9-6-4-3-5-7-9)8-10(14)13(2)11(12)15/h3-7H,8H2,1-2H3" . "FC(=C)c1sc(c(c1Br)C)CNCCCNc1cc(=O)c2c([nH]1)cccc2" . "FC(=C)c1sc(c(c1Br)C)CNCCCNc1cc(=O)c2c([nH]1)cccc2" . "BGJMKHPWCFXMOW-UHFFFAOYSA-N" . "InChI=1S/C20H21BrFN3OS/c1-12-17(27-20(13(2)22)19(12)21)11-23-8-5-9-24-18-10-16(26)14-6-3-4-7-15(14)25-18/h3-4,6-7,10,23H,2,5,8-9,11H2,1H3,(H2,24,25,26)" . "CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@@H]2[C@]1(C)OC(=O)N2)C)C)(C)OC/C=C/c1cnc2c(c1)cccc2" . "CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@@H]2[C@]1(C)OC(=O)N2)C)C)(C)OC/C=C/c1cnc2c(c1)cccc2" . "PENDGIOBPJLVBT-ONLVEXIXSA-N" . "InChI=1S/C42H59N3O10/c1-11-32-42(8)36(44-40(50)55-42)25(4)33(46)23(2)21-41(7,51-18-14-15-28-20-29-16-12-13-17-30(29)43-22-28)37(26(5)34(47)27(6)38(49)53-32)54-39-35(48)31(45(9)10)19-24(3)52-39/h12-17,20,22-27,31-32,35-37,39,48H,11,18-19,21H2,1-10H3,(H,44,50)/b15-14+/t23-,24-,25+,26+,27-,31+,32-,35-,36-,37-,39+,41-,42-/m1/s1" . "Fc1ccc(c(c1)F)n1cc(C(=O)O)c(=O)c2c1cc(c(c2)F)N1C[C@H]([C@@H]1C)N" . "Fc1ccc(c(c1)F)n1cc(C(=O)O)c(=O)c2c1cc(c(c2)F)N1C[C@H]([C@@H]1C)N" . "LTDOHCZUKCZDEQ-BJOHPYRUSA-N" . "InChI=1S/C20H16F3N3O3/c1-9-15(24)8-25(9)18-6-17-11(5-14(18)23)19(27)12(20(28)29)7-26(17)16-3-2-10(21)4-13(16)22/h2-7,9,15H,8,24H2,1H3,(H,28,29)/t9-,15+/m0/s1" . "OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1ccnn1" . "OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1ccnn1" . "LPQZKKCYTLCDGQ-WEDXCCLWSA-N" . "InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1" . "NCCNC(=O)Nc1c[n+](n(c1N)C)CC1=C(C(=O)[O-])N2[C@H](SC1)[C@@H](C2=O)NC(=O)/C(=N/OC(C(=O)O)(C)C)/c1nsc(n1)N" . "NCCNC(=O)Nc1c[n+](n(c1N)C)CC1=C(C(=O)[O-])N2[C@H](SC1)[C@@H](C2=O)NC(=O)/C(=N/OC(C(=O)O)(C)C)/c1nsc(n1)N" . "JHFNIHVVXRKLEF-DCZLAGFPSA-N" . "InChI=1S/C23H30N12O8S2/c1-23(2,20(40)41)43-31-11(15-30-21(26)45-32-15)16(36)29-12-17(37)35-13(19(38)39)9(8-44-18(12)35)6-34-7-10(14(25)33(34)3)28-22(42)27-5-4-24/h7,12,18,25H,4-6,8,24H2,1-3H3,(H7,26,27,28,29,30,32,36,38,39,40,41,42)/b31-11-/t12-,18-/m1/s1" . "CO/N=C(/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC=C2C(=O)OCOC(=O)C(C)(C)C)/c1csc(n1)NC(=O)[C@@H](N)C" . "CO/N=C(/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC=C2C(=O)OCOC(=O)C(C)(C)C)/c1csc(n1)NC(=O)[C@@H](N)C" . "VOPANQNVVCPHQR-IVVGYLHBSA-N" . "InChI=1S/C22H28N6O8S2/c1-10(23)15(29)26-21-24-11(8-38-21)13(27-34-5)16(30)25-14-17(31)28-12(6-7-37-18(14)28)19(32)35-9-36-20(33)22(2,3)4/h6,8,10,14,18H,7,9,23H2,1-5H3,(H,25,30)(H,24,26,29)/b27-13-/t10-,14+,18+/m0/s1" . "CO/N=C(/c1csc(n1)N)/C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C(=O)O" . "CO/N=C(/c1csc(n1)N)/C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C(=O)O" . "NNULBSISHYWZJU-LLKWHZGFSA-N" . "InChI=1S/C13H13N5O5S2/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22)/b17-7-/t8-,11-/m1/s1" . "NC(=O)Cc1cccc(c1N)C(=O)c1ccccc1" . "NC(=O)Cc1cccc(c1N)C(=O)c1ccccc1" . "QEFAQIPZVLVERP-UHFFFAOYSA-N" . "InChI=1S/C15H14N2O2/c16-13(18)9-11-7-4-8-12(14(11)17)15(19)10-5-2-1-3-6-10/h1-8H,9,17H2,(H2,16,18)" . "O=CCn1c(S/C=C/C2=C(C(=O)O)N3[C@H](SC2)[C@@H](C3=O)NC(=O)/C(=N/OC)/c2csc(n2)N)n[nH]c(=O)c1=O" . "O=CCn1c(S/C=C/C2=C(C(=O)O)N3[C@H](SC2)[C@@H](C3=O)NC(=O)/C(=N/OC)/c2csc(n2)N)n[nH]c(=O)c1=O" . "WJXAHFZIHLTPFR-JLRJEBFFSA-N" . "InChI=1S/C20H18N8O8S3/c1-36-26-10(9-7-39-19(21)22-9)13(30)23-11-15(32)28-12(18(34)35)8(6-38-17(11)28)2-5-37-20-25-24-14(31)16(33)27(20)3-4-29/h2,4-5,7,11,17H,3,6H2,1H3,(H2,21,22)(H,23,30)(H,24,31)(H,34,35)/b5-2+,26-10-/t11-,17-/m1/s1" . "O=C([C@H](S(=O)(=O)O)c1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccc(cc1)C(=O)N" . "O=C([C@H](S(=O)(=O)O)c1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccc(cc1)C(=O)N" . "SYLKGLMBLAAGSC-QLVMHMETSA-N" . "InChI=1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/t15-,17-,21-/m1/s1" . "F[C@H](C(=O)O)ON1C(=O)N2C[C@H]1C(=C[C@@H]2C(=O)N)C" . "F[C@H](C(=O)O)ON1C(=O)N2C[C@H]1C(=C[C@@H]2C(=O)N)C" . "CZCMDCKIUIXEQC-VQVTYTSYSA-N" . "InChI=1S/C10H12FN3O5/c1-4-2-5(8(12)15)13-3-6(4)14(10(13)18)19-7(11)9(16)17/h2,5-7H,3H2,1H3,(H2,12,15)(H,16,17)/t5-,6+,7+/m1/s1" . "F[C@H](C(=O)OC(C)C)ON1C(=O)N2C[C@H]1C(=C[C@@H]2C(=O)N)C" . "F[C@H](C(=O)OC(C)C)ON1C(=O)N2C[C@H]1C(=C[C@@H]2C(=O)N)C" . "OMNVFPBGXYKTDB-UTLUCORTSA-N" . "InChI=1S/C13H18FN3O5/c1-6(2)21-12(19)10(14)22-17-9-5-16(13(17)20)8(11(15)18)4-7(9)3/h4,6,8-10H,5H2,1-3H3,(H2,15,18)/t8-,9+,10+/m1/s1" . "O=C([C@@H](c1ccccc1)NC(=O)c1nc[nH]c1C(=O)O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C[n+]1ccc(cc1)CCS(=O)(=O)[O-]" . "O=C([C@@H](c1ccccc1)NC(=O)c1nc[nH]c1C(=O)O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C[n+]1ccc(cc1)CCS(=O)(=O)[O-]" . "LNZMRLHZGOBKAN-KAWPREARSA-N" . "InChI=1S/C28H26N6O10S2/c35-23(18(16-4-2-1-3-5-16)31-24(36)19-20(27(38)39)30-14-29-19)32-21-25(37)34-22(28(40)41)17(13-45-26(21)34)12-33-9-6-15(7-10-33)8-11-46(42,43)44/h1-7,9-10,14,18,21,26H,8,11-13H2,(H5-,29,30,31,32,35,36,38,39,40,41,42,43,44)/t18-,21-,26-/m1/s1" . "COc1c(OC)ncnc1NS(=O)(=O)c1ccc(cc1)N" . "COc1c(OC)ncnc1NS(=O)(=O)c1ccc(cc1)N" . "PJSFRIWCGOHTNF-UHFFFAOYSA-N" . "InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)" . "Nc1nc(cs1)/C(=N/O)/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)SCSc1cn[nH]n1" . "Nc1nc(cs1)/C(=N/O)/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)SCSc1cn[nH]n1" . "UEQVTKSAEXANEZ-DKQCJYJNSA-N" . "InChI=1S/C15H14N8O5S4/c16-15-18-5(2-30-15)8(21-28)11(24)19-9-12(25)23-10(14(26)27)6(3-29-13(9)23)31-4-32-7-1-17-22-20-7/h1-2,9,13,28H,3-4H2,(H2,16,18)(H,19,24)(H,26,27)(H,17,20,22)/b21-8+/t9-,13-/m1/s1" . "FCO/N=C(/c1nsc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])/C=C/C[N+](CC(=O)N)(CC)C" . "FCO/N=C(/c1nsc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])/C=C/C[N+](CC(=O)N)(CC)C" . "XAKKNLNAJBNLPC-MAYKBZFQSA-N" . "InChI=1S/C20H25FN8O6S2/c1-3-29(2,7-11(22)30)6-4-5-10-8-36-18-13(17(32)28(18)14(10)19(33)34)24-16(31)12(26-35-9-21)15-25-20(23)37-27-15/h4-5,13,18H,3,6-9H2,1-2H3,(H5-,22,23,24,25,27,30,31,33,34)/b5-4+,26-12-/t13-,18-,29?/m1/s1" . "O=C1[C@@H](NC(=O)/C(=N/OC(C(=O)O)(C)C)/c2csc(n2)N)[C@@H]2N1C(=C(CS2)C[N+]1(CCCC1)CCNC(=O)c1ccc(c(c1Cl)O)O)C(=O)[O-]" . "O=C1[C@@H](NC(=O)/C(=N/OC(C(=O)O)(C)C)/c2csc(n2)N)[C@@H]2N1C(=C(CS2)C[N+]1(CCCC1)CCNC(=O)c1ccc(c(c1Cl)O)O)C(=O)[O-]" . "DBPPRLRVDVJOCL-FQRUVTKNSA-N" . "InChI=1S/C30H34ClN7O10S2/c1-30(2,28(46)47)48-36-19(16-13-50-29(32)34-16)24(42)35-20-25(43)37-21(27(44)45)14(12-49-26(20)37)11-38(8-3-4-9-38)10-7-33-23(41)15-5-6-17(39)22(40)18(15)31/h5-6,13,20,26H,3-4,7-12H2,1-2H3,(H7-,32,33,34,35,36,39,40,41,42,44,45,46,47)/t20-,26-/m1/s1" . "OC(=O)[C@H](c1ccc(c(c1)O)O)O/N=C(/c1csc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC=C2C(=O)O" . "OC(=O)[C@H](c1ccc(c(c1)O)O)O/N=C(/c1csc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC=C2C(=O)O" . "ILZCDOYRDFDUPN-UITOYEBDSA-N" . "InChI=1S/C20H17N5O9S2/c21-20-22-8(6-36-20)12(24-34-14(19(32)33)7-1-2-10(26)11(27)5-7)15(28)23-13-16(29)25-9(18(30)31)3-4-35-17(13)25/h1-3,5-6,13-14,17,26-27H,4H2,(H2,21,22)(H,23,28)(H,30,31)(H,32,33)/b24-12+/t13-,14+,17-/m1/s1" . "NCCNC1CCC(CC1)CC(=O)N[C@H]1Cc2cccc(c2OB1O)C(=O)O" . "NCCNC1CCC(CC1)CC(=O)N[C@H]1Cc2cccc(c2OB1O)C(=O)O" . "PFZUWUXKQPRWAL-PXCJXSSVSA-N" . "InChI=1S/C19H28BN3O5/c21-8-9-22-14-6-4-12(5-7-14)10-17(24)23-16-11-13-2-1-3-15(19(25)26)18(13)28-20(16)27/h1-3,12,14,16,22,27H,4-11,21H2,(H,23,24)(H,25,26)/t12?,14?,16-/m0/s1" . "NC(=O)O[C@H](c1ccccc1Cl)Cn1nncn1" . "NC(=O)O[C@H](c1ccccc1Cl)Cn1nncn1" . "GFHAXPJGXSQLPT-VIFPVBQESA-N" . "InChI=1S/C10H10ClN5O2/c11-8-4-2-1-3-7(8)9(18-10(12)17)5-16-14-6-13-15-16/h1-4,6,9H,5H2,(H2,12,17)/t9-/m0/s1" . "CO/N=C(/c1nsc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[N+]12CCC(CC1)(CC2)C(=O)N" . "CO/N=C(/c1nsc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[N+]12CCC(CC1)(CC2)C(=O)N" . "JUVHVMCKLDZLGN-TVNFHGJBSA-N" . "InChI=1S/C21H26N8O6S2/c1-35-26-11(14-25-20(23)37-27-14)15(30)24-12-16(31)28-13(18(32)33)10(9-36-17(12)28)8-29-5-2-21(3-6-29,4-7-29)19(22)34/h12,17H,2-9H2,1H3,(H5-,22,23,24,25,27,30,32,33,34)/b26-11-/t12-,17-,21?,29?/m1/s1" . "O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C)CSC(F)(F)F" . "O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C)CSC(F)(F)F" . "HGXLJRWXCXSEJO-GMSGAONNSA-N" . "InChI=1S/C13H13F3N6O4S3/c1-21-12(18-19-20-21)28-3-5-2-27-10-7(9(24)22(10)8(5)11(25)26)17-6(23)4-29-13(14,15)16/h7,10H,2-4H2,1H3,(H,17,23)(H,25,26)/t7-,10-/m1/s1" . "OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C" . "OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C" . "FKENQMMABCRJMK-RITPCOANSA-N" . "InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1" . "OC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)OCC1(O)CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O" . "OC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)OCC1(O)CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O" . "XWFCFMXQTBGXQW-GOSISDBHSA-N" . "InChI=1S/C29H29F2N3O8/c30-21-10-19-23(33(16-1-2-16)13-20(26(19)36)27(37)38)11-24(21)32-7-5-29(40,6-8-32)15-41-25-4-3-17(9-22(25)31)34-12-18(14-35)42-28(34)39/h3-4,9-11,13,16,18,35,40H,1-2,5-8,12,14-15H2,(H,37,38)/t18-/m1/s1" . "NCC[C@@H](CN[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)N)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O" . "NCC[C@@H](CN[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)N)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O" . "OCFOTEIMZBKQFS-DGMGPCKZSA-N" . "InChI=1S/C22H45N5O12/c23-2-1-7(29)5-27-9-3-8(25)19(38-22-17(34)16(33)14(31)10(4-24)36-22)18(35)20(9)39-21-15(32)12(26)13(30)11(6-28)37-21/h7-22,27-35H,1-6,23-26H2/t7-,8-,9+,10+,11+,12-,13+,14+,15+,16-,17+,18-,19+,20-,21+,22+/m0/s1" . "OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H]([C@H]([C@@H]3N=C(N)N)O)OC(=O)N)O[C@H]([C@]2(O)CO)C)[C@H]([C@@H]([C@H]1O)O)NC" . "OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H]([C@H]([C@@H]3N=C(N)N)O)OC(=O)N)O[C@H]([C@]2(O)CO)C)[C@H]([C@@H]([C@H]1O)O)NC" . "RQLDKUSQKQMFCN-AEXVNIBOSA-N" . "InChI=1S/C21H39N5O14/c1-5-21(35,4-28)16(40-17-8(25-2)10(30)9(29)6(3-27)37-17)18(36-5)38-14-7(26-19(22)23)11(31)15(39-20(24)34)13(33)12(14)32/h5-18,25,27-33,35H,3-4H2,1-2H3,(H2,24,34)(H4,22,23,26)/t5-,6-,7-,8-,9-,10-,11-,12+,13+,14+,15+,16-,17-,18-,21+/m0/s1" . "CO/N=C(/c1csc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[N+]1(C)CCCC1" . "CO/N=C(/c1csc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[N+]1(C)CCCC1" . "HVFLCNVBZFFHBT-ZKDACBOMSA-N" . "InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/b23-12-/t13-,17-/m1/s1" . "O=C(C(c1ccccc1)C(=O)O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C" . "O=C(C(c1ccccc1)C(=O)O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C" . "FPPNZSSZRUTDAP-UWFZAAFLSA-N" . "InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9?,10-,11+,14-/m1/s1" . "CN[C@@H]1[C@H](O[C@@H]2[C@@H]([C@@H]1O)O[C@@H]([C@@H](C2)N)O[C@@H]1[C@@H](N)C[C@H]([C@@H]([C@H]1O)O)N)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)N" . "CN[C@@H]1[C@H](O[C@@H]2[C@@H]([C@@H]1O)O[C@@H]([C@@H](C2)N)O[C@@H]1[C@@H](N)C[C@H]([C@@H]([C@H]1O)O)N)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)N" . "XZNUGFQTQHRASN-XQENGBIVSA-N" . "InChI=1S/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3/t5-,6+,7-,8+,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19+,20-,21-/m1/s1" . "O=C([C@@H](c1ccccc1)NC(=O)c1c[nH]c2c(c1=O)nccc2)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C" . "O=C([C@@H](c1ccccc1)NC(=O)c1c[nH]c2c(c1=O)nccc2)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C" . "XMQVYNAURODYCQ-SLFBBCNNSA-N" . "InChI=1S/C25H23N5O6S/c1-25(2)19(24(35)36)30-22(34)17(23(30)37-25)29-21(33)15(12-7-4-3-5-8-12)28-20(32)13-11-27-14-9-6-10-26-16(14)18(13)31/h3-11,15,17,19,23H,1-2H3,(H,27,31)(H,28,32)(H,29,33)(H,35,36)/t15-,17-,19+,23-/m1/s1" . "CNn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F" . "CNn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F" . "RUXPNBWPIRDVTH-UHFFFAOYSA-N" . "InChI=1S/C16H19FN4O3/c1-18-21-9-11(16(23)24)15(22)10-7-12(17)14(8-13(10)21)20-5-3-19(2)4-6-20/h7-9,18H,3-6H2,1-2H3,(H,23,24)" . "COc1ccc(cc1)n1nc(cc1c1ccc(cc1)Cl)C(F)(F)F" . "COc1ccc(cc1)n1nc(cc1c1ccc(cc1)Cl)C(F)(F)F" . "PQUGCKBLVKJMNT-UHFFFAOYSA-N" . "InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3" . "OC1CCN(CC1)c1c(F)cc2c3c1CC[C@@H](n3cc(c2=O)C(=O)O)C" . "OC1CCN(CC1)c1c(F)cc2c3c1CC[C@@H](n3cc(c2=O)C(=O)O)C" . "JYJTVFIEFKZWCJ-JTQLQIEISA-N" . "InChI=1S/C19H21FN2O4/c1-10-2-3-12-16-13(18(24)14(19(25)26)9-22(10)16)8-15(20)17(12)21-6-4-11(23)5-7-21/h8-11,23H,2-7H2,1H3,(H,25,26)/t10-/m0/s1" . "O=C([C@@H](N)C)OC1CCN(CC1)c1c(F)cc2c3c1CC[C@@H](n3cc(c2=O)C(=O)O)C" . "O=C([C@@H](N)C)OC1CCN(CC1)c1c(F)cc2c3c1CC[C@@H](n3cc(c2=O)C(=O)O)C" . "OUXXDXXQNWKOIF-RYUDHWBXSA-N" . "InChI=1S/C22H26FN3O5/c1-11-3-4-14-18-15(20(27)16(21(28)29)10-26(11)18)9-17(23)19(14)25-7-5-13(6-8-25)31-22(30)12(2)24/h9-13H,3-8,24H2,1-2H3,(H,28,29)/t11-,12-/m0/s1" . "O=C1CCc2c(N1)ncc(c2)/C=C/C(=O)N(Cc1oc2c(c1C)cccc2)C" . "O=C1CCc2c(N1)ncc(c2)/C=C/C(=O)N(Cc1oc2c(c1C)cccc2)C" . "QXTWSUQCXCWEHF-JXMROGBWSA-N" . "InChI=1S/C22H21N3O3/c1-14-17-5-3-4-6-18(17)28-19(14)13-25(2)21(27)10-7-15-11-16-8-9-20(26)24-22(16)23-12-15/h3-7,10-12H,8-9,13H2,1-2H3,(H,23,24,26)/b10-7+" . "NC/C(=C/1/CCCN(C1)c1c(F)cc2c(c1OC)n(cc(c2=O)C(=O)O)C1CC1)/F" . "NC/C(=C/1/CCCN(C1)c1c(F)cc2c(c1OC)n(cc(c2=O)C(=O)O)C1CC1)/F" . "VMKVDAAFMQKZJS-LFIBNONCSA-N" . "InChI=1S/C21H23F2N3O4/c1-30-20-17-13(19(27)14(21(28)29)10-26(17)12-4-5-12)7-15(22)18(20)25-6-2-3-11(9-25)16(23)8-24/h7,10,12H,2-6,8-9,24H2,1H3,(H,28,29)/b16-11+" . "CCCCCC[C@H](C(=O)O)Sc1nc2c(s1)cc(cc2)NS(=O)(=O)c1ccc(cc1Cl)Cl" . "CCCCCC[C@H](C(=O)O)Sc1nc2c(s1)cc(cc2)NS(=O)(=O)c1ccc(cc1Cl)Cl" . "GTNKAJJMCCFDIU-QGZVFWFLSA-N" . "InChI=1S/C21H22Cl2N2O4S3/c1-2-3-4-5-6-17(20(26)27)30-21-24-16-9-8-14(12-18(16)31-21)25-32(28,29)19-10-7-13(22)11-15(19)23/h7-12,17,25H,2-6H2,1H3,(H,26,27)/t17-/m1/s1" . "Clc1ccc(cc1)C1(O)CCN(CC1(C)C)CC/C=C/1/c2cc(ccc2OCc2c1cccn2)C(O)(C)C" . "Clc1ccc(cc1)C1(O)CCN(CC1(C)C)CC/C=C/1/c2cc(ccc2OCc2c1cccn2)C(O)(C)C" . "ZGFJFBOLVLFLLN-ZNLRHDTNSA-N" . "InChI=1S/C32H37ClN2O3/c1-30(2)21-35(18-15-32(30,37)22-9-12-24(33)13-10-22)17-6-8-25-26-7-5-16-34-28(26)20-38-29-14-11-23(19-27(25)29)31(3,4)36/h5,7-14,16,19,36-37H,6,15,17-18,20-21H2,1-4H3/b25-8+" . "O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](NC(=O)c1cc2c([nH]1)cccc2)Cc1ccccc1" . "O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](NC(=O)c1cc2c([nH]1)cccc2)Cc1ccccc1" . "BRFDPJYHCJVJEP-ZJOUEHCJSA-N" . "InChI=1S/C25H26N4O4/c30-15-19(13-18-10-11-26-23(18)31)27-24(32)21(12-16-6-2-1-3-7-16)29-25(33)22-14-17-8-4-5-9-20(17)28-22/h1-9,14-15,18-19,21,28H,10-13H2,(H,26,31)(H,27,32)(H,29,33)/t18-,19-,21-/m0/s1" . "Fc1cccc(c1)CNC(=O)C1CCN(CC1)[C@@H](c1cccc2c1cccc2)C" . "Fc1cccc(c1)CNC(=O)C1CCN(CC1)[C@@H](c1cccc2c1cccc2)C" . "XJTWGMHOQKGBDO-GOSISDBHSA-N" . "InChI=1S/C25H27FN2O/c1-18(23-11-5-8-20-7-2-3-10-24(20)23)28-14-12-21(13-15-28)25(29)27-17-19-6-4-9-22(26)16-19/h2-11,16,18,21H,12-15,17H2,1H3,(H,27,29)/t18-/m1/s1" . "O=C(C1CCCCCC1)N[C@H](C(=O)C(=O)N/N=C/1/SC[C@H](N1C)C)C1CCOCC1" . "O=C(C1CCCCCC1)N[C@H](C(=O)C(=O)N/N=C/1/SC[C@H](N1C)C)C1CCOCC1" . "BTZCSXIUAFVRTE-CHGLIHOBSA-N" . "InChI=1S/C21H34N4O4S/c1-14-13-30-21(25(14)2)24-23-20(28)18(26)17(15-9-11-29-12-10-15)22-19(27)16-7-5-3-4-6-8-16/h14-17H,3-13H2,1-2H3,(H,22,27)(H,23,28)/b24-21-/t14-,17+/m1/s1" . "COc1ccc2c(c1)n(CCCC(=O)N)c1c2ccnc1C" . "COc1ccc2c(c1)n(CCCC(=O)N)c1c2ccnc1C" . "MRZRJTZGNFPMNY-UHFFFAOYSA-N" . "InChI=1S/C17H19N3O2/c1-11-17-14(7-8-19-11)13-6-5-12(22-2)10-15(13)20(17)9-3-4-16(18)21/h5-8,10H,3-4,9H2,1-2H3,(H2,18,21)" . "CC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@H](CS(=O)(=O)CC1CC1)N[C@H](C(F)(F)F)c1ccc(cc1)F" . "CC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@H](CS(=O)(=O)CC1CC1)N[C@H](C(F)(F)F)c1ccc(cc1)F" . "PPUXXDKQNAHHON-BJLQDIEVSA-N" . "InChI=1S/C23H29F4N3O5S/c1-2-17(19(31)22(33)28-16-9-10-16)30-21(32)18(12-36(34,35)11-13-3-4-13)29-20(23(25,26)27)14-5-7-15(24)8-6-14/h5-8,13,16-18,20,29H,2-4,9-12H2,1H3,(H,28,33)(H,30,32)/t17-,18-,20-/m0/s1" . "O=C[C@@H](NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1)Cc1ccccc1" . "O=C[C@@H](NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1)Cc1ccccc1" . "NGBKFLTYGSREKK-PMACEKPBSA-N" . "InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19-,20-/m0/s1" . "COc1nn(cc1Nc1nccc(n1)c1c[nH]c2c1cccc2NC(=O)[C@H](N1CCN(CC1)C)C)C" . "COc1nn(cc1Nc1nccc(n1)c1c[nH]c2c1cccc2NC(=O)[C@H](N1CCN(CC1)C)C)C" . "CVCVOSPZEVINRM-MRXNPFEDSA-N" . "InChI=1S/C25H31N9O2/c1-16(34-12-10-32(2)11-13-34)23(35)28-20-7-5-6-17-18(14-27-22(17)20)19-8-9-26-25(29-19)30-21-15-33(3)31-24(21)36-4/h5-9,14-16,27H,10-13H2,1-4H3,(H,28,35)(H,26,29,30)/t16-/m1/s1" . "Cc1nnn(c1c1cnc2c(c1)n([C@H](c1ccccc1)C1CCOCC1)c1c2c2cnn(c2cc1)C)C" . "Cc1nnn(c1c1cnc2c(c1)n([C@H](c1ccccc1)C1CCOCC1)c1c2c2cnn(c2cc1)C)C" . "BBKUPPVLTRGWDN-GDLZYMKVSA-N" . "InChI=1S/C29H29N7O/c1-18-28(35(3)33-32-18)21-15-25-27(30-16-21)26-22-17-31-34(2)23(22)9-10-24(26)36(25)29(19-7-5-4-6-8-19)20-11-13-37-14-12-20/h4-10,15-17,20,29H,11-14H2,1-3H3/t29-/m1/s1" . "C=CCN1CCc2c(C(C1)c1ccccc1)cc(c(c2Cl)O)O" . "C=CCN1CCc2c(C(C1)c1ccccc1)cc(c(c2Cl)O)O" . "HJWHHQIVUHOBQN-UHFFFAOYSA-N" . "InChI=1S/C19H20ClNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2" . "COc1cc(ccc1c1cnco1)NC(=O)Nc1cccc(c1)CNC(=O)O[C@@H]1COCC1" . "COc1cc(ccc1c1cnco1)NC(=O)Nc1cccc(c1)CNC(=O)O[C@@H]1COCC1" . "JBPUGFODGPKTDW-SFHVURJKSA-N" . "InChI=1S/C23H24N4O6/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28)/t18-/m0/s1" . "COc1ccc(c(c1Cl)Cl)[C@@H](NC(=O)N([C@@H]1CCN(CC1(C)C)C)C)C" . "COc1ccc(c(c1Cl)Cl)[C@@H](NC(=O)N([C@@H]1CCN(CC1(C)C)C)C)C" . "WGIAKIIMCPKJQN-SWLSCSKDSA-N" . "InChI=1S/C19H29Cl2N3O2/c1-12(13-7-8-14(26-6)17(21)16(13)20)22-18(25)24(5)15-9-10-23(4)11-19(15,2)3/h7-8,12,15H,9-11H2,1-6H3,(H,22,25)/t12-,15+/m0/s1" . "O=C1Nc2c(C1=NNc1nc3c(o1)cccc3)cccc2" . "O=C1Nc2c(C1=NNc1nc3c(o1)cccc3)cccc2" . "NWUCBUGDPJNKAC-UHFFFAOYSA-N" . "InChI=1S/C15H10N4O2/c20-14-13(9-5-1-2-6-10(9)16-14)18-19-15-17-11-7-3-4-8-12(11)21-15/h1-8H,(H,17,19)(H,16,18,20)" . "CNC(=O)c1ccc(nc1)Oc1ccc2c(c1)CCN(CC2)C1CCC1" . "CNC(=O)c1ccc(nc1)Oc1ccc2c(c1)CCN(CC2)C1CCC1" . "WROHEWWOCPRMIA-UHFFFAOYSA-N" . "InChI=1S/C21H25N3O2/c1-22-21(25)17-6-8-20(23-14-17)26-19-7-5-15-9-11-24(18-3-2-4-18)12-10-16(15)13-19/h5-8,13-14,18H,2-4,9-12H2,1H3,(H,22,25)" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)NO" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)NO" . "XCUAIINAJCDIPM-XVFCMESISA-N" . "InChI=1S/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6-,7-,8-/m1/s1" . "C/C(=C/CC[C@]1(C)CCc2c(O1)c(C)cc(c2)O)/CC/C=C(/CC/C=C(/C(=O)O)/C)/C" . "C/C(=C/CC[C@]1(C)CCc2c(O1)c(C)cc(c2)O)/CC/C=C(/CC/C=C(/C(=O)O)/C)/C" . "QOFWRHWADNWKSU-LRXIOGKNSA-N" . "InChI=1S/C27H38O4/c1-19(11-7-13-21(3)26(29)30)9-6-10-20(2)12-8-15-27(5)16-14-23-18-24(28)17-22(4)25(23)31-27/h9,12-13,17-18,28H,6-8,10-11,14-16H2,1-5H3,(H,29,30)/b19-9+,20-12+,21-13+/t27-/m1/s1" . "NCCC1CCN(CC1)C(=O)[C@H](NS(=O)(=O)c1cccc(c1)C1=CCC(C=C1Cl)Cl)Cc1cccc(c1)C(=N)N" . "NCCC1CCN(CC1)C(=O)[C@H](NS(=O)(=O)c1cccc(c1)C1=CCC(C=C1Cl)Cl)Cc1cccc(c1)C(=N)N" . "LMPUOHRYPACLDR-IQHZPMLTSA-N" . "InChI=1S/C29H35Cl2N5O3S/c30-23-7-8-25(26(31)18-23)21-4-2-6-24(17-21)40(38,39)35-27(16-20-3-1-5-22(15-20)28(33)34)29(37)36-13-10-19(9-12-32)11-14-36/h1-6,8,15,17-19,23,27,35H,7,9-14,16,32H2,(H3,33,34)/t23?,27-/m1/s1" . "ClCC(=O)Nc1ccc(c(c1)S(=O)(=O)N1CCOCC1)C(F)(F)F" . "ClCC(=O)Nc1ccc(c(c1)S(=O)(=O)N1CCOCC1)C(F)(F)F" . "XVPZEJHHJYHMIV-UHFFFAOYSA-N" . "InChI=1S/C13H14ClF3N2O4S/c14-8-12(20)18-9-1-2-10(13(15,16)17)11(7-9)24(21,22)19-3-5-23-6-4-19/h1-2,7H,3-6,8H2,(H,18,20)" . "COC(=O)[C@@H]([C@H](NC(=O)c1ccc(cc1)c1cc[n+](cc1)[O-])C)Cc1cccc(c1)C(=N)N" . "COC(=O)[C@@H]([C@H](NC(=O)c1ccc(cc1)c1cc[n+](cc1)[O-])C)Cc1cccc(c1)C(=N)N" . "PFGVNLZDWRZPJW-OPAMFIHVSA-N" . "InChI=1S/C25H26N4O4/c1-16(22(25(31)33-2)15-17-4-3-5-21(14-17)23(26)27)28-24(30)20-8-6-18(7-9-20)19-10-12-29(32)13-11-19/h3-14,16,22H,15H2,1-2H3,(H3,26,27)(H,28,30)/t16-,22-/m1/s1" . "CCCN1CCC=C(C1)c1onc(c1)c1ccc(cc1)C" . "CCCN1CCC=C(C1)c1onc(c1)c1ccc(cc1)C" . "FOQRKFCLRMMKAT-UHFFFAOYSA-N" . "InChI=1S/C18H22N2O/c1-3-10-20-11-4-5-16(13-20)18-12-17(19-21-18)15-8-6-14(2)7-9-15/h5-9,12H,3-4,10-11,13H2,1-2H3" . "CCNC(=O)c1cc2c([nH]1)c(=O)n(cc2c1cc(ccc1Oc1c(C)cc(cc1C)F)C(O)(C)C)C" . "CCNC(=O)c1cc2c([nH]1)c(=O)n(cc2c1cc(ccc1Oc1c(C)cc(cc1C)F)C(O)(C)C)C" . "OEDSFMUSNZDJFD-UHFFFAOYSA-N" . "InChI=1S/C28H30FN3O4/c1-7-30-26(33)22-13-20-21(14-32(6)27(34)24(20)31-22)19-12-17(28(4,5)35)8-9-23(19)36-25-15(2)10-18(29)11-16(25)3/h8-14,31,35H,7H2,1-6H3,(H,30,33)" . "O=C(Nc1cc(ccc1S(=O)(=O)C)C(F)(F)F)Nc1cnc(nc1)Oc1ccc(cc1)c1cc(Cl)cnc1N" . "O=C(Nc1cc(ccc1S(=O)(=O)C)C(F)(F)F)Nc1cnc(nc1)Oc1ccc(cc1)c1cc(Cl)cnc1N" . "GYPOVJZOMXEUDO-UHFFFAOYSA-N" . "InChI=1S/C24H18ClF3N6O4S/c1-39(36,37)20-7-4-14(24(26,27)28)8-19(20)34-22(35)33-16-11-31-23(32-12-16)38-17-5-2-13(3-6-17)18-9-15(25)10-30-21(18)29/h2-12H,1H3,(H2,29,30)(H2,33,34,35)" . "O[C@@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOCCNC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C)C(=O)NCc1ccc(cc1)c1scnc1C" . "O[C@@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOCCNC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C)C(=O)NCc1ccc(cc1)c1scnc1C" . "PTAMRJLIOCHJMQ-PYNGZGNASA-N" . "InChI=1S/C49H60ClN9O8S2/c1-28-30(3)69-48-41(28)42(33-12-14-35(50)15-13-33)54-37(45-57-56-31(4)59(45)48)23-39(61)51-16-17-65-18-19-66-20-21-67-26-40(62)55-44(49(5,6)7)47(64)58-25-36(60)22-38(58)46(63)52-24-32-8-10-34(11-9-32)43-29(2)53-27-68-43/h8-15,27,36-38,44,60H,16-26H2,1-7H3,(H,51,61)(H,52,63)(H,55,62)/t36-,37+,38+,44-/m1/s1" . "Fc1ccc(cc1)C(N1CCN(CC1)C1CCCCC1)Cc1ccccc1" . "Fc1ccc(cc1)C(N1CCN(CC1)C1CCCCC1)Cc1ccccc1" . "AGKZEOCNYCHVLW-UHFFFAOYSA-N" . "InChI=1S/C24H31FN2/c25-22-13-11-21(12-14-22)24(19-20-7-3-1-4-8-20)27-17-15-26(16-18-27)23-9-5-2-6-10-23/h1,3-4,7-8,11-14,23-24H,2,5-6,9-10,15-19H2" . "Fc1cccc(c1)C(N1CCN(CC1)C1CCCCC1)Cc1ccccc1" . "Fc1cccc(c1)C(N1CCN(CC1)C1CCCCC1)Cc1ccccc1" . "CGVHPULMBGGZPI-UHFFFAOYSA-N" . "InChI=1S/C24H31FN2/c25-22-11-7-10-21(19-22)24(18-20-8-3-1-4-9-20)27-16-14-26(15-17-27)23-12-5-2-6-13-23/h1,3-4,7-11,19,23-24H,2,5-6,12-18H2" . "Fc1ccccc1C(N1CCN(CC1)C1CCCCC1)Cc1ccccc1" . "Fc1ccccc1C(N1CCN(CC1)C1CCCCC1)Cc1ccccc1" . "BZESPHAKQKJBSM-UHFFFAOYSA-N" . "InChI=1S/C24H31FN2/c25-23-14-8-7-13-22(23)24(19-20-9-3-1-4-10-20)27-17-15-26(16-18-27)21-11-5-2-6-12-21/h1,3-4,7-10,13-14,21,24H,2,5-6,11-12,15-19H2" . "C1CCC(CC1)N1CCN(CC1)C(c1ccccc1)Cc1ccccc1" . "C1CCC(CC1)N1CCN(CC1)C(c1ccccc1)Cc1ccccc1" . "IGBRRSIHEGCUEN-UHFFFAOYSA-N" . "InChI=1S/C24H32N2/c1-4-10-21(11-5-1)20-24(22-12-6-2-7-13-22)26-18-16-25(17-19-26)23-14-8-3-9-15-23/h1-2,4-7,10-13,23-24H,3,8-9,14-20H2" . "Clc1ccc(c(c1)c1cn[nH]c1N)Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1" . "Clc1ccc(c(c1)c1cn[nH]c1N)Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1" . "ZYSCOUXLBXGGIM-UHFFFAOYSA-N" . "InChI=1S/C18H12Cl2FN5O3S2/c19-9-1-2-14(10(3-9)11-6-24-25-18(11)22)29-15-5-13(21)16(4-12(15)20)31(27,28)26-17-7-30-8-23-17/h1-8,26H,(H3,22,24,25)" . "Cc1c([C@H]2COC(=N2)N)cccc1F" . "Cc1c([C@H]2COC(=N2)N)cccc1F" . "IOHOUWIYOVWGHV-SECBINFHSA-N" . "InChI=1S/C10H11FN2O/c1-6-7(3-2-4-8(6)11)9-5-14-10(12)13-9/h2-4,9H,5H2,1H3,(H2,12,13)/t9-/m1/s1" . "Cn1nnc(n1)N(Cc1cc2cccc(c2nc1N(CC1CC1)CC1CC1)C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "Cn1nnc(n1)N(Cc1cc2cccc(c2nc1N(CC1CC1)CC1CC1)C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "OCNBSSLDAIWTKS-UHFFFAOYSA-N" . "InChI=1S/C30H31F6N7/c1-18-4-3-5-22-12-23(27(37-26(18)22)42(14-19-6-7-19)15-20-8-9-20)17-43(28-38-40-41(2)39-28)16-21-10-24(29(31,32)33)13-25(11-21)30(34,35)36/h3-5,10-13,19-20H,6-9,14-17H2,1-2H3" . "O=C(OC(C)(C)C)Nc1cccn(c1=O)[C@H](C(=O)N[C@H]([C@H](C(=O)NCc1ccccc1)O)C[C@@H]1CCNC1=O)CC1CC1" . "O=C(OC(C)(C)C)Nc1cccn(c1=O)[C@H](C(=O)N[C@H]([C@H](C(=O)NCc1ccccc1)O)C[C@@H]1CCNC1=O)CC1CC1" . "FRACPXUHUTXLCX-BELIEFIBSA-N" . "InChI=1S/C31H41N5O7/c1-31(2,3)43-30(42)35-22-10-7-15-36(29(22)41)24(16-19-11-12-19)27(39)34-23(17-21-13-14-32-26(21)38)25(37)28(40)33-18-20-8-5-4-6-9-20/h4-10,15,19,21,23-25,37H,11-14,16-18H2,1-3H3,(H,32,38)(H,33,40)(H,34,39)(H,35,42)/t21-,23-,24-,25+/m0/s1" . "ClCC(=O)Nc1ccc(c(c1)S(=O)(=O)N(C)C)Cl" . "ClCC(=O)Nc1ccc(c(c1)S(=O)(=O)N(C)C)Cl" . "YEHYODCKTNLFQU-UHFFFAOYSA-N" . "InChI=1S/C10H12Cl2N2O3S/c1-14(2)18(16,17)9-5-7(3-4-8(9)12)13-10(15)6-11/h3-5H,6H2,1-2H3,(H,13,15)" . "CCCCCCNc1cc(=O)[nH]c(=O)[nH]1" . "CCCCCCNc1cc(=O)[nH]c(=O)[nH]1" . "SDXQSUJXSHUIBQ-UHFFFAOYSA-N" . "InChI=1S/C10H17N3O2/c1-2-3-4-5-6-11-8-7-9(14)13-10(15)12-8/h7H,2-6H2,1H3,(H3,11,12,13,14,15)" . "NC(=O)c1cccc(c1)C(=C1CCN(CC1)Cc1scnc1)c1ccc(cc1)C(=O)N(C)C" . "NC(=O)c1cccc(c1)C(=C1CCN(CC1)Cc1scnc1)c1ccc(cc1)C(=O)N(C)C" . "ACDBSKNTCSNAAV-UHFFFAOYSA-N" . "InChI=1S/C26H28N4O2S/c1-29(2)26(32)20-8-6-18(7-9-20)24(21-4-3-5-22(14-21)25(27)31)19-10-12-30(13-11-19)16-23-15-28-17-33-23/h3-9,14-15,17H,10-13,16H2,1-2H3,(H2,27,31)" . "CC(C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)/C=C/C(=O)OCc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)c1noc(c1)C)C)C" . "CC(C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)/C=C/C(=O)OCc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)c1noc(c1)C)C)C" . "IDBWWEGDLCFCTD-NQJFWITJSA-N" . "InChI=1S/C35H48N6O8/c1-20(2)16-27(39-35(47)30(21(3)4)40-31(43)23(6)37-34(46)28-17-22(5)49-41-28)33(45)38-26(18-25-14-15-36-32(25)44)12-13-29(42)48-19-24-10-8-7-9-11-24/h7-13,17,20-21,23,25-27,30H,14-16,18-19H2,1-6H3,(H,36,44)(H,37,46)(H,38,45)(H,39,47)(H,40,43)/b13-12-/t23-,25-,26+,27-,30-/m0/s1" . "CCC(COC(=O)[C@@H](N[P@@](=O)(Oc1ccccc1)OC[C@H]1O[C@@]([C@@H]([C@@H]1O)O)(C#N)c1ccc2n1ncnc2N)C)CC" . "CCC(COC(=O)[C@@H](N[P@@](=O)(Oc1ccccc1)OC[C@H]1O[C@@]([C@@H]([C@@H]1O)O)(C#N)c1ccc2n1ncnc2N)C)CC" . "RWWYLEGWBNMMLJ-YSOARWBDSA-N" . "InChI=1S/C27H35N6O8P/c1-4-18(5-2)13-38-26(36)17(3)32-42(37,41-19-9-7-6-8-10-19)39-14-21-23(34)24(35)27(15-28,40-21)22-12-11-20-25(29)30-16-31-33(20)22/h6-12,16-18,21,23-24,34-35H,4-5,13-14H2,1-3H3,(H,32,37)(H2,29,30,31)/t17-,21+,23+,24+,27-,42-/m0/s1" . "CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)NCCC(C)C)CC(C)C" . "CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)NCCC(C)C)CC(C)C" . "SRVFFFJZQVENJC-IHRRRGAJSA-N" . "InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1" . "CC(OC(=O)N[C@H](C(=O)NCCOCCOc1cc2CCN[C@](c2cc1Oc1ccc(c(c1)F)c1ccc(cc1)C(=O)O)(C)CC(=O)Nc1nccs1)CCCN/C(=N/C(=O)OC(C)(C)C)/NC(=O)OC(C)(C)C)(C)C" . "CC(OC(=O)N[C@H](C(=O)NCCOCCOc1cc2CCN[C@](c2cc1Oc1ccc(c(c1)F)c1ccc(cc1)C(=O)O)(C)CC(=O)Nc1nccs1)CCCN/C(=N/C(=O)OC(C)(C)C)/NC(=O)OC(C)(C)C)(C)C" . "BOAJXEFAPWTSFX-FXASYPJLSA-N" . "InChI=1S/C53H69FN8O13S/c1-50(2,3)73-47(67)59-39(12-11-20-56-45(61-48(68)74-51(4,5)6)62-49(69)75-52(7,8)9)43(64)55-22-24-70-25-26-71-40-28-34-19-21-58-53(10,31-42(63)60-46-57-23-27-76-46)37(34)30-41(40)72-35-17-18-36(38(54)29-35)32-13-15-33(16-14-32)44(65)66/h13-18,23,27-30,39,58H,11-12,19-22,24-26,31H2,1-10H3,(H,55,64)(H,59,67)(H,65,66)(H,57,60,63)(H2,56,61,62,68,69)/t39-,53+/m0/s1" . "O[C@H]1CCCC[C@@H]1n1cnc2c(c1=O)cc(c1c2cccc1)Cc1ccc(nc1)C" . "O[C@H]1CCCC[C@@H]1n1cnc2c(c1=O)cc(c1c2cccc1)Cc1ccc(nc1)C" . "JUVQLZBJFOGEEO-GOTSBHOMSA-N" . "InChI=1S/C25H25N3O2/c1-16-10-11-17(14-26-16)12-18-13-21-24(20-7-3-2-6-19(18)20)27-15-28(25(21)30)22-8-4-5-9-23(22)29/h2-3,6-7,10-11,13-15,22-23,29H,4-5,8-9,12H2,1H3/t22-,23-/m0/s1" . "O[C@H]1CCC[C@@H]1N1COc2c(C1=O)cc(c(c2Cl)C)Cc1ccc(nc1)Cl" . "O[C@H]1CCC[C@@H]1N1COc2c(C1=O)cc(c(c2Cl)C)Cc1ccc(nc1)Cl" . "BWJHJLINOYAPEG-HOTGVXAUSA-N" . "InChI=1S/C20H20Cl2N2O3/c1-11-13(7-12-5-6-17(21)23-9-12)8-14-19(18(11)22)27-10-24(20(14)26)15-3-2-4-16(15)25/h5-6,8-9,15-16,25H,2-4,7,10H2,1H3/t15-,16-/m0/s1" . "CCO[C@H]1CCN([C@@H](C1)c1ccc(cc1)C(=O)O)Cc1c(OC)cc(c2c1cc[nH]2)C" . "CCO[C@H]1CCN([C@@H](C1)c1ccc(cc1)C(=O)O)Cc1c(OC)cc(c2c1cc[nH]2)C" . "RENRQMCACQEWFC-UGKGYDQZSA-N" . "InChI=1S/C25H30N2O4/c1-4-31-19-10-12-27(22(14-19)17-5-7-18(8-6-17)25(28)29)15-21-20-9-11-26-24(20)16(2)13-23(21)30-3/h5-9,11,13,19,22,26H,4,10,12,14-15H2,1-3H3,(H,28,29)/t19-,22-/m0/s1" . "COc1cc(ccc1OC)c1cnn2c1nc(NC1CC(C)(C)N(C(C1)(C)C)C)c(c2N)c1ccccc1" . "COc1cc(ccc1OC)c1cnn2c1nc(NC1CC(C)(C)N(C(C1)(C)C)C)c(c2N)c1ccccc1" . "YRBWLEAMGAGYBK-UHFFFAOYSA-N" . "InChI=1S/C30H38N6O2/c1-29(2)16-21(17-30(3,4)35(29)5)33-27-25(19-11-9-8-10-12-19)26(31)36-28(34-27)22(18-32-36)20-13-14-23(37-6)24(15-20)38-7/h8-15,18,21H,16-17,31H2,1-7H3,(H,33,34)" . "Brc1cccc(c1)Nc1nc(SCCN2CCOCC2)nc2c1cnn2CC(c1ccccc1)Cl" . "Brc1cccc(c1)Nc1nc(SCCN2CCOCC2)nc2c1cnn2CC(c1ccccc1)Cl" . "TWWILBWAYDXBCM-UHFFFAOYSA-N" . "InChI=1S/C25H26BrClN6OS/c26-19-7-4-8-20(15-19)29-23-21-16-28-33(17-22(27)18-5-2-1-3-6-18)24(21)31-25(30-23)35-14-11-32-9-12-34-13-10-32/h1-8,15-16,22H,9-14,17H2,(H,29,30,31)" . "O[C@@H]1[C@H](O)[C@H](O[C@H]1n1ncc2c1nc(Cl)cc2N[C@H](c1ccccc1F)C)COP(=O)(CP(=O)(O)O)O" . "O[C@@H]1[C@H](O)[C@H](O[C@H]1n1ncc2c1nc(Cl)cc2N[C@H](c1ccccc1F)C)COP(=O)(CP(=O)(O)O)O" . "MFYLCAMJNGIULC-KCVUFLITSA-N" . "InChI=1S/C20H24ClFN4O9P2/c1-10(11-4-2-3-5-13(11)22)24-14-6-16(21)25-19-12(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1" . "O[C@@H]1[C@@H](COP(=O)(CP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1nc(I)nc2N" . "O[C@@H]1[C@@H](COP(=O)(CP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1nc(I)nc2N" . "OJRUSAPKCPIVBY-KQYNXXCUSA-N" . "InChI=1S/C11H16IN5O9P2/c12-11-15-8(13)5-9(16-11)17(2-14-5)10-7(19)6(18)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4,6-7,10,18-19H,1,3H2,(H,23,24)(H2,13,15,16)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1" . "O=C(N[C@H](C(=O)N[C@H](C(=O)C(=O)NCc1ccccc1)C[C@@H]1CCNC1=O)CC1CCCCC1)/C=C/c1ccccc1" . "O=C(N[C@H](C(=O)N[C@H](C(=O)C(=O)NCc1ccccc1)C[C@@H]1CCNC1=O)CC1CCCCC1)/C=C/c1ccccc1" . "QTGORSKTHIBLJT-FIVJMQNTSA-N" . "InChI=1S/C33H40N4O5/c38-29(17-16-23-10-4-1-5-11-23)36-28(20-24-12-6-2-7-13-24)32(41)37-27(21-26-18-19-34-31(26)40)30(39)33(42)35-22-25-14-8-3-9-15-25/h1,3-5,8-11,14-17,24,26-28H,2,6-7,12-13,18-22H2,(H,34,40)(H,35,42)(H,36,38)(H,37,41)/b17-16+/t26-,27-,28-/m0/s1" . "O=C(N1CCC(CC1)n1c(=O)[nH]c2c1cccn2)O[C@@H]1CC[C@H]([C@@H](c2c1nccc2)N)c1cccc(c1F)F" . "O=C(N1CCC(CC1)n1c(=O)[nH]c2c1cccn2)O[C@@H]1CC[C@H]([C@@H](c2c1nccc2)N)c1cccc(c1F)F" . "KRNAOFGYEFKHPB-ANJVHQHFSA-N" . "InChI=1S/C28H28F2N6O3/c29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(24(18)31)5-2-12-32-25)39-28(38)35-14-10-16(11-15-35)36-21-7-3-13-33-26(21)34-27(36)37/h1-7,12-13,16,18,22,24H,8-11,14-15,31H2,(H,33,34,37)/t18-,22+,24-/m0/s1" . "[O-][N+](=O)c1cnc(s1)Sc1nnc(s1)N" . "[O-][N+](=O)c1cnc(s1)Sc1nnc(s1)N" . "NQQBNZBOOHHVQP-UHFFFAOYSA-N" . "InChI=1S/C5H3N5O2S3/c6-3-8-9-5(14-3)15-4-7-1-2(13-4)10(11)12/h1H,(H2,6,8)" . "Fc1ccc2c(c1)c(=O)cc(o2)C(=O)NCC1(O)CCC(CC1)(F)F" . "Fc1ccc2c(c1)c(=O)cc(o2)C(=O)NCC1(O)CCC(CC1)(F)F" . "PJBRCGHQNUWERQ-UHFFFAOYSA-N" . "InChI=1S/C17H16F3NO4/c18-10-1-2-13-11(7-10)12(22)8-14(25-13)15(23)21-9-16(24)3-5-17(19,20)6-4-16/h1-2,7-8,24H,3-6,9H2,(H,21,23)" . "COc1ncc(cc1NS(=O)(=O)c1ccc(cc1F)F)c1ccc2n(c1)c(cn2)c1nnc(o1)CCN1CCN(CC1)C" . "COc1ncc(cc1NS(=O)(=O)c1ccc(cc1F)F)c1ccc2n(c1)c(cn2)c1nnc(o1)CCN1CCN(CC1)C" . "LSPJWTULWKYRTQ-UHFFFAOYSA-N" . "InChI=1S/C28H28F2N8O4S/c1-36-9-11-37(12-10-36)8-7-26-33-34-28(42-26)23-16-31-25-6-3-18(17-38(23)25)19-13-22(27(41-2)32-15-19)35-43(39,40)24-5-4-20(29)14-21(24)30/h3-6,13-17,35H,7-12H2,1-2H3" . "COc1ccc2c(c1)c1CCN=C(c1n2Cc1ccc(cc1)Cl)C" . "COc1ccc2c(c1)c1CCN=C(c1n2Cc1ccc(cc1)Cl)C" . "SRMUEFRMPPZYOH-UHFFFAOYSA-N" . "InChI=1S/C20H19ClN2O/c1-13-20-17(9-10-22-13)18-11-16(24-2)7-8-19(18)23(20)12-14-3-5-15(21)6-4-14/h3-8,11H,9-10,12H2,1-2H3" . "Clc1ccc(cn1)OCC1CC2C(N1)C2" . "Clc1ccc(cn1)OCC1CC2C(N1)C2" . "PYSCVJMLJRHJGJ-UHFFFAOYSA-N" . "InChI=1S/C11H13ClN2O/c12-11-2-1-9(5-13-11)15-6-8-3-7-4-10(7)14-8/h1-2,5,7-8,10,14H,3-4,6H2" . "O=C1N(CCc2c3c1cccc3n[nH]2)[C@@H]1CN2CCC1CC2" . "O=C1N(CCc2c3c1cccc3n[nH]2)[C@@H]1CN2CCC1CC2" . "WHLXDRXTKZLGFK-OAHLLOKOSA-N" . "InChI=1S/C17H20N4O/c22-17-12-2-1-3-13-16(12)14(19-18-13)6-9-21(17)15-10-20-7-4-11(15)5-8-20/h1-3,11,15H,4-10H2,(H,18,19)/t15-/m1/s1" . "OCC([C@H](NC(=O)c1cccc(c1c1[nH]nc(c1)c1ccc(cc1)F)F)Cn1nccn1)(F)F" . "OCC([C@H](NC(=O)c1cccc(c1c1[nH]nc(c1)c1ccc(cc1)F)F)Cn1nccn1)(F)F" . "UEPRFRHXFVOHAM-LJQANCHMSA-N" . "InChI=1S/C22H18F4N6O2/c23-14-6-4-13(5-7-14)17-10-18(31-30-17)20-15(2-1-3-16(20)24)21(34)29-19(22(25,26)12-33)11-32-27-8-9-28-32/h1-10,19,33H,11-12H2,(H,29,34)(H,30,31)/t19-/m1/s1" . "O=C(Nc1ccc(cc1)I)COc1ccccc1C(=O)NCC(=O)N(c1ccccc1)C" . "O=C(Nc1ccc(cc1)I)COc1ccccc1C(=O)NCC(=O)N(c1ccccc1)C" . "HFVDMJQQAKLUSN-UHFFFAOYSA-N" . "InChI=1S/C24H22IN3O4/c1-28(19-7-3-2-4-8-19)23(30)15-26-24(31)20-9-5-6-10-21(20)32-16-22(29)27-18-13-11-17(25)12-14-18/h2-14H,15-16H2,1H3,(H,26,31)(H,27,29)" . "C#CCOc1ccc2c(c1)c(nc(=O)n2Cc1ccc2c(c1)ncc(n2)Br)c1ccc(cc1)C(C)C" . "C#CCOc1ccc2c(c1)c(nc(=O)n2Cc1ccc2c(c1)ncc(n2)Br)c1ccc(cc1)C(C)C" . "ALANRBCCCQEPFZ-UHFFFAOYSA-N" . "InChI=1S/C29H23BrN4O2/c1-4-13-36-22-10-12-26-23(15-22)28(21-8-6-20(7-9-21)18(2)3)33-29(35)34(26)17-19-5-11-24-25(14-19)31-16-27(30)32-24/h1,5-12,14-16,18H,13,17H2,2-3H3" . "CCCOC(=O)c1cccc(c1)c1cc(ccc1CN)C(=O)Nc1ccncc1F" . "CCCOC(=O)c1cccc(c1)c1cc(ccc1CN)C(=O)Nc1ccncc1F" . "PNWBYIFLWUCWKS-UHFFFAOYSA-N" . "InChI=1S/C23H22FN3O3/c1-2-10-30-23(29)17-5-3-4-15(11-17)19-12-16(6-7-18(19)13-25)22(28)27-21-8-9-26-14-20(21)24/h3-9,11-12,14H,2,10,13,25H2,1H3,(H,26,27,28)" . "COc1ccc(cc1NC[C@@H]1[C@H](C1(C)C)c1ccc(cc1)S(=O)(=O)N)Cl" . "COc1ccc(cc1NC[C@@H]1[C@H](C1(C)C)c1ccc(cc1)S(=O)(=O)N)Cl" . "LWWDCTBUJUEFDE-CRAIPNDOSA-N" . "InChI=1S/C19H23ClN2O3S/c1-19(2)15(11-22-16-10-13(20)6-9-17(16)25-3)18(19)12-4-7-14(8-5-12)26(21,23)24/h4-10,15,18,22H,11H2,1-3H3,(H2,21,23,24)/t15-,18-/m1/s1" . "OC1CCC(CC1)NCc1cc(Br)cc(c1N)Br" . "OC1CCC(CC1)NCc1cc(Br)cc(c1N)Br" . "JBDGDEWWOUBZPM-UHFFFAOYSA-N" . "InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2" . "CC(CC(=O)c1ccc(c(c1)OC1COCC1)OC(F)F)C" . "CC(CC(=O)c1ccc(c(c1)OC1COCC1)OC(F)F)C" . "IXURVUHDDXFYDR-UHFFFAOYSA-N" . "InChI=1S/C16H20F2O4/c1-10(2)7-13(19)11-3-4-14(22-16(17)18)15(8-11)21-12-5-6-20-9-12/h3-4,8,10,12,16H,5-7,9H2,1-2H3" . "OCCOc1cc(cc(n1)N1CCOCC1)c1cc(ccc1C)NC(=O)c1ccnc(c1)C(F)(F)F" . "OCCOc1cc(cc(n1)N1CCOCC1)c1cc(ccc1C)NC(=O)c1ccnc(c1)C(F)(F)F" . "UEPXBTCUIIGYCY-UHFFFAOYSA-N" . "InChI=1S/C25H25F3N4O4/c1-16-2-3-19(30-24(34)17-4-5-29-21(12-17)25(26,27)28)15-20(16)18-13-22(32-6-9-35-10-7-32)31-23(14-18)36-11-8-33/h2-5,12-15,33H,6-11H2,1H3,(H,30,34)" . "Clc1ccc(cc1)C1=NN(C[C@@H]1c1ccccc1)/C(=N/[C@H](C(=O)N)C(C)C)/NS(=O)(=O)c1ccc(cc1)Cl" . "Clc1ccc(cc1)C1=NN(C[C@@H]1c1ccccc1)/C(=N/[C@H](C(=O)N)C(C)C)/NS(=O)(=O)c1ccc(cc1)Cl" . "GTCSIQFTNPTSLO-RPWUZVMVSA-N" . "InChI=1S/C27H27Cl2N5O3S/c1-17(2)24(26(30)35)31-27(33-38(36,37)22-14-12-21(29)13-15-22)34-16-23(18-6-4-3-5-7-18)25(32-34)19-8-10-20(28)11-9-19/h3-15,17,23-24H,16H2,1-2H3,(H2,30,35)(H,31,33)/t23-,24+/m1/s1" . "O=CN1c2ccccc2CC1c1c[nH]c2c1cccc2" . "O=CN1c2ccccc2CC1c1c[nH]c2c1cccc2" . "GFACBUCIUAKRSV-UHFFFAOYSA-N" . "InChI=1S/C17H14N2O/c20-11-19-16-8-4-1-5-12(16)9-17(19)14-10-18-15-7-3-2-6-13(14)15/h1-8,10-11,17-18H,9H2" . "CC(Oc1ccc(c(c1)c1cnc(c(n1)C(=O)Nc1cnccc1N1CCC[C@H](C1)C(=O)O)N)F)C" . "CC(Oc1ccc(c(c1)c1cnc(c(n1)C(=O)Nc1cnccc1N1CCC[C@H](C1)C(=O)O)N)F)C" . "UZIATSFXNVOVFE-OAHLLOKOSA-N" . "InChI=1S/C25H27FN6O4/c1-14(2)36-16-5-6-18(26)17(10-16)19-12-29-23(27)22(30-19)24(33)31-20-11-28-8-7-21(20)32-9-3-4-15(13-32)25(34)35/h5-8,10-12,14-15H,3-4,9,13H2,1-2H3,(H2,27,29)(H,31,33)(H,34,35)/t15-/m1/s1" . "CCN1CCN(CC1)C(=O)Nc1nccc(c1)c1cn(c2c1ccnc2)C1CCOCC1" . "CCN1CCN(CC1)C(=O)Nc1nccc(c1)c1cn(c2c1ccnc2)C1CCOCC1" . "SAZIAQSVBIWIDU-UHFFFAOYSA-N" . "InChI=1S/C24H30N6O2/c1-2-28-9-11-29(12-10-28)24(31)27-23-15-18(3-8-26-23)21-17-30(19-5-13-32-14-6-19)22-16-25-7-4-20(21)22/h3-4,7-8,15-17,19H,2,5-6,9-14H2,1H3,(H,26,27,31)" . "O=c1[nH]c(SCCN2CCN(CC2)CCSc2nc3ccccc3c(=O)[nH]2)nc2c1cccc2" . "O=c1[nH]c(SCCN2CCN(CC2)CCSc2nc3ccccc3c(=O)[nH]2)nc2c1cccc2" . "RHCZTJJJLXGIDT-UHFFFAOYSA-N" . "InChI=1S/C24H26N6O2S2/c31-21-17-5-1-3-7-19(17)25-23(27-21)33-15-13-29-9-11-30(12-10-29)14-16-34-24-26-20-8-4-2-6-18(20)22(32)28-24/h1-8H,9-16H2,(H,25,27,31)(H,26,28,32)" . "COc1ccc(cc1)c1oc2c(CC=C(C)C)c(O)cc(c2c(=O)c1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O" . "COc1ccc(cc1)c1oc2c(CC=C(C)C)c(O)cc(c2c(=O)c1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O" . "NGMYNFJANBHLKA-LVKFHIPRSA-N" . "InChI=1S/C27H30O10/c1-12(2)5-10-16-17(28)11-18(29)19-21(31)26(37-27-23(33)22(32)20(30)13(3)35-27)24(36-25(16)19)14-6-8-15(34-4)9-7-14/h5-9,11,13,20,22-23,27-30,32-33H,10H2,1-4H3/t13-,20-,22+,23+,27-/m0/s1" . "NCCCC[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(=O)N)[C@H](O)C)C)[C@H](O)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccc(cc1)O)[C@H](O)C)CC(=O)N)CO)[C@H](O)C)CC(=O)N)[C@H](O)C)CCCNC(=N)N)Cc1ccc(cc1)O)[C@H](O)C)CCC(=O)N)CC(C)C)CCCNC(=N)N)Cc1[nH]cnc1)CC(C)C)CCC(=O)O)CCC(=O)N)CO)CC(C)C)CCCNC(=N)N)CC(C)C)C(C)C)N" . "NCCCC[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(=O)N)[C@H](O)C)C)[C@H](O)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccc(cc1)O)[C@H](O)C)CC(=O)N)CO)[C@H](O)C)CC(=O)N)[C@H](O)C)CCCNC(=N)N)Cc1ccc(cc1)O)[C@H](O)C)CCC(=O)N)CC(C)C)CCCNC(=N)N)Cc1[nH]cnc1)CC(C)C)CCC(=O)O)CCC(=O)N)CO)CC(C)C)CCCNC(=N)N)CC(C)C)C(C)C)N" . "SLYFITHISHUGLZ-QPMCIWSFSA-N" . "InChI=1S/C152H248N50O49S2/c1-66(2)48-91(189-143(245)113(70(9)10)195-140(242)103-64-253-252-63-102(193-122(224)83(154)24-18-19-43-153)139(241)188-97(56-108(158)216)135(237)200-115(73(13)206)144(246)174-71(11)121(223)196-116(74(14)207)148(250)194-103)123(225)171-59-110(218)175-84(25-20-44-168-150(161)162)124(226)183-94(51-69(7)8)132(234)192-101(62-204)138(240)180-87(37-40-105(155)213)126(228)178-89(39-42-112(220)221)127(229)185-93(50-68(5)6)131(233)186-95(54-80-58-167-65-173-80)133(235)177-85(26-21-45-169-151(163)164)125(227)184-92(49-67(3)4)130(232)179-88(38-41-106(156)214)129(231)199-119(77(17)210)147(249)191-99(53-79-31-35-82(212)36-32-79)149(251)202-47-23-28-104(202)141(243)181-86(27-22-46-170-152(165)166)128(230)198-118(76(16)209)146(248)190-98(57-109(159)217)136(238)197-114(72(12)205)142(244)172-60-111(219)176-100(61-203)137(239)187-96(55-107(157)215)134(236)201-117(75(15)208)145(247)182-90(120(160)222)52-78-29-33-81(211)34-30-78/h29-36,58,65-77,83-104,113-119,203-212H,18-28,37-57,59-64,153-154H2,1-17H3,(H2,155,213)(H2,156,214)(H2,157,215)(H2,158,216)(H2,159,217)(H2,160,222)(H,167,173)(H,171,225)(H,172,244)(H,174,246)(H,175,218)(H,176,219)(H,177,235)(H,178,228)(H,179,232)(H,180,240)(H,181,243)(H,182,247)(H,183,226)(H,184,227)(H,185,229)(H,186,233)(H,187,239)(H,188,241)(H,189,245)(H,190,248)(H,191,249)(H,192,234)(H,193,224)(H,194,250)(H,195,242)(H,196,223)(H,197,238)(H,198,230)(H,199,231)(H,200,237)(H,201,236)(H,220,221)(H4,161,162,168)(H4,163,164,169)(H4,165,166,170)/t71-,72+,73+,74+,75+,76+,77+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,113-,114-,115-,116-,117-,118-,119-/m0/s1" . "O/N=C/1/C=C(NC(C(=O)Nc2cc(OC)cc(c2)OC)Cc2ccccc2)C(=O)c2c1cccc2" . "O/N=C/1/C=C(NC(C(=O)Nc2cc(OC)cc(c2)OC)Cc2ccccc2)C(=O)c2c1cccc2" . "BTNMSAUAXSTYIU-JJKYIXSRSA-N" . "InChI=1S/C27H25N3O5/c1-34-19-13-18(14-20(15-19)35-2)28-27(32)25(12-17-8-4-3-5-9-17)29-24-16-23(30-33)21-10-6-7-11-22(21)26(24)31/h3-11,13-16,25,29,33H,12H2,1-2H3,(H,28,32)/b30-23+" . "COc1ccc2c(c1)c1CCN[C@@]3(c1[nH]2)CS[C@@H]1c2c(OC(=O)C)c(C)c4c(c2[C@H](COC3=O)N2[C@@H]1[C@@H]1N([C@H]([C@@H]2O)Cc2c1c(O)c(c(c2)C)OC)C)OCO4" . "COc1ccc2c(c1)c1CCN[C@@]3(c1[nH]2)CS[C@@H]1c2c(OC(=O)C)c(C)c4c(c2[C@H](COC3=O)N2[C@@H]1[C@@H]1N([C@H]([C@@H]2O)Cc2c1c(O)c(c(c2)C)OC)C)OCO4" . "YDDMIZRDDREKEP-HWTBNCOESA-N" . "InChI=1S/C41H44N4O10S/c1-17-11-20-12-25-39(48)45-26-14-52-40(49)41(38-22(9-10-42-41)23-13-21(50-5)7-8-24(23)43-38)15-56-37(31(45)30(44(25)4)27(20)32(47)33(17)51-6)29-28(26)36-35(53-16-54-36)18(2)34(29)55-19(3)46/h7-8,11,13,25-26,30-31,37,39,42-43,47-48H,9-10,12,14-16H2,1-6H3/t25-,26-,30+,31+,37+,39-,41+/m0/s1" . "O=C1OCCCCCCCCCCCNC(=O)[C@@H](NC(=O)C[C@@H]([C@@H](N1)Cc1ccccc1)O)C(C)C" . "O=C1OCCCCCCCCCCCNC(=O)[C@@H](NC(=O)C[C@@H]([C@@H](N1)Cc1ccccc1)O)C(C)C" . "ISMDILRWKSYCOD-GNKBHMEESA-N" . "InChI=1S/C28H45N3O5/c1-21(2)26-27(34)29-17-13-8-6-4-3-5-7-9-14-18-36-28(35)30-23(24(32)20-25(33)31-26)19-22-15-11-10-12-16-22/h10-12,15-16,21,23-24,26,32H,3-9,13-14,17-20H2,1-2H3,(H,29,34)(H,30,35)(H,31,33)/t23-,24-,26-/m0/s1" . "NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@H](C(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccc(cc1)F)CCCNC(=N)N)CCCNC(=N)N)Cc1ccc2c(c1)cccc2" . "NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@H](C(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccc(cc1)F)CCCNC(=N)N)CCCNC(=N)N)Cc1ccc2c(c1)cccc2" . "JJVZSYKFCOBILL-MKMRYRNGSA-N" . "InChI=1S/C97H144FN33O19S2/c98-60-33-31-58(32-34-60)78(135)119-65(19-8-42-113-93(104)105)79(136)121-68(21-10-44-115-95(108)109)83(140)126-73(51-56-25-30-57-14-1-2-15-59(57)48-56)87(144)130-75-53-152-151-52-74(88(145)118-63(77(101)134)18-7-41-112-92(102)103)129-84(141)69(23-12-46-117-97(111)150)122-81(138)66(20-9-43-114-94(106)107)124-86(143)72(50-55-28-37-62(133)38-29-55)128-90(147)76-24-13-47-131(76)91(148)70(17-4-6-40-100)125-82(139)64(16-3-5-39-99)120-80(137)67(22-11-45-116-96(110)149)123-85(142)71(127-89(75)146)49-54-26-35-61(132)36-27-54/h1-2,14-15,25-38,48,63-76,132-133H,3-13,16-24,39-47,49-53,99-100H2,(H2,101,134)(H,118,145)(H,119,135)(H,120,137)(H,121,136)(H,122,138)(H,123,142)(H,124,143)(H,125,139)(H,126,140)(H,127,146)(H,128,147)(H,129,141)(H,130,144)(H4,102,103,112)(H4,104,105,113)(H4,106,107,114)(H4,108,109,115)(H3,110,116,149)(H3,111,117,150)/t63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-/m0/s1" . "Oc1c(cccc1c1ccc(o1)C(=O)O)N=Nc1c(C)[nH]n(c1=O)c1ccc2c(c1)CCCC2" . "Oc1c(cccc1c1ccc(o1)C(=O)O)N=Nc1c(C)[nH]n(c1=O)c1ccc2c(c1)CCCC2" . "YATJUTCKRWETAB-UHFFFAOYSA-N" . "InChI=1S/C25H22N4O5/c1-14-22(24(31)29(28-14)17-10-9-15-5-2-3-6-16(15)13-17)27-26-19-8-4-7-18(23(19)30)20-11-12-21(34-20)25(32)33/h4,7-13,28,30H,2-3,5-6H2,1H3,(H,32,33)" . "C=CC(=O)N1CCN([C@H](C1)C)c1nc(=O)n(c2c1cc(F)c(n2)c1c(O)cccc1F)c1c(C)ccnc1C(C)C" . "C=CC(=O)N1CCN([C@H](C1)C)c1nc(=O)n(c2c1cc(F)c(n2)c1c(O)cccc1F)c1c(C)ccnc1C(C)C" . "NXQKSXLFSAEQCZ-SFHVURJKSA-N" . "InChI=1S/C30H30F2N6O3/c1-6-23(40)36-12-13-37(18(5)15-36)28-19-14-21(32)26(24-20(31)8-7-9-22(24)39)34-29(19)38(30(41)35-28)27-17(4)10-11-33-25(27)16(2)3/h6-11,14,16,18,39H,1,12-13,15H2,2-5H3/t18-/m0/s1" . "C=CC(=O)N1C[C@@H]2C(=O)N(C)c3c(N2C[C@H]1C)c1cc(Cl)c(c(c1nc3)F)c1c(O)cccc1F" . "C=CC(=O)N1C[C@@H]2C(=O)N(C)c3c(N2C[C@H]1C)c1cc(Cl)c(c(c1nc3)F)c1c(O)cccc1F" . "XDVMVEOFPVCHEL-SJKOYZFVSA-N" . "InChI=1S/C25H21ClF2N4O3/c1-4-19(34)31-11-17-25(35)30(3)16-9-29-23-13(24(16)32(17)10-12(31)2)8-14(26)20(22(23)28)21-15(27)6-5-7-18(21)33/h4-9,12,17,33H,1,10-11H2,2-3H3/t12-,17-/m1/s1" . "COCCNc1ncc(c(c1)C)c1ccc(cc1)c1nc2c(CO)cccc2c(=O)[nH]1" . "COCCNc1ncc(c(c1)C)c1ccc(cc1)c1nc2c(CO)cccc2c(=O)[nH]1" . "PLGIKHVPQHSSON-UHFFFAOYSA-N" . "InChI=1S/C24H24N4O3/c1-15-12-21(25-10-11-31-2)26-13-20(15)16-6-8-17(9-7-16)23-27-22-18(14-29)4-3-5-19(22)24(30)28-23/h3-9,12-13,29H,10-11,14H2,1-2H3,(H,25,26)(H,27,28,30)" . "CNC(Cc1ccccc1)(C)C" . "CNC(Cc1ccccc1)(C)C" . "RXQCGGRTAILOIN-UHFFFAOYSA-N" . "InChI=1S/C11H17N/c1-11(2,12-3)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3" . "COc1ccc(cc1)C(=O)C1CCN(CC1)CC(=O)N(Cc1nc2CCOCc2c(=O)[nH]1)CC1CC1" . "COc1ccc(cc1)C(=O)C1CCN(CC1)CC(=O)N(Cc1nc2CCOCc2c(=O)[nH]1)CC1CC1" . "DYGBNAYFDZEYBA-UHFFFAOYSA-N" . "InChI=1S/C27H34N4O5/c1-35-21-6-4-19(5-7-21)26(33)20-8-11-30(12-9-20)16-25(32)31(14-18-2-3-18)15-24-28-23-10-13-36-17-22(23)27(34)29-24/h4-7,18,20H,2-3,8-17H2,1H3,(H,28,29,34)" . "OCCN1CC2(c3c1cc(F)cc3F)CCN(CC2)c1nc2CCCCc2c(=O)[nH]1" . "OCCN1CC2(c3c1cc(F)cc3F)CCN(CC2)c1nc2CCCCc2c(=O)[nH]1" . "FZQYCOUBRJEYBC-UHFFFAOYSA-N" . "InChI=1S/C22H26F2N4O2/c23-14-11-16(24)19-18(12-14)28(9-10-29)13-22(19)5-7-27(8-6-22)21-25-17-4-2-1-3-15(17)20(30)26-21/h11-12,29H,1-10,13H2,(H,25,26,30)" . "CCOc1nc2c(s1)c(Cl)c(cc2)Oc1ccc(cn1)/C=C/[C@@H](NC(=O)C)C" . "CCOc1nc2c(s1)c(Cl)c(cc2)Oc1ccc(cn1)/C=C/[C@@H](NC(=O)C)C" . "CYSWUSAYJNCAKA-FYJFLYSWSA-N" . "InChI=1S/C20H20ClN3O3S/c1-4-26-20-24-15-8-9-16(18(21)19(15)28-20)27-17-10-7-14(11-22-17)6-5-12(2)23-13(3)25/h5-12H,4H2,1-3H3,(H,23,25)/b6-5+/t12-/m0/s1" . "COC(=O)N[C@H](C#Cc1cnc(s1)Oc1ccc(cc1)OC(C)C)C" . "COC(=O)N[C@H](C#Cc1cnc(s1)Oc1ccc(cc1)OC(C)C)C" . "OLMPAYQFDVALIH-ZDUSSCGKSA-N" . "InChI=1S/C18H20N2O4S/c1-12(2)23-14-6-8-15(9-7-14)24-18-19-11-16(25-18)10-5-13(3)20-17(21)22-4/h6-9,11-13H,1-4H3,(H,20,21)/t13-/m0/s1" . "OC(=O)COc1ccc(cc1F)OCc1cccc(c1)c1ccccc1C" . "OC(=O)COc1ccc(cc1F)OCc1cccc(c1)c1ccccc1C" . "NJYJBYPNDWNZAH-UHFFFAOYSA-N" . "InChI=1S/C22H19FO4/c1-15-5-2-3-8-19(15)17-7-4-6-16(11-17)13-26-18-9-10-21(20(23)12-18)27-14-22(24)25/h2-12H,13-14H2,1H3,(H,24,25)" . "COc1ccc(c(c1)CNc1cccnc1)Br" . "COc1ccc(c(c1)CNc1cccnc1)Br" . "BLNNXJOEJRKHAM-UHFFFAOYSA-N" . "InChI=1S/C13H13BrN2O/c1-17-12-4-5-13(14)10(7-12)8-16-11-3-2-6-15-9-11/h2-7,9,16H,8H2,1H3" . "Clc1ccc(c(c1)Br)CNc1cccc(c1)c1nnc[nH]1" . "Clc1ccc(c(c1)Br)CNc1cccc(c1)c1nnc[nH]1" . "QPTCYEYTAWEZNT-UHFFFAOYSA-N" . "InChI=1S/C15H12BrClN4/c16-14-7-12(17)5-4-11(14)8-18-13-3-1-2-10(6-13)15-19-9-20-21-15/h1-7,9,18H,8H2,(H,19,20,21)" . "CC(c1ccc(cc1)CNc1cccc(c1)c1[nH]cnn1)C" . "CC(c1ccc(cc1)CNc1cccc(c1)c1[nH]cnn1)C" . "GXZIJEFRHJOZBW-UHFFFAOYSA-N" . "InChI=1S/C18H20N4/c1-13(2)15-8-6-14(7-9-15)11-19-17-5-3-4-16(10-17)18-20-12-21-22-18/h3-10,12-13,19H,11H2,1-2H3,(H,20,21,22)" . "O=C(c1nc2c(s1)cc(cc2)c1ccccc1)c1nnc(o1)CNS(=O)(=O)N" . "O=C(c1nc2c(s1)cc(cc2)c1ccccc1)c1nnc(o1)CNS(=O)(=O)N" . "LXSODRTWQNWTOG-UHFFFAOYSA-N" . "InChI=1S/C17H13N5O4S2/c18-28(24,25)19-9-14-21-22-16(26-14)15(23)17-20-12-7-6-11(8-13(12)27-17)10-4-2-1-3-5-10/h1-8,19H,9H2,(H2,18,24,25)" . "Clc1cccc(n1)c1nc(nc(n1)N[C@@H](C(F)(F)F)C)N[C@@H](C(F)(F)F)C" . "Clc1cccc(n1)c1nc(nc(n1)N[C@@H](C(F)(F)F)C)N[C@@H](C(F)(F)F)C" . "QCZAWDGAVJMPTA-RNFRBKRXSA-N" . "InChI=1S/C14H13ClF6N6/c1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21/h3-7H,1-2H3,(H2,22,23,25,26,27)/t6-,7-/m1/s1" . "OCCn1cnc(c1c1ccc2n(n1)c(C#N)cn2)c1ccc(c(c1)Cl)F" . "OCCn1cnc(c1c1ccc2n(n1)c(C#N)cn2)c1ccc(c(c1)Cl)F" . "VZZBCNXVZFAIQX-UHFFFAOYSA-N" . "InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2" . "Fc1ccc(cc1)n1ccc2c1ccc(c2)C(=O)N1CC(C1)N1CCN(CC1)C(=O)c1nccs1" . "Fc1ccc(cc1)n1ccc2c1ccc(c2)C(=O)N1CC(C1)N1CCN(CC1)C(=O)c1nccs1" . "IVOACCSOISMVBL-UHFFFAOYSA-N" . "InChI=1S/C26H24FN5O2S/c27-20-2-4-21(5-3-20)32-9-7-18-15-19(1-6-23(18)32)25(33)31-16-22(17-31)29-10-12-30(13-11-29)26(34)24-28-8-14-35-24/h1-9,14-15,22H,10-13,16-17H2" . "CCOC(=O)C1(CCN(CC1)C)c1ccccc1" . "CCOC(=O)C1(CCN(CC1)C)c1ccccc1" . "XADCESSVHJOZHK-UHFFFAOYSA-N" . "InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3" . "Clc1ccc2c(c1)c1n(C)nc(c1CO2)C(=O)N(Cc1ccc(cc1)C(=O)O)Cc1ccccc1" . "Clc1ccc2c(c1)c1n(C)nc(c1CO2)C(=O)N(Cc1ccc(cc1)C(=O)O)Cc1ccccc1" . "JYTIXGYXBIBOMN-UHFFFAOYSA-N" . "InChI=1S/C27H22ClN3O4/c1-30-25-21-13-20(28)11-12-23(21)35-16-22(25)24(29-30)26(32)31(14-17-5-3-2-4-6-17)15-18-7-9-19(10-8-18)27(33)34/h2-13H,14-16H2,1H3,(H,33,34)" . "OC[C@H]1O[C@@H](c2ccc(c(c2)Cc2ccc3c(c2)OCCO3)CC)[C@@H]([C@H]([C@@H]1O)O)O" . "OC[C@H]1O[C@@H](c2ccc(c(c2)Cc2ccc3c(c2)OCCO3)CC)[C@@H]([C@H]([C@@H]1O)O)O" . "XFJAMQQAAMJFGB-ZQGJOIPISA-N" . "InChI=1S/C23H28O7/c1-2-14-4-5-15(23-22(27)21(26)20(25)19(12-24)30-23)11-16(14)9-13-3-6-17-18(10-13)29-8-7-28-17/h3-6,10-11,19-27H,2,7-9,12H2,1H3/t19-,20-,21+,22-,23+/m1/s1" . "O=C([C@H]1CCC(=O)N1C1CCN(CC1)Cc1ccc(c(c1)C)Cl)Nc1nc(C)cc(c1)C(=O)N(C)C" . "O=C([C@H]1CCC(=O)N1C1CCN(CC1)Cc1ccc(c(c1)C)Cl)Nc1nc(C)cc(c1)C(=O)N(C)C" . "DWKNOLCXIFYNFV-HSZRJFAPSA-N" . "InChI=1S/C27H34ClN5O3/c1-17-13-19(5-6-22(17)28)16-32-11-9-21(10-12-32)33-23(7-8-25(33)34)26(35)30-24-15-20(14-18(2)29-24)27(36)31(3)4/h5-6,13-15,21,23H,7-12,16H2,1-4H3,(H,29,30,35)/t23-/m1/s1" . "CN(CCc1ccc(c(c1)Cl)Cl)CCN(C)C" . "CN(CCc1ccc(c(c1)Cl)Cl)CCN(C)C" . "MGVRNMUKTZOQOW-UHFFFAOYSA-N" . "InChI=1S/C13H20Cl2N2/c1-16(2)8-9-17(3)7-6-11-4-5-12(14)13(15)10-11/h4-5,10H,6-9H2,1-3H3" . "COCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1OC)O" . "COCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1OC)O" . "RQHILGKAOIGUHU-XPLSERNMSA-N" . "InChI=1S/C31H49NO10/c1-32-9-8-30-27-23-4-5-24(35-3)28(27)42-29(30)25(6-7-31(30,33)26(32)22-23)41-21-20-40-19-18-39-17-16-38-15-14-37-13-12-36-11-10-34-2/h4-5,25-26,29,33H,6-22H2,1-3H3/t25-,26+,29-,30-,31+/m0/s1" . "O=C1CC[C@@]2([C@@]3(C1)CCN([C@@H]2Cc1c3c(O)c(cc1)C(=O)N)CC1CC1)O" . "O=C1CC[C@@]2([C@@]3(C1)CCN([C@@H]2Cc1c3c(O)c(cc1)C(=O)N)CC1CC1)O" . "RYIDHLJADOKWFM-MAODMQOUSA-N" . "InChI=1S/C21H26N2O4/c22-19(26)15-4-3-13-9-16-21(27)6-5-14(24)10-20(21,17(13)18(15)25)7-8-23(16)11-12-1-2-12/h3-4,12,16,25,27H,1-2,5-11H2,(H2,22,26)/t16-,20-,21-/m1/s1" . "CN(CC1C(=O)O[C@H]2[C@H]1CC/C(=C/CC[C@@]1([C@H]2O1)C)/C(=O)OCCOCCOC(=O)/C/1=C/CC[C@@]2(C)O[C@H]2[C@@H]2[C@@H](CC1)[C@H](CN(C)C)C(=O)O2)C" . "CN(CC1C(=O)O[C@H]2[C@H]1CC/C(=C/CC[C@@]1([C@H]2O1)C)/C(=O)OCCOCCOC(=O)/C/1=C/CC[C@@]2(C)O[C@H]2[C@@H]2[C@@H](CC1)[C@H](CN(C)C)C(=O)O2)C" . "ZNXWRMSQZDHKCM-SBRQVZBJSA-N" . "InChI=1S/C38H56N2O11/c1-37-15-7-9-23(11-13-25-27(21-39(3)4)35(43)48-29(25)31(37)50-37)33(41)46-19-17-45-18-20-47-34(42)24-10-8-16-38(2)32(51-38)30-26(14-12-24)28(22-40(5)6)36(44)49-30/h9-10,25-32H,7-8,11-22H2,1-6H3/b23-9+,24-10+/t25-,26-,27-,28?,29-,30-,31-,32-,37+,38+/m0/s1" . "C[C@@H]1COCCN1c1nc(nc2c1nc(s2)c1n[nH]cc1)N1CCOC[C@@H]1C" . "C[C@@H]1COCCN1c1nc(nc2c1nc(s2)c1n[nH]cc1)N1CCOC[C@@H]1C" . "ZJXHODMMACVLQQ-NEPJUHHUSA-N" . "InChI=1S/C18H23N7O2S/c1-11-9-26-7-5-24(11)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)25-6-8-27-10-12(25)2/h3-4,11-12H,5-10H2,1-2H3,(H,19,23)/t11-,12+/m1/s1" . "CCOC(=O)C1=CCN(C1c1ccccc1)S(=O)(=O)c1ccc(cc1)C" . "CCOC(=O)C1=CCN(C1c1ccccc1)S(=O)(=O)c1ccc(cc1)C" . "QMRVCOQYPZTTAJ-UHFFFAOYSA-N" . "InChI=1S/C20H21NO4S/c1-3-25-20(22)18-13-14-21(19(18)16-7-5-4-6-8-16)26(23,24)17-11-9-15(2)10-12-17/h4-13,19H,3,14H2,1-2H3" . "Nc1nc(cc(n1)N1CCC2(CC1)CN[C@@H](C2)C(=O)O)O[C@@H](C(F)(F)F)c1ccc(cc1c1ccccc1)Cl" . "Nc1nc(cc(n1)N1CCC2(CC1)CN[C@@H](C2)C(=O)O)O[C@@H](C(F)(F)F)c1ccc(cc1c1ccccc1)Cl" . "ZNSPHKJFQDEABI-NZQKXSOJSA-N" . "InChI=1S/C27H27ClF3N5O3/c28-17-6-7-18(19(12-17)16-4-2-1-3-5-16)23(27(29,30)31)39-22-13-21(34-25(32)35-22)36-10-8-26(9-11-36)14-20(24(37)38)33-15-26/h1-7,12-13,20,23,33H,8-11,14-15H2,(H,37,38)(H2,32,34,35)/t20-,23+/m0/s1" . "CCOC(=O)[C@H]1NCC2(C1)CCN(CC2)c1cc(nc(n1)N)O[C@@H](C(F)(F)F)c1ccc(cc1c1ccccc1)Cl" . "CCOC(=O)[C@H]1NCC2(C1)CCN(CC2)c1cc(nc(n1)N)O[C@@H](C(F)(F)F)c1ccc(cc1c1ccccc1)Cl" . "TZSZZENYCISATO-WIOPSUGQSA-N" . "InChI=1S/C29H31ClF3N5O3/c1-2-40-26(39)22-16-28(17-35-22)10-12-38(13-11-28)23-15-24(37-27(34)36-23)41-25(29(31,32)33)20-9-8-19(30)14-21(20)18-6-4-3-5-7-18/h3-9,14-15,22,25,35H,2,10-13,16-17H2,1H3,(H2,34,36,37)/t22-,25+/m0/s1" . "OC(=O)c1ccnc(c1)N1CC(C1)(O)c1ccc(cc1Cl)OCc1c(onc1c1c(Cl)cccc1Cl)C1CC1" . "OC(=O)c1ccnc(c1)N1CC(C1)(O)c1ccc(cc1Cl)OCc1c(onc1c1c(Cl)cccc1Cl)C1CC1" . "KZSKGLFYQAYZCO-UHFFFAOYSA-N" . "InChI=1S/C28H22Cl3N3O5/c29-20-2-1-3-21(30)24(20)25-18(26(39-33-25)15-4-5-15)12-38-17-6-7-19(22(31)11-17)28(37)13-34(14-28)23-10-16(27(35)36)8-9-32-23/h1-3,6-11,15,37H,4-5,12-14H2,(H,35,36)" . "C=Cc1cn(c(=O)nc1N)C1OC(C(C1OC(=O)C)OC(=O)C)C" . "C=Cc1cn(c(=O)nc1N)[C@@H]1O[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)C" . "NELWQUQCCZMRPB-UBPLGANQSA-N" . "InChI=1S/C15H19N3O6/c1-5-10-6-18(15(21)17-13(10)16)14-12(24-9(4)20)11(7(2)22-14)23-8(3)19/h5-7,11-12,14H,1H2,2-4H3,(H2,16,17,21)/t7-,11-,12-,14-/m1/s1" . "N#CCCS(=O)(=O)C" . "N#CCCS(=O)(=O)C" . "LQFRYKBDZNPJSW-UHFFFAOYSA-N" . "InChI=1S/C4H7NO2S/c1-8(6,7)4-2-3-5/h2,4H2,1H3" . "OC(=O)[C@@H]1CCN(C[C@H]1O)c1nn(c2c1c(F)ccc2)C(=O)c1c(Cl)cccc1C1CC1" . "OC(=O)[C@@H]1CCN(C[C@H]1O)c1nn(c2c1c(F)ccc2)C(=O)c1c(Cl)cccc1C1CC1" . "IBIKHMZPHNKTHM-RDTXWAMCSA-N" . "InChI=1S/C23H21ClFN3O4/c24-15-4-1-3-13(12-7-8-12)19(15)22(30)28-17-6-2-5-16(25)20(17)21(26-28)27-10-9-14(23(31)32)18(29)11-27/h1-6,12,14,18,29H,7-11H2,(H,31,32)/t14-,18-/m1/s1" . "OC(=O)c1ccc(cc1)c1nn(c2c1cccc2)C(=O)c1c(Cl)cccc1C(F)(F)F" . "OC(=O)c1ccc(cc1)c1nn(c2c1cccc2)C(=O)c1c(Cl)cccc1C(F)(F)F" . "DANLZOIRUUHIIX-UHFFFAOYSA-N" . "InChI=1S/C22H12ClF3N2O3/c23-16-6-3-5-15(22(24,25)26)18(16)20(29)28-17-7-2-1-4-14(17)19(27-28)12-8-10-13(11-9-12)21(30)31/h1-11H,(H,30,31)" . "NC(=N)N1CCC[C@H]1c1onc(n1)c1ccc(c(c1)C(F)(F)F)OCc1ccc(cc1)C(F)(F)F" . "NC(=N)N1CCC[C@H]1c1onc(n1)c1ccc(c(c1)C(F)(F)F)OCc1ccc(cc1)C(F)(F)F" . "QOYVZPSXPWIXAV-INIZCTEOSA-N" . "InChI=1S/C22H19F6N5O2/c23-21(24,25)14-6-3-12(4-7-14)11-34-17-8-5-13(10-15(17)22(26,27)28)18-31-19(35-32-18)16-2-1-9-33(16)20(29)30/h3-8,10,16H,1-2,9,11H2,(H3,29,30)/t16-/m0/s1" . "ONC(=O)c1onc(c1)OCc1ccc(cc1)c1ccc(cc1)Cl" . "ONC(=O)c1onc(c1)OCc1ccc(cc1)c1ccc(cc1)Cl" . "XZENCCSBEQTERZ-UHFFFAOYSA-N" . "InChI=1S/C17H13ClN2O4/c18-14-7-5-13(6-8-14)12-3-1-11(2-4-12)10-23-16-9-15(24-20-16)17(21)19-22/h1-9,22H,10H2,(H,19,21)" . "CCCCCCCCCCOc1cc(ccc1OC)C(=O)NO" . "CCCCCCCCCCOc1cc(ccc1OC)C(=O)NO" . "QKPYTKNEFFAFOV-UHFFFAOYSA-N" . "InChI=1S/C18H29NO4/c1-3-4-5-6-7-8-9-10-13-23-17-14-15(18(20)19-21)11-12-16(17)22-2/h11-12,14,21H,3-10,13H2,1-2H3,(H,19,20)" . "COc1cc(Nc2ncc(c(n2)Nc2ccc3c(c2)[nH]c(=O)o3)C)cc(c1F)C" . "COc1cc(Nc2ncc(c(n2)Nc2ccc3c(c2)[nH]c(=O)o3)C)cc(c1F)C" . "OYFMQDVLFYKOPZ-UHFFFAOYSA-N" . "InChI=1S/C20H18FN5O3/c1-10-6-13(8-16(28-3)17(10)21)24-19-22-9-11(2)18(26-19)23-12-4-5-15-14(7-12)25-20(27)29-15/h4-9H,1-3H3,(H,25,27)(H2,22,23,24,26)" . "COc1cc(Nc2ncc(c(n2)Nc2ccc3c(c2)n(COP(=O)(O)O)c(=O)o3)C)cc(c1F)C" . "COc1cc(Nc2ncc(c(n2)Nc2ccc3c(c2)n(COP(=O)(O)O)c(=O)o3)C)cc(c1F)C" . "JTUBTEKGIDQZMZ-UHFFFAOYSA-N" . "InChI=1S/C21H21FN5O7P/c1-11-6-14(8-17(32-3)18(11)22)25-20-23-9-12(2)19(26-20)24-13-4-5-16-15(7-13)27(21(28)34-16)10-33-35(29,30)31/h4-9H,10H2,1-3H3,(H2,29,30,31)(H2,23,24,25,26)" . "COc1cc2ncnc(c2cc1OCCCCCOCCOCCC(=O)NC(C(C)(C)C)C(=O)N1CC(CC1C(=O)NCc1ccc(cc1)c1scnc1C)O)Nc1ccc(c(c1)Cl)F" . "COc1cc2ncnc(c2cc1OCCCCCOCCOCCC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NCc1ccc(cc1)c1scnc1C)O)Nc1ccc(c(c1)Cl)F" . "NICKHWYZMNLEPJ-TZSMONEZSA-N" . "InChI=1S/C47H57ClFN7O8S/c1-29-42(65-28-53-29)31-11-9-30(10-12-31)25-50-45(59)38-22-33(57)26-56(38)46(60)43(47(2,3)4)55-41(58)15-18-63-20-19-62-16-7-6-8-17-64-40-23-34-37(24-39(40)61-5)51-27-52-44(34)54-32-13-14-36(49)35(48)21-32/h9-14,21,23-24,27-28,33,38,43,57H,6-8,15-20,22,25-26H2,1-5H3,(H,50,59)(H,55,58)(H,51,52,54)/t33-,38+,43-/m1/s1" . "COc1cc2ncnc(c2cc1OCCCN1CCN(CC1)CCC(=O)NCCCCCCCCOc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)Nc1ccc(c(c1)Cl)F" . "COc1cc2ncnc(c2cc1OCCCN1CCN(CC1)CCC(=O)NCCCCCCCCOc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)Nc1ccc(c(c1)Cl)F" . "ALKKWBPMCDDKKA-UHFFFAOYSA-N" . "InChI=1S/C46H54ClFN8O8/c1-62-38-28-35-32(43(51-29-50-35)52-30-12-13-34(48)33(47)26-30)27-39(38)64-25-9-18-54-20-22-55(23-21-54)19-16-40(57)49-17-6-4-2-3-5-7-24-63-37-11-8-10-31-42(37)46(61)56(45(31)60)36-14-15-41(58)53-44(36)59/h8,10-13,26-29,36H,2-7,9,14-25H2,1H3,(H,49,57)(H,50,51,52)(H,53,58,59)" . "COc1cc2ncnc(c2cc1OCCCN1CCN(CC1)C(=O)CCCCCCCCCC(=O)NC(C(C)(C)C)C(=O)N1CC(CC1C(=O)NCc1ccc(cc1)c1scnc1C)O)Nc1ccc(c(c1)Cl)F" . "COc1cc2ncnc(c2cc1OCCCN1CCN(CC1)C(=O)CCCCCCCCCC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NCc1ccc(cc1)c1scnc1C)O)Nc1ccc(c(c1)Cl)F" . "HLFLODKZIGYHNR-LTEFSYCBSA-N" . "InChI=1S/C55H71ClFN9O7S/c1-36-50(74-35-61-36)38-18-16-37(17-19-38)32-58-53(70)45-29-40(67)33-66(45)54(71)51(55(2,3)4)63-48(68)14-11-9-7-6-8-10-12-15-49(69)65-25-23-64(24-26-65)22-13-27-73-47-30-41-44(31-46(47)72-5)59-34-60-52(41)62-39-20-21-43(57)42(56)28-39/h16-21,28,30-31,34-35,40,45,51,67H,6-15,22-27,29,32-33H2,1-5H3,(H,58,70)(H,63,68)(H,59,60,62)/t40-,45+,51-/m1/s1" . "COc1ncc(cc1NS(=O)(=O)C)c1cc(c2ncc(o2)CN2CC(C)OC(C2)C)c2c(c1)[nH]nc2" . "COc1ncc(cc1NS(=O)(=O)C)c1cc(c2ncc(o2)CN2C[C@H](C)O[C@@H](C2)C)c2c(c1)[nH]nc2" . "NLUPPCTVKHDVIQ-GASCZTMLSA-N" . "InChI=1S/C24H28N6O5S/c1-14-11-30(12-15(2)34-14)13-18-9-26-23(35-18)19-5-16(6-21-20(19)10-27-28-21)17-7-22(29-36(4,31)32)24(33-3)25-8-17/h5-10,14-15,29H,11-13H2,1-4H3,(H,27,28)/t14-,15+" . "COc1cc(ccc1N1CCN(CC1)C)Nc1nccc(n1)Nc1cccnc1c1ccccn1" . "COc1cc(ccc1N1CCN(CC1)C)Nc1nccc(n1)Nc1cccnc1c1ccccn1" . "XSQKEVGTZSBVBR-UHFFFAOYSA-N" . "InChI=1S/C26H28N8O/c1-33-14-16-34(17-15-33)22-9-8-19(18-23(22)35-2)30-26-29-13-10-24(32-26)31-21-7-5-12-28-25(21)20-6-3-4-11-27-20/h3-13,18H,14-17H2,1-2H3,(H2,29,30,31,32)" . "O=c1[nH]c(=O)n(cc1F)C1CCCO1" . "O=c1[nH]c(=O)n(cc1F)C1CCCO1" . "WFWLQNSHRPWKFK-UHFFFAOYSA-N" . "InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)" . "C=CC(=O)N1CCC(CC1)c1ccc(c(n1)c1ccc(cc1)Oc1ccccc1)C(=O)N" . "C=CC(=O)N1CCC(CC1)c1ccc(c(n1)c1ccc(cc1)Oc1ccccc1)C(=O)N" . "MZPVEMOYADUARK-UHFFFAOYSA-N" . "InChI=1S/C26H25N3O3/c1-2-24(30)29-16-14-18(15-17-29)23-13-12-22(26(27)31)25(28-23)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-13,18H,1,14-17H2,(H2,27,31)" . "C=CC(=O)Nc1cc(Nc2nccc(n2)c2cn(c3c2cccc3)C)c(cc1OCCN(C)C)OC" . "C=CC(=O)Nc1cc(Nc2nccc(n2)c2cn(c3c2cccc3)C)c(cc1OCCN(C)C)OC" . "BPMZUKYFIDPLEA-UHFFFAOYSA-N" . "InChI=1S/C27H30N6O3/c1-6-26(34)29-22-15-21(24(35-5)16-25(22)36-14-13-32(2)3)31-27-28-12-11-20(30-27)19-17-33(4)23-10-8-7-9-18(19)23/h6-12,15-17H,1,13-14H2,2-5H3,(H,29,34)(H,28,30,31)" . "CCCCCCCCCCCCCCCC=O" . "CCCCCCCCCCCCCCCC=O" . "NIOYUNMRJMEDGI-UHFFFAOYSA-N" . "InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3" . "CN1CCC(CC1)c1ccccc1CC(Nc1nc(nc(n1)n1c(nc2c1cccc2)C(F)F)N1CCOCC1)(C)C" . "CN1CCC(CC1)c1ccccc1CC(Nc1nc(nc(n1)n1c(nc2c1cccc2)C(F)F)N1CCOCC1)(C)C" . "WPFUFWIHMYZXSF-UHFFFAOYSA-N" . "InChI=1S/C31H38F2N8O/c1-31(2,20-22-8-4-5-9-23(22)21-12-14-39(3)15-13-21)38-28-35-29(40-16-18-42-19-17-40)37-30(36-28)41-25-11-7-6-10-24(25)34-27(41)26(32)33/h4-11,21,26H,12-20H2,1-3H3,(H,35,36,37,38)" . "CC1CN(CC(C1O)N)c1c(cnc2c1CCC2O)NC(=O)c1ccc(c(n1)c1c(F)cccc1F)F" . "C[C@@H]1CN(C[C@@H]([C@H]1O)N)c1c(cnc2c1CC[C@@H]2O)NC(=O)c1ccc(c(n1)c1c(F)cccc1F)F" . "PTORCEYGCGXHDH-SGQXWQAPSA-N" . "InChI=1S/C26H26F3N5O3/c1-12-10-34(11-17(30)25(12)36)24-13-5-8-20(35)22(13)31-9-19(24)33-26(37)18-7-6-16(29)23(32-18)21-14(27)3-2-4-15(21)28/h2-4,6-7,9,12,17,20,25,35-36H,5,8,10-11,30H2,1H3,(H,33,37)/t12-,17+,20+,25+/m1/s1" . "C=CC(=O)N1CCCC(C1)n1c(=O)n(c2c1ccnc2N)c1ccc(cc1)Oc1ccccc1" . "C=CC(=O)N1CCC[C@H](C1)n1c(=O)n(c2c1ccnc2N)c1ccc(cc1)Oc1ccccc1" . "KOEUOFPEZFUWRF-LJQANCHMSA-N" . "InChI=1S/C26H25N5O3/c1-2-23(32)29-16-6-7-19(17-29)30-22-14-15-28-25(27)24(22)31(26(30)33)18-10-12-21(13-11-18)34-20-8-4-3-5-9-20/h2-5,8-15,19H,1,6-7,16-17H2,(H2,27,28)/t19-/m1/s1" . "O=CN1C(C)CCc2c1cc(Br)c(c2Br)F" . "O=CN1C(C)CCc2c1cc(Br)c(c2Br)F" . "ZZLQPWXVZCPUGC-UHFFFAOYSA-N" . "InChI=1S/C11H10Br2FNO/c1-6-2-3-7-9(15(6)5-16)4-8(12)11(14)10(7)13/h4-6H,2-3H2,1H3" . "OC1C2OP(=S)(O)OCC2OC1n1cnc2c1ncnc2N" . "OC1C2OP(=S)(O)OCC2OC1n1cnc2c1ncnc2N" . "SMPNJFHAPJOHPP-UHFFFAOYSA-N" . "InChI=1S/C10H12N5O5PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(19-10)1-18-21(17,22)20-7/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13)" . "NCCNC[C@H](CCCN=C(N[N+](=O)[O-])N)N" . "NCCNC[C@H](CCCN=C(N[N+](=O)[O-])N)N" . "RMSWBHUVFNFNIZ-ZETCQYMHSA-N" . "InChI=1S/C8H21N7O2/c9-3-5-12-6-7(10)2-1-4-13-8(11)14-15(16)17/h7,12H,1-6,9-10H2,(H3,11,13,14)/t7-/m0/s1" . "OC(=O)c1ccc(cc1)C1=[N+]([O-])C(C(N1[O])(C)C)(C)C" . "OC(=O)c1ccc(cc1)C1=[N+]([O-])C(C(N1[O])(C)C)(C)C" . "KWNDLWPKCDMGTN-UHFFFAOYSA-N" . "InChI=1S/C14H17N2O4/c1-13(2)14(3,4)16(20)11(15(13)19)9-5-7-10(8-6-9)12(17)18/h5-8H,1-4H3,(H,17,18)" . "O[C@@H]1[C@@H]2OP(=S)([O-])OC[C@H]2O[C@H]1n1c(Br)nc2c1[nH]c(N)nc2=O" . "O[C@@H]1[C@@H]2OP(=S)([O-])OC[C@H]2O[C@H]1n1c(Br)nc2c1[nH]c(N)nc2=O" . "KRYIOQOBMVFLBO-CIZWMVDRSA-M" . "InChI=1S/C10H11BrN5O6PS/c11-9-13-3-6(14-10(12)15-7(3)18)16(9)8-4(17)5-2(21-8)1-20-23(19,24)22-5/h2,4-5,8,17H,1H2,(H,19,24)(H3,12,14,15,18)/p-1/t2-,4-,5-,8-,23?/m1/s1" . "CCCCCCCCCCCCCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)N)C)CC(=O)N)CCCNC(=N)N)CCCNC(=N)N)[C@H](O)C)CCCNC(=N)N" . "CCCCCCCCCCCCCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)N)C)CC(=O)N)CCCNC(=N)N)CCCNC(=N)N)[C@H](O)C)CCCNC(=N)N" . "GQPQKQWUUHDDIS-JDLJUXOTSA-N" . "InChI=1S/C53H100N20O12/c1-6-8-9-10-11-12-13-14-15-16-17-24-39(76)65-29-40(77)69-35(22-19-26-63-52(58)59)48(83)73-43(33(5)74)50(85)66-30-41(78)68-34(21-18-25-62-51(56)57)46(81)70-36(23-20-27-64-53(60)61)47(82)71-37(28-38(54)75)49(84)67-32(4)45(80)72-42(44(55)79)31(3)7-2/h31-37,42-43,74H,6-30H2,1-5H3,(H2,54,75)(H2,55,79)(H,65,76)(H,66,85)(H,67,84)(H,68,78)(H,69,77)(H,70,81)(H,71,82)(H,72,80)(H,73,83)(H4,56,57,62)(H4,58,59,63)(H4,60,61,64)/t31-,32-,33+,34-,35-,36-,37-,42-,43-/m0/s1" . "COc1ccc(cc1)C=Cc1cccc(c1)NC(=O)Nc1ccc(cc1)Cl" . "COc1ccc(cc1)/C=C/c1cccc(c1)NC(=O)Nc1ccc(cc1)Cl" . "VGWVPSZVSVONQT-AATRIKPKSA-N" . "InChI=1S/C22H19ClN2O2/c1-27-21-13-7-16(8-14-21)5-6-17-3-2-4-20(15-17)25-22(26)24-19-11-9-18(23)10-12-19/h2-15H,1H3,(H2,24,25,26)/b6-5+" . "COc1cc(ccc1OC)c1cncc(n1)NC(c1cccc(c1)NC(=O)c1cncc(c1)C)C" . "COc1cc(ccc1OC)c1cncc(n1)N[C@H](c1cccc(c1)NC(=O)c1cncc(c1)C)C" . "JHJNPOSPVGRIAN-SFHVURJKSA-N" . "InChI=1S/C27H27N5O3/c1-17-10-21(14-28-13-17)27(33)31-22-7-5-6-19(11-22)18(2)30-26-16-29-15-23(32-26)20-8-9-24(34-3)25(12-20)35-4/h5-16,18H,1-4H3,(H,30,32)(H,31,33)/t18-/m0/s1" . "CN(CCC(c1ccccn1)c1ccc(cc1)Br)C" . "CN(CCC(c1ccccn1)c1ccc(cc1)Br)C" . "ZDIGNSYAACHWNL-UHFFFAOYSA-N" . "InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3" . "O=C(C(Nc1ccc(c(c1)S(=O)(=O)N1CCOCC1)C)(C)C)Nc1ccc(c(c1)Cl)F" . "O=C(C(Nc1ccc(c(c1)S(=O)(=O)N1CCOCC1)C)(C)C)Nc1ccc(c(c1)Cl)F" . "DUBVSWHYPDKVEA-UHFFFAOYSA-N" . "InChI=1S/C21H25ClFN3O4S/c1-14-4-5-16(13-19(14)31(28,29)26-8-10-30-11-9-26)25-21(2,3)20(27)24-15-6-7-18(23)17(22)12-15/h4-7,12-13,25H,8-11H2,1-3H3,(H,24,27)" . "NC(=NOCC[C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@H](CC(=O)NCCc1ccccc1)O)CC(C)C)C(C)C)NC(=O)OCc1ccccc1)N" . "NC(=NOCC[C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@H](CC(=O)NCCc1ccccc1)O)CC(C)C)C(C)C)NC(=O)OCc1ccccc1)N" . "VAHRPHLZONNTFF-NUISNXNRSA-N" . "InChI=1S/C34H51N7O7/c1-22(2)19-27(28(42)20-29(43)37-17-15-24-11-7-5-8-12-24)38-32(45)30(23(3)4)40-31(44)26(16-18-48-41-33(35)36)39-34(46)47-21-25-13-9-6-10-14-25/h5-14,22-23,26-28,30,42H,15-21H2,1-4H3,(H,37,43)(H,38,45)(H,39,46)(H,40,44)(H4,35,36,41)/t26-,27-,28-,30-/m0/s1" . "COc1cc2oc(cc(=O)c2c(c1O)OC)c1ccccc1" . "COc1cc2oc(cc(=O)c2c(c1O)OC)c1ccccc1" . "YLSUKCVZCXUJBF-UHFFFAOYSA-N" . "InChI=1S/C17H14O5/c1-20-14-9-13-15(17(21-2)16(14)19)11(18)8-12(22-13)10-6-4-3-5-7-10/h3-9,19H,1-2H3" . "CN1Cc2cc(Cl)ccc2n2c(C1)nnc2C1CCC(CC1)Oc1ccccn1" . "CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1" . "GMPZPHGHNDMRKL-RZDIXWSQSA-N" . "InChI=1S/C22H24ClN5O/c1-27-13-16-12-17(23)7-10-19(16)28-20(14-27)25-26-22(28)15-5-8-18(9-6-15)29-21-4-2-3-11-24-21/h2-4,7,10-12,15,18H,5-6,8-9,13-14H2,1H3/t15-,18-" . "Clc1ccc(cc1)c1nc(Nc2ccc(cc2)Oc2ccccc2)c2c(n1)cccc2" . "Clc1ccc(cc1)c1nc(Nc2ccc(cc2)Oc2ccccc2)c2c(n1)cccc2" . "VKLMWXASUNVKHV-UHFFFAOYSA-N" . "InChI=1S/C26H18ClN3O/c27-19-12-10-18(11-13-19)25-29-24-9-5-4-8-23(24)26(30-25)28-20-14-16-22(17-15-20)31-21-6-2-1-3-7-21/h1-17H,(H,28,29,30)" . "Clc1ccc2c(c1)cc(c(n2)C(O)(C)C)N" . "Clc1ccc2c(c1)cc(c(n2)C(O)(C)C)N" . "GUHFUVLKYSQIOQ-UHFFFAOYSA-N" . "InChI=1S/C12H13ClN2O/c1-12(2,16)11-9(14)6-7-5-8(13)3-4-10(7)15-11/h3-6,16H,14H2,1-2H3" . "CC(C(=O)c1c[nH]c2c1cccc2)Sc1n[nH]c(n1)c1c(Cl)cncc1Cl" . "CC(C(=O)c1c[nH]c2c1cccc2)Sc1n[nH]c(n1)c1c(Cl)cncc1Cl" . "BAABPIIOLPSIKR-UHFFFAOYSA-N" . "InChI=1S/C18H13Cl2N5OS/c1-9(16(26)11-6-22-14-5-3-2-4-10(11)14)27-18-23-17(24-25-18)15-12(19)7-21-8-13(15)20/h2-9,22H,1H3,(H,23,24,25)" . "OCC([C@H](C(=O)N/C=C/C(=O)O)O)(C)C" . "OCC([C@H](C(=O)N/C=C/C(=O)O)O)(C)C" . "HWKKTJQAKVPKTK-SDLBARTOSA-N" . "InChI=1S/C9H15NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h3-4,7,11,14H,5H2,1-2H3,(H,10,15)(H,12,13)/b4-3+/t7-/m0/s1" . "CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O" . "CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O" . "LVWZTYCIRDMTEY-UHFFFAOYSA-N" . "InChI=1S/C13H17N3O4S/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,18,19,20)" . "O=C(CCc1ccc(cc1)S(=O)(=O)Nc1cc(C)c(=O)n(c1Nc1ccc(cc1F)I)C)NCCOCCOCCOCC(=O)NC(C(C)(C)C)C(=O)N1CC(CC1C(=O)NC(c1ccc(cc1)c1scnc1C)C)O" . "O=C(CCc1ccc(cc1)S(=O)(=O)Nc1cc(C)c(=O)n(c1Nc1ccc(cc1F)I)C)NCCOCCOCCOCC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@H](c1ccc(cc1)c1scnc1C)C)O" . "RQBUNBWHIATPNI-WQWWALRQSA-N" . "InChI=1S/C53H66FIN8O11S2/c1-32-26-43(49(62(7)51(32)68)59-42-18-15-38(55)27-41(42)54)61-76(70,71)40-16-8-35(9-17-40)10-19-45(65)56-20-21-72-22-23-73-24-25-74-30-46(66)60-48(53(4,5)6)52(69)63-29-39(64)28-44(63)50(67)58-33(2)36-11-13-37(14-12-36)47-34(3)57-31-75-47/h8-9,11-18,26-27,31,33,39,44,48,59,61,64H,10,19-25,28-30H2,1-7H3,(H,56,65)(H,58,67)(H,60,66)/t33-,39+,44-,48+/m0/s1" . "O=C(c1c(Cc2c(C)[nH]nc2C(F)(F)F)sc2c1c(=O)n(c(=O)n2C(C)C)C)N1OCC(C1)(C)O" . "O=C(c1c(Cc2c(C)[nH]nc2C(F)(F)F)sc2c1c(=O)n(c(=O)n2C(C)C)C)N1OC[C@@](C1)(C)O" . "PRNXOFBDXNTIFG-FQEVSTJZSA-N" . "InChI=1S/C21H24F3N5O5S/c1-9(2)29-18-14(16(30)27(5)19(29)32)13(17(31)28-7-20(4,33)8-34-28)12(35-18)6-11-10(3)25-26-15(11)21(22,23)24/h9,33H,6-8H2,1-5H3,(H,25,26)/t20-/m0/s1" . "ONC(=O)c1ccc(cc1)CN(C(=O)c1ccc(cc1)C(C)C)CC(=O)NCc1ccccc1" . "ONC(=O)c1ccc(cc1)CN(C(=O)c1ccc(cc1)C(C)C)CC(=O)NCc1ccccc1" . "REDUQXCPUSNJOL-UHFFFAOYSA-N" . "InChI=1S/C27H29N3O4/c1-19(2)22-12-14-24(15-13-22)27(33)30(17-21-8-10-23(11-9-21)26(32)29-34)18-25(31)28-16-20-6-4-3-5-7-20/h3-15,19,34H,16-18H2,1-2H3,(H,28,31)(H,29,32)" . "Cc1cc(Nc2ncc(cn2)C(=O)NCCc2c(C)[nH]c3c2cccc3)nc(c1)C" . "Cc1cc(Nc2ncc(cn2)C(=O)NCCc2c(C)[nH]c3c2cccc3)nc(c1)C" . "NZOAMVGASFFEJH-UHFFFAOYSA-N" . "InChI=1S/C23H24N6O/c1-14-10-15(2)27-21(11-14)29-23-25-12-17(13-26-23)22(30)24-9-8-18-16(3)28-20-7-5-4-6-19(18)20/h4-7,10-13,28H,8-9H2,1-3H3,(H,24,30)(H,25,26,27,29)" . "CN(CCn1ncc(c1)c1ccc2c(c1)C(=O)Nc1cccc(n1)c1n(CCCCO2)cnn1)C" . "CN(CCn1ncc(c1)c1ccc2c(c1)C(=O)Nc1cccc(n1)c1n(CCCCO2)cnn1)C" . "JGKCBXMHIQSQHJ-UHFFFAOYSA-N" . "InChI=1S/C25H28N8O2/c1-31(2)11-12-33-16-19(15-27-33)18-8-9-22-20(14-18)25(34)29-23-7-5-6-21(28-23)24-30-26-17-32(24)10-3-4-13-35-22/h5-9,14-17H,3-4,10-13H2,1-2H3,(H,28,29,34)" . "O=C(Nc1cc(nn1C1CCCCC1)C)Cc1ccc(c(c1)Cl)F" . "O=C(Nc1cc(nn1C1CCCCC1)C)Cc1ccc(c(c1)Cl)F" . "HNJJARDABGKWSO-UHFFFAOYSA-N" . "InChI=1S/C18H21ClFN3O/c1-12-9-17(23(22-12)14-5-3-2-4-6-14)21-18(24)11-13-7-8-16(20)15(19)10-13/h7-10,14H,2-6,11H2,1H3,(H,21,24)" . "Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C" . "Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C" . "XISVSTPEXYIKJL-UHFFFAOYSA-N" . "InChI=1S/C18H20N8O2/c1-11-7-15-20-10-21-25(15)9-13(11)22-17-19-8-14-16(23-17)26(18(27)24(14)2)12-3-5-28-6-4-12/h7-10,12H,3-6H2,1-2H3,(H,19,22,23)" . "CCCCCc1cc(O)c(c(c1C(=O)O)O)C1C=C(C)CCC1C(=C)C" . "CCCCCc1cc(O)c(c(c1C(=O)O)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C" . "WVOLTBSCXRRQFR-DLBZAZTESA-N" . "InChI=1S/C22H30O4/c1-5-6-7-8-15-12-18(23)20(21(24)19(15)22(25)26)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,23-24H,2,5-10H2,1,3-4H3,(H,25,26)/t16-,17+/m0/s1" . "CCCCCc1cc(O)c(c(c1CC(=O)O)O)C1C=C(C)CCC1C(=C)C" . "CCCCCc1cc(O)c(c(c1CC(=O)O)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C" . "BOYRUNMTTPSTKZ-PKOBYXMFSA-N" . "InChI=1S/C23H32O4/c1-5-6-7-8-16-12-20(24)22(23(27)18(16)13-21(25)26)19-11-15(4)9-10-17(19)14(2)3/h11-12,17,19,24,27H,2,5-10,13H2,1,3-4H3,(H,25,26)/t17-,19+/m0/s1" . "COCCS(=O)(=O)Nc1cc(cnc1OC)c1cc(OCC2OCCN(C2)C2COC2)c2c(c1)COC2" . "COCCS(=O)(=O)Nc1cc(cnc1OC)c1cc(OC[C@@H]2OCCN(C2)C2COC2)c2c(c1)COC2" . "ZWPJBXLFZFLGMV-OAQYLSRUSA-N" . "InChI=1S/C25H33N3O8S/c1-31-5-6-37(29,30)27-23-8-18(10-26-25(23)32-2)17-7-19-12-33-16-22(19)24(9-17)36-15-21-11-28(3-4-35-21)20-13-34-14-20/h7-10,20-21,27H,3-6,11-16H2,1-2H3/t21-/m1/s1" . "O=C(N1CCN(CC1)C(c1ccnc(c1)Nc1nc2c([nH]1)cc(cc2)c1ncnc(c1)N(C)C)C)CC(F)(F)F" . "O=C(N1CCN(CC1)[C@@H](c1ccnc(c1)Nc1nc2c([nH]1)cc(cc2)c1ncnc(c1)N(C)C)C)CC(F)(F)F" . "HZRJHVDNTDBTOZ-QGZVFWFLSA-N" . "InChI=1S/C27H30F3N9O/c1-17(38-8-10-39(11-9-38)25(40)15-27(28,29)30)18-6-7-31-23(13-18)36-26-34-20-5-4-19(12-22(20)35-26)21-14-24(37(2)3)33-16-32-21/h4-7,12-14,16-17H,8-11,15H2,1-3H3,(H2,31,34,35,36)/t17-/m1/s1" . "Clc1ccc(cc1)NC(=O)c1ccc(c(c1)C#Cc1cc(cnc1N)c1cnn(c1)C)C" . "Clc1ccc(cc1)NC(=O)c1ccc(c(c1)C#Cc1cc(cnc1N)c1cnn(c1)C)C" . "JZKQBPWOWAPASE-UHFFFAOYSA-N" . "InChI=1S/C25H20ClN5O/c1-16-3-4-19(25(32)30-23-9-7-22(26)8-10-23)11-17(16)5-6-18-12-20(13-28-24(18)27)21-14-29-31(2)15-21/h3-4,7-15H,1-2H3,(H2,27,28)(H,30,32)" . "O=C(c1sc(cc1C)C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)NC(C(=O)O)CCCNC(=N)N" . "O=C(c1sc(cc1C)C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)N[C@H](C(=O)O)CCCNC(=N)N" . "OHRIKWUZKGNQKQ-IBGZPJMESA-N" . "InChI=1S/C25H26Cl2N4O3S/c1-14-13-20(21(15-4-8-17(26)9-5-15)16-6-10-18(27)11-7-16)35-22(14)23(32)31-19(24(33)34)3-2-12-30-25(28)29/h4-11,13,19,21H,2-3,12H2,1H3,(H,31,32)(H,33,34)(H4,28,29,30)/t19-/m0/s1" . "C=CCN1CCCCC(NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)N(CC#CC1)NC(=O)C(N)C)Cc1c[nH]c2c1cccc2)C)Cc1c[nH]c2c1cccc2)C(=O)N" . "C=CCN1CCCC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)N(CC#CC1)NC(=O)[C@@H](N)C)Cc1c[nH]c2c1cccc2)C)Cc1c[nH]c2c1cccc2)C(=O)N" . "OBMZMSLWNNWEJA-XNCRXQDQSA-N" . "InChI=1S/C51H62N12O7/c1-4-23-62-24-13-12-22-41(45(53)64)57-49(68)42(27-34-16-6-5-7-17-34)59-50(69)43(28-35-30-54-39-20-10-8-18-37(35)39)58-47(66)33(3)56-48(67)44(29-36-31-55-40-21-11-9-19-38(36)40)60-51(70)63(26-15-14-25-62)61-46(65)32(2)52/h4-11,16-21,30-33,41-44,54-55H,1,12-13,22-29,52H2,2-3H3,(H2,53,64)(H,56,67)(H,57,68)(H,58,66)(H,59,69)(H,60,70)(H,61,65)/t32-,33-,41-,42+,43-,44+/m0/s1" . "O=C(NCc1cc2c(o1)c(cc(c2)c1ccc(cc1)C(=O)N1CCC(CC1)(F)F)c1ccc(cc1)F)C=Cc1ccc(nc1)N" . "O=C(NCc1cc2c(o1)c(cc(c2)c1ccc(cc1)C(=O)N1CCC(CC1)(F)F)c1ccc(cc1)F)/C=C/c1ccc(nc1)N" . "MRFOPLWJZULAQD-SWGQDTFXSA-N" . "InChI=1S/C35H29F3N4O3/c36-28-9-7-24(8-10-28)30-19-26(23-3-5-25(6-4-23)34(44)42-15-13-35(37,38)14-16-42)17-27-18-29(45-33(27)30)21-41-32(43)12-2-22-1-11-31(39)40-20-22/h1-12,17-20H,13-16,21H2,(H2,39,40)(H,41,43)/b12-2+" . "N#Cc1nccc(c1)c1n[nH]c(n1)c1ccncc1" . "N#Cc1nccc(c1)c1n[nH]c(n1)c1ccncc1" . "UBVZQGOVTLIHLH-UHFFFAOYSA-N" . "InChI=1S/C13H8N6/c14-8-11-7-10(3-6-16-11)13-17-12(18-19-13)9-1-4-15-5-2-9/h1-7H,(H,17,18,19)" . "NCCCCC(C(=O)N)NC(=O)C(NS(=O)(=O)N(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1c[nH]cn1)N)C)CC1CCC(CC1)F)Cc1ccccc1" . "NCCCC[C@@H](C(=O)N)NC(=O)[C@H](NS(=O)(=O)N(NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1c[nH]cn1)N)C)CC1CCC(CC1)F)Cc1ccccc1" . "WYIBLRVRRGCPGV-FQYZGFJBSA-N" . "InChI=1S/C42H59FN12O7S/c1-26(50-41(59)36(20-29-22-48-34-12-6-5-11-32(29)34)52-40(58)33(45)21-31-23-47-25-49-31)39(57)53-55(24-28-14-16-30(43)17-15-28)63(61,62)54-37(19-27-9-3-2-4-10-27)42(60)51-35(38(46)56)13-7-8-18-44/h2-6,9-12,22-23,25-26,28,30,33,35-37,48,54H,7-8,13-21,24,44-45H2,1H3,(H2,46,56)(H,47,49)(H,50,59)(H,51,60)(H,52,58)(H,53,57)/t26-,28?,30?,33-,35-,36+,37+/m0/s1" . "CN(CCC1=C(C(c2ccccn2)C)c2c(C1)cccc2)C" . "CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C" . "MVMQESMQSYOVGV-OAHLLOKOSA-N" . "InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3/t15-/m1/s1" . "COC(c1cc(Cl)c2c(c1Cl)C(=O)N(CC2)Cc1c(OC)cc([nH]c1=O)C)C1COC1" . "CO[C@@H](c1cc(Cl)c2c(c1Cl)C(=O)N(CC2)Cc1c(OC)cc([nH]c1=O)C)C1COC1" . "RXCVUHMIWHRLDF-HXUWFJFHSA-N" . "InChI=1S/C22H24Cl2N2O5/c1-11-6-17(29-2)15(21(27)25-11)8-26-5-4-13-16(23)7-14(19(24)18(13)22(26)28)20(30-3)12-9-31-10-12/h6-7,12,20H,4-5,8-10H2,1-3H3,(H,25,27)/t20-/m1/s1" . "OCC(Nc1ccc(c(n1)c1cc(OC)c(c(c1)OC)OC)C(=O)NCCOc1ccccc1)Cc1ccccc1" . "OC[C@@H](Nc1ccc(c(n1)c1cc(OC)c(c(c1)OC)OC)C(=O)NCCOc1ccccc1)Cc1ccccc1" . "FCBOUJYKAGWYQM-DEOSSOPVSA-N" . "InChI=1S/C32H35N3O6/c1-38-27-19-23(20-28(39-2)31(27)40-3)30-26(32(37)33-16-17-41-25-12-8-5-9-13-25)14-15-29(35-30)34-24(21-36)18-22-10-6-4-7-11-22/h4-15,19-20,24,36H,16-18,21H2,1-3H3,(H,33,37)(H,34,35)/t24-/m0/s1" . "BrCC(OC(=O)CCCCCCCCCc1ccccc1)COP(=O)(O)O" . "BrC[C@@H](OC(=O)CCCCCCCCCc1ccccc1)COP(=O)(O)O" . "IHTMTVSBHMPLJC-GOSISDBHSA-N" . "InChI=1S/C19H30BrO6P/c20-15-18(16-25-27(22,23)24)26-19(21)14-10-5-3-1-2-4-7-11-17-12-8-6-9-13-17/h6,8-9,12-13,18H,1-5,7,10-11,14-16H2,(H2,22,23,24)/t18-/m1/s1" . "CCC(n1c(=S)[nH]c(c1C(=O)OC)c1ccno1)c1ccc(c(c1)F)F" . "CC[C@@H](n1c(=S)[nH]c(c1C(=O)OC)c1ccno1)c1ccc(c(c1)F)F" . "SYARXICKXVXWNA-GFCCVEGCSA-N" . "InChI=1S/C17H15F2N3O3S/c1-3-12(9-4-5-10(18)11(19)8-9)22-15(16(23)24-2)14(21-17(22)26)13-6-7-20-25-13/h4-8,12H,3H2,1-2H3,(H,21,26)/t12-/m1/s1" . "Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C" . "Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C" . "KLBHHUODQVCBKX-UHFFFAOYSA-N" . "InChI=1S/C15H15Cl2N5O/c1-7(2)12-9(6-8-4-3-5-10(16)11(8)17)13(23)22-15(19-12)20-14(18)21-22/h3-5,7H,6H2,1-2H3,(H3,18,19,20,21)" . "COc1cc(N)c(cc1C(=O)CCC1CCN(CC1)CC1CCCCC1)Cl" . "COc1cc(N)c(cc1C(=O)CCC1CCN(CC1)CC1CCCCC1)Cl" . "FTRZTHFGTILUPE-UHFFFAOYSA-N" . "InChI=1S/C22H33ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17H,2-12,15,24H2,1H3" . "O=c1c2ccccc2[se]n1c1ccccc1" . "O=c1c2ccccc2[se]n1c1ccccc1" . "DYEFUKCXAQOFHX-UHFFFAOYSA-N" . "InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H" . "OC(=O)CCCCN1CC(Oc2c1cccc2CC(=O)c1ccc(cc1)OCCCCCCc1ccccc1)C(=O)O" . "OC(=O)CCCCN1CC(Oc2c1cccc2CC(=O)c1ccc(cc1)OCCCCCCc1ccccc1)C(=O)O" . "HEZMXOWAEONYPI-UHFFFAOYSA-N" . "InChI=1S/C34H39NO7/c36-30(26-17-19-28(20-18-26)41-22-9-2-1-4-11-25-12-5-3-6-13-25)23-27-14-10-15-29-33(27)42-31(34(39)40)24-35(29)21-8-7-16-32(37)38/h3,5-6,10,12-15,17-20,31H,1-2,4,7-9,11,16,21-24H2,(H,37,38)(H,39,40)" . "O=C(CN1CC(Oc2c1cccc2CC(=O)c1ccc(cc1)OCCCCCc1ccccc1)C(=O)O)CCCC(=O)O" . "O=C(CN1CC(Oc2c1cccc2CC(=O)c1ccc(cc1)OCCCCCc1ccccc1)C(=O)O)CCCC(=O)O" . "MUBSBSWICVQHHN-UHFFFAOYSA-N" . "InChI=1S/C34H37NO8/c36-27(13-8-15-32(38)39)22-35-23-31(34(40)41)43-33-26(12-7-14-29(33)35)21-30(37)25-16-18-28(19-17-25)42-20-6-2-5-11-24-9-3-1-4-10-24/h1,3-4,7,9-10,12,14,16-19,31H,2,5-6,8,11,13,15,20-23H2,(H,38,39)(H,40,41)" . "OC(=O)CCCN1CC(Oc2c1cccc2NC(=O)c1ccc(cc1)OCCCCc1cc(F)ccc1Cl)C(=O)O" . "OC(=O)CCCN1C[C@H](Oc2c1cccc2NC(=O)c1ccc(cc1)OCCCCc1cc(F)ccc1Cl)C(=O)O" . "JCUVQOJHURMRKB-SANMLTNESA-N" . "InChI=1S/C30H30ClFN2O7/c31-23-14-11-21(32)17-20(23)5-1-2-16-40-22-12-9-19(10-13-22)29(37)33-24-6-3-7-25-28(24)41-26(30(38)39)18-34(25)15-4-8-27(35)36/h3,6-7,9-14,17,26H,1-2,4-5,8,15-16,18H2,(H,33,37)(H,35,36)(H,38,39)/t26-/m0/s1" . "N#Cc1ccc(cc1Cl)OC1C(C)(C)C(C1(C)C)NC(=O)c1ccc(cc1)C#CC1CCN(CC1)C(=O)CC(c1ccccc1)NC(=O)C1CC(CN1C(=O)C(c1onc(c1)C)C(C)C)O" . "N#Cc1ccc(cc1Cl)O[C@@H]1C(C)(C)[C@H](C1(C)C)NC(=O)c1ccc(cc1)C#CC1CCN(CC1)C(=O)C[C@@H](c1ccccc1)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](c1onc(c1)C)C(C)C)O" . "RTNONCBKGZNCJS-LJLQSONVSA-N" . "InChI=1S/C52H59ClN6O7/c1-31(2)45(43-25-32(3)57-66-43)48(64)59-30-38(60)26-42(59)47(63)55-41(35-11-9-8-10-12-35)28-44(61)58-23-21-34(22-24-58)14-13-33-15-17-36(18-16-33)46(62)56-49-51(4,5)50(52(49,6)7)65-39-20-19-37(29-54)40(53)27-39/h8-12,15-20,25,27,31,34,38,41-42,45,49-50,60H,21-24,26,28,30H2,1-7H3,(H,55,63)(H,56,62)/t38-,41+,42+,45-,49-,50-/m1/s1" . "O=C1SC(=Cc2ccc(o2)c2ccc(cc2O)F)C(=O)N1" . "O=C1S/C(=C/c2ccc(o2)c2ccc(cc2O)F)/C(=O)N1" . "OYYVWNDMOQPMGE-SDQBBNPISA-N" . "InChI=1S/C14H8FNO4S/c15-7-1-3-9(10(17)5-7)11-4-2-8(20-11)6-12-13(18)16-14(19)21-12/h1-6,17H,(H,16,18,19)/b12-6-" . "COc1ncc(cc1COC1C(N(C(C1C(C)(C)C)C(=O)O)C(=O)C1CCCCO1)c1ccccc1C)C(F)(F)F" . "COc1ncc(cc1CO[C@@H]1[C@@H](N([C@@H]([C@H]1C(C)(C)C)C(=O)O)C(=O)[C@@H]1CCCCO1)c1ccccc1C)C(F)(F)F" . "YFEYDNAKCSOOOG-YCXOGWGTSA-N" . "InChI=1S/C30H37F3N2O6/c1-17-10-6-7-11-20(17)23-25(41-16-18-14-19(30(31,32)33)15-34-26(18)39-5)22(29(2,3)4)24(28(37)38)35(23)27(36)21-12-8-9-13-40-21/h6-7,10-11,14-15,21-25H,8-9,12-13,16H2,1-5H3,(H,37,38)/t21-,22+,23-,24-,25-/m0/s1" . "CCC(c1cccc2c1cccc2)NC(=O)C1OC(=O)N(C1)c1ccc(cc1)C(=N)N" . "CC[C@@H](c1cccc2c1cccc2)NC(=O)[C@@H]1OC(=O)N(C1)c1ccc(cc1)C(=N)N" . "CZGQFMWYGXCTGQ-LEWJYISDSA-N" . "InChI=1S/C24H24N4O3/c1-2-20(19-9-5-7-15-6-3-4-8-18(15)19)27-23(29)21-14-28(24(30)31-21)17-12-10-16(11-13-17)22(25)26/h3-13,20-21H,2,14H2,1H3,(H3,25,26)(H,27,29)/t20-,21+/m0/s1" . "O=C(Nc1c(C)nn(c1C)c1ccccc1)COC(=O)Cc1c(C)[nH]c2c1cccc2" . "O=C(Nc1c(C)nn(c1C)c1ccccc1)COC(=O)Cc1c(C)[nH]c2c1cccc2" . "OWHVQGGLXPNNBI-UHFFFAOYSA-N" . "InChI=1S/C24H24N4O3/c1-15-20(19-11-7-8-12-21(19)25-15)13-23(30)31-14-22(29)26-24-16(2)27-28(17(24)3)18-9-5-4-6-10-18/h4-12,25H,13-14H2,1-3H3,(H,26,29)" . "N1CCN(CC1)c1ccc(cn1)c1nn2c3c1cnc(n3)NCc1nnn(c1)Cc1ccc(Cn3cc(C2)nn3)cc1" . "N1CCN(CC1)c1ccc(cn1)c1nn2c3c1cnc(n3)NCc1nnn(c1)Cc1ccc(Cn3cc(C2)nn3)cc1" . "PXBYPIWEYSTETR-UHFFFAOYSA-N" . "InChI=1S/C28H28N14/c1-3-20-4-2-19(1)14-40-16-22(34-37-40)12-31-28-32-13-24-26(21-5-6-25(30-11-21)39-9-7-29-8-10-39)36-42(27(24)33-28)18-23-17-41(15-20)38-35-23/h1-6,11,13,16-17,29H,7-10,12,14-15,18H2,(H,31,32,33)" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CCCCN)Cc1nc[nH]c1)CC(=O)O)C(C)C)CO)C)CO)CC(C)C)CCCN=C(N)N)CC(=O)O)CC(C)C)CO)Cc1ccccc1)CO)Cc1ccccc1)CO)CCCN=C(N)N)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCCN)Cc1nc[nH]c1)CC(=O)O)C(C)C)CO)C)CO)CC(C)C)CCCN=C(N)N)CC(=O)O)CC(C)C)CO)Cc1ccccc1)CO)Cc1ccccc1)CO)CCCN=C(N)N)N" . "KWLGDIDCTYJFLH-URZJMNTHSA-N" . "InChI=1S/C102H163N33O31/c1-52(2)35-63(90(156)133-72(48-138)95(161)118-55(7)83(149)114-43-77(142)120-71(47-137)97(163)134-81(54(5)6)99(165)130-69(41-80(146)147)94(160)127-67(39-58-42-111-51-117-58)92(158)122-60(82(106)148)26-15-17-31-104)125-87(153)62(28-19-33-113-102(109)110)124-93(159)68(40-79(144)145)128-89(155)64(36-53(3)4)129-98(164)75-29-20-34-135(75)100(166)74(50-140)121-78(143)45-115-85(151)65(37-56-21-10-8-11-22-56)119-76(141)44-116-86(152)70(46-136)131-91(157)66(38-57-23-12-9-13-24-57)126-96(162)73(49-139)132-88(154)61(27-18-32-112-101(107)108)123-84(150)59(105)25-14-16-30-103/h8-13,21-24,42,51-55,59-75,81,136-140H,14-20,25-41,43-50,103-105H2,1-7H3,(H2,106,148)(H,111,117)(H,114,149)(H,115,151)(H,116,152)(H,118,161)(H,119,141)(H,120,142)(H,121,143)(H,122,158)(H,123,150)(H,124,159)(H,125,153)(H,126,162)(H,127,160)(H,128,155)(H,129,164)(H,130,165)(H,131,157)(H,132,154)(H,133,156)(H,134,163)(H,144,145)(H,146,147)(H4,107,108,112)(H4,109,110,113)/t55-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,81-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccccc1)CCC(=O)O)CC(C)C)Cc1ccccc1)C)CCC(=O)O)C)CO)CCC(=O)O)CC(=O)N)CCC(=O)O)C)C(C)C)CC(=O)N)Cc1ccc(cc1)O)C(C)C)NC(=O)C(C(C)C)NC(=O)C1CCCN1C(=O)C(NC(=O)C(CCCN=C(N)N)N)CCCN=C(N)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)CCC(=O)O)CC(C)C)Cc1ccccc1)C)CCC(=O)O)C)CO)CCC(=O)O)CC(=O)N)CCC(=O)O)C)C(C)C)CC(=O)N)Cc1ccc(cc1)O)C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)N)CCCN=C(N)N" . "JKMUANZFHYBAQT-OZIQLYOYSA-N" . "InChI=1S/C121H184N32O36/c1-60(2)53-78(106(175)137-75(41-45-92(162)163)103(172)146-83(119(188)189)56-68-27-16-13-17-28-68)142-110(179)85-32-22-51-152(85)117(186)81(54-67-25-14-12-15-26-67)144-99(168)65(10)132-101(170)73(39-43-90(158)159)135-97(166)64(9)133-109(178)84(59-154)147-104(173)76(42-46-93(164)165)138-107(176)79(57-88(124)156)141-102(171)74(40-44-91(160)161)136-98(167)66(11)134-113(182)94(61(3)4)149-108(177)80(58-89(125)157)143-111(180)86-33-23-52-153(86)118(187)82(55-69-35-37-70(155)38-36-69)145-115(184)95(62(5)6)148-105(174)72(30-18-19-47-122)139-114(183)96(63(7)8)150-112(181)87-34-24-50-151(87)116(185)77(31-21-49-131-121(128)129)140-100(169)71(123)29-20-48-130-120(126)127/h12-17,25-28,35-38,60-66,71-87,94-96,154-155H,18-24,29-34,39-59,122-123H2,1-11H3,(H2,124,156)(H2,125,157)(H,132,170)(H,133,178)(H,134,182)(H,135,166)(H,136,167)(H,137,175)(H,138,176)(H,139,183)(H,140,169)(H,141,171)(H,142,179)(H,143,180)(H,144,168)(H,145,184)(H,146,172)(H,147,173)(H,148,174)(H,149,177)(H,150,181)(H,158,159)(H,160,161)(H,162,163)(H,164,165)(H,188,189)(H4,126,127,130)(H4,128,129,131)/t64-,65-,66-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,94-,95-,96-/m0/s1" . "NCCCCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(CC)C)C(=O)N)CCCN=C(N)N)C)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C1CSSCC(NC(=O)C(NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C(NC(=O)CNC(=O)C(Cc2ccc(cc2)O)N)CCC(=O)N)CCSC)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1)CCC(=O)N)CCC(=O)O)C)C)CCCN=C(N)N" . "NCCCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)N)CCCN=C(N)N)C)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc2ccc(cc2)O)N)CCC(=O)N)CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCC(=O)N)CCC(=O)O)C)C)CCCN=C(N)N" . "PNNVWALMJPZPKN-UNDUOMTFSA-N" . "InChI=1S/C93H153N31O28S3/c1-11-46(6)73(74(98)135)123-84(145)55(19-15-34-104-93(101)102)113-76(137)48(8)108-66(128)39-107-79(140)53(17-12-13-32-94)114-80(141)54(18-14-33-103-92(99)100)117-90(151)71(44(2)3)121-77(138)49(9)110-87(148)61-42-154-155-43-62(88(149)118-60(38-70(133)134)86(147)109-47(7)75(136)105-40-67(129)112-57(27-30-69(131)132)81(142)115-58(82(143)119-61)26-29-65(97)127)120-83(144)59(31-36-153-10)116-89(150)63-20-16-35-124(63)91(152)72(45(4)5)122-85(146)56(25-28-64(96)126)111-68(130)41-106-78(139)52(95)37-50-21-23-51(125)24-22-50/h21-24,44-49,52-63,71-73,125H,11-20,25-43,94-95H2,1-10H3,(H2,96,126)(H2,97,127)(H2,98,135)(H,105,136)(H,106,139)(H,107,140)(H,108,128)(H,109,147)(H,110,148)(H,111,130)(H,112,129)(H,113,137)(H,114,141)(H,115,142)(H,116,150)(H,117,151)(H,118,149)(H,119,143)(H,120,144)(H,121,138)(H,122,146)(H,123,145)(H,131,132)(H,133,134)(H4,99,100,103)(H4,101,102,104)/t46-,47-,48-,49-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,71-,72-,73-/m0/s1" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)O)CCCN=C(N)N)CO)CC(=O)N)CO)CC(C)C)CCCN=C(N)N)CC(=O)N)CCCN=C(N)N)C(CC)C)CCCN=C(N)N)CC(=O)O)NC(=O)C1CCCN1C(=O)C(C(CC)C)NC(=O)CNC(=O)C(NC(=O)C(CCCN=C(N)N)N)Cc1ccccc1" . "CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)CCCN=C(N)N)CO)CC(=O)N)CO)CC(C)C)CCCN=C(N)N)CC(=O)N)CCCN=C(N)N)[C@H](CC)C)CCCN=C(N)N)CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](CC)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)N)Cc1ccccc1" . "LBPSGCKOVGOHBM-ZGLUUWDISA-N" . "InChI=1S/C91H156N36O26S/c1-8-46(5)69(126-77(144)53(25-17-32-109-91(103)104)116-81(148)59(39-67(134)135)122-76(143)54(27-34-154-7)117-84(151)62-26-18-33-127(62)86(153)70(47(6)9-2)125-66(133)41-110-73(140)56(36-48-19-11-10-12-20-48)118-71(138)49(92)21-13-28-105-87(95)96)85(152)111-40-65(132)113-51(23-15-30-107-89(99)100)74(141)120-57(37-63(93)130)79(146)115-52(24-16-31-108-90(101)102)75(142)119-55(35-45(3)4)78(145)123-61(44-129)83(150)121-58(38-64(94)131)80(147)124-60(43-128)82(149)114-50(22-14-29-106-88(97)98)72(139)112-42-68(136)137/h10-12,19-20,45-47,49-62,69-70,128-129H,8-9,13-18,21-44,92H2,1-7H3,(H2,93,130)(H2,94,131)(H,110,140)(H,111,152)(H,112,139)(H,113,132)(H,114,149)(H,115,146)(H,116,148)(H,117,151)(H,118,138)(H,119,142)(H,120,141)(H,121,150)(H,122,143)(H,123,145)(H,124,147)(H,125,133)(H,126,144)(H,134,135)(H,136,137)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H4,103,104,109)/t46-,47-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,69-,70-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CC(C)C)CCCCN)CCC(=O)N)C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)N)CC(C)C)Cc1ccccc1)Cc1nc[nH]c1)Cc1ccc(cc1)O)CO" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)CCCCN)CCC(=O)N)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)N)CC(C)C)Cc1ccccc1)Cc1nc[nH]c1)Cc1ccc(cc1)O)CO" . "LAHQIXAOZMTTQC-LEOUQZHDSA-N" . "InChI=1S/C69H103N17O15/c1-39(2)30-51(59(74)91)80-61(93)48(20-12-14-28-70)77-62(94)50(26-27-57(73)90)79-69(101)58(41(5)88)86-63(95)49(21-13-15-29-71)78-68(100)56(37-87)85-66(98)54(34-44-22-24-46(89)25-23-44)83-67(99)55(35-45-36-75-38-76-45)84-65(97)53(33-43-18-10-7-11-19-43)82-64(96)52(31-40(3)4)81-60(92)47(72)32-42-16-8-6-9-17-42/h6-11,16-19,22-25,36,38-41,47-56,58,87-89H,12-15,20-21,26-35,37,70-72H2,1-5H3,(H2,73,90)(H2,74,91)(H,75,76)(H,77,94)(H,78,100)(H,79,101)(H,80,93)(H,81,92)(H,82,96)(H,83,99)(H,84,97)(H,85,98)(H,86,95)/t41-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,58+/m1/s1" . "COc1ccnc(c1C)CS(=O)c1nc2c([nH]1)cc(cc2)n1cccc1" . "COc1ccnc(c1C)CS(=O)c1nc2c([nH]1)cc(cc2)n1cccc1" . "HRRXCXABAPSOCP-UHFFFAOYSA-N" . "InChI=1S/C19H18N4O2S/c1-13-17(20-8-7-18(13)25-2)12-26(24)19-21-15-6-5-14(11-16(15)22-19)23-9-3-4-10-23/h3-11H,12H2,1-2H3,(H,21,22)" . "CC(CC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)C(C)C)CCC(=O)N)NC(=O)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(CC(C)C)N)C)C" . "CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CCC(=O)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CC(C)C)N)C)C" . "NLEQDIXNHJSWHA-UPULOONWSA-N" . "InChI=1S/C58H91N13O13/c1-29(2)24-37(59)50(75)65-40(26-35-27-61-38-17-13-12-16-36(35)38)52(77)67-46(31(5)6)55(80)68-47(32(7)8)57(82)71-23-14-18-42(71)53(78)62-28-45(73)63-34(11)49(74)66-41(25-30(3)4)56(81)70-22-15-19-43(70)54(79)64-39(20-21-44(60)72)51(76)69-48(33(9)10)58(83)84/h12-13,16-17,27,29-34,37,39-43,46-48,61H,14-15,18-26,28,59H2,1-11H3,(H2,60,72)(H,62,78)(H,63,73)(H,64,79)(H,65,75)(H,66,74)(H,67,77)(H,68,80)(H,69,76)(H,83,84)/t34-,37-,39-,40-,41-,42-,43-,46-,47-,48-/m0/s1" . "CC1CN(C(C1)(C)C)c1nc(ccc1C(=O)NS(=O)(=O)c1ccccc1)n1ccc(n1)OCCC1(CC1)C(F)(F)F" . "C[C@@H]1CN(C(C1)(C)C)c1nc(ccc1C(=O)NS(=O)(=O)c1ccccc1)n1ccc(n1)OCCC1(CC1)C(F)(F)F" . "IGEOJNMYRZUKIK-IBGZPJMESA-N" . "InChI=1S/C28H32F3N5O4S/c1-19-17-26(2,3)35(18-19)24-21(25(37)34-41(38,39)20-7-5-4-6-8-20)9-10-22(32-24)36-15-11-23(33-36)40-16-14-27(12-13-27)28(29,30)31/h4-11,15,19H,12-14,16-18H2,1-3H3,(H,34,37)/t19-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)C(C)C)CCC(=O)N)CC(C)C)C)C(C)C)C(C)C)Cc1c[nH]c2c1cccc2)CC(C)C)CCCN=C(N)N)CCC(=O)O)CCC(=O)O)CC(C)C)NC(=O)C1CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(Cc2c[nH]c3c2cccc3)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2CCCN2C(=O)C(NC(=O)C(NC(=O)C(CCCCN)N)CCCN=C(N)N)CCCN=C(N)N)C)CCCCN)C)CO)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)C(=O)NC2CSSCC(C(=O)NC(C(=O)N3C(C(=O)N1)CCC3)CCCCN)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(Cc1c[nH]cn1)NC(=O)C(NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C3N(C(=O)C(NC(=O)C(NC(=O)C(NC2=O)Cc2c[nH]cn2)CCCN=C(N)N)C(C)C)CCC3)CO)CCC1)CC(=O)N)CO)C(O)C)CC(=O)N)Cc1c[nH]cn1)C(C)C" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CCC(=O)N)CC(C)C)C)C(C)C)C(C)C)Cc1c[nH]c2c1cccc2)CC(C)C)CCCN=C(N)N)CCC(=O)O)CCC(=O)O)CC(C)C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)N)CCCN=C(N)N)CCCN=C(N)N)C)CCCCN)C)CO)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N3[C@H](C(=O)N1)CCC3)CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1N(C(=O)[C@@H](NC(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)Cc2c[nH]cn2)CCCN=C(N)N)C(C)C)CCC3)CO)CCC1)CC(=O)N)CO)[C@H](O)C)CC(=O)N)Cc1c[nH]cn1)C(C)C" . "MKYBCIBFBPPBKT-QSWODBGPSA-N" . "FCCCN1CCC(C1)Oc1ccc(cc1)C1=C(CCCc2c1ccc(c2)C(=O)O)c1ccc(cc1Cl)Cl" . "FCCCN1CCC(C1)Oc1ccc(cc1)C1=C(CCCc2c1ccc(c2)C(=O)O)c1ccc(cc1Cl)Cl" . "KISZAGQTIXIVAR-UHFFFAOYSA-N" . "InChI=1S/C31H30Cl2FNO3/c32-23-8-12-27(29(33)18-23)28-4-1-3-21-17-22(31(36)37)7-11-26(21)30(28)20-5-9-24(10-6-20)38-25-13-16-35(19-25)15-2-14-34/h5-12,17-18,25H,1-4,13-16,19H2,(H,36,37)" . "CCN(CCOc1ccc(cc1)C(=O)c1c(sc2c1ccc(c2)O)c1ccc(cc1)O)CCCCCOCC(=O)NC(C(C)(C)C)C(=O)N1CC(CC1C(=O)NC(c1ccc(cc1)c1scnc1C)C)O" . "CCN(CCOc1ccc(cc1)C(=O)c1c(sc2c1ccc(c2)O)c1ccc(cc1)O)CCCCCOCC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@H](c1ccc(cc1)c1scnc1C)C)O" . "BQXUPNKLZNSUMC-YUQWMIPFSA-N" . "InChI=1S/C55H65N5O9S2/c1-7-59(26-28-69-43-22-17-37(18-23-43)49(65)48-44-24-21-41(62)30-46(44)71-51(48)39-15-19-40(61)20-16-39)25-9-8-10-27-68-32-47(64)58-52(55(4,5)6)54(67)60-31-42(63)29-45(60)53(66)57-34(2)36-11-13-38(14-12-36)50-35(3)56-33-70-50/h11-24,30,33-34,42,45,52,61-63H,7-10,25-29,31-32H2,1-6H3,(H,57,66)(H,58,64)/t34-,42+,45-,52+/m0/s1" . "OC1CC(N(C1)C(=O)C(C(C)(C)C)NC(=O)COCCCOCCNC(=O)CC1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C)C(=O)NC(c1ccc(cc1)c1scnc1C)C" . "O[C@@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)COCCCOCCNC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C)C(=O)N[C@H](c1ccc(cc1)c1scnc1C)C" . "PQOGZKGXGLHDGS-QQRWPDCKSA-N" . "InChI=1S/C49H60ClN9O7S2/c1-27-30(4)68-48-41(27)42(33-14-16-35(50)17-15-33)54-37(45-57-56-31(5)59(45)48)23-39(61)51-18-21-65-19-9-20-66-25-40(62)55-44(49(6,7)8)47(64)58-24-36(60)22-38(58)46(63)53-28(2)32-10-12-34(13-11-32)43-29(3)52-26-67-43/h10-17,26,28,36-38,44,60H,9,18-25H2,1-8H3,(H,51,61)(H,53,63)(H,55,62)/t28-,36+,37-,38-,44+/m0/s1" . "OC1CC(N(C1)C(=O)C(C(C)(C)C)NC(=O)CCCCCCCCCCNCCCONC(=O)c1ccc(c(c1Nc1ccc(cc1F)I)F)F)C(=O)NC(c1ccc(cc1)c1scnc1C)C" . "O[C@@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCCCNCCCONC(=O)c1ccc(c(c1Nc1ccc(cc1F)I)F)F)C(=O)N[C@H](c1ccc(cc1)c1scnc1C)C" . "KCBAMQOKOLXLOX-BSZYMOERSA-N" . "InChI=1S/C50H65F3IN7O6S/c1-31(33-16-18-34(19-17-33)45-32(2)56-30-68-45)57-48(65)41-28-36(62)29-61(41)49(66)46(50(3,4)5)59-42(63)15-12-10-8-6-7-9-11-13-24-55-25-14-26-67-60-47(64)37-21-22-38(51)43(53)44(37)58-40-23-20-35(54)27-39(40)52/h16-23,27,30-31,36,41,46,55,58,62H,6-15,24-26,28-29H2,1-5H3,(H,57,65)(H,59,63)(H,60,64)/t31-,36+,41-,46+/m0/s1" . "COc1ccc(cc1)Cc1ccc(cc1)c1csc(n1)N" . "COc1ccc(cc1)Cc1ccc(cc1)c1csc(n1)N" . "GGCCOFFVKJCRKJ-UHFFFAOYSA-N" . "InChI=1S/C17H16N2OS/c1-20-15-8-4-13(5-9-15)10-12-2-6-14(7-3-12)16-11-21-17(18)19-16/h2-9,11H,10H2,1H3,(H2,18,19)" . "CCCC(c1ccccc1)NC(=O)c1ccc(c(c1)C(=O)O)c1c(Cl)cccc1c1nc2c([nH]1)cccc2" . "CCC[C@H](c1ccccc1)NC(=O)c1ccc(c(c1)C(=O)O)c1c(Cl)cccc1c1nc2c([nH]1)cccc2" . "KCWRZNXFHSFVKD-RUZDIDTESA-N" . "InChI=1S/C31H26ClN3O3/c1-2-9-25(19-10-4-3-5-11-19)35-30(36)20-16-17-21(23(18-20)31(37)38)28-22(12-8-13-24(28)32)29-33-26-14-6-7-15-27(26)34-29/h3-8,10-18,25H,2,9H2,1H3,(H,33,34)(H,35,36)(H,37,38)/t25-/m1/s1" . "Nc1cccc(c1)S(=O)(=O)N1CCCN(CC1)S(=O)(=O)c1ccc2c(c1)OCCO2" . "Nc1cccc(c1)S(=O)(=O)N1CCCN(CC1)S(=O)(=O)c1ccc2c(c1)OCCO2" . "GMHIOMMKSMSRLY-UHFFFAOYSA-N" . "InChI=1S/C19H23N3O6S2/c20-15-3-1-4-16(13-15)29(23,24)21-7-2-8-22(10-9-21)30(25,26)17-5-6-18-19(14-17)28-12-11-27-18/h1,3-6,13-14H,2,7-12,20H2" . "Nc1cccc(c1)Cn1ncc2c(c1=O)n(C)c1c2sc(c1)S(=O)C" . "Nc1cccc(c1)Cn1ncc2c(c1=O)n(C)c1c2sc(c1)S(=O)C" . "ZWKJWVSEDISQIS-UHFFFAOYSA-N" . "InChI=1S/C17H16N4O2S2/c1-20-13-7-14(25(2)23)24-16(13)12-8-19-21(17(22)15(12)20)9-10-4-3-5-11(18)6-10/h3-8H,9,18H2,1-2H3" . "Nc1sc2c(n1)c1ccccc1c(c2)C" . "Nc1sc2c(n1)c1ccccc1c(c2)C" . "JQZQMZXXJFFVFE-UHFFFAOYSA-N" . "InChI=1S/C12H10N2S/c1-7-6-10-11(14-12(13)15-10)9-5-3-2-4-8(7)9/h2-6H,1H3,(H2,13,14)" . "CC1CN(C(C1)(C)C)c1nc(ccc1C(=O)NS(=O)(=O)c1cn(nc1C)C)n1ccc(n1)OCC(C(F)(F)F)(C)C" . "C[C@@H]1CN(C(C1)(C)C)c1nc(ccc1C(=O)NS(=O)(=O)c1cn(nc1C)C)n1ccc(n1)OCC(C(F)(F)F)(C)C" . "MVRHVFSOIWFBTE-INIZCTEOSA-N" . "InChI=1S/C26H34F3N7O4S/c1-16-12-25(5,6)35(13-16)22-18(23(37)33-41(38,39)19-14-34(7)31-17(19)2)8-9-20(30-22)36-11-10-21(32-36)40-15-24(3,4)26(27,28)29/h8-11,14,16H,12-13,15H2,1-7H3,(H,33,37)/t16-/m0/s1" . "OCCN(C1CCN(CC1)c1ccc(cc1F)Nc1ncc(c(n1)c1cnn(c1)C(C)C)C)C" . "OCCN(C1CCN(CC1)c1ccc(cc1F)Nc1ncc(c(n1)c1cnn(c1)C(C)C)C)C" . "CVLXNRIQVFIVGY-UHFFFAOYSA-N" . "InChI=1S/C25H34FN7O/c1-17(2)33-16-19(15-28-33)24-18(3)14-27-25(30-24)29-20-5-6-23(22(26)13-20)32-9-7-21(8-10-32)31(4)11-12-34/h5-6,13-17,21,34H,7-12H2,1-4H3,(H,27,29,30)" . "Fc1cc(cc(c1)c1ncncc1F)c1nnc(o1)c1ccc(cc1)C(=O)NC(c1ccc(cc1Cl)c1ccc(cc1)F)Cn1ccnc1" . "Fc1cc(cc(c1)c1ncncc1F)c1nnc(o1)c1ccc(cc1)C(=O)N[C@H](c1ccc(cc1Cl)c1ccc(cc1)F)Cn1ccnc1" . "ZSDQWZVUVIKSDR-YTTGMZPUSA-N" . "InChI=1S/C36H23ClF3N7O2/c37-30-16-24(21-5-8-27(38)9-6-21)7-10-29(30)32(18-47-12-11-41-20-47)44-34(48)22-1-3-23(4-2-22)35-45-46-36(49-35)26-13-25(14-28(39)15-26)33-31(40)17-42-19-43-33/h1-17,19-20,32H,18H2,(H,44,48)/t32-/m0/s1" . "O=C(CN1CCC(CC1)C(=O)Nc1ncc(s1)SCc1ncc(o1)C(C)(C)C)NCCOCCOCCOCCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O" . "O=C(CN1CCC(CC1)C(=O)Nc1ncc(s1)SCc1ncc(o1)C(C)(C)C)NCCOCCOCCOCCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O" . "BXDZOYLPNAIDOC-UHFFFAOYSA-N" . "InChI=1S/C40H52N8O10S2/c1-40(2,3)29-21-43-32(58-29)24-59-33-22-44-39(60-33)46-35(51)25-9-13-47(14-10-25)23-31(50)42-12-16-56-18-20-57-19-17-55-15-11-41-27-6-4-5-26-34(27)38(54)48(37(26)53)28-7-8-30(49)45-36(28)52/h4-6,21-22,25,28,41H,7-20,23-24H2,1-3H3,(H,42,50)(H,44,46,51)(H,45,49,52)" . "COc1cc(cc(c1CN(CC(=O)NCCCCCCCCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)C)OC)c1cn(C)c(=O)c2c1ccnc2" . "COc1cc(cc(c1CN(CC(=O)NCCCCCCCCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)C)OC)c1cn(C)c(=O)c2c1ccnc2" . "ZDINQSNMYRVAGP-UHFFFAOYSA-N" . "InChI=1S/C42H49N7O8/c1-47(23-31-34(56-3)20-26(21-35(31)57-4)30-24-48(2)40(53)29-22-43-19-16-27(29)30)25-37(51)45-18-10-8-6-5-7-9-17-44-32-13-11-12-28-38(32)42(55)49(41(28)54)33-14-15-36(50)46-39(33)52/h11-13,16,19-22,24,33,44H,5-10,14-15,17-18,23,25H2,1-4H3,(H,45,51)(H,46,50,52)" . "COc1cc(cc(c1CN(CC(=O)NCCOCCOCCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)C)OC)c1cn(C)c(=O)c2c1ccnc2" . "COc1cc(cc(c1CN(CC(=O)NCCOCCOCCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)C)OC)c1cn(C)c(=O)c2c1ccnc2" . "AIOCFZJGGGEWDK-UHFFFAOYSA-N" . "InChI=1S/C40H45N7O10/c1-45(21-29-32(54-3)18-24(19-33(29)55-4)28-22-46(2)38(51)27-20-41-11-10-25(27)28)23-35(49)43-13-15-57-17-16-56-14-12-42-30-7-5-6-26-36(30)40(53)47(39(26)52)31-8-9-34(48)44-37(31)50/h5-7,10-11,18-20,22,31,42H,8-9,12-17,21,23H2,1-4H3,(H,43,49)(H,44,48,50)" . "O=C(CCc1ccc2c(c1)[nH]c1c2cncc1)NCCOCCOCCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O" . "O=C(CCc1ccc2c(c1)[nH]c1c2cncc1)NCCOCCOCCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O" . "NWTCZTAQSRLSCP-UHFFFAOYSA-N" . "InChI=1S/C33H34N6O7/c40-28(8-5-20-4-6-21-23-19-34-11-10-24(23)37-26(21)18-20)36-13-15-46-17-16-45-14-12-35-25-3-1-2-22-30(25)33(44)39(32(22)43)27-7-9-29(41)38-31(27)42/h1-4,6,10-11,18-19,27,35,37H,5,7-9,12-17H2,(H,36,40)(H,38,41,42)" . "Cc1ccc(s1)S(=O)(=O)Nc1ccccc1N1CCCCC1" . "Cc1ccc(s1)S(=O)(=O)Nc1ccccc1N1CCCCC1" . "IRGYSXZCDAWOOC-UHFFFAOYSA-N" . "InChI=1S/C16H20N2O2S2/c1-13-9-10-16(21-13)22(19,20)17-14-7-3-4-8-15(14)18-11-5-2-6-12-18/h3-4,7-10,17H,2,5-6,11-12H2,1H3" . "Fc1ccc2c(c1CNc1ncc(c3n1cnn3)c1cccnc1C)CCO2" . "Fc1ccc2c(c1CNc1ncc(c3n1cnn3)c1cccnc1C)CCO2" . "XLIBABIFOBYHSV-UHFFFAOYSA-N" . "InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24)" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)C(O)C)CO)CCSC)CC(C)C)CC(=O)N)C(O)C)Cc1c[nH]cn1)CCC(=O)O)CCCCN)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)CNC(=O)C(C(O)C)NC(=O)C(NC(=O)C(N)C)CC(C)C)CCCCN)CCC(=O)N)CCSC)CCCCN)CCSC)CCSC)CCC(=O)O)CCCN=C(N)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)[C@H](O)C)CO)CCSC)CC(C)C)CC(=O)N)[C@H](O)C)Cc1c[nH]cn1)CCC(=O)O)CCCCN)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](N)C)CC(C)C)CCCCN)CCC(=O)N)CCSC)CCCCN)CCSC)CCSC)CCC(=O)O)CCCN=C(N)N" . "RVUJAIDUVQKVDU-OTFOMDLSSA-N" . "InChI=1S/C130H229N37O39S4/c1-19-68(9)100(163-96(174)62-142-124(200)102(71(12)169)165-121(197)89(57-66(5)6)157-105(181)70(11)135)125(201)155-77(32-23-27-49-133)108(184)148-80(35-39-94(136)172)110(186)152-84(43-52-207-15)114(190)146-78(33-24-28-50-134)118(194)164-101(69(10)20-2)126(202)156-87(46-55-210-18)116(192)153-85(44-53-208-16)115(191)151-82(37-41-98(177)178)112(188)147-79(34-29-51-141-130(138)139)109(185)144-75(30-21-25-47-131)106(182)149-81(36-40-97(175)176)111(187)145-76(31-22-26-48-132)107(183)150-83(38-42-99(179)180)113(189)159-90(59-74-61-140-64-143-74)122(198)166-103(72(13)170)127(203)160-91(60-95(137)173)120(196)158-88(56-65(3)4)119(195)154-86(45-54-209-17)117(193)162-93(63-168)123(199)167-104(73(14)171)128(204)161-92(129(205)206)58-67(7)8/h61,64-73,75-93,100-104,168-171H,19-60,62-63,131-135H2,1-18H3,(H2,136,172)(H2,137,173)(H,140,143)(H,142,200)(H,144,185)(H,145,187)(H,146,190)(H,147,188)(H,148,184)(H,149,182)(H,150,183)(H,151,191)(H,152,186)(H,153,192)(H,154,195)(H,155,201)(H,156,202)(H,157,181)(H,158,196)(H,159,189)(H,160,203)(H,161,204)(H,162,193)(H,163,174)(H,164,194)(H,165,197)(H,166,198)(H,167,199)(H,175,176)(H,177,178)(H,179,180)(H,205,206)(H4,138,139,141)/t68-,69-,70-,71+,72+,73+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,100-,101-,102-,103-,104-/m0/s1" . "OCc1cc(ccc1O)C(CNC(C)(C)C)O" . "OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O" . "NDAUXUAQIAJITI-LBPRGKRZSA-N" . "InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m0/s1" . "CCC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC1CSSCC(NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)C(C)C)CC(=O)O)Cc1ccccc1)CC(C)C)CCC2)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)O)CC(=O)N)C(O)C)CO)C(CC)C)CCCN=C(N)N)Cc1ccccc1)CO)CCCN=C(N)N)C)CCC(=O)O)CCCN=C(N)N)Cc1nc[nH]c1)CO)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(C(O)C)NC(=O)C(NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(CC(=O)O)N)CC(C)C)CC(C)C)CCCN=C(N)N)Cc1ccc(cc1)O)CCC(=O)N)Cc1nc[nH]c1)C" . "CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)CC(=O)O)Cc1ccccc1)CC(C)C)CCC2)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)CC(=O)N)[C@H](O)C)CO)[C@H](CC)C)CCCN=C(N)N)Cc1ccccc1)CO)CCCN=C(N)N)C)CCC(=O)O)CCCN=C(N)N)Cc1nc[nH]c1)CO)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)CC(C)C)CC(C)C)CCCN=C(N)N)Cc1ccc(cc1)O)CCC(=O)N)Cc1nc[nH]c1)C" . "NZRXPCZWIFPFBB-SZWZVGMQSA-N" . "InChI=1S/C215H330N68O58S2/c1-19-110(13)167(275-190(321)141(87-121-93-232-104-245-121)265-201(332)165(108(9)10)272-182(313)132(63-65-156(217)290)255-186(317)138(84-118-59-61-122(289)62-60-118)264-199(330)153-56-38-76-281(153)207(338)155-58-40-78-283(155)208(339)170(115(18)288)277-181(312)131(52-34-72-238-215(229)230)257-198(329)152-55-37-75-280(152)206(337)154-57-39-77-282(154)205(336)143(81-107(7)8)267-184(315)135(80-106(5)6)258-173(304)124(216)88-163(298)299)203(334)270-146(99-285)192(323)263-140(86-120-92-231-103-244-120)188(319)252-128(49-31-69-235-212(223)224)178(309)254-133(64-66-162(296)297)177(308)246-112(15)171(302)251-127(48-30-68-234-211(221)222)175(306)242-96-160(294)279-74-36-54-151(279)197(328)269-145(98-284)191(322)261-136(82-116-41-23-21-24-42-116)185(316)253-130(51-33-71-237-214(227)228)180(311)274-168(111(14)20-2)204(335)271-149-102-343-342-101-148(194(325)268-147(100-286)193(324)276-169(114(17)287)200(331)241-95-158(292)248-144(209(340)341)89-157(218)291)249-159(293)94-240-174(305)126(47-29-67-233-210(219)220)250-172(303)113(16)247-183(314)139(85-119-91-239-125-46-28-27-45-123(119)125)262-179(310)129(50-32-70-236-213(225)226)256-196(327)150-53-35-73-278(150)161(295)97-243-176(307)134(79-105(3)4)259-187(318)137(83-117-43-25-22-26-44-117)260-189(320)142(90-164(300)301)266-202(333)166(109(11)12)273-195(149)326/h21-28,41-46,59-62,91-93,103-115,124,126-155,165-170,239,284-289H,19-20,29-40,47-58,63-90,94-102,216H2,1-18H3,(H2,217,290)(H2,218,291)(H,231,244)(H,232,245)(H,240,305)(H,241,331)(H,242,306)(H,243,307)(H,246,308)(H,247,314)(H,248,292)(H,249,293)(H,250,303)(H,251,302)(H,252,319)(H,253,316)(H,254,309)(H,255,317)(H,256,327)(H,257,329)(H,258,304)(H,259,318)(H,260,320)(H,261,322)(H,262,310)(H,263,323)(H,264,330)(H,265,332)(H,266,333)(H,267,315)(H,268,325)(H,269,328)(H,270,334)(H,271,335)(H,272,313)(H,273,326)(H,274,311)(H,275,321)(H,276,324)(H,277,312)(H,296,297)(H,298,299)(H,300,301)(H,340,341)(H4,219,220,233)(H4,221,222,234)(H4,223,224,235)(H4,225,226,236)(H4,227,228,237)(H4,229,230,238)/t110-,111-,112-,113-,114+,115+,124-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,165-,166-,167-,168-,169-,170-/m0/s1" . "NCCCCC1NC(=O)C(CCCCN)NC(=O)C2CCCN2C(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CSSCC(NC(=O)C(NC1=O)C(O)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(CC)C)C(=O)O)C(CC)C)Cc1c[nH]c2c1cccc2)CCC(=O)O)CO)C(C)C)CO)NC(=O)C(NC(=O)C(CCC(=O)O)N)CC(=O)O)CCCCN)Cc1ccc(cc1)O)C(CC)C)C(C)C)C(C)C" . "NCCCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC1=O)[C@H](O)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)[C@H](CC)C)Cc1c[nH]c2c1cccc2)CCC(=O)O)CO)C(C)C)CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)N)CC(=O)O)CCCCN)Cc1ccc(cc1)O)[C@H](CC)C)C(C)C)C(C)C" . "JXASPFJVDIPKEB-XNSPQFCGSA-N" . "InChI=1S/C127H204N30O39S2/c1-14-66(10)100-123(191)152-99(65(8)9)122(190)151-98(64(6)7)120(188)141-82(44-47-94(166)167)109(177)136-76(32-19-24-48-128)105(173)135-78(34-21-26-50-130)108(176)145-86(57-96(170)171)126(194)157-53-29-37-91(157)119(187)140-79(35-22-27-51-131)106(174)137-80(36-23-28-52-132)111(179)156-103(69(13)160)125(193)149-90(62-198-197-61-89(148-112(180)85(56-95(168)169)142-104(172)74(133)42-45-92(162)163)117(185)138-77(33-20-25-49-129)107(175)143-83(113(181)153-100)54-70-38-40-72(161)41-39-70)118(186)146-88(60-159)116(184)150-97(63(4)5)121(189)147-87(59-158)115(183)139-81(43-46-93(164)165)110(178)144-84(55-71-58-134-75-31-18-17-30-73(71)75)114(182)154-101(67(11)15-2)124(192)155-102(127(195)196)68(12)16-3/h17-18,30-31,38-41,58,63-69,74,76-91,97-103,134,158-161H,14-16,19-29,32-37,42-57,59-62,128-133H2,1-13H3,(H,135,173)(H,136,177)(H,137,174)(H,138,185)(H,139,183)(H,140,187)(H,141,188)(H,142,172)(H,143,175)(H,144,178)(H,145,176)(H,146,186)(H,147,189)(H,148,180)(H,149,193)(H,150,184)(H,151,190)(H,152,191)(H,153,181)(H,154,182)(H,155,192)(H,156,179)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,170,171)(H,195,196)/t66-,67-,68-,69+,74-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,97-,98-,99-,100-,101-,102-,103-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCC(=O)O)Cc1ccccc1)CC(=O)O)CO)CC(=O)N)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(CCCCN)N)CCCN=C(N)N)CC(C)C)C)CC(C)C)Cc1ccccc1)CC(=O)N)Cc1ccc(cc1)O)Cc1ccccc1)CC(=O)O)CC(C)C)CCC(=O)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)Cc1ccccc1)CC(=O)O)CO)CC(=O)N)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)N)CCCN=C(N)N)CC(C)C)C)CC(C)C)Cc1ccccc1)CC(=O)N)Cc1ccc(cc1)O)Cc1ccccc1)CC(=O)O)CC(C)C)CCC(=O)N" . "USZLWOIXWADXRT-HXRUCQLXSA-N" . "InChI=1S/C127H181N31O34/c1-67(2)52-84(145-110(175)81(36-23-49-136-127(134)135)140-107(172)78(130)33-19-21-47-128)108(173)138-65-102(164)139-70(7)106(171)144-85(53-68(3)4)113(178)146-88(56-72-28-13-9-14-29-72)116(181)154-94(61-101(133)163)124(189)157-50-24-38-98(157)123(188)153-90(58-74-39-41-76(160)42-40-74)115(180)147-89(57-73-30-15-10-16-31-73)117(182)155-95(63-105(169)170)125(190)158-51-25-37-97(158)122(187)152-86(54-69(5)6)112(177)142-82(43-45-99(131)161)111(176)149-91(59-75-64-137-79-34-18-17-32-77(75)79)118(183)141-80(35-20-22-48-129)109(174)150-92(60-100(132)162)119(184)156-96(66-159)121(186)151-93(62-104(167)168)120(185)148-87(55-71-26-11-8-12-27-71)114(179)143-83(126(191)192)44-46-103(165)166/h8-18,26-32,34,39-42,64,67-70,78,80-98,137,159-160H,19-25,33,35-38,43-63,65-66,128-130H2,1-7H3,(H2,131,161)(H2,132,162)(H2,133,163)(H,138,173)(H,139,164)(H,140,172)(H,141,183)(H,142,177)(H,143,179)(H,144,171)(H,145,175)(H,146,178)(H,147,180)(H,148,185)(H,149,176)(H,150,174)(H,151,186)(H,152,187)(H,153,188)(H,154,181)(H,155,182)(H,156,184)(H,165,166)(H,167,168)(H,169,170)(H,191,192)(H4,134,135,136)/t70-,78-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(CC)C)C(=O)O)CC(=O)O)C(C)C)Cc1ccc(cc1)O)C(CC)C)CC(=O)N)C(CC)C)CC(C)C)Cc1ccc(cc1)O)CC(=O)O)CC(C)C)CCCN=C(N)N)CO)Cc1ccc(cc1)O)CCCN=C(N)N)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)CC(=O)O)C(C)C)Cc1ccc(cc1)O)[C@H](CC)C)CC(=O)N)[C@H](CC)C)CC(C)C)Cc1ccc(cc1)O)CC(=O)O)CC(C)C)CCCN=C(N)N)CO)Cc1ccc(cc1)O)CCCN=C(N)N)N" . "CCMVMLBWJFAFRO-IAMXVIFYSA-N" . "InChI=1S/C97H153N25O27/c1-13-51(10)77(93(146)115-67(42-56-27-33-59(126)34-28-56)89(142)120-76(50(8)9)92(145)117-70(45-75(131)132)90(143)122-79(95(148)149)53(12)15-3)119-73(128)46-107-81(134)68(43-72(100)127)116-94(147)78(52(11)14-2)121-88(141)64(39-49(6)7)111-85(138)65(40-54-23-29-57(124)30-24-54)113-87(140)69(44-74(129)130)114-84(137)63(38-48(4)5)110-83(136)62(22-19-37-106-97(103)104)109-91(144)71(47-123)118-86(139)66(41-55-25-31-58(125)32-26-55)112-82(135)61(21-18-36-105-96(101)102)108-80(133)60(99)20-16-17-35-98/h23-34,48-53,60-71,76-79,123-126H,13-22,35-47,98-99H2,1-12H3,(H2,100,127)(H,107,134)(H,108,133)(H,109,144)(H,110,136)(H,111,138)(H,112,135)(H,113,140)(H,114,137)(H,115,146)(H,116,147)(H,117,145)(H,118,139)(H,119,128)(H,120,142)(H,121,141)(H,122,143)(H,129,130)(H,131,132)(H,148,149)(H4,101,102,105)(H4,103,104,106)/t51-,52-,53-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,76-,77-,78-,79-/m0/s1" . "N#CC1CCC2C1(C)CCC1C2CCC2C1(C)CCC(C2)O" . "N#C[C@H]1CCC2[C@]1(C)CCC1C2CC[C@H]2[C@]1(C)CC[C@@H](C2)O" . "DVTDUTYENPZLFP-FXEFULGUSA-N" . "InChI=1S/C20H31NO/c1-19-9-7-15(22)11-13(19)3-5-16-17-6-4-14(12-21)20(17,2)10-8-18(16)19/h13-18,22H,3-11H2,1-2H3/t13-,14-,15+,16?,17?,18?,19+,20-/m1/s1" . "CCCOc1cccc(c1)Oc1cc2n(C)c(=O)n(c2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCOCCOCCOCC(=O)NC(C(C)(C)C)C(=O)N1CC(CC1C(=O)NCc1ccc(cc1)c1scnc1C)O)C" . "CCCOc1cccc(c1)Oc1cc2n(C)c(=O)n(c2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCOCCOCCOCC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NCc1ccc(cc1)c1scnc1C)O)C" . "QUQTXFIMYFMULC-OGOZKGDESA-N" . "InChI=1S/C55H68N8O13S2/c1-8-20-75-40-12-10-13-41(28-40)76-47-30-45-44(61(6)54(69)62(45)7)29-43(47)60-78(70,71)42-14-9-11-38(26-42)51(66)56-19-21-72-22-23-73-24-25-74-33-48(65)59-50(55(3,4)5)53(68)63-32-39(64)27-46(63)52(67)57-31-36-15-17-37(18-16-36)49-35(2)58-34-77-49/h9-18,26,28-30,34,39,46,50,60,64H,8,19-25,27,31-33H2,1-7H3,(H,56,66)(H,57,67)(H,59,65)/t39-,46+,50-/m1/s1" . "OCC1OC2SC(=NCC)NC2C(C1O)O" . "OC[C@H]1O[C@@H]2SC(=NCC)N[C@@H]2[C@H]([C@@H]1O)O" . "PPAIMZHKIXDJRN-FMDGEEDCSA-N" . "InChI=1S/C9H16N2O4S/c1-2-10-9-11-5-7(14)6(13)4(3-12)15-8(5)16-9/h4-8,12-14H,2-3H2,1H3,(H,10,11)/t4-,5-,6-,7-,8-/m1/s1" . "O=C(CNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCCCCCN1CCN(CC1)C(=O)c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1ccc(cc1)C(C)(C)C" . "O=C(CNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCCCCCN1CCN(CC1)C(=O)c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1ccc(cc1)C(C)(C)C" . "QBPVFCNYKUENHU-UHFFFAOYSA-N" . "InChI=1S/C55H62N10O8/c1-34-39(12-10-14-41(34)60-49(68)35-16-20-37(21-17-35)55(2,3)4)43-33-62(5)54(73)48(59-43)58-38-22-18-36(19-23-38)51(70)64-30-28-63(29-31-64)27-9-7-6-8-26-56-46(67)32-57-42-15-11-13-40-47(42)53(72)65(52(40)71)44-24-25-45(66)61-50(44)69/h10-23,33,44,57H,6-9,24-32H2,1-5H3,(H,56,67)(H,58,59)(H,60,68)(H,61,66,69)" . "O=C(COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCCCCCCCNC(=O)CC1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C" . "O=C(COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCCCCCCCNC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C" . "JGQPZPLJOBHHBK-UFXYQILXSA-N" . "InChI=1S/C42H45ClN8O7S/c1-23-24(2)59-42-35(23)37(26-13-15-27(43)16-14-26)46-29(38-49-48-25(3)50(38)42)21-33(53)44-19-8-6-4-5-7-9-20-45-34(54)22-58-31-12-10-11-28-36(31)41(57)51(40(28)56)30-17-18-32(52)47-39(30)55/h10-16,29-30H,4-9,17-22H2,1-3H3,(H,44,53)(H,45,54)(H,47,52,55)/t29-,30?/m0/s1" . "CCC(C(=O)N1CCCCC1C(=O)OC(c1ccccc1OCC(=O)NCCCCCCOc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)CCc1ccc(c(c1)OC)OC)c1cc(OC)c(c(c1)OC)OC" . "CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@@H](c1ccccc1OCC(=O)NCCCCCCOc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)CCc1ccc(c(c1)OC)OC)c1cc(OC)c(c(c1)OC)OC" . "BJFBRLAWLPZOMJ-QHVFGHLPSA-N" . "InChI=1S/C57H68N4O15/c1-7-37(36-32-47(71-4)52(73-6)48(33-36)72-5)54(65)60-29-14-12-19-41(60)57(68)76-43(25-22-35-23-26-44(69-2)46(31-35)70-3)38-17-10-11-20-42(38)75-34-50(63)58-28-13-8-9-15-30-74-45-21-16-18-39-51(45)56(67)61(55(39)66)40-24-27-49(62)59-53(40)64/h10-11,16-18,20-21,23,26,31-33,37,40-41,43H,7-9,12-15,19,22,24-25,27-30,34H2,1-6H3,(H,58,63)(H,59,62,64)/t37-,40?,41-,43+/m0/s1" . "O=C(COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCOCCOCCOCCN1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n(C1CCCC1)c(=O)c(c2C)C(=O)C" . "O=C(COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCOCCOCCOCCN1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n(C1CCCC1)c(=O)c(c2C)C(=O)C" . "LUHCYAOYQIFNRN-UHFFFAOYSA-N" . "InChI=1S/C47H56N10O11/c1-29-34-27-50-47(53-42(34)56(31-6-3-4-7-31)45(63)40(29)30(2)58)51-37-12-10-32(26-49-37)55-17-15-54(16-18-55)19-21-66-23-25-67-24-22-65-20-14-48-39(60)28-68-36-9-5-8-33-41(36)46(64)57(44(33)62)35-11-13-38(59)52-43(35)61/h5,8-10,12,26-27,31,35H,3-4,6-7,11,13-25,28H2,1-2H3,(H,48,60)(H,52,59,61)(H,49,50,51,53)" . "O=C(COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCCCN1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n(C1CCCC1)c(c2)C(=O)N(C)C" . "O=C(COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCCCN1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n(C1CCCC1)c(c2)C(=O)N(C)C" . "GWLSXEHHNOBFOI-UHFFFAOYSA-N" . "InChI=1S/C42H49N11O7/c1-49(2)40(58)31-22-26-23-45-42(48-37(26)52(31)27-8-3-4-9-27)46-33-14-12-28(24-44-33)51-20-18-50(19-21-51)17-6-5-16-43-35(55)25-60-32-11-7-10-29-36(32)41(59)53(39(29)57)30-13-15-34(54)47-38(30)56/h7,10-12,14,22-24,27,30H,3-6,8-9,13,15-21,25H2,1-2H3,(H,43,55)(H,47,54,56)(H,44,45,46,48)" . "O=C(COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCCCN1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n(C1CCCC1)c(=O)c(c2C)C(=O)C" . "O=C(COc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCCCN1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n(C1CCCC1)c(=O)c(c2C)C(=O)C" . "KDMOCOWXLQOXEB-UHFFFAOYSA-N" . "InChI=1S/C43H48N10O8/c1-25-30-23-46-43(49-38(30)52(27-8-3-4-9-27)41(59)36(25)26(2)54)47-33-14-12-28(22-45-33)51-20-18-50(19-21-51)17-6-5-16-44-35(56)24-61-32-11-7-10-29-37(32)42(60)53(40(29)58)31-13-15-34(55)48-39(31)57/h7,10-12,14,22-23,27,31H,3-6,8-9,13,15-21,24H2,1-2H3,(H,44,56)(H,48,55,57)(H,45,46,47,49)" . "O=C(Nc1ccc2c(c1)cccc2)Nc1cc(O)cc(c1)c1cccs1" . "O=C(Nc1ccc2c(c1)cccc2)Nc1cc(O)cc(c1)c1cccs1" . "OBTSACXGWYGCPK-UHFFFAOYSA-N" . "InChI=1S/C21H16N2O2S/c24-19-12-16(20-6-3-9-26-20)11-18(13-19)23-21(25)22-17-8-7-14-4-1-2-5-15(14)10-17/h1-13,24H,(H2,22,23,25)" . "CCCCCc1cccc(c1)CC(=O)O" . "CCCCCc1cccc(c1)CC(=O)O" . "PEGQOIGYZLJMIB-UHFFFAOYSA-N" . "InChI=1S/C13H18O2/c1-2-3-4-6-11-7-5-8-12(9-11)10-13(14)15/h5,7-9H,2-4,6,10H2,1H3,(H,14,15)" . "O=C(CNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCOCCOCCN1CCC(CC1)c1cc(OC(C)C)c(cc1C)Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl" . "O=C(CNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCOCCOCCN1CCC(CC1)c1cc(OC(C)C)c(cc1C)Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl" . "XIRQUXILNXIWDI-UHFFFAOYSA-N" . "InChI=1S/C49H60ClN9O10S/c1-29(2)69-40-26-34(31(5)25-38(40)55-49-53-27-35(50)45(57-49)54-36-10-6-7-12-41(36)70(65,66)30(3)4)32-15-18-58(19-16-32)20-22-68-24-23-67-21-17-51-43(61)28-52-37-11-8-9-33-44(37)48(64)59(47(33)63)39-13-14-42(60)56-46(39)62/h6-12,25-27,29-30,32,39,52H,13-24,28H2,1-5H3,(H,51,61)(H,56,60,62)(H2,53,54,55,57)" . "Fc1ccc(cc1)S(=O)(=O)C12CCN(C1CCc1c2ccc(c1)C(C(F)(F)F)(C(F)(F)F)F)C(=O)C1(O)CCS(=O)(=O)CC1" . "Fc1ccc(cc1)S(=O)(=O)[C@@]12CCN([C@@H]1CCc1c2ccc(c1)C(C(F)(F)F)(C(F)(F)F)F)C(=O)C1(O)CCS(=O)(=O)CC1" . "ONXFNBOZJKXCNC-ZJSXRUAMSA-N" . "InChI=1S/C27H25F8NO6S2/c28-18-3-5-19(6-4-18)44(41,42)24-9-12-36(22(37)23(38)10-13-43(39,40)14-11-23)21(24)8-1-16-15-17(2-7-20(16)24)25(29,26(30,31)32)27(33,34)35/h2-7,15,21,38H,1,8-14H2/t21-,24-/m1/s1" . "N#CCC1CCC(CC1)n1c(=O)[nH]c2c1nc(nc2)Nc1ccc[nH]c1=O" . "N#CC[C@@H]1CC[C@H](CC1)n1c(=O)[nH]c2c1nc(nc2)Nc1ccc[nH]c1=O" . "NIIBPFADTOPKBI-HAQNSBGRSA-N" . "InChI=1S/C18H19N7O2/c19-8-7-11-3-5-12(6-4-11)25-15-14(23-18(25)27)10-21-17(24-15)22-13-2-1-9-20-16(13)26/h1-2,9-12H,3-7H2,(H,20,26)(H,23,27)(H,21,22,24)/t11-,12-" . "OC1CC(N(C1)C(=O)C(C(C)(C)C)NC(=O)CCCCCCC(=O)N1CCN(CC1)c1nc(C)nc(c1)Nc1ncc(s1)C(=O)Nc1c(C)cccc1Cl)C(=O)NCc1ccc(cc1)c1scnc1C" . "O[C@@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCC(=O)N1CCN(CC1)c1nc(C)nc(c1)Nc1ncc(s1)C(=O)Nc1c(C)cccc1Cl)C(=O)NCc1ccc(cc1)c1scnc1C" . "YGQREOJIRFCRKQ-ZIBKGDFVSA-N" . "InChI=1S/C50H62ClN11O6S2/c1-30-12-11-13-36(51)43(30)59-47(67)38-27-53-49(70-38)57-39-25-40(56-32(3)55-39)60-20-22-61(23-21-60)42(65)15-10-8-7-9-14-41(64)58-45(50(4,5)6)48(68)62-28-35(63)24-37(62)46(66)52-26-33-16-18-34(19-17-33)44-31(2)54-29-69-44/h11-13,16-19,25,27,29,35,37,45,63H,7-10,14-15,20-24,26,28H2,1-6H3,(H,52,66)(H,58,64)(H,59,67)(H,53,55,56,57)/t35-,37+,45-/m1/s1" . "COC(=O)C=CC(=O)OCCN1C(=O)CCC1=O" . "COC(=O)/C=C/C(=O)OCCN1C(=O)CCC1=O" . "YIMYDTCOUQIDMT-SNAWJCMRSA-N" . "InChI=1S/C11H13NO6/c1-17-10(15)4-5-11(16)18-7-6-12-8(13)2-3-9(12)14/h4-5H,2-3,6-7H2,1H3/b5-4+" . "CN1CCN(CC1)c1nnc(c(c1)c1ccncc1)c1ccc2c(c1)cccc2" . "CN1CCN(CC1)c1nnc(c(c1)c1ccncc1)c1ccc2c(c1)cccc2" . "CIIVUDIZZJLXCN-UHFFFAOYSA-N" . "InChI=1S/C24H23N5/c1-28-12-14-29(15-13-28)23-17-22(19-8-10-25-11-9-19)24(27-26-23)21-7-6-18-4-2-3-5-20(18)16-21/h2-11,16-17H,12-15H2,1H3" . "O=C(NC1CC(=O)NC1=O)C=Cc1ccccc1" . "O=C(NC1CC(=O)NC1=O)/C=C/c1ccccc1" . "NSEUGMATEWSNTO-VOTSOKGWSA-N" . "InChI=1S/C13H12N2O3/c16-11(7-6-9-4-2-1-3-5-9)14-10-8-12(17)15-13(10)18/h1-7,10H,8H2,(H,14,16)(H,15,17,18)/b7-6+" . "O=C1CCC(C(=O)N1)n1c(C)nc2c(c1=O)c(N)ccc2" . "O=C1CCC(C(=O)N1)n1c(C)nc2c(c1=O)c(N)ccc2" . "RSNPAKAFCAAMBH-UHFFFAOYSA-N" . "InChI=1S/C14H14N4O3/c1-7-16-9-4-2-3-8(15)12(9)14(21)18(7)10-5-6-11(19)17-13(10)20/h2-4,10H,5-6,15H2,1H3,(H,17,19,20)" . "Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(=NS(=O)(=O)c1ccc(cc1)Cl)N=C(N)C" . "Clc1ccc(cc1)C1=NN(C[C@@H]1c1ccccc1)/C(=N/S(=O)(=O)c1ccc(cc1)Cl)/N=C(/N)/C" . "GZPQTZIUWCQXCF-JOCHJYFZSA-N" . "InChI=1S/C24H21Cl2N5O2S/c1-16(27)28-24(30-34(32,33)21-13-11-20(26)12-14-21)31-15-22(17-5-3-2-4-6-17)23(29-31)18-7-9-19(25)10-8-18/h2-14,22H,15H2,1H3,(H2,27,28,30)/t22-/m1/s1" . "C#CCOc1ncc(nc1)C(=O)Nc1cc(F)c(c(c1)C1(C)N=C(N)SC2(C1C2)COC)F" . "C#CCOc1ncc(nc1)C(=O)Nc1cc(F)c(c(c1)[C@@]1(C)N=C(N)S[C@@]2([C@H]1C2)COC)F" . "IPUJINDWAGRAHN-KNXBSLHKSA-N" . "InChI=1S/C22H21F2N5O3S/c1-4-5-32-17-10-26-15(9-27-17)19(30)28-12-6-13(18(24)14(23)7-12)21(2)16-8-22(16,11-31-3)33-20(25)29-21/h1,6-7,9-10,16H,5,8,11H2,2-3H3,(H2,25,29)(H,28,30)/t16-,21+,22+/m0/s1" . "CN1CCN(CC1)Cc1ccc(cc1)c1cccc(c1)C(=O)Nc1ccccc1CC(=O)O" . "CN1CCN(CC1)Cc1ccc(cc1)c1cccc(c1)C(=O)Nc1ccccc1CC(=O)O" . "UTWXDNZWMQAUKL-UHFFFAOYSA-N" . "InChI=1S/C27H29N3O3/c1-29-13-15-30(16-14-29)19-20-9-11-21(12-10-20)22-6-4-7-24(17-22)27(33)28-25-8-3-2-5-23(25)18-26(31)32/h2-12,17H,13-16,18-19H2,1H3,(H,28,33)(H,31,32)" . "Oc1cc(C)c(c(c1)C)CC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)C(C)C)C(C)C)N" . "Oc1cc(C)c(c(c1)C)C[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N)Cc1ccccc1)C(C)C)C(C)C)N" . "IYNDNOATOVLHNV-POTDNYQPSA-N" . "InChI=1S/C30H43N5O5/c1-16(2)25(29(39)33-24(27(32)37)14-20-10-8-7-9-11-20)35-30(40)26(17(3)4)34-28(38)23(31)15-22-18(5)12-21(36)13-19(22)6/h7-13,16-17,23-26,36H,14-15,31H2,1-6H3,(H2,32,37)(H,33,39)(H,34,38)(H,35,40)/t23-,24-,25-,26+/m1/s1" . "Nc1ccc(nc1)Oc1ccc(cc1)C(C)(C)C" . "Nc1ccc(nc1)Oc1ccc(cc1)C(C)(C)C" . "WHIWGRCYMQLLAO-UHFFFAOYSA-N" . "InChI=1S/C15H18N2O/c1-15(2,3)11-4-7-13(8-5-11)18-14-9-6-12(16)10-17-14/h4-10H,16H2,1-3H3" . "Clc1ccc2c(c1)nccc2Nc1ccc(c(c1)O)CNC(C)(C)C" . "Clc1ccc2c(c1)nccc2Nc1ccc(c(c1)O)CNC(C)(C)C" . "ZVMMVSSEAMUNGI-UHFFFAOYSA-N" . "InChI=1S/C20H22ClN3O/c1-20(2,3)23-12-13-4-6-15(11-19(13)25)24-17-8-9-22-18-10-14(21)5-7-16(17)18/h4-11,23,25H,12H2,1-3H3,(H,22,24)" . "CN(c1ccc2c(c1)c(=O)n(c(=O)n2C)c1ccc(cc1)CC(C(=O)O)NC(=O)c1c(Cl)cccc1Cl)C" . "CN(c1ccc2c(c1)c(=O)n(c(=O)n2C)c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)c1c(Cl)cccc1Cl)C" . "YQKBOUPIOWUMTE-NRFANRHFSA-N" . "InChI=1S/C27H24Cl2N4O5/c1-31(2)17-11-12-22-18(14-17)25(35)33(27(38)32(22)3)16-9-7-15(8-10-16)13-21(26(36)37)30-24(34)23-19(28)5-4-6-20(23)29/h4-12,14,21H,13H2,1-3H3,(H,30,34)(H,36,37)/t21-/m0/s1" . "CCNC1=NC2C(S1)OC(C(C2O)O)C(F)F" . "CCNC1=N[C@H]2[C@@H](S1)O[C@@H]([C@H]([C@@H]2O)O)C(F)F" . "UDQTXCHQKHIQMH-KYGLGHNPSA-N" . "InChI=1S/C9H14F2N2O3S/c1-2-12-9-13-3-4(14)5(15)6(7(10)11)16-8(3)17-9/h3-8,14-15H,2H2,1H3,(H,12,13)/t3-,4-,5+,6+,8-/m1/s1" . "OCC1Cc2c(cccc2C(N1C(=O)Cc1c(Cl)cccc1Cl)C)CCC(O)(C)C" . "OC[C@H]1Cc2c(cccc2[C@@H](N1C(=O)Cc1c(Cl)cccc1Cl)C)CCC(O)(C)C" . "XHCSBQBBGNQINS-DOTOQJQBSA-N" . "InChI=1S/C24H29Cl2NO3/c1-15-18-7-4-6-16(10-11-24(2,3)30)19(18)12-17(14-28)27(15)23(29)13-20-21(25)8-5-9-22(20)26/h4-9,15,17,28,30H,10-14H2,1-3H3/t15-,17+/m0/s1" . "CN1C(=O)CCC1C(=O)NCc1cccc(c1Cl)C(F)(F)F" . "CN1C(=O)CC[C@H]1C(=O)NCc1cccc(c1Cl)C(F)(F)F" . "BJEMSIVBBUBXMZ-JTQLQIEISA-N" . "InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1" . "O=C(C1CCC(=O)N1C)NCc1ccc(cc1Cl)Cl" . "O=C([C@@H]1CCC(=O)N1C)NCc1ccc(cc1Cl)Cl" . "YMNOJCVLDDTECB-NSHDSACASA-N" . "InChI=1S/C13H14Cl2N2O2/c1-17-11(4-5-12(17)18)13(19)16-7-8-2-3-9(14)6-10(8)15/h2-3,6,11H,4-5,7H2,1H3,(H,16,19)/t11-/m0/s1" . "O=C(C1CCC(=O)N1c1cccs1)NCc1ccc(cc1Cl)Cl" . "O=C([C@@H]1CCC(=O)N1c1cccs1)NCc1ccc(cc1Cl)Cl" . "PCHSDJRKGJKOAG-ZDUSSCGKSA-N" . "InChI=1S/C16H14Cl2N2O2S/c17-11-4-3-10(12(18)8-11)9-19-16(22)13-5-6-14(21)20(13)15-2-1-7-23-15/h1-4,7-8,13H,5-6,9H2,(H,19,22)/t13-/m0/s1" . "COc1ncc(cc1NS(=O)(=O)c1ccc(cc1F)F)c1ccc(s1)c1cnc2c(c1)CN(C2=O)C" . "COc1ncc(cc1NS(=O)(=O)c1ccc(cc1F)F)c1ccc(s1)c1cnc2c(c1)CN(C2=O)C" . "ZYYGNLSPUWSHQW-UHFFFAOYSA-N" . "InChI=1S/C24H18F2N4O4S2/c1-30-12-15-7-13(10-27-22(15)24(30)31)19-4-5-20(35-19)14-8-18(23(34-2)28-11-14)29-36(32,33)21-6-3-16(25)9-17(21)26/h3-11,29H,12H2,1-2H3" . "NC(=O)Cn1c(C(=O)N2CCOCC2)c(c2c1cccc2)CN1CCC(CC1)c1c(F)cccc1Cl" . "NC(=O)Cn1c(C(=O)N2CCOCC2)c(c2c1cccc2)CN1CCC(CC1)c1c(F)cccc1Cl" . "YEDOPHDWRSVQOP-UHFFFAOYSA-N" . "InChI=1S/C27H30ClFN4O3/c28-21-5-3-6-22(29)25(21)18-8-10-31(11-9-18)16-20-19-4-1-2-7-23(19)33(17-24(30)34)26(20)27(35)32-12-14-36-15-13-32/h1-7,18H,8-17H2,(H2,30,34)" . "OCC1=C(CCN(C1)CC1CCCCCCC1)n1c(=O)n(c2c1cccc2)CC" . "OCC1=C(CCN(C1)CC1CCCCCCC1)n1c(=O)n(c2c1cccc2)CC" . "DCRGHMJXEBSRQG-UHFFFAOYSA-N" . "InChI=1S/C24H35N3O2/c1-2-26-22-12-8-9-13-23(22)27(24(26)29)21-14-15-25(17-20(21)18-28)16-19-10-6-4-3-5-7-11-19/h8-9,12-13,19,28H,2-7,10-11,14-18H2,1H3" . "NCc1ccc(cc1c1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)OC)C(=O)Nc1ccncc1F" . "NCc1ccc(cc1c1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)OC)C(=O)Nc1ccncc1F" . "MXWDBTLNBKIMEX-UHFFFAOYSA-N" . "InChI=1S/C28H23FN4O4/c1-37-28(36)17-7-9-22(10-8-17)32-26(34)19-4-2-3-18(13-19)23-14-20(5-6-21(23)15-30)27(35)33-25-11-12-31-16-24(25)29/h2-14,16H,15,30H2,1H3,(H,32,34)(H,31,33,35)" . "N#Cc1ccc(cc1)NC(=O)Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)Nc1ccc(cc1)C#N" . "N#Cc1ccc(cc1)NC(=O)Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)Nc1ccc(cc1)C#N" . "NKTXGJQCHFJKQJ-UHFFFAOYSA-N" . "InChI=1S/C28H20N6O3/c29-17-19-1-5-21(6-2-19)31-27(35)33-23-9-13-25(14-10-23)37-26-15-11-24(12-16-26)34-28(36)32-22-7-3-20(18-30)4-8-22/h1-16H,(H2,31,33,35)(H2,32,34,36)" . "OC(=O)CC(c1cccc(c1)C1CC1)Nc1ccc(cn1)OCCc1ccc2c(n1)NCCC2" . "OC(=O)CC(c1cccc(c1)C1CC1)Nc1ccc(cn1)OCCc1ccc2c(n1)NCCC2" . "APVMUACUMAKXLA-UHFFFAOYSA-N" . "InChI=1S/C27H30N4O3/c32-26(33)16-24(21-4-1-3-20(15-21)18-6-7-18)31-25-11-10-23(17-29-25)34-14-12-22-9-8-19-5-2-13-28-27(19)30-22/h1,3-4,8-11,15,17-18,24H,2,5-7,12-14,16H2,(H,28,30)(H,29,31)(H,32,33)" . "CCC(C(O)C)Nc1nc(NCc2cnc(cc2C)C)c2c(n1)n(cn2)C(C)C" . "CC[C@@H]([C@H](O)C)Nc1nc(NCc2cnc(cc2C)C)c2c(n1)n(cn2)C(C)C" . "DLPIYBKBHMZCJI-WBVHZDCISA-N" . "InChI=1S/C21H31N7O/c1-7-17(15(6)29)25-21-26-19(18-20(27-21)28(11-24-18)12(2)3)23-10-16-9-22-14(5)8-13(16)4/h8-9,11-12,15,17,29H,7,10H2,1-6H3,(H2,23,25,26,27)/t15-,17+/m1/s1" . "OC1CNC(=NC1)Nc1cc(O)cc(c1)C(=O)NCC(=O)NC(c1cc(Br)cc(c1)C(C)(C)C)CC(=O)O" . "OC1CNC(=NC1)Nc1cc(O)cc(c1)C(=O)NCC(=O)N[C@H](c1cc(Br)cc(c1)C(C)(C)C)CC(=O)O" . "YDHAGPCZRFQPOI-NRFANRHFSA-N" . "InChI=1S/C26H32BrN5O6/c1-26(2,3)16-4-14(5-17(27)8-16)21(10-23(36)37)32-22(35)13-28-24(38)15-6-18(9-19(33)7-15)31-25-29-11-20(34)12-30-25/h4-9,20-21,33-34H,10-13H2,1-3H3,(H,28,38)(H,32,35)(H,36,37)(H2,29,30,31)/t21-/m0/s1" . "OC(=O)CCCc1oc(c(n1)c1ccc(c(c1)Cl)Cl)c1ccccc1" . "OC(=O)CCCc1oc(c(n1)c1ccc(c(c1)Cl)Cl)c1ccccc1" . "UIADWSXPNFQQCZ-UHFFFAOYSA-N" . "InChI=1S/C19H15Cl2NO3/c20-14-10-9-13(11-15(14)21)18-19(12-5-2-1-3-6-12)25-16(22-18)7-4-8-17(23)24/h1-3,5-6,9-11H,4,7-8H2,(H,23,24)" . "NCc1c(O)cc(cc1C(C)(C)C)C(C)(C)C" . "NCc1c(O)cc(cc1C(C)(C)C)C(C)(C)C" . "ZUSLEOOZAITYGH-UHFFFAOYSA-N" . "InChI=1S/C15H25NO/c1-14(2,3)10-7-12(15(4,5)6)11(9-16)13(17)8-10/h7-8,17H,9,16H2,1-6H3" . "CNC(=O)CCc1nn(c(c1)c1ccc(cc1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)NC(=O)C#C" . "CNC(=O)CCc1nn(c(c1)c1ccc(cc1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)NC(=O)C#C" . "UOGAVVINOTWELT-UHFFFAOYSA-N" . "InChI=1S/C29H23F3N4O2/c1-3-27(37)34-23-12-15-25(16-13-23)36-26(18-24(35-36)14-17-28(38)33-2)21-6-4-19(5-7-21)20-8-10-22(11-9-20)29(30,31)32/h1,4-13,15-16,18H,14,17H2,2H3,(H,33,38)(H,34,37)" . "ONC(=O)c1noc(c1)CCNC(=O)c1ccc(c(c1)Cl)Cl" . "ONC(=O)c1noc(c1)CCNC(=O)c1ccc(c(c1)Cl)Cl" . "JFGOILLZIAIYGA-UHFFFAOYSA-N" . "InChI=1S/C13H11Cl2N3O4/c14-9-2-1-7(5-10(9)15)12(19)16-4-3-8-6-11(18-22-8)13(20)17-21/h1-2,5-6,21H,3-4H2,(H,16,19)(H,17,20)" . "OC(=O)C=Cc1cc(Br)c(c(c1Br)Br)Br" . "OC(=O)/C=C/c1cc(Br)c(c(c1Br)Br)Br" . "SVJQCVOKYJWUBC-OWOJBTEDSA-N" . "InChI=1S/C9H4Br4O2/c10-5-3-4(1-2-6(14)15)7(11)9(13)8(5)12/h1-3H,(H,14,15)/b2-1+" . "Nc1ncc(nc1)c1nc(N2CCOCC2C)c2c(n1)N1CCOCC1C2" . "Nc1ncc(nc1)c1nc(N2CCOC[C@H]2C)c2c(n1)N1CCOC[C@H]1C2" . "KUZSBKJSGSKPJH-VXGBXAGGSA-N" . "InChI=1S/C18H23N7O2/c1-11-9-26-4-2-24(11)17-13-6-12-10-27-5-3-25(12)18(13)23-16(22-17)14-7-21-15(19)8-20-14/h7-8,11-12H,2-6,9-10H2,1H3,(H2,19,21)/t11-,12-/m1/s1" . "CCCCC1CCCN1C(=O)C1CCCC(C1)c1cccc(c1)n1ncc(c1C1CC1)C(=O)O" . "CCCCC1CCCN1C(=O)[C@@H]1CCC[C@@H](C1)c1cccc(c1)n1ncc(c1C1CC1)C(=O)O" . "UHBPMQISVQNVGD-PDOMDSBESA-N" . "InChI=1S/C28H37N3O3/c1-2-3-10-23-12-6-15-30(23)27(32)22-9-4-7-20(16-22)21-8-5-11-24(17-21)31-26(19-13-14-19)25(18-29-31)28(33)34/h5,8,11,17-20,22-23H,2-4,6-7,9-10,12-16H2,1H3,(H,33,34)/t20-,22+,23?/m0/s1" . "OC(=O)C1CCN(C1)c1ccc(c2c1cccc2)NS(=O)(=O)c1c(C)c(C)cc(c1C)C" . "OC(=O)[C@H]1CCN(C1)c1ccc(c2c1cccc2)NS(=O)(=O)c1c(C)c(C)cc(c1C)C" . "BVYWIQHJXAEJOD-IBGZPJMESA-N" . "InChI=1S/C25H28N2O4S/c1-15-13-16(2)18(4)24(17(15)3)32(30,31)26-22-9-10-23(21-8-6-5-7-20(21)22)27-12-11-19(14-27)25(28)29/h5-10,13,19,26H,11-12,14H2,1-4H3,(H,28,29)/t19-/m0/s1" . "CCc1cc(cc(c1)S(=O)(=O)c1cnc(s1)CN)c1cnn(c1)C" . "CCc1cc(cc(c1)S(=O)(=O)c1cnc(s1)CN)c1cnn(c1)C" . "VIYHDQCOPYIJMF-UHFFFAOYSA-N" . "InChI=1S/C16H18N4O2S2/c1-3-11-4-12(13-8-19-20(2)10-13)6-14(5-11)24(21,22)16-9-18-15(7-17)23-16/h4-6,8-10H,3,7,17H2,1-2H3" . "NCc1ccc(s1)S(=O)(=O)c1cc(cc(c1)S(=O)(=O)C)c1ccccc1" . "NCc1ccc(s1)S(=O)(=O)c1cc(cc(c1)S(=O)(=O)C)c1ccccc1" . "ADIBEGOVRYXDOX-UHFFFAOYSA-N" . "InChI=1S/C18H17NO4S3/c1-25(20,21)16-9-14(13-5-3-2-4-6-13)10-17(11-16)26(22,23)18-8-7-15(12-19)24-18/h2-11H,12,19H2,1H3" . "CCCCCCC1=C(c2ccccc2)C2(C(C1)C(O)CC2)C(=C)c1ccccc1" . "CCCCCCC1=C(c2ccccc2)[C@]2(C(C1)[C@H](O)CC2)C(=C)c1ccccc1" . "ZFXMYHPLTQTTFW-XZSHQJGLSA-N" . "InChI=1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25?,26-,28+/m1/s1" . "CCCCCCC1=C(c2ccccc2)C2(C(C1)C(CC2)NS(=O)(=O)N)C(=C)c1ccccc1" . "CCCCCCC1=C(c2ccccc2)[C@]2(C(C1)[C@H](CC2)NS(=O)(=O)N)C(=C)c1ccccc1" . "COQCBADNBTZWQG-KKGVWULHSA-N" . "InChI=1S/C28H36N2O2S/c1-3-4-5-8-17-24-20-25-26(30-33(29,31)32)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,30H,2-5,8,17-20H2,1H3,(H2,29,31,32)/t25?,26-,28-/m0/s1" . "COc1ccccc1S(=O)(=O)Nc1ccc(cc1Oc1ccc2c(c1)ccnc2N)C" . "COc1ccccc1S(=O)(=O)Nc1ccc(cc1Oc1ccc2c(c1)ccnc2N)C" . "BWEJNHRMGZUMNU-UHFFFAOYSA-N" . "InChI=1S/C23H21N3O4S/c1-15-7-10-19(26-31(27,28)22-6-4-3-5-20(22)29-2)21(13-15)30-17-8-9-18-16(14-17)11-12-25-23(18)24/h3-14,26H,1-2H3,(H2,24,25)" . "Cc1ccc2c(c1C#Cc1cnc3n1nccc3)onc2Nc1cccc(c1)C(F)(F)F" . "Cc1ccc2c(c1C#Cc1cnc3n1nccc3)onc2Nc1cccc(c1)C(F)(F)F" . "GDBAAUWGHRTFSE-UHFFFAOYSA-N" . "InChI=1S/C23H14F3N5O/c1-14-7-9-19-21(18(14)10-8-17-13-27-20-6-3-11-28-31(17)20)32-30-22(19)29-16-5-2-4-15(12-16)23(24,25)26/h2-7,9,11-13H,1H3,(H,29,30)" . "CNCc1ccccc1c1csc(c1)C(Nc1nc(C)nc2c1cc(OC)c(c2)OC)C" . "CNCc1ccccc1c1csc(c1)[C@H](Nc1nc(C)nc2c1cc(OC)c(c2)OC)C" . "WEGLOYDTDILXDA-OAHLLOKOSA-N" . "InChI=1S/C25H28N4O2S/c1-15(24-10-18(14-32-24)19-9-7-6-8-17(19)13-26-3)27-25-20-11-22(30-4)23(31-5)12-21(20)28-16(2)29-25/h6-12,14-15,26H,13H2,1-5H3,(H,27,28,29)/t15-/m1/s1" . "COc1nc(cnc1C(=O)C1CC1C(=O)O)N(c1cc(Cl)c(cc1F)F)CC(F)(C)C" . "COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(=O)O)N(c1cc(Cl)c(cc1F)F)CC(F)(C)C" . "RVMWIVNHZMXEHS-UWVGGRQHSA-N" . "InChI=1S/C20H19ClF3N3O4/c1-20(2,24)8-27(14-5-11(21)12(22)6-13(14)23)15-7-25-16(18(26-15)31-3)17(28)9-4-10(9)19(29)30/h5-7,9-10H,4,8H2,1-3H3,(H,29,30)/t9-,10-/m0/s1" . "Nc1nc(nn1c1nnc2c(c1)CCCc1c2cccc1)Nc1ccc2c(c1)CCC(CC2)N1CCCC1" . "Nc1nc(nn1c1nnc2c(c1)CCCc1c2cccc1)Nc1ccc2c(c1)CC[C@H](CC2)N1CCCC1" . "KXMZDGSRSGHMMK-VWLOTQADSA-N" . "InChI=1S/C30H34N8/c31-29-33-30(32-24-13-10-20-11-14-25(15-12-22(20)18-24)37-16-3-4-17-37)36-38(29)27-19-23-8-5-7-21-6-1-2-9-26(21)28(23)35-34-27/h1-2,6,9-10,13,18-19,25H,3-5,7-8,11-12,14-17H2,(H3,31,32,33,36)/t25-/m0/s1" . "Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O" . "Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O" . "FTVWIRXFELQLPI-UHFFFAOYSA-N" . "InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2" . "C=CC(=O)Nc1cc(Nc2nccc(n2)c2cn(c3c2cccc3)C)c(nc1N(CCN(C)C)C)OCC(F)(F)F" . "C=CC(=O)Nc1cc(Nc2nccc(n2)c2cn(c3c2cccc3)C)c(nc1N(CCN(C)C)C)OCC(F)(F)F" . "GHKOONMJXNWOIW-UHFFFAOYSA-N" . "InChI=1S/C28H31F3N8O2/c1-6-24(40)33-21-15-22(26(41-17-28(29,30)31)36-25(21)38(4)14-13-37(2)3)35-27-32-12-11-20(34-27)19-16-39(5)23-10-8-7-9-18(19)23/h6-12,15-16H,1,13-14,17H2,2-5H3,(H,33,40)(H,32,34,35)" . "CNC(=O)c1nccc(c1)COc1nnc(c2c1occ2)Nc1ccc(cc1)Cl" . "CNC(=O)c1nccc(c1)COc1nnc(c2c1occ2)Nc1ccc(cc1)Cl" . "QFCXANHHBCGMAS-UHFFFAOYSA-N" . "InChI=1S/C20H16ClN5O3/c1-22-19(27)16-10-12(6-8-23-16)11-29-20-17-15(7-9-28-17)18(25-26-20)24-14-4-2-13(21)3-5-14/h2-10H,11H2,1H3,(H,22,27)(H,24,25)" . "COc1ccc2c(c1)nccc2Oc1ccc2c(c1)cccc2C(=O)Nc1ccccc1N" . "COc1ccc2c(c1)nccc2Oc1ccc2c(c1)cccc2C(=O)Nc1ccccc1N" . "BRKWREZNORONDU-UHFFFAOYSA-N" . "InChI=1S/C27H21N3O3/c1-32-18-9-12-22-25(16-18)29-14-13-26(22)33-19-10-11-20-17(15-19)5-4-6-21(20)27(31)30-24-8-3-2-7-23(24)28/h2-16H,28H2,1H3,(H,30,31)" . "CC(NC(=O)C1CCC(CC1)n1c(NC(=O)c2ccc(cc2)F)nc2c1cc(cc2)CN1CCC(CC1)C(O)(C)C)C" . "CC(NC(=O)C1CCC(CC1)n1c(NC(=O)c2ccc(cc2)F)nc2c1cc(cc2)CN1CCC(CC1)C(O)(C)C)C" . "WSTUJEXAPHIEIM-UHFFFAOYSA-N" . "InChI=1S/C33H44FN5O3/c1-21(2)35-30(40)24-8-12-27(13-9-24)39-29-19-22(20-38-17-15-25(16-18-38)33(3,4)42)5-14-28(29)36-32(39)37-31(41)23-6-10-26(34)11-7-23/h5-7,10-11,14,19,21,24-25,27,42H,8-9,12-13,15-18,20H2,1-4H3,(H,35,40)(H,36,37,41)" . "O=C(c1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2)N1CCN(CC1)CC1CC1" . "O=C(c1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2)N1CCN(CC1)CC1CC1" . "XAYGBKHKBBXDAK-UHFFFAOYSA-N" . "InChI=1S/C24H26N4O3S/c29-24(28-15-13-27(14-16-28)17-18-6-7-18)20-8-10-21(11-9-20)26-32(30,31)22-5-1-3-19-4-2-12-25-23(19)22/h1-5,8-12,18,26H,6-7,13-17H2" . "O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C" . "O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C" . "GKNPSSNBBWDAGH-UHFFFAOYSA-N" . "InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1" . "C=CC(=O)Nc1cc(Nc2ncc(c(n2)c2cn(c3c2cccc3)C)C(=O)OC(C)C)c(cc1N(CCN(C)C)C)OC" . "C=CC(=O)Nc1cc(Nc2ncc(c(n2)c2cn(c3c2cccc3)C)C(=O)OC(C)C)c(cc1N(CCN(C)C)C)OC" . "AZSRSNUQCUDCGG-UHFFFAOYSA-N" . "InChI=1S/C32H39N7O4/c1-9-29(40)34-24-16-25(28(42-8)17-27(24)38(6)15-14-37(4)5)35-32-33-18-22(31(41)43-20(2)3)30(36-32)23-19-39(7)26-13-11-10-12-21(23)26/h9-13,16-20H,1,14-15H2,2-8H3,(H,34,40)(H,33,35,36)" . "CN(CC=CC(=O)Nc1ccc(nc1)C(=O)NC1(C)CCCC(C1)Nc1ncc(c(n1)c1c[nH]c2c1cccc2)Cl)C" . "CN(C/C=C/C(=O)Nc1ccc(nc1)C(=O)N[C@@]1(C)CCC[C@H](C1)Nc1ncc(c(n1)c1c[nH]c2c1cccc2)Cl)C" . "SCJNYBYSTCRPAO-LXBQGUBHSA-N" . "InChI=1S/C31H35ClN8O2/c1-31(39-29(42)26-13-12-21(17-33-26)36-27(41)11-7-15-40(2)3)14-6-8-20(16-31)37-30-35-19-24(32)28(38-30)23-18-34-25-10-5-4-9-22(23)25/h4-5,7,9-13,17-20,34H,6,8,14-16H2,1-3H3,(H,36,41)(H,39,42)(H,35,37,38)/b11-7+/t20-,31+/m1/s1" . "COc1ncc(cc1NS(=O)(=O)C)c1nc(nc2c1cc(F)cc2CN1CCC(CC1)C(O)(C)C)N1CCOCC1" . "COc1ncc(cc1NS(=O)(=O)C)c1nc(nc2c1cc(F)cc2CN1CCC(CC1)C(O)(C)C)N1CCOCC1" . "NVWKNQGHVMMAJW-UHFFFAOYSA-N" . "InChI=1S/C28H37FN6O5S/c1-28(2,36)20-5-7-34(8-6-20)17-19-13-21(29)15-22-24(31-27(32-25(19)22)35-9-11-40-12-10-35)18-14-23(33-41(4,37)38)26(39-3)30-16-18/h13-16,20,33,36H,5-12,17H2,1-4H3" . "FC1CCN(CC1)CCOc1ccc(cc1)C1CCC2(CC1)OOC1(OO2)C2CC3CC1CC(C2)C3" . "FC1CCN(CC1)CCOc1ccc(cc1)C1CCC2(CC1)OOC1(OO2)C2CC3CC1CC(C2)C3" . "RDWGXWFRQYUDIZ-UHFFFAOYSA-N" . "InChI=1S/C29H40FNO5/c30-26-7-11-31(12-8-26)13-14-32-27-3-1-22(2-4-27)23-5-9-28(10-6-23)33-35-29(36-34-28)24-16-20-15-21(18-24)19-25(29)17-20/h1-4,20-21,23-26H,5-19H2" . "C=CC(=O)N1CCCC(C1)c1ccc(c2c1cc[nH]2)C(=O)N" . "C=CC(=O)N1CCC[C@H](C1)c1ccc(c2c1cc[nH]2)C(=O)N" . "UNHZLHSLZZWMNP-LLVKDONJSA-N" . "InChI=1S/C17H19N3O2/c1-2-15(21)20-9-3-4-11(10-20)12-5-6-14(17(18)22)16-13(12)7-8-19-16/h2,5-8,11,19H,1,3-4,9-10H2,(H2,18,22)/t11-/m1/s1" . "CC1(C)CC(CC(C1)(C)C)c1ccccc1N1CCN(CC1)CC1CC1" . "CC1(C)CC(CC(C1)(C)C)c1ccccc1N1CCN(CC1)CC1CC1" . "PGWIKFFLIJECAM-UHFFFAOYSA-N" . "InChI=1S/C24H38N2/c1-23(2)15-20(16-24(3,4)18-23)21-7-5-6-8-22(21)26-13-11-25(12-14-26)17-19-9-10-19/h5-8,19-20H,9-18H2,1-4H3" . "CN1CCN(CC1)c1ncc(c(c1)c1ccccc1C)C(=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C" . "CN1CCN(CC1)c1ncc(c(c1)c1ccccc1C)C(=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C" . "HCNNJLLLMSVTFH-UHFFFAOYSA-N" . "InChI=1S/C28H28F6N4O/c1-18-6-4-5-7-22(18)23-15-25(38-10-8-36(2)9-11-38)35-16-24(23)26(39)37(3)17-19-12-20(27(29,30)31)14-21(13-19)28(32,33)34/h4-7,12-16H,8-11,17H2,1-3H3" . "CNC(=O)c1cc2c(ccnc2cc1OC)Oc1ccc(cc1F)NC(=S)NC(=O)Cc1ccccc1" . "CNC(=O)c1cc2c(ccnc2cc1OC)Oc1ccc(cc1F)NC(=S)NC(=O)Cc1ccccc1" . "ORRNXRYWGDUDOG-UHFFFAOYSA-N" . "InChI=1S/C27H23FN4O4S/c1-29-26(34)19-14-18-21(15-24(19)35-2)30-11-10-22(18)36-23-9-8-17(13-20(23)28)31-27(37)32-25(33)12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3,(H,29,34)(H2,31,32,33,37)" . "O=C(C1CC1(F)F)N1C2CCC1CN(C2)c1ccnc(n1)Nc1cnn(c1)C" . "O=C([C@@H]1CC1(F)F)N1[C@@H]2CC[C@H]1CN(C2)c1ccnc(n1)Nc1cnn(c1)C" . "BUWBRTXGQRBBHG-MJBXVCDLSA-N" . "InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1" . "N#CCCN1C2CCC1CC(C2)Nc1nc(Nc2n[nH]c(c2)C)cc2c1cccn2" . "N#CCCN1[C@@H]2CC[C@H]1CC(C2)Nc1nc(Nc2n[nH]c(c2)C)cc2c1cccn2" . "DADAEARVGOQWHV-ALOPSCKCSA-N" . "InChI=1S/C22H26N8/c1-14-10-21(29-28-14)26-20-13-19-18(4-2-8-24-19)22(27-20)25-15-11-16-5-6-17(12-15)30(16)9-3-7-23/h2,4,8,10,13,15-17H,3,5-6,9,11-12H2,1H3,(H3,25,26,27,28,29)/t15?,16-,17+" . "C=CC(=O)N(CCOc1c(N)ncnc1c1cc(F)cc(c1C)NC(=O)c1ccc(cc1F)C1CC1)C" . "C=CC(=O)N(CCOc1c(N)ncnc1c1cc(F)cc(c1C)NC(=O)c1ccc(cc1F)C1CC1)C" . "CUABMPOJOBCXJI-UHFFFAOYSA-N" . "InChI=1S/C27H27F2N5O3/c1-4-23(35)34(3)9-10-37-25-24(31-14-32-26(25)30)20-12-18(28)13-22(15(20)2)33-27(36)19-8-7-17(11-21(19)29)16-5-6-16/h4,7-8,11-14,16H,1,5-6,9-10H2,2-3H3,(H,33,36)(H2,30,31,32)" . "COc1cc2ncnc(c2cc1OC(=O)N1CCN(CC1C)C)Nc1cccc(c1F)Cl" . "COc1cc2ncnc(c2cc1OC(=O)N1CCN(C[C@H]1C)C)Nc1cccc(c1F)Cl" . "MXDSJQHFFDGFDK-CYBMUJFWSA-N" . "InChI=1S/C22H23ClFN5O3/c1-13-11-28(2)7-8-29(13)22(30)32-19-9-14-17(10-18(19)31-3)25-12-26-21(14)27-16-6-4-5-15(23)20(16)24/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H,25,26,27)/t13-/m1/s1" . "CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O" . "CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O" . "YJQZYXCXBBCEAQ-UHFFFAOYSA-N" . "InChI=1S/C18H23NO3/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22)15-6-10-17(21)11-7-15/h4-11,13,18-22H,2-3,12H2,1H3" . "CNCC1OCCc2c1scc2" . "CNC[C@@H]1OCCc2c1scc2" . "ABDDQTDRAHXHOC-QMMMGPOBSA-N" . "InChI=1S/C9H13NOS/c1-10-6-8-9-7(2-4-11-8)3-5-12-9/h3,5,8,10H,2,4,6H2,1H3/t8-/m0/s1" . "c1ccc(cc1)c1ncc2c(n1)ccc(c2)n1cncc1" . "c1ccc(cc1)c1ncc2c(n1)ccc(c2)n1cncc1" . "CSZGXYBGYFNSCO-UHFFFAOYSA-N" . "InChI=1S/C17H12N4/c1-2-4-13(5-3-1)17-19-11-14-10-15(6-7-16(14)20-17)21-9-8-18-12-21/h1-12H" . "CCc1cc(F)c2c(c1)c(C)c(c(n2)N1CCC(CC1)NC1CCOCC1)c1onc(n1)C" . "CCc1cc(F)c2c(c1)c(C)c(c(n2)N1CCC(CC1)NC1CCOCC1)c1onc(n1)C" . "CQOJHAJWCDJEAT-UHFFFAOYSA-N" . "InChI=1S/C25H32FN5O2/c1-4-17-13-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)14-17)31-9-5-18(6-10-31)28-19-7-11-32-12-8-19/h13-14,18-19,28H,4-12H2,1-3H3" . "OC(=O)Cc1ccc(cc1)Cc1cc(nc(c1)C(F)(F)F)c1cccc(c1)Cl" . "OC(=O)Cc1ccc(cc1)Cc1cc(nc(c1)C(F)(F)F)c1cccc(c1)Cl" . "LTSUMTMGJHPGFX-UHFFFAOYSA-N" . "InChI=1S/C21H15ClF3NO2/c22-17-3-1-2-16(12-17)18-9-15(10-19(26-18)21(23,24)25)8-13-4-6-14(7-5-13)11-20(27)28/h1-7,9-10,12H,8,11H2,(H,27,28)" . "[O-]C(=O)CC(c1cccc(c1)n1nc(cc1C)C)C[N+]1(C)CCC(C1)CCc1ccc2c(n1)NCCC2" . "[O-]C(=O)C[C@@H](c1cccc(c1)n1nc(cc1C)C)C[N@@+]1(C)CC[C@H](C1)CCc1ccc2c(n1)NCCC2" . "BXOSGYRJKCYDLH-YAYCEGLDSA-N" . "InChI=1S/C30H39N5O2/c1-21-16-22(2)34(33-21)28-8-4-6-25(17-28)26(18-29(36)37)20-35(3)15-13-23(19-35)9-11-27-12-10-24-7-5-14-31-30(24)32-27/h4,6,8,10,12,16-17,23,26H,5,7,9,11,13-15,18-20H2,1-3H3,(H-,31,32,36,37)/t23-,26-,35+/m1/s1" . "N#Cc1nccc(c1)COc1cc(OCc2cccc(c2Br)c2ccccc2)c(cc1CN1CCCCC1C(=O)O)Cl" . "N#Cc1nccc(c1)COc1cc(OCc2cccc(c2Br)c2ccccc2)c(cc1CN1CCCC[C@H]1C(=O)O)Cl" . "YYAPLXNCTNGBJO-LJAQVGFWSA-N" . "InChI=1S/C33H29BrClN3O4/c34-32-24(9-6-10-27(32)23-7-2-1-3-8-23)21-42-31-17-30(41-20-22-12-13-37-26(15-22)18-36)25(16-28(31)35)19-38-14-5-4-11-29(38)33(39)40/h1-3,6-10,12-13,15-17,29H,4-5,11,14,19-21H2,(H,39,40)/t29-/m0/s1" . "CC(=O)N(c1ccc(cc1)Cl)C1=CC(=O)CCC1" . "CC(=O)N(c1ccc(cc1)Cl)C1=CC(=O)CCC1" . "UOYMKJRPIIMBTR-UHFFFAOYSA-N" . "InChI=1S/C14H14ClNO2/c1-10(17)16(12-7-5-11(15)6-8-12)13-3-2-4-14(18)9-13/h5-9H,2-4H2,1H3" . "O=C(Nc1cccnc1)COc1ccc(cc1)C(=O)c1cccc(c1)Cl" . "O=C(Nc1cccnc1)COc1ccc(cc1)C(=O)c1cccc(c1)Cl" . "KKKJYDOHVKIIQP-UHFFFAOYSA-N" . "InChI=1S/C20H15ClN2O3/c21-16-4-1-3-15(11-16)20(25)14-6-8-18(9-7-14)26-13-19(24)23-17-5-2-10-22-12-17/h1-12H,13H2,(H,23,24)" . "COc1cncnc1N1CCN(CC1)CCCc1c[nH]c2c1cc(cc2)CS(=O)(=O)NC" . "COc1cncnc1N1CCN(CC1)CCCc1c[nH]c2c1cc(cc2)CS(=O)(=O)NC" . "WRZVGHXUPBWIOO-UHFFFAOYSA-N" . "InChI=1S/C22H30N6O3S/c1-23-32(29,30)15-17-5-6-20-19(12-17)18(13-25-20)4-3-7-27-8-10-28(11-9-27)22-21(31-2)14-24-16-26-22/h5-6,12-14,16,23,25H,3-4,7-11,15H2,1-2H3" . "O=C(CN1C(=O)NC(C1=O)(C)C1CC1)Nc1ccc(c(c1)S(=O)(=O)N1CCCCC1)Br" . "O=C(CN1C(=O)NC(C1=O)(C)C1CC1)Nc1ccc(c(c1)S(=O)(=O)N1CCCCC1)Br" . "CDJMQOCUCVPNIU-UHFFFAOYSA-N" . "InChI=1S/C20H25BrN4O5S/c1-20(13-5-6-13)18(27)25(19(28)23-20)12-17(26)22-14-7-8-15(21)16(11-14)31(29,30)24-9-3-2-4-10-24/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,22,26)(H,23,28)" . "COC(=O)c1cccc(c1)CSc1nc(N)c(c(c1C#N)c1ccco1)C#N" . "COC(=O)c1cccc(c1)CSc1nc(N)c(c(c1C#N)c1ccco1)C#N" . "IKBOAPCYYHRBSI-UHFFFAOYSA-N" . "InChI=1S/C20H14N4O3S/c1-26-20(25)13-5-2-4-12(8-13)11-28-19-15(10-22)17(16-6-3-7-27-16)14(9-21)18(23)24-19/h2-8H,11H2,1H3,(H2,23,24)" . "COc1cc(OCc2cccc(c2)OCc2ccccc2)c2c(c1)oc(c2)c1cn2c(n1)sc(n2)OC" . "COc1cc(OCc2cccc(c2)OCc2ccccc2)c2c(c1)oc(c2)c1cn2c(n1)sc(n2)OC" . "LFOIDLOIBZFWDO-UHFFFAOYSA-N" . "InChI=1S/C28H23N3O5S/c1-32-21-12-24(35-17-19-9-6-10-20(11-19)34-16-18-7-4-3-5-8-18)22-14-26(36-25(22)13-21)23-15-31-27(29-23)37-28(30-31)33-2/h3-15H,16-17H2,1-2H3" . "COc1ncc(cc1NS(=O)(=O)c1ccc(cc1F)F)c1cc(OCC2(C)COC2)c2c(c1)c(C)ncn2" . "COc1ncc(cc1NS(=O)(=O)c1ccc(cc1F)F)c1cc(OCC2(C)COC2)c2c(c1)c(C)ncn2" . "CPUXOJVJEJZOSP-UHFFFAOYSA-N" . "InChI=1S/C26H24F2N4O5S/c1-15-19-6-16(8-22(24(19)31-14-30-15)37-13-26(2)11-36-12-26)17-7-21(25(35-3)29-10-17)32-38(33,34)23-5-4-18(27)9-20(23)28/h4-10,14,32H,11-13H2,1-3H3" . "OCc1cccc(c1c1nc(NCc2ccc(cc2)Oc2ccccc2)nc(n1)N)F" . "OCc1cccc(c1c1nc(NCc2ccc(cc2)Oc2ccccc2)nc(n1)N)F" . "KKHDNAZPEMYUNO-UHFFFAOYSA-N" . "InChI=1S/C23H20FN5O2/c24-19-8-4-5-16(14-30)20(19)21-27-22(25)29-23(28-21)26-13-15-9-11-18(12-10-15)31-17-6-2-1-3-7-17/h1-12,30H,13-14H2,(H3,25,26,27,28,29)" . "N#Cc1ccc(cc1Cl)c1ccn(n1)CC(NC(=O)c1n[nH]c(c1)C(O)C)C" . "N#Cc1ccc(cc1Cl)c1ccn(n1)C[C@@H](NC(=O)c1n[nH]c(c1)C(O)C)C" . "BLIJXOOIHRSQRB-PXYINDEMSA-N" . "InChI=1S/C19H19ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11-12,27H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-,12?/m0/s1" . "Fc1ccc(cc1)S(=O)(=O)Nc1ccccc1c1ccc(s1)C(=O)c1cc(F)c(c(c1F)O)F" . "Fc1ccc(cc1)S(=O)(=O)Nc1ccccc1c1ccc(s1)C(=O)c1cc(F)c(c(c1F)O)F" . "CHVVDDGGNOHSOG-UHFFFAOYSA-N" . "InChI=1S/C23H13F4NO4S2/c24-12-5-7-13(8-6-12)34(31,32)28-17-4-2-1-3-14(17)18-9-10-19(33-18)22(29)15-11-16(25)21(27)23(30)20(15)26/h1-11,28,30H" . "CNC(=O)CC1NCC(C(C1)c1ccc(c(c1)F)F)NC(=O)c1oc(c(c1)c1c(Cl)cnn1C)Cl" . "CNC(=O)C[C@H]1NC[C@H]([C@@H](C1)c1ccc(c(c1)F)F)NC(=O)c1oc(c(c1)c1c(Cl)cnn1C)Cl" . "SXDPQGRNHSLZPC-ZJNRKIDTSA-N" . "InChI=1S/C23H23Cl2F2N5O3/c1-28-20(33)7-12-6-13(11-3-4-16(26)17(27)5-11)18(10-29-12)31-23(34)19-8-14(22(25)35-19)21-15(24)9-30-32(21)2/h3-5,8-9,12-13,18,29H,6-7,10H2,1-2H3,(H,28,33)(H,31,34)/t12-,13-,18+/m0/s1" . "COc1cc2c(cc1OC)CCn1c2cc(=Nc2c(C)cc(cc2C)C)n(c1=O)C" . "COc1cc2c(cc1OC)CCn1c2cc(=Nc2c(C)cc(cc2C)C)n(c1=O)C" . "MCMSJVMUSBZUCN-UHFFFAOYSA-N" . "InChI=1S/C24H27N3O3/c1-14-9-15(2)23(16(3)10-14)25-22-13-19-18-12-21(30-6)20(29-5)11-17(18)7-8-27(19)24(28)26(22)4/h9-13H,7-8H2,1-6H3" . "CCCCc1nn2c(c1)c(N)nc1c2cccc1" . "CCCCc1nn2c(c1)c(N)nc1c2cccc1" . "YMNPLUINBRDMEW-UHFFFAOYSA-N" . "InChI=1S/C14H16N4/c1-2-3-6-10-9-13-14(15)16-11-7-4-5-8-12(11)18(13)17-10/h4-5,7-9H,2-3,6H2,1H3,(H2,15,16)" . "[O]#C[Co]1(C#[O])(C#[O])C2C1([Co]2(C#[O])(C#[O])C#[O])CNc1ccc(cc1)S(=O)(=O)N" . "[O]#C[Co]1(C#[O])(C#[O])C2C1([Co]2(C#[O])(C#[O])C#[O])CNc1ccc(cc1)S(=O)(=O)N" . "QMTFSGDBEOQNOF-UHFFFAOYSA-N" . "InChI=1S/C9H10N2O2S.6CO.2Co/c1-2-7-11-8-3-5-9(6-4-8)14(10,12)13;6*1-2;;/h1,3-6,11H,7H2,(H2,10,12,13);;;;;;;;" . "C#CCNc1ccc(cc1)S(=O)(=O)N" . "C#CCNc1ccc(cc1)S(=O)(=O)N" . "HPRYFTLQNXBKDM-UHFFFAOYSA-N" . "InChI=1S/C9H10N2O2S/c1-2-7-11-8-3-5-9(6-4-8)14(10,12)13/h1,3-6,11H,7H2,(H2,10,12,13)" . "CNC(=O)c1nnc(cc1Nc1cccc(c1OC)c1ncn(n1)C)NC(=O)C1CC1" . "COc1c(cccc1c1ncn(n1)C)Nc1cc(nnc1C(=O)NC([2H])([2H])[2H])NC(=O)C1CC1" . "BZZKEPGENYLQSC-FIBGUPNXSA-N" . "InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29)/i1D3" . "Cc1cc(nn1c1ccc2c(c1)cccc2)OCCN1CCOCC1" . "Cc1cc(nn1c1ccc2c(c1)cccc2)OCCN1CCOCC1" . "DGPGXHRHNRYVDH-UHFFFAOYSA-N" . "InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3" . "O=C(c1nccc(c1)n1cnc(c1)C1CC1)Nc1cccc(c1)c1nncn1C1CC1" . "O=C(c1nccc(c1)n1cnc(c1)C1CC1)Nc1cccc(c1)c1nncn1C1CC1" . "ZGCMQKWOUIMBEP-UHFFFAOYSA-N" . "InChI=1S/C23H21N7O/c31-23(20-11-19(8-9-24-20)29-12-21(25-13-29)15-4-5-15)27-17-3-1-2-16(10-17)22-28-26-14-30(22)18-6-7-18/h1-3,8-15,18H,4-7H2,(H,27,31)" . "Fc1ccc2c(c1)C(=C1SC(=Nc3ccccc3Cl)NC1=O)C(=O)N2" . "Fc1ccc2c(c1)/C(=C/1/S/C(=N/c3ccccc3Cl)/NC1=O)/C(=O)N2" . "HNOFQKYBQYGFNQ-YPKPFQOOSA-N" . "InChI=1S/C17H9ClFN3O2S/c18-10-3-1-2-4-12(10)21-17-22-16(24)14(25-17)13-9-7-8(19)5-6-11(9)20-15(13)23/h1-7H,(H,20,23)(H,21,22,24)/b14-13-" . "COc1cc2cn[nH]c2cc1c1ccc(c2c1ncc(c2N)C(=O)N)F" . "COc1cc2cn[nH]c2cc1c1ccc(c2c1ncc(c2N)C(=O)N)F" . "RFCJOYPMBVRHBV-UHFFFAOYSA-N" . "InChI=1S/C18H14FN5O2/c1-26-14-4-8-6-23-24-13(8)5-10(14)9-2-3-12(19)15-16(20)11(18(21)25)7-22-17(9)15/h2-7H,1H3,(H2,20,22)(H2,21,25)(H,23,24)" . "Fc1ccc(cc1)c1noc(c1COc1ccc(cn1)C(=O)N1CCS(=O)(=O)CC1)C" . "Fc1ccc(cc1)c1noc(c1COc1ccc(cn1)C(=O)N1CCS(=O)(=O)CC1)C" . "VCGRFBXVSFAGGA-UHFFFAOYSA-N" . "InChI=1S/C21H20FN3O5S/c1-14-18(20(24-30-14)15-2-5-17(22)6-3-15)13-29-19-7-4-16(12-23-19)21(26)25-8-10-31(27,28)11-9-25/h2-7,12H,8-11,13H2,1H3" . "O=C1c2nc3ccccc3c(=O)n2c2c1cccc2" . "O=C1c2nc3ccccc3c(=O)n2c2c1cccc2" . "VQQVWGVXDIPORV-UHFFFAOYSA-N" . "InChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H" . "FC(c1cc2cnc(nc2n(c1=O)C1CCCC1(C)O)NC1CCN(CC1)S(=O)(=O)C)F" . "FC(c1cc2cnc(nc2n(c1=O)[C@@H]1CCC[C@@]1(C)O)NC1CCN(CC1)S(=O)(=O)C)F" . "QIEKHLDZKRQLLN-FOIQADDNSA-N" . "InChI=1S/C20H27F2N5O4S/c1-20(29)7-3-4-15(20)27-17-12(10-14(16(21)22)18(27)28)11-23-19(25-17)24-13-5-8-26(9-6-13)32(2,30)31/h10-11,13,15-16,29H,3-9H2,1-2H3,(H,23,24,25)/t15-,20-/m1/s1" . "COc1nc(NC2CCC(CC2)N)c(cc1C(=O)N)F" . "COc1nc(N[C@@H]2CC[C@H](CC2)N)c(cc1C(=O)N)F" . "IMZIJLMIOSQRGE-ZKCHVHJHSA-N" . "InChI=1S/C13H19FN4O2/c1-20-13-9(11(16)19)6-10(14)12(18-13)17-8-4-2-7(15)3-5-8/h6-8H,2-5,15H2,1H3,(H2,16,19)(H,17,18)/t7-,8-" . "Clc1ccc(nc1)Oc1ccc(cc1Cl)NC(=O)c1ccccn1" . "Clc1ccc(nc1)Oc1ccc(cc1Cl)NC(=O)c1ccccn1" . "MZRLPXFGQKQHST-UHFFFAOYSA-N" . "InChI=1S/C17H11Cl2N3O2/c18-11-4-7-16(21-10-11)24-15-6-5-12(9-13(15)19)22-17(23)14-3-1-2-8-20-14/h1-10H,(H,22,23)" . "COc1c(cccc1B(O)O)c1nc2ccc3c(c2c2c1CCC2)cn[nH]3" . "COc1c(cccc1B(O)O)c1nc2ccc3c(c2c2c1CCC2)cn[nH]3" . "WTZMCUOBQPTERK-UHFFFAOYSA-N" . "InChI=1S/C20H18BN3O3/c1-27-20-13(6-3-7-15(20)21(25)26)19-12-5-2-4-11(12)18-14-10-22-24-16(14)8-9-17(18)23-19/h3,6-10,25-26H,2,4-5H2,1H3,(H,22,24)" . "CC1CNCCCN1S(=O)(=O)c1cccc2c1c(F)cnc2" . "C[C@H]1CNCCCN1S(=O)(=O)c1cccc2c1c(F)cnc2" . "QSKQVZWVLOIIEV-NSHDSACASA-N" . "InChI=1S/C15H18FN3O2S/c1-11-8-17-6-3-7-19(11)22(20,21)14-5-2-4-12-9-18-10-13(16)15(12)14/h2,4-5,9-11,17H,3,6-8H2,1H3/t11-/m0/s1" . "Fc1ccc(cc1)C(=O)N1CCn2c(C1C)nnc2c1snc(n1)C" . "Fc1ccc(cc1)C(=O)N1CCn2c([C@H]1C)nnc2c1snc(n1)C" . "PPSNFPASKFYPMN-SECBINFHSA-N" . "InChI=1S/C16H15FN6OS/c1-9-13-19-20-14(15-18-10(2)21-25-15)23(13)8-7-22(9)16(24)11-3-5-12(17)6-4-11/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1" . "OCCCn1c(=O)c2n(Cc3ccc(cc3)Cl)c(nc2n(c1=O)C)Oc1ccc(c(c1)OC(F)(F)F)Cl" . "OCCCn1c(=O)c2n(Cc3ccc(cc3)Cl)c(nc2n(c1=O)C)Oc1ccc(c(c1)OC(F)(F)F)Cl" . "UNQYAAAWKOOBFQ-UHFFFAOYSA-N" . "InChI=1S/C23H19Cl2F3N4O5/c1-30-19-18(20(34)31(22(30)35)9-2-10-33)32(12-13-3-5-14(24)6-4-13)21(29-19)36-15-7-8-16(25)17(11-15)37-23(26,27)28/h3-8,11,33H,2,9-10,12H2,1H3" . "COc1cc2nccc(c2cc1OC)Oc1ccc(cc1)NC(=O)Cc1ccc(c(c1)C(F)(F)F)Cl" . "COc1cc2nccc(c2cc1OC)Oc1ccc(cc1)NC(=O)Cc1ccc(c(c1)C(F)(F)F)Cl" . "YOHLRCOPRAVUCJ-UHFFFAOYSA-N" . "InChI=1S/C26H20ClF3N2O4/c1-34-23-13-18-21(14-24(23)35-2)31-10-9-22(18)36-17-6-4-16(5-7-17)32-25(33)12-15-3-8-20(27)19(11-15)26(28,29)30/h3-11,13-14H,12H2,1-2H3,(H,32,33)" . "OCCOc1cc2ncnc(c2cc1S(=O)(=O)C(C)(C)C)Nc1ccc2c(c1)ncs2" . "OCCOc1cc2ncnc(c2cc1S(=O)(=O)C(C)(C)C)Nc1ccc2c(c1)ncs2" . "UHDOJINBFLDQJM-UHFFFAOYSA-N" . "InChI=1S/C21H22N4O4S2/c1-21(2,3)31(27,28)19-9-14-15(10-17(19)29-7-6-26)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3,(H,22,23,25)" . "CN1CCN(CC1)C(=O)c1ccc(cc1)C(=O)NC(C(CNC(c1ccccc1)C)O)Cc1ccccc1" . "CN1CCN(CC1)C(=O)c1ccc(cc1)C(=O)N[C@H]([C@@H](CN[C@@H](c1ccccc1)C)O)Cc1ccccc1" . "NCNJHAHPOUUEQX-LDVROUIZSA-N" . "InChI=1S/C31H38N4O3/c1-23(25-11-7-4-8-12-25)32-22-29(36)28(21-24-9-5-3-6-10-24)33-30(37)26-13-15-27(16-14-26)31(38)35-19-17-34(2)18-20-35/h3-16,23,28-29,32,36H,17-22H2,1-2H3,(H,33,37)/t23-,28+,29-/m1/s1" . "OCC1CCCN1C1CC=C(CC1C)c1cnc2c(n1)n(nc2C#N)C(c1ccc(cc1Cl)Cl)C" . "OC[C@@H]1CCCN1[C@H]1CC=C(C[C@H]1C)c1cnc2c(n1)n(nc2C#N)[C@@H](c1ccc(cc1Cl)Cl)C" . "KQZLRWGGWXJPOS-NLFPWZOASA-N" . "InChI=1S/C26H28Cl2N6O/c1-15-10-17(5-8-24(15)33-9-3-4-19(33)14-35)23-13-30-25-22(12-29)32-34(26(25)31-23)16(2)20-7-6-18(27)11-21(20)28/h5-7,11,13,15-16,19,24,35H,3-4,8-10,14H2,1-2H3/t15-,16-,19+,24+/m1/s1" . "COc1cccc2c1c(nn2Cc1cccc(c1)CNC(=O)C(O)(C)C)NS(=O)(=O)c1ccc(s1)Cl" . "COc1cccc2c1c(nn2Cc1cccc(c1)CNC(=O)C(O)(C)C)NS(=O)(=O)c1ccc(s1)Cl" . "YTEVTHHGQMUPHC-UHFFFAOYSA-N" . "InChI=1S/C24H25ClN4O5S2/c1-24(2,31)23(30)26-13-15-6-4-7-16(12-15)14-29-17-8-5-9-18(34-3)21(17)22(27-29)28-36(32,33)20-11-10-19(25)35-20/h4-12,31H,13-14H2,1-3H3,(H,26,30)(H,27,28)" . "O=C(Nc1n(C)nc(c1c1ccc(cc1F)Cl)C)Cn1c(nc2c1cccc2)C(C)C" . "O=C(Nc1n(C)nc(c1c1ccc(cc1F)Cl)C)Cn1c(nc2c1cccc2)C(C)C" . "AXHVMTZWSKDPRR-UHFFFAOYSA-N" . "InChI=1S/C23H23ClFN5O/c1-13(2)22-26-18-7-5-6-8-19(18)30(22)12-20(31)27-23-21(14(3)28-29(23)4)16-10-9-15(24)11-17(16)25/h5-11,13H,12H2,1-4H3,(H,27,31)" . "COc1cc(NC(CCCNC(=C2CCOC2=O)C)C)c2c(c1)cccn2" . "COc1cc(NC(CCCN/C(=C/2/CCOC2=O)/C)C)c2c(c1)cccn2" . "ADCOUXIGWFEYJP-OBGWFSINSA-N" . "InChI=1S/C21H27N3O3/c1-14(6-4-9-22-15(2)18-8-11-27-21(18)25)24-19-13-17(26-3)12-16-7-5-10-23-20(16)19/h5,7,10,12-14,22,24H,4,6,8-9,11H2,1-3H3/b18-15+" . "CCCc1cc(F)ccc1C(c1ncc[nH]1)O" . "CCCc1cc(F)ccc1[C@@H](c1ncc[nH]1)O" . "IDFPQEHZYBXIFO-LBPRGKRZSA-N" . "InChI=1S/C13H15FN2O/c1-2-3-9-8-10(14)4-5-11(9)12(17)13-15-6-7-16-13/h4-8,12,17H,2-3H2,1H3,(H,15,16)/t12-/m0/s1" . "OP(=O)(OCCOc1cc2ncnc(c2cc1S(=O)(=O)C(C)(C)C)Nc1ccc2c(c1)ncs2)O" . "OP(=O)(OCCOc1cc2ncnc(c2cc1S(=O)(=O)C(C)(C)C)Nc1ccc2c(c1)ncs2)O" . "MJLYDVMFNHZMLV-UHFFFAOYSA-N" . "InChI=1S/C21H23N4O7PS2/c1-21(2,3)35(29,30)19-9-14-15(10-17(19)31-6-7-32-33(26,27)28)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-34-18/h4-5,8-12H,6-7H2,1-3H3,(H,22,23,25)(H2,26,27,28)" . "O=C1CC2CC(C1C)OOC2(C)C=Cc1ccc(cc1C(F)(F)F)C(F)(F)F" . "O=C1C[C@H]2C[C@@H]([C@@H]1C)OO[C@@]2(C)/C=C/c1ccc(cc1C(F)(F)F)C(F)(F)F" . "LRTRTVPZZJAADL-DAHZFVMQSA-N" . "InChI=1S/C19H18F6O3/c1-10-15(26)8-13-9-16(10)27-28-17(13,2)6-5-11-3-4-12(18(20,21)22)7-14(11)19(23,24)25/h3-7,10,13,16H,8-9H2,1-2H3/b6-5-/t10-,13+,16+,17+/m1/s1" . "COc1ccc(cc1)C(C(C(=O)NC(C(=O)C1(C)CO1)CC1=CCCC1)NC(=O)C(NC(=O)CN1CCOCC1)C)O" . "COc1ccc(cc1)[C@H]([C@@H](C(=O)N[C@H](C(=O)[C@@]1(C)CO1)CC1=CCCC1)NC(=O)[C@@H](NC(=O)CN1CCOCC1)C)O" . "GHYOCDFICYLMRF-UTIIJYGPSA-N" . "InChI=1S/C30H42N4O8/c1-19(31-24(35)17-34-12-14-41-15-13-34)28(38)33-25(26(36)21-8-10-22(40-3)11-9-21)29(39)32-23(16-20-6-4-5-7-20)27(37)30(2)18-42-30/h6,8-11,19,23,25-26,36H,4-5,7,12-18H2,1-3H3,(H,31,35)(H,32,39)(H,33,38)/t19-,23-,25-,26+,30+/m0/s1" . "CCCCC(C(=O)NC1CC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C" . "CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C" . "FFHBJDQSGDNCIV-MFVUMRCOSA-N" . "InChI=1S/C50H68N14O10/c1-3-4-16-35(58-29(2)65)43(67)64-41-25-42(66)54-20-11-10-18-37(49(73)74)60-46(70)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(68)36(19-12-21-55-50(51)52)59-45(69)38(22-30-13-6-5-7-14-30)61-47(71)40(63-48(41)72)24-32-27-53-28-57-32/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25H2,1-2H3,(H,53,57)(H,54,66)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,64,67)(H,73,74)(H4,51,52,55)/t35-,36-,37-,38+,39-,40-,41-/m0/s1" . "OCCc1sc[n+](c1C)CCCCCCCCCCCC[n+]1csc(c1C)CCO" . "OCCc1sc[n+](c1C)CCCCCCCCCCCC[n+]1csc(c1C)CCO" . "UZPXHZIQHWKNPF-UHFFFAOYSA-N" . "InChI=1S/C24H42N2O2S2/c1-21-23(13-17-27)29-19-25(21)15-11-9-7-5-3-4-6-8-10-12-16-26-20-30-24(14-18-28)22(26)2/h19-20,27-28H,3-18H2,1-2H3/q+2" . "Clc1cc2OCCOCCNc3nc4c(c(c1)c2)cnn4cc3" . "Clc1cc2OCCOCCNc3nc4c(c(c1)c2)cnn4cc3" . "KTSDBMVHAKWDRK-UHFFFAOYSA-N" . "InChI=1S/C16H15ClN4O2/c17-12-7-11-8-13(9-12)23-6-5-22-4-2-18-15-1-3-21-16(20-15)14(11)10-19-21/h1,3,7-10H,2,4-6H2,(H,18,20)" . "Clc1ccc(cc1C(=O)Nc1ccccc1C(=O)O)S(=O)(=O)c1ccccc1" . "Clc1ccc(cc1C(=O)Nc1ccccc1C(=O)O)S(=O)(=O)c1ccccc1" . "CLAUJSRBKSRTGQ-UHFFFAOYSA-N" . "InChI=1S/C20H14ClNO5S/c21-17-11-10-14(28(26,27)13-6-2-1-3-7-13)12-16(17)19(23)22-18-9-5-4-8-15(18)20(24)25/h1-12H,(H,22,23)(H,24,25)" . "CCCCCCCCCCCCCCCC(=O)NC(C(=O)O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCC(C(=O)O)NC(=O)C(C1CCCCC1)NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccn2)NC(=O)C(NC(=O)C(C(C)(C)C)NC(=O)C(N(C(=O)C1CC(=O)NCCCCC(NC(=O)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)Cc1ccccc1)CCCNC(=N)N)CCC(=O)O)C(C)C)C)CC(=O)O)Cc1ccc(cc1)O)CCC(=O)O)Cc1ccc(cc1)O" . "CCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)[C@H](C1CCCCC1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccn2)NC(=O)[C@@H](NC(=O)[C@H](C(C)(C)C)NC(=O)[C@@H](N(C(=O)[C@@H]1CC(=O)NCCCC[C@H](NC(=O)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)Cc1ccccc1)CCCNC(=N)N)CCC(=O)O)C(C)C)C)CC(=O)O)Cc1ccc(cc1)O)CCC(=O)O)Cc1ccc(cc1)O" . "JDXCOXKBIGBZSK-PSNKNOTQSA-N" . "InChI=1S/C172H278N24O55/c1-9-10-11-12-13-14-15-16-17-18-19-20-27-44-146(202)182-136(170(226)227)53-56-144(200)177-64-67-229-69-71-231-73-75-233-77-79-235-81-83-237-85-87-239-89-91-241-93-95-243-97-99-245-101-103-247-105-107-249-109-111-251-113-112-250-110-108-248-106-104-246-102-100-244-98-96-242-94-92-240-90-88-238-86-84-236-82-80-234-78-76-232-74-72-230-70-68-228-66-59-145(201)175-60-31-29-41-135(169(224)225)186-165(220)152(126-37-25-22-26-38-126)193-162(217)142-43-34-65-196(142)168(223)140(116-125-47-51-129(199)52-48-125)190-157(212)133(54-57-148(204)205)184-161(216)139(117-127-120-180-154-130(127)39-32-62-178-154)188-159(214)138(115-124-45-49-128(198)50-46-124)189-166(221)153(172(5,6)7)194-163(218)143(119-150(208)209)195(8)167(222)141-118-147(203)176-61-30-28-40-131(181-122(4)197)158(213)192-151(121(2)3)164(219)185-134(55-58-149(206)207)156(211)183-132(42-33-63-179-171(173)174)155(210)187-137(160(215)191-141)114-123-35-23-21-24-36-123/h21,23-24,32,35-36,39,45-52,62,120-121,126,131-143,151-153,198-199H,9-20,22,25-31,33-34,37-38,40-44,53-61,63-119H2,1-8H3,(H,175,201)(H,176,203)(H,177,200)(H,178,180)(H,181,197)(H,182,202)(H,183,211)(H,184,216)(H,185,219)(H,186,220)(H,187,210)(H,188,214)(H,189,221)(H,190,212)(H,191,215)(H,192,213)(H,193,217)(H,194,218)(H,204,205)(H,206,207)(H,208,209)(H,224,225)(H,226,227)(H4,173,174,179)/t131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,151-,152-,153+/m0/s1" . "COc1cc(ccc1OC)c1cnc2c(c1)c(C#Cc1cccnc1)c[nH]2" . "COc1cc(ccc1OC)c1cnc2c(c1)c(C#Cc1cccnc1)c[nH]2" . "CJTVDIBZBUWIFC-UHFFFAOYSA-N" . "InChI=1S/C22H17N3O2/c1-26-20-8-7-16(11-21(20)27-2)18-10-19-17(13-24-22(19)25-14-18)6-5-15-4-3-9-23-12-15/h3-4,7-14H,1-2H3,(H,24,25)" . "COc1n[nH]c2c1cc(cn2)c1nnn(c1)c1c(F)ccc(c1F)NS(=O)(=O)c1cccc(c1)c1ccccc1" . "COc1n[nH]c2c1cc(cn2)c1nnn(c1)c1c(F)ccc(c1F)NS(=O)(=O)c1cccc(c1)c1ccccc1" . "QRDCOOSKIFYKIQ-UHFFFAOYSA-N" . "InChI=1S/C27H19F2N7O3S/c1-39-27-20-13-18(14-30-26(20)32-33-27)23-15-36(35-31-23)25-21(28)10-11-22(24(25)29)34-40(37,38)19-9-5-8-17(12-19)16-6-3-2-4-7-16/h2-15,34H,1H3,(H,30,32,33)" . "O=C(Nc1cc(ccc1F)Oc1ccc2c(c1)sc(n2)NC(=O)C1CC1)Nc1cccc(c1)Br" . "O=C(Nc1cc(ccc1F)Oc1ccc2c(c1)sc(n2)NC(=O)C1CC1)Nc1cccc(c1)Br" . "RIVQMLWSKYAVFY-UHFFFAOYSA-N" . "InChI=1S/C24H18BrFN4O3S/c25-14-2-1-3-15(10-14)27-23(32)28-20-11-16(6-8-18(20)26)33-17-7-9-19-21(12-17)34-24(29-19)30-22(31)13-4-5-13/h1-3,6-13H,4-5H2,(H2,27,28,32)(H,29,30,31)" . "O=CN1CCc2c(C1CCc1c[nH]c3c1ccc(c3)C)cc(c(c2)OC)OC" . "O=CN1CCc2c([C@@H]1CCc1c[nH]c3c1ccc(c3)C)cc(c(c2)OC)OC" . "OIDQRHGTWLIKKZ-NRFANRHFSA-N" . "InChI=1S/C23H26N2O3/c1-15-4-6-18-17(13-24-20(18)10-15)5-7-21-19-12-23(28-3)22(27-2)11-16(19)8-9-25(21)14-26/h4,6,10-14,21,24H,5,7-9H2,1-3H3/t21-/m0/s1" . "CCC(N(C(=O)N(c1ccc(cc1)Cl)C)C)c1ccc(cc1)C" . "CCC(N(C(=O)N(c1ccc(cc1)Cl)C)C)c1ccc(cc1)C" . "YPDVKFTYHRFBSZ-UHFFFAOYSA-N" . "InChI=1S/C19H23ClN2O/c1-5-18(15-8-6-14(2)7-9-15)22(4)19(23)21(3)17-12-10-16(20)11-13-17/h6-13,18H,5H2,1-4H3" . "O=C(OCC(Oc1ccc(cc1)C(=C)C1COC2(OO1)C1CC3CC2CC(C1)C3)(C)C)CCC(=O)O" . "O=C(OCC(Oc1ccc(cc1)C(=C)C1COC2(OO1)C1CC3CC2CC(C1)C3)(C)C)CCC(=O)O" . "LKAAAECAYCDCQW-UHFFFAOYSA-N" . "InChI=1S/C28H36O8/c1-17(24-15-33-28(36-35-24)21-11-18-10-19(13-21)14-22(28)12-18)20-4-6-23(7-5-20)34-27(2,3)16-32-26(31)9-8-25(29)30/h4-7,18-19,21-22,24H,1,8-16H2,2-3H3,(H,29,30)" . "C1CN=C(N1)Cc1cccc2c1cccc2" . "C1CN=C(N1)Cc1cccc2c1cccc2" . "CNIIGCLFLJGOGP-UHFFFAOYSA-N" . "InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)" . "Clc1ccc2c(c1)nccc2Nc1cc(CNC(C)(C)C)c(c2c1CCCC2)O" . "Clc1ccc2c(c1)nccc2Nc1cc(CNC(C)(C)C)c(c2c1CCCC2)O" . "VEVMYTDOWUQLGI-UHFFFAOYSA-N" . "InChI=1S/C24H28ClN3O/c1-24(2,3)27-14-15-12-22(17-6-4-5-7-18(17)23(15)29)28-20-10-11-26-21-13-16(25)8-9-19(20)21/h8-13,27,29H,4-7,14H2,1-3H3,(H,26,28)" . "Oc1c(CNC(C)(C)C)cc(cc1c1cnc(c(c1)F)C(F)(F)F)C(C)(C)C" . "Oc1c(CNC(C)(C)C)cc(cc1c1cnc(c(c1)F)C(F)(F)F)C(C)(C)C" . "DYULPLHABFGTOQ-UHFFFAOYSA-N" . "InChI=1S/C21H26F4N2O/c1-19(2,3)14-7-13(11-27-20(4,5)6)17(28)15(9-14)12-8-16(22)18(26-10-12)21(23,24)25/h7-10,27-28H,11H2,1-6H3" . "Cc1cc(cc(c1)C(=O)N(C(c1ccccc1)C)C)C(=O)NC(C(CNCc1cccc(c1)C(F)(F)F)O)Cc1ccccc1" . "Cc1cc(cc(c1)C(=O)N([C@@H](c1ccccc1)C)C)C(=O)N[C@H]([C@@H](CNCc1cccc(c1)C(F)(F)F)O)Cc1ccccc1" . "KQGVKXJLEHXBDS-CBHGIOBQSA-N" . "InChI=1S/C36H38F3N3O3/c1-24-17-29(21-30(18-24)35(45)42(3)25(2)28-14-8-5-9-15-28)34(44)41-32(20-26-11-6-4-7-12-26)33(43)23-40-22-27-13-10-16-31(19-27)36(37,38)39/h4-19,21,25,32-33,40,43H,20,22-23H2,1-3H3,(H,41,44)/t25-,32+,33-/m1/s1" . "NCCCC(Nc1cc(OC)c(c2c1nccc2C)Oc1ccc(c(c1)Cl)Cl)C" . "NCCC[C@H](Nc1cc(OC)c(c2c1nccc2C)Oc1ccc(c(c1)Cl)Cl)C" . "UEFVAUCKVCFRDW-CQSZACIVSA-N" . "InChI=1S/C22H25Cl2N3O2/c1-13-8-10-26-21-18(27-14(2)5-4-9-25)12-19(28-3)22(20(13)21)29-15-6-7-16(23)17(24)11-15/h6-8,10-12,14,27H,4-5,9,25H2,1-3H3/t14-/m1/s1" . "Clc1ccc(cc1)c1cc(cc(c1O)CNC(C)(C)C)Nc1ccnc2c1ccc(c2)Cl" . "Clc1ccc(cc1)c1cc(cc(c1O)CNC(C)(C)C)Nc1ccnc2c1ccc(c2)Cl" . "BCHMRNALCJISMZ-UHFFFAOYSA-N" . "InChI=1S/C26H25Cl2N3O/c1-26(2,3)30-15-17-12-20(14-22(25(17)32)16-4-6-18(27)7-5-16)31-23-10-11-29-24-13-19(28)8-9-21(23)24/h4-14,30,32H,15H2,1-3H3,(H,29,31)" . "CCN(CCCNc1ccnc2c1ccc(c2)Cl)CC" . "CCN(CCCNc1ccnc2c1ccc(c2)Cl)CC" . "NCPLTAGJJVCHOW-UHFFFAOYSA-N" . "InChI=1S/C16H22ClN3/c1-3-20(4-2)11-5-9-18-15-8-10-19-16-12-13(17)6-7-14(15)16/h6-8,10,12H,3-5,9,11H2,1-2H3,(H,18,19)" . "Clc1ccc(cc1)C1CCN(CC1)CCCn1c(=O)c2cccn2c2c1cccc2" . "Clc1ccc(cc1)C1CCN(CC1)CCCn1c(=O)c2cccn2c2c1cccc2" . "WOSMCMULWWHMIV-UHFFFAOYSA-N" . "InChI=1S/C25H26ClN3O/c26-21-10-8-19(9-11-21)20-12-17-27(18-13-20)14-4-16-29-23-6-2-1-5-22(23)28-15-3-7-24(28)25(29)30/h1-3,5-11,15,20H,4,12-14,16-18H2" . "O=C(C1CC1)Nc1nccc(c1)Oc1ccc(c(c1C)C)NC(=O)c1cccn(c1=O)c1ccc(cc1)F" . "O=C(C1CC1)Nc1nccc(c1)Oc1ccc(c(c1C)C)NC(=O)c1cccn(c1=O)c1ccc(cc1)F" . "PETCZXAONWLUFT-UHFFFAOYSA-N" . "InChI=1S/C29H25FN4O4/c1-17-18(2)25(38-22-13-14-31-26(16-22)33-27(35)19-5-6-19)12-11-24(17)32-28(36)23-4-3-15-34(29(23)37)21-9-7-20(30)8-10-21/h3-4,7-16,19H,5-6H2,1-2H3,(H,32,36)(H,31,33,35)" . "O=C(Nc1cc(ccc1F)Oc1ccc2c(c1)sc(n2)NC(=O)C1CC1)Cc1cccc(c1)C(F)(F)F" . "O=C(Nc1cc(ccc1F)Oc1ccc2c(c1)sc(n2)NC(=O)C1CC1)Cc1cccc(c1)C(F)(F)F" . "SDSQERWTMKMZLA-UHFFFAOYSA-N" . "InChI=1S/C26H19F4N3O3S/c27-19-8-6-17(12-21(19)31-23(34)11-14-2-1-3-16(10-14)26(28,29)30)36-18-7-9-20-22(13-18)37-25(32-20)33-24(35)15-4-5-15/h1-3,6-10,12-13,15H,4-5,11H2,(H,31,34)(H,32,33,35)" . "N#Cc1c(ccc2c1sc(n2)NC(=O)C1CC1)Oc1ccc(c(c1)NC(=O)Cc1cccc(c1)C(F)(F)F)F" . "N#Cc1c(ccc2c1sc(n2)NC(=O)C1CC1)Oc1ccc(c(c1)NC(=O)Cc1cccc(c1)C(F)(F)F)F" . "OJFKUJDRGJSAQB-UHFFFAOYSA-N" . "InChI=1S/C27H18F4N4O3S/c28-19-7-6-17(12-21(19)33-23(36)11-14-2-1-3-16(10-14)27(29,30)31)38-22-9-8-20-24(18(22)13-32)39-26(34-20)35-25(37)15-4-5-15/h1-3,6-10,12,15H,4-5,11H2,(H,33,36)(H,34,35,37)" . "O=C1C=C2C(=CC=C3C2(C)CCC2(C3(C)CCC3(C2CC(C)(CC3)C(=O)O)C)C)C(=C1O)C" . "O=C1C=C2C(=CC=C3[C@@]2(C)CC[C@@]2([C@]3(C)CC[C@@]3([C@H]2C[C@@](C)(CC3)C(=O)O)C)C)C(=C1O)C" . "KQJSQWZMSAGSHN-JJWQIEBTSA-N" . "InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1" . "ClCC(=O)N1CCCC1c1cccc(c1)CC(=O)Nc1cccc(c1)Cl" . "ClCC(=O)N1CCCC1c1cccc(c1)CC(=O)Nc1cccc(c1)Cl" . "ZJGDVCKAHPNDQT-UHFFFAOYSA-N" . "InChI=1S/C20H20Cl2N2O2/c21-13-20(26)24-9-3-8-18(24)15-5-1-4-14(10-15)11-19(25)23-17-7-2-6-16(22)12-17/h1-2,4-7,10,12,18H,3,8-9,11,13H2,(H,23,25)" . "C=CC(=O)N1CCN(CC1)c1ncnc2c1cc(Cl)c(c2F)c1c(O)cccc1F" . "C=CC(=O)N1CCN(CC1)c1ncnc2c1cc(Cl)c(c2F)c1c(O)cccc1F" . "ZRPZPNYZFSJUPA-UHFFFAOYSA-N" . "InChI=1S/C21H17ClF2N4O2/c1-2-16(30)27-6-8-28(9-7-27)21-12-10-13(22)17(19(24)20(12)25-11-26-21)18-14(23)4-3-5-15(18)29/h2-5,10-11,29H,1,6-9H2" . "OC(c1ccc2c(c1C)COC2=O)CN1CCN(CC1)CC(c1ccc2c(c1C)COC2=O)O" . "O[C@H](c1ccc2c(c1C)COC2=O)CN1CCN(CC1)C[C@@H](c1ccc2c(c1C)COC2=O)O" . "OCKGFTQIICXDQW-ZEQRLZLVSA-N" . "InChI=1S/C26H30N2O6/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(29)11-27-7-9-28(10-8-27)12-24(30)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24,29-30H,7-14H2,1-2H3/t23-,24-/m0/s1" . "NC(=N)NCCOC(c1ccccc1)(c1ccccc1)c1ccccc1" . "NC(=N)NCCOC(c1ccccc1)(c1ccccc1)c1ccccc1" . "FZXFGYLHTRBHNJ-UHFFFAOYSA-N" . "InChI=1S/C22H23N3O/c23-21(24)25-16-17-26-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2,(H4,23,24,25)" . "NC(=N)NCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)C(Cc1c[nH]c2c1cccc2)(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)Cc1cccs1)C" . "NC(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)Cc1cccs1)C" . "HIFICJJBGBSZMZ-YWIJTBFMSA-N" . "InChI=1S/C50H66N16O8S/c1-50(25-29-27-60-34-14-5-3-12-32(29)34,65-44(71)38(61-41(68)23-30-10-9-21-75-30)22-28-26-59-33-13-4-2-11-31(28)33)47(74)64-36(16-7-19-58-49(55)56)46(73)66-20-8-17-39(66)45(72)62-35(15-6-18-57-48(53)54)43(70)63-37(42(52)69)24-40(51)67/h2-5,9-14,21,26-27,35-39,59-60H,6-8,15-20,22-25H2,1H3,(H2,51,67)(H2,52,69)(H,61,68)(H,62,72)(H,63,70)(H,64,74)(H,65,71)(H4,53,54,57)(H4,55,56,58)/t35-,36-,37-,38-,39-,50-/m0/s1" . "CCC(Nc1nc(C)nc2n1nc(c2c1ccc(nc1C)OC)C)C" . "CC[C@H](Nc1nc(C)nc2n1nc(c2c1ccc(nc1C)OC)C)C" . "LBWQSAZEYIZZCE-SNVBAGLBSA-N" . "InChI=1S/C18H24N6O/c1-7-10(2)19-18-22-13(5)21-17-16(12(4)23-24(17)18)14-8-9-15(25-6)20-11(14)3/h8-10H,7H2,1-6H3,(H,19,21,22)/t10-/m1/s1" . "COc1ccc(c(c1)C)c1c(C)nn2c1nc(C)cc2NC(c1onc(n1)C)CC" . "COc1ccc(c(c1)C)c1c(C)nn2c1nc(C)cc2N[C@H](c1onc(n1)C)CC" . "VKHVAUKFLBBZFJ-SFHVURJKSA-N" . "InChI=1S/C22H26N6O2/c1-7-18(22-24-15(5)27-30-22)25-19-11-13(3)23-21-20(14(4)26-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,25H,7H2,1-6H3/t18-/m0/s1" . "CCC(Oc1cc(C)nc(c1C)Oc1c(C)cc(cc1C)C)CC" . "CCC(Oc1cc(C)nc(c1C)Oc1c(C)cc(cc1C)C)CC" . "ZSEJGVQTBLJRCQ-UHFFFAOYSA-N" . "InChI=1S/C21H29NO2/c1-8-18(9-2)23-19-12-16(6)22-21(17(19)7)24-20-14(4)10-13(3)11-15(20)5/h10-12,18H,8-9H2,1-7H3" . "CCC(Nc1c2CCCc2nc2n1nc(c2c1ccc(cc1Cl)OC)C)CC" . "CCC(Nc1c2CCCc2nc2n1nc(c2c1ccc(cc1Cl)OC)C)CC" . "LDIOUQIXNSSOGU-UHFFFAOYSA-N" . "InChI=1S/C22H27ClN4O/c1-5-14(6-2)24-21-17-8-7-9-19(17)25-22-20(13(3)26-27(21)22)16-11-10-15(28-4)12-18(16)23/h10-12,14,24H,5-9H2,1-4H3" . "CCCC(N1CCn2c3c1cc(C)nc3c(n2)c1ccc(cc1Cl)Cl)CCC" . "CCCC(N1CCn2c3c1cc(C)nc3c(n2)c1ccc(cc1Cl)Cl)CCC" . "AKLMUGFDGONMAA-UHFFFAOYSA-N" . "InChI=1S/C22H26Cl2N4/c1-4-6-16(7-5-2)27-10-11-28-22-19(27)12-14(3)25-21(22)20(26-28)17-9-8-15(23)13-18(17)24/h8-9,12-13,16H,4-7,10-11H2,1-3H3" . "O=C(Nc1cccc2c1cccc2)CCCn1nnc(c1)c1c(oc2c1cc(C(=O)O)c(c2)O)c1ccccc1" . "O=C(Nc1cccc2c1cccc2)CCCn1nnc(c1)c1c(oc2c1cc(C(=O)O)c(c2)O)c1ccccc1" . "RSPKMGDZBNPGGF-UHFFFAOYSA-N" . "InChI=1S/C31H24N4O5/c36-26-17-27-23(16-22(26)31(38)39)29(30(40-27)20-9-2-1-3-10-20)25-18-35(34-33-25)15-7-14-28(37)32-24-13-6-11-19-8-4-5-12-21(19)24/h1-6,8-13,16-18,36H,7,14-15H2,(H,32,37)(H,38,39)" . "CCOC(=O)c1ccc(cc1)N=C1SC(=Cc2ccc(c(c2)OC)OCc2ccc(cc2)C(=O)O)C(=O)N1C" . "CCOC(=O)c1ccc(cc1)N=C1S/C(=C/c2ccc(c(c2)OC)OCc2ccc(cc2)C(=O)O)/C(=O)N1C" . "MEYCXOYFLJPZOT-FXALAWDZSA-N" . "InChI=1S/C29H26N2O7S/c1-4-37-28(35)21-10-12-22(13-11-21)30-29-31(2)26(32)25(39-29)16-19-7-14-23(24(15-19)36-3)38-17-18-5-8-20(9-6-18)27(33)34/h5-16H,4,17H2,1-3H3,(H,33,34)/b25-16-,30-29?" . "CC1CCc2c(C1)sc1c2c(nc(n1)c1cccnc1)N1CCN(CC1)C(c1ccccc1)C(=O)N" . "CC1CCc2c(C1)sc1c2c(nc(n1)c1cccnc1)N1CCN(CC1)C(c1ccccc1)C(=O)N" . "QAWHHEOBNCCSJP-UHFFFAOYSA-N" . "InChI=1S/C28H30N6OS/c1-18-9-10-21-22(16-18)36-28-23(21)27(31-26(32-28)20-8-5-11-30-17-20)34-14-12-33(13-15-34)24(25(29)35)19-6-3-2-4-7-19/h2-8,11,17-18,24H,9-10,12-16H2,1H3,(H2,29,35)" . "CN(C(=O)c1ccc(c(c1)OC(C(F)(F)F)C)Nc1nc(OC2CCC(CC2)(C)O)c2c(n1)[nH]cc2Cl)C" . "CN(C(=O)c1ccc(c(c1)O[C@@H](C(F)(F)F)C)Nc1nc(O[C@@H]2CC[C@](CC2)(C)O)c2c(n1)[nH]cc2Cl)C" . "IUWWRSQCDUQDEZ-CAQPCFEESA-N" . "InChI=1S/C25H29ClF3N5O4/c1-13(25(27,28)29)37-18-11-14(22(35)34(3)4)5-6-17(18)31-23-32-20-19(16(26)12-30-20)21(33-23)38-15-7-9-24(2,36)10-8-15/h5-6,11-13,15,36H,7-10H2,1-4H3,(H2,30,31,32,33)/t13-,15-,24+/m1/s1" . "CC12Cc3cn[nH]c3CC1CCC1C2CCC2(C1CCC2(C)O)C" . "C[C@]12Cc3cn[nH]c3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C" . "LKAJKIOFIWVMDJ-IYRCEVNGSA-N" . "InChI=1S/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15+,16-,17-,19-,20-,21-/m0/s1" . "Fc1ccc(cc1)C(c1cnc(nc1)N1CCN(CC1)c1ncnn2c1cc(c2)c1cnn(c1)C)(N)C" . "Fc1ccc(cc1)[C@@](c1cnc(nc1)N1CCN(CC1)c1ncnn2c1cc(c2)c1cnn(c1)C)(N)C" . "DWYRIWUZIJHQKQ-SANMLTNESA-N" . "InChI=1S/C26H27FN10/c1-26(28,20-3-5-22(27)6-4-20)21-13-29-25(30-14-21)36-9-7-35(8-10-36)24-23-11-18(16-37(23)33-17-31-24)19-12-32-34(2)15-19/h3-6,11-17H,7-10,28H2,1-2H3/t26-/m0/s1" . "N#Cc1c(NC2CCCCC2N)nc(c2c1cn[nH]c2=O)Nc1cccc(c1)C" . "N#Cc1c(N[C@@H]2CCCC[C@@H]2N)nc(c2c1cn[nH]c2=O)Nc1cccc(c1)C" . "VFVLUXBYMUKJIJ-DLBZAZTESA-N" . "InChI=1S/C21H23N7O/c1-12-5-4-6-13(9-12)25-20-18-15(11-24-28-21(18)29)14(10-22)19(27-20)26-17-8-3-2-7-16(17)23/h4-6,9,11,16-17H,2-3,7-8,23H2,1H3,(H,28,29)(H2,25,26,27)/t16-,17+/m0/s1" . "O=C(Nc1ccc2c(c1)cccc2)Nc1cc(O)cc(c1)C(=O)O" . "O=C(Nc1ccc2c(c1)cccc2)Nc1cc(O)cc(c1)C(=O)O" . "XGNNCRZDDAJBFU-UHFFFAOYSA-N" . "InChI=1S/C18H14N2O4/c21-16-9-13(17(22)23)8-15(10-16)20-18(24)19-14-6-5-11-3-1-2-4-12(11)7-14/h1-10,21H,(H,22,23)(H2,19,20,24)" . "CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1ccc(cc1)c1ccc(cc1F)C(C(F)(F)F)(C(F)(F)F)O" . "CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc1ccc(cc1)c1ccc(cc1F)C(C(F)(F)F)(C(F)(F)F)O" . "AUIAOCHKUNGZHV-UHFFFAOYSA-N" . "InChI=1S/C25H20F7NO4S/c1-2-38(36,37)19-10-3-15(4-11-19)13-22(34)33-18-8-5-16(6-9-18)20-12-7-17(14-21(20)26)23(35,24(27,28)29)25(30,31)32/h3-12,14,35H,2,13H2,1H3,(H,33,34)" . "CCn1ncc(c1C)c1nc2c(n1C)ncnc2OC1CCN(C1)C(=O)C1CCOCC1" . "CCn1ncc(c1C)c1nc2c(n1C)ncnc2O[C@H]1CCN(C1)C(=O)C1CCOCC1" . "FHKPLLOSJHHKNU-INIZCTEOSA-N" . "InChI=1S/C22H29N7O3/c1-4-29-14(2)17(11-25-29)19-26-18-20(27(19)3)23-13-24-21(18)32-16-5-8-28(12-16)22(30)15-6-9-31-10-7-15/h11,13,15-16H,4-10,12H2,1-3H3/t16-/m0/s1" . "O=C(c1ccc(cc1)C(=O)Nc1cccc(c1)c1nc2c([nH]1)cccc2)Nc1cccc(c1)c1nc2c([nH]1)cccc2" . "O=C(c1ccc(cc1)C(=O)Nc1cccc(c1)c1nc2c([nH]1)cccc2)Nc1cccc(c1)c1nc2c([nH]1)cccc2" . "WSXIJTIFOWCMIQ-UHFFFAOYSA-N" . "InChI=1S/C34H24N6O2/c41-33(35-25-9-5-7-23(19-25)31-37-27-11-1-2-12-28(27)38-31)21-15-17-22(18-16-21)34(42)36-26-10-6-8-24(20-26)32-39-29-13-3-4-14-30(29)40-32/h1-20H,(H,35,41)(H,36,42)(H,37,38)(H,39,40)" . "O=C(c1cccc(n1)c1nc2c([nH]1)cccc2)N1CCN(CC1)C(=O)c1cccc(n1)c1nc2c([nH]1)cccc2" . "O=C(c1cccc(n1)c1nc2c([nH]1)cccc2)N1CCN(CC1)C(=O)c1cccc(n1)c1nc2c([nH]1)cccc2" . "MVHWZNBAQIGPOQ-UHFFFAOYSA-N" . "InChI=1S/C30H24N8O2/c39-29(25-13-5-11-23(31-25)27-33-19-7-1-2-8-20(19)34-27)37-15-17-38(18-16-37)30(40)26-14-6-12-24(32-26)28-35-21-9-3-4-10-22(21)36-28/h1-14H,15-18H2,(H,33,34)(H,35,36)" . "OC(=O)C=C(C=CC1(O)C(=CC(=O)CC1(C)C)C)C" . "OC(=O)/C=C(/C=C/C1(O)C(=CC(=O)CC1(C)C)C)/C" . "JLIDBLDQVAYHNE-LXGGSRJLSA-N" . "InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-" . "COc1cc2[nH]c3n[nH]c(c3nc(c2cc1F)c1ccccc1Cl)C" . "COc1cc2[nH]c3n[nH]c(c3nc(c2cc1F)c1ccccc1Cl)C" . "UOVCGJXDGOGOCZ-UHFFFAOYSA-N" . "InChI=1S/C18H14ClFN4O/c1-9-16-18(24-23-9)21-14-8-15(25-2)13(20)7-11(14)17(22-16)10-5-3-4-6-12(10)19/h3-8H,1-2H3,(H2,21,23,24)" . "CC(c1ncc(cn1)F)Nc1ccc2c(n1)n(cn2)c1cc([nH]n1)OC(C)C" . "C[C@@H](c1ncc(cn1)F)Nc1ccc2c(n1)n(cn2)c1cc([nH]n1)OC(C)C" . "AYOOGWWGECJQPI-NSHDSACASA-N" . "InChI=1S/C18H19FN8O/c1-10(2)28-16-6-15(25-26-16)27-9-22-13-4-5-14(24-18(13)27)23-11(3)17-20-7-12(19)8-21-17/h4-11H,1-3H3,(H,23,24)(H,25,26)/t11-/m0/s1" . "OC(=O)CCc1noc2c1cc(Cl)c(c2)OC(c1ccccn1)C" . "OC(=O)CCc1noc2c1cc(Cl)c(c2)O[C@@H](c1ccccn1)C" . "WPAHVUADNLXSOM-SNVBAGLBSA-N" . "InChI=1S/C17H15ClN2O4/c1-10(13-4-2-3-7-19-13)23-16-9-15-11(8-12(16)18)14(20-24-15)5-6-17(21)22/h2-4,7-10H,5-6H2,1H3,(H,21,22)/t10-/m1/s1" . "NCCSc1nc(NCc2ccc(cc2)c2ccccn2)c2c(n1)c(n[nH]2)C(C)C" . "NCCSc1nc(NCc2ccc(cc2)c2ccccn2)c2c(n1)c(n[nH]2)C(C)C" . "PCQPAKMJSYGXRE-UHFFFAOYSA-N" . "InChI=1S/C22H25N7S/c1-14(2)18-19-20(29-28-18)21(27-22(26-19)30-12-10-23)25-13-15-6-8-16(9-7-15)17-5-3-4-11-24-17/h3-9,11,14H,10,12-13,23H2,1-2H3,(H,28,29)(H,25,26,27)" . "C1CCC(CC1)n1cnc2c1nc(nc2Nc1ccc(cc1)N1CCOCC1)Oc1cccc2c1cccc2" . "C1CCC(CC1)n1cnc2c1nc(nc2Nc1ccc(cc1)N1CCOCC1)Oc1cccc2c1cccc2" . "FYBHCRQFSFYWPY-UHFFFAOYSA-N" . "InChI=1S/C31H32N6O2/c1-2-9-25(10-3-1)37-21-32-28-29(33-23-13-15-24(16-14-23)36-17-19-38-20-18-36)34-31(35-30(28)37)39-27-12-6-8-22-7-4-5-11-26(22)27/h4-8,11-16,21,25H,1-3,9-10,17-20H2,(H,33,34,35)" . "Fc1cc2c(cc1S(=O)(=O)Nc1ccncn1)OCCC2N1CCC(CC1c1ccccn1)C(F)(F)F" . "Fc1cc2c(cc1S(=O)(=O)Nc1ccncn1)OCC[C@@H]2N1CC[C@@H](C[C@@H]1c1ccccn1)C(F)(F)F" . "XQUOWYVEKSXNET-RYGJVYDSSA-N" . "InChI=1S/C24H23F4N5O3S/c25-17-12-16-19(33-9-5-15(24(26,27)28)11-20(33)18-3-1-2-7-30-18)6-10-36-21(16)13-22(17)37(34,35)32-23-4-8-29-14-31-23/h1-4,7-8,12-15,19-20H,5-6,9-11H2,(H,29,31,32)/t15-,19-,20+/m0/s1" . "CC1COCCN1c1cc(c2ccnn2C)c2c(n1)c(ncc2)c1ccn[nH]1" . "C[C@@H]1COCCN1c1cc(c2ccnn2C)c2c(n1)c(ncc2)c1ccn[nH]1" . "YBXRSCXGRPSTMW-CYBMUJFWSA-N" . "InChI=1S/C20H21N7O/c1-13-12-28-10-9-27(13)18-11-15(17-5-8-23-26(17)2)14-3-6-21-20(19(14)24-18)16-4-7-22-25-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,25)/t13-/m1/s1" . "O=C(C1CCCCC1C(=O)c1ccc(cc1)c1n[nH]c(c1)C)Nc1cnn2c1C(=O)NCC2" . "O=C([C@@H]1CCCC[C@H]1C(=O)c1ccc(cc1)c1n[nH]c(c1)C)Nc1cnn2c1C(=O)NCC2" . "ROTWSDMXHVGAHZ-QZTJIDSGSA-N" . "InChI=1S/C24H26N6O3/c1-14-12-19(29-28-14)15-6-8-16(9-7-15)22(31)17-4-2-3-5-18(17)23(32)27-20-13-26-30-11-10-25-24(33)21(20)30/h6-9,12-13,17-18H,2-5,10-11H2,1H3,(H,25,33)(H,27,32)(H,28,29)/t17-,18-/m1/s1" . "CCCn1c(=O)c2n3ccc(cc3nc2n(c1=O)CCCCNC(=O)c1ccc(cc1)S(=O)(=O)F)OC" . "CCCn1c(=O)c2n3ccc(cc3nc2n(c1=O)CCCCNC(=O)c1ccc(cc1)S(=O)(=O)F)OC" . "WUZBOJXXYMKMMF-UHFFFAOYSA-N" . "InChI=1S/C24H26FN5O6S/c1-3-12-30-23(32)20-21(27-19-15-17(36-2)10-14-28(19)20)29(24(30)33)13-5-4-11-26-22(31)16-6-8-18(9-7-16)37(25,34)35/h6-10,14-15H,3-5,11-13H2,1-2H3,(H,26,31)" . "Cc1cc(=O)[nH]c(n1)SCC(=O)c1cccc2c1cccc2" . "Cc1cc(=O)[nH]c(n1)SCC(=O)c1cccc2c1cccc2" . "KKPLVAUVHOSUPR-UHFFFAOYSA-N" . "InChI=1S/C17H14N2O2S/c1-11-9-16(21)19-17(18-11)22-10-15(20)14-8-4-6-12-5-2-3-7-13(12)14/h2-9H,10H2,1H3,(H,18,19,21)" . "CN(Cc1n[nH]nc1CN1CCOC(C1c1ccc(cc1)F)OC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)C" . "CN(Cc1n[nH]nc1CN1CCO[C@@H]([C@@H]1c1ccc(cc1)F)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)C" . "USRYEHHMJIRICK-ZNZBMKLDSA-N" . "InChI=1S/C26H28F7N5O2/c1-15(17-10-18(25(28,29)30)12-19(11-17)26(31,32)33)40-24-23(16-4-6-20(27)7-5-16)38(8-9-39-24)14-22-21(13-37(2)3)34-36-35-22/h4-7,10-12,15,23-24H,8-9,13-14H2,1-3H3,(H,34,35,36)/t15-,23+,24-/m1/s1" . "N#Cc1c(cccc1C(F)(F)F)Oc1cccc(c1)OS(=O)(=O)CCCC(F)(F)F" . "N#Cc1c(cccc1C(F)(F)F)Oc1cccc(c1)OS(=O)(=O)CCCC(F)(F)F" . "LWUSZIVDPJPVBW-UHFFFAOYSA-N" . "InChI=1S/C18H13F6NO4S/c19-17(20,21)8-3-9-30(26,27)29-13-5-1-4-12(10-13)28-16-7-2-6-15(14(16)11-25)18(22,23)24/h1-2,4-7,10H,3,8-9H2" . "OC(=O)CC1=C(C)C(=Cc2ccc(cc2)C(C)C)c2c1cc(F)cc2" . "OC(=O)CC1=C(C)/C(=C/c2ccc(cc2)C(C)C)/c2c1cc(F)cc2" . "QCXBVGNDRYQVJO-GRSHGNNSSA-N" . "InChI=1S/C22H21FO2/c1-13(2)16-6-4-15(5-7-16)10-19-14(3)20(12-22(24)25)21-11-17(23)8-9-18(19)21/h4-11,13H,12H2,1-3H3,(H,24,25)/b19-10-" . "OC(=O)CCSC(c1cccc(c1)C=Cc1ccc2c(n1)cc(cc2)Cl)SCCC(=O)N(C)C" . "OC(=O)CCSC(c1cccc(c1)/C=C/c1ccc2c(n1)cc(cc2)Cl)SCCC(=O)N(C)C" . "AXUZQJFHDNNPFG-UXBLZVDNSA-N" . "InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+" . "ClC1=C(N2CCOCC2)C(=O)c2c(C1=O)c(O)ccc2O" . "ClC1=C(N2CCOCC2)C(=O)c2c(C1=O)c(O)ccc2O" . "FTMCZTSKCXEXCO-UHFFFAOYSA-N" . "InChI=1S/C14H12ClNO5/c15-11-12(16-3-5-21-6-4-16)14(20)10-8(18)2-1-7(17)9(10)13(11)19/h1-2,17-18H,3-6H2" . "COc1ccc2c(c1)c(Cc1nonc1O)c(n2C(=O)c1ccccc1)C" . "COc1ccc2c(c1)c(Cc1nonc1O)c(n2C(=O)c1ccccc1)C" . "DKXLGDJKCXEKTB-UHFFFAOYSA-N" . "InChI=1S/C20H17N3O4/c1-12-15(11-17-19(24)22-27-21-17)16-10-14(26-2)8-9-18(16)23(12)20(25)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,22,24)" . "Brc1cnc(nc1NCc1ccc(cc1)S(=O)(=O)N)Nc1cn(nc1C)CC(F)(F)F" . "Brc1cnc(nc1NCc1ccc(cc1)S(=O)(=O)N)Nc1cn(nc1C)CC(F)(F)F" . "FFPHMUIGESPOTK-UHFFFAOYSA-N" . "InChI=1S/C17H17BrF3N7O2S/c1-10-14(8-28(27-10)9-17(19,20)21)25-16-24-7-13(18)15(26-16)23-6-11-2-4-12(5-3-11)31(22,29)30/h2-5,7-8H,6,9H2,1H3,(H2,22,29,30)(H2,23,24,25,26)" . "NC(Cc1ccccc1)COC(=O)N" . "N[C@H](Cc1ccccc1)COC(=O)N" . "UCTRAOBQFUDCSR-SECBINFHSA-N" . "InChI=1S/C10H14N2O2/c11-9(7-14-10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H2,12,13)/t9-/m1/s1" . "O=C(c1ccc(cc1)C(=O)N1CC(C(C1)C(=O)NC1CC1c1ccccc1)C(=O)NC1CC1c1ccccc1)N1CC(C(C1)C(=O)NC1CC1c1ccccc1)C(=O)NC1CC1c1ccccc1" . "O=C(c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)N1C[C@H]([C@@H](C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1" . "ABZBNXFGYUSVCJ-UYMKNZQYSA-N" . "InChI=1S/C56H56N6O6/c63-51(57-47-25-39(47)33-13-5-1-6-14-33)43-29-61(30-44(43)52(64)58-48-26-40(48)34-15-7-2-8-16-34)55(67)37-21-23-38(24-22-37)56(68)62-31-45(53(65)59-49-27-41(49)35-17-9-3-10-18-35)46(32-62)54(66)60-50-28-42(50)36-19-11-4-12-20-36/h1-24,39-50H,25-32H2,(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49+,50+/m1/s1" . "N#Cc1cc2C(=O)OCc2nc1N1CCC(CC1)(C)C(=O)NS(=O)(=O)Cc1ccc(cc1)C" . "N#Cc1cc2C(=O)OCc2nc1N1CCC(CC1)(C)C(=O)NS(=O)(=O)Cc1ccc(cc1)C" . "UDMPNYKEHCRGIV-UHFFFAOYSA-N" . "InChI=1S/C23H24N4O5S/c1-15-3-5-16(6-4-15)14-33(30,31)26-22(29)23(2)7-9-27(10-8-23)20-17(12-24)11-18-19(25-20)13-32-21(18)28/h3-6,11H,7-10,13-14H2,1-2H3,(H,26,29)" . "COc1cc(Nc2ccc3c(n2)ccc(c3)S(=O)(=O)N2CCCCC2C)cc(c1OC)OC" . "COc1cc(Nc2ccc3c(n2)ccc(c3)S(=O)(=O)N2CCCCC2C)cc(c1OC)OC" . "AMPNVQJPVKIKEY-UHFFFAOYSA-N" . "InChI=1S/C24H29N3O5S/c1-16-7-5-6-12-27(16)33(28,29)19-9-10-20-17(13-19)8-11-23(26-20)25-18-14-21(30-2)24(32-4)22(15-18)31-3/h8-11,13-16H,5-7,12H2,1-4H3,(H,25,26)" . "O=C1CCc2c(N1)ccc(c2)c1csc(n1)NC(=O)c1ccc(cc1)n1cnc2c1cccc2" . "O=C1CCc2c(N1)ccc(c2)c1csc(n1)NC(=O)c1ccc(cc1)n1cnc2c1cccc2" . "DXSMYUKZPWJQFM-UHFFFAOYSA-N" . "InChI=1S/C26H19N5O2S/c32-24-12-8-17-13-18(7-11-20(17)28-24)22-14-34-26(29-22)30-25(33)16-5-9-19(10-6-16)31-15-27-21-3-1-2-4-23(21)31/h1-7,9-11,13-15H,8,12H2,(H,28,32)(H,29,30,33)" . "CN(CCOC(c1ccc(cc1)Br)c1ccccc1)C" . "CN(CCOC(c1ccc(cc1)Br)c1ccccc1)C" . "NUNIWXHYABYXKF-UHFFFAOYSA-N" . "InChI=1S/C17H20BrNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3" . "CN(CCNc1ccnc2c1ccc(c2)Cl)CCNc1ccnc2c1ccc(c2)Cl" . "CN(CCNc1ccnc2c1ccc(c2)Cl)CCNc1ccnc2c1ccc(c2)Cl" . "WDGQVCRQXSYPCW-UHFFFAOYSA-N" . "InChI=1S/C23H23Cl2N5/c1-30(12-10-28-20-6-8-26-22-14-16(24)2-4-18(20)22)13-11-29-21-7-9-27-23-15-17(25)3-5-19(21)23/h2-9,14-15H,10-13H2,1H3,(H,26,28)(H,27,29)" . "FC(C(C(F)(F)F)(c1ccc(cc1)Oc1ccc(cc1)N)c1ccc(cc1)Oc1ccc(cc1)N)(F)F" . "FC(C(C(F)(F)F)(c1ccc(cc1)Oc1ccc(cc1)N)c1ccc(cc1)Oc1ccc(cc1)N)(F)F" . "HHLMWQDRYZAENA-UHFFFAOYSA-N" . "InChI=1S/C27H20F6N2O2/c28-26(29,30)25(27(31,32)33,17-1-9-21(10-2-17)36-23-13-5-19(34)6-14-23)18-3-11-22(12-4-18)37-24-15-7-20(35)8-16-24/h1-16H,34-35H2" . "C1CCc2c(C1)c(ccc2)Nc1ccccc1c1n[nH]nn1" . "C1CCc2c(C1)c(ccc2)Nc1ccccc1c1n[nH]nn1" . "YYNRZIFBTOUICE-UHFFFAOYSA-N" . "InChI=1S/C17H17N5/c1-2-8-13-12(6-1)7-5-11-15(13)18-16-10-4-3-9-14(16)17-19-21-22-20-17/h3-5,7,9-11,18H,1-2,6,8H2,(H,19,20,21,22)" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC1=O)CC(=O)N)CC(=O)N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(CC)C)C(=O)N)(CC(C)C)C)CC(=O)O)CC(C)C)CC(C)C)CC(C)C)C)CCC(=O)N)CCC(=O)N)CCCCN)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)O)CC(C)C)CO)Cc1ccccc1)Cc1c[nH]cn1)(CC(C)C)C)CC(C)C)CCCNC(=N)N)CCCCN)CCCC)CCC(=O)O)CCC(=O)O)CCCCN)CCC(=O)N)CCC(=O)O" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(=O)N)CC(=O)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@](C(=O)N[C@@H]([C@H](CC)C)C(=O)N)(CC(C)C)C)CC(=O)O)CC(C)C)CC(C)C)CC(C)C)C)CCC(=O)N)CCC(=O)N)CCCCN)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC(=O)O)CC(C)C)CO)Cc1ccccc1)Cc1c[nH]cn1)(CC(C)C)C)CC(C)C)CCCNC(=N)N)CCCCN)CCCC)CCC(=O)O)CCC(=O)O)CCCCN)CCC(=O)N)CCC(=O)O" . "IVIBPRHVUKMKSX-YJHXGIRISA-N" . "InChI=1S/C183H307N49O53/c1-26-30-47-106(203-151(256)107(48-34-39-70-184)204-155(260)112(53-44-75-198-181(194)195)209-169(274)125(80-96(13)14)227-179(284)182(24,87-97(15)16)231-175(280)127(82-105-89-196-91-199-105)222-170(275)126(81-104-45-32-31-33-46-104)221-174(279)132(90-233)226-168(273)124(79-95(11)12)220-173(278)130(85-143(249)250)201-103(23)234)163(268)228-146(100(20)28-3)178(283)216-120(61-69-142(247)248)164(269)229-147(101(21)29-4)177(282)215-119(60-68-141(245)246)161(266)207-109(50-36-41-72-186)153(258)212-115(56-64-135(190)237)158(263)214-118(59-67-140(243)244)160(265)206-110(51-37-42-73-187)154(259)213-117(58-66-139(241)242)159(264)205-108(49-35-40-71-185)152(257)211-114(55-63-134(189)236)157(262)210-113(54-62-133(188)235)150(255)200-102(22)149(254)202-116-57-65-138(240)197-74-43-38-52-111(208-171(276)128(83-136(191)238)224-172(277)129(84-137(192)239)223-162(116)267)156(261)217-121(76-92(5)6)165(270)218-122(77-93(7)8)166(271)219-123(78-94(9)10)167(272)225-131(86-144(251)252)176(281)232-183(25,88-98(17)18)180(285)230-145(148(193)253)99(19)27-2/h31-33,45-46,89,91-102,106-132,145-147,233H,26-30,34-44,47-88,90,184-187H2,1-25H3,(H2,188,235)(H2,189,236)(H2,190,237)(H2,191,238)(H2,192,239)(H2,193,253)(H,196,199)(H,197,240)(H,200,255)(H,201,234)(H,202,254)(H,203,256)(H,204,260)(H,205,264)(H,206,265)(H,207,266)(H,208,276)(H,209,274)(H,210,262)(H,211,257)(H,212,258)(H,213,259)(H,214,263)(H,215,282)(H,216,283)(H,217,261)(H,218,270)(H,219,271)(H,220,278)(H,221,279)(H,222,275)(H,223,267)(H,224,277)(H,225,272)(H,226,273)(H,227,284)(H,228,268)(H,229,269)(H,230,285)(H,231,280)(H,232,281)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H4,194,195,198)/t99-,100-,101-,102-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126+,127-,128-,129-,130-,131-,132-,145-,146-,147-,182+,183+/m0/s1" . "CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C" . "CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C" . "KSWYJUIFHPSZOL-UHFFFAOYSA-N" . "InChI=1S/C27H29N5O/c1-27(2,33)21-12-13-25(28-19-21)31-14-16-32(17-15-31)26-23-11-7-6-10-22(23)24(29-30-26)18-20-8-4-3-5-9-20/h3-13,19,33H,14-18H2,1-2H3" . "Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C" . "Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C" . "SZBGQDXLNMELTB-UHFFFAOYSA-N" . "InChI=1S/C26H24F4N6O/c1-34(25(37)20-8-7-16(27)15-21(20)26(28,29)30)17-10-13-36(14-11-17)24-19-6-4-3-5-18(19)23(32-33-24)22-9-12-31-35(22)2/h3-9,12,15,17H,10-11,13-14H2,1-2H3" . "COc1cc(cc(c1OC)OC)C(=O)NC(=N)Nc1ccc(c(c1)NC(=O)c1ccc(cc1)CCc1ccccc1)C" . "COc1cc(cc(c1OC)OC)C(=O)NC(=N)Nc1ccc(c(c1)NC(=O)c1ccc(cc1)CCc1ccccc1)C" . "TVUOHEUCOWBVRU-UHFFFAOYSA-N" . "InChI=1S/C33H34N4O5/c1-21-10-17-26(35-33(34)37-32(39)25-18-28(40-2)30(42-4)29(19-25)41-3)20-27(21)36-31(38)24-15-13-23(14-16-24)12-11-22-8-6-5-7-9-22/h5-10,13-20H,11-12H2,1-4H3,(H,36,38)(H3,34,35,37,39)" . "CCOc1c(OCC)cc(cc1OCC)C(=O)Nc1ccc(c(c1)c1nc2c([nH]1)cccc2)Cl" . "CCOc1c(OCC)cc(cc1OCC)C(=O)Nc1ccc(c(c1)c1nc2c([nH]1)cccc2)Cl" . "VQOJFGFKIVFMDH-UHFFFAOYSA-N" . "InChI=1S/C26H26ClN3O4/c1-4-32-22-13-16(14-23(33-5-2)24(22)34-6-3)26(31)28-17-11-12-19(27)18(15-17)25-29-20-9-7-8-10-21(20)30-25/h7-15H,4-6H2,1-3H3,(H,28,31)(H,29,30)" . "Cc1nn(c(c1C=NN1CCN(CC1)Cc1ccccc1)C)c1ccccc1" . "Cc1nn(c(c1/C=N/N1CCN(CC1)Cc1ccccc1)C)c1ccccc1" . "FOORCIAZMIWALX-JJIBRWJFSA-N" . "InChI=1S/C23H27N5/c1-19-23(20(2)28(25-19)22-11-7-4-8-12-22)17-24-27-15-13-26(14-16-27)18-21-9-5-3-6-10-21/h3-12,17H,13-16,18H2,1-2H3/b24-17+" . "CC1CN(CCNC(=O)CCCCCNC(=O)CCc2ccccc2)C2C(C1)OC1(C2C)CCC2C(=C1C)CC1C2CC=C2C1(C)CCC(=O)C2" . "CC1CN(CCNC(=O)CCCCCNC(=O)CCc2ccccc2)C2C(C1)OC1(C2C)CCC2C(=C1C)CC1C2CC=C2C1(C)CCC(=O)C2" . "WDHRPWOAMDJICD-UHFFFAOYSA-N" . "InChI=1S/C44H63N3O4/c1-29-25-39-42(47(28-29)24-23-46-40(49)13-9-6-10-22-45-41(50)17-14-32-11-7-5-8-12-32)31(3)44(51-39)21-19-35-36-16-15-33-26-34(48)18-20-43(33,4)38(36)27-37(35)30(44)2/h5,7-8,11-12,15,29,31,35-36,38-39,42H,6,9-10,13-14,16-28H2,1-4H3,(H,45,50)(H,46,49)" . "OC1CCC2(C(=CCC3C2CC2=C(C)C4(CCC32)OC2C(C4C)NCC(C2)C)C1)C" . "O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C" . "QASFUMOKHFSJGL-LAFRSMQTSA-N" . "InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1" . "CNC1CCC(CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1" . "CNC1CCC(CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1" . "VFSUUTYAEQOIMW-UHFFFAOYSA-N" . "InChI=1S/C28H28ClN3OS/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20/h2-8,13-17,22-23,30H,9-12,18H2,1H3" . "CCCCCCn1c(=O)c(C(=O)Nc2ccc(cc2)C(=O)OCCC)c(c2c1cccc2)O" . "CCCCCCn1c(=O)c(C(=O)Nc2ccc(cc2)C(=O)OCCC)c(c2c1cccc2)O" . "MDLUYYGRCGDKGL-UHFFFAOYSA-N" . "InChI=1S/C26H30N2O5/c1-3-5-6-9-16-28-21-11-8-7-10-20(21)23(29)22(25(28)31)24(30)27-19-14-12-18(13-15-19)26(32)33-17-4-2/h7-8,10-15,29H,3-6,9,16-17H2,1-2H3,(H,27,30)" . "N#Cc1cnn2c1c(cc(c2)OCC(O)(C)C)c1ccc(nc1)N1CC2CC(C1)N2Cc1ccc(nc1)OC" . "N#Cc1cnn2c1c(cc(c2)OCC(O)(C)C)c1ccc(nc1)N1CC2CC(C1)N2Cc1ccc(nc1)OC" . "XIIOFHFUYBLOLW-UHFFFAOYSA-N" . "InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3" . "c1ccc2c(c1)[nH]c1c2ccnc1" . "c1ccc2c(c1)[nH]c1c2ccnc1" . "AIFRHYZBTHREPW-UHFFFAOYSA-N" . "InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H" . "Cc1[nH]ncc1c1sc2c(c1)nc([nH]c2=O)C1CC2CCN1CC2" . "Cc1[nH]ncc1c1sc2c(c1)nc([nH]c2=O)[C@@H]1CC2CCN1CC2" . "XGVXKJKTISMIOW-ZDUSSCGKSA-N" . "InChI=1S/C17H19N5OS/c1-9-11(8-18-21-9)14-7-12-15(24-14)17(23)20-16(19-12)13-6-10-2-4-22(13)5-3-10/h7-8,10,13H,2-6H2,1H3,(H,18,21)(H,19,20,23)/t13-/m0/s1" . "CC1CNC(=O)c2cnn3c2nc(NC(c2c(O1)ccc(c2)F)C)cc3" . "C[C@H]1CNC(=O)c2cnn3c2nc(N[C@@H](c2c(O1)ccc(c2)F)C)cc3" . "FIKPXCOQUIZNHB-WDEREUQCSA-N" . "InChI=1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11+/m0/s1" . "OC(=O)CNc1cccc(n1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1" . "OC(=O)CNc1cccc(n1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1" . "YHGSTSNEOJUIRN-UHFFFAOYSA-N" . "InChI=1S/C23H22N6O4S/c30-23(31)15-25-22-6-1-4-19(27-22)17-28(34(32,33)21-5-2-11-24-14-21)16-18-7-9-20(10-8-18)29-13-3-12-26-29/h1-14H,15-17H2,(H,25,27)(H,30,31)" . "CC1CCc2ncc(cc2C2CCCN2c2nc3c(C(=O)N1)cnn3cc2)F" . "C[C@@H]1CCc2ncc(cc2[C@H]2CCCN2c2nc3c(C(=O)N1)cnn3cc2)F" . "OEBIHOVSAMBXIB-SJKOYZFVSA-N" . "InChI=1S/C20H21FN6O/c1-12-4-5-16-14(9-13(21)10-22-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(11-23-27)20(28)24-12/h6,8-12,17H,2-5,7H2,1H3,(H,24,28)/t12-,17-/m1/s1" . "CC(N1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n1c(c2)C(=O)NCC21CCCCC2)C" . "CC(N1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n1c(c2)C(=O)NCC21CCCCC2)C" . "YPJRHEKCFKOVRT-UHFFFAOYSA-N" . "InChI=1S/C26H34N8O/c1-18(2)32-10-12-33(13-11-32)20-6-7-22(27-16-20)30-25-28-15-19-14-21-24(35)29-17-26(8-4-3-5-9-26)34(21)23(19)31-25/h6-7,14-16,18H,3-5,8-13,17H2,1-2H3,(H,29,35)(H,27,28,30,31)" . "NCc1cc(C)c(c(c1)C)NC(=O)c1ccc(o1)c1cc(Cl)ccc1Cl" . "NCc1cc(C)c(c(c1)C)NC(=O)c1ccc(o1)c1cc(Cl)ccc1Cl" . "QWJOPXDAQCDRRM-UHFFFAOYSA-N" . "InChI=1S/C20H18Cl2N2O2/c1-11-7-13(10-23)8-12(2)19(11)24-20(25)18-6-5-17(26-18)15-9-14(21)3-4-16(15)22/h3-9H,10,23H2,1-2H3,(H,24,25)" . "COCCN=C1SC(=Cc2cc(n(c2C)c2ccc(cc2F)F)C)C(=O)N1C" . "COCCN=C1S/C(=C/c2cc(n(c2C)c2ccc(cc2F)F)C)/C(=O)N1C" . "BKQZKTRCUAWRHT-ONBPWHQPSA-N" . "InChI=1S/C20H21F2N3O2S/c1-12-9-14(13(2)25(12)17-6-5-15(21)11-16(17)22)10-18-19(26)24(3)20(28-18)23-7-8-27-4/h5-6,9-11H,7-8H2,1-4H3/b18-10-,23-20?" . "Clc1ccc(cc1)NNC(=Nc1ccc(cc1)Cl)C(=O)C(C)(C)C" . "Clc1ccc(cc1)NNC(=Nc1ccc(cc1)Cl)C(=O)C(C)(C)C" . "XONRRGIRSGNWFP-UHFFFAOYSA-N" . "InChI=1S/C18H19Cl2N3O/c1-18(2,3)16(24)17(21-14-8-4-12(19)5-9-14)23-22-15-10-6-13(20)7-11-15/h4-11,22H,1-3H3,(H,21,23)" . "N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CCC2NCCC(=O)O" . "N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CCC2NCCC(=O)O" . "WNDDDFYFTSGSEC-UHFFFAOYSA-N" . "InChI=1S/C24H24N4O4/c1-14(2)31-21-9-6-15(12-16(21)13-25)24-27-23(28-32-24)19-5-3-4-18-17(19)7-8-20(18)26-11-10-22(29)30/h3-6,9,12,14,20,26H,7-8,10-11H2,1-2H3,(H,29,30)" . "NC(=N)c1ccc(cc1)NN=Nc1ccc(cc1)C(=N)N" . "NC(=N)c1ccc(cc1)NN=Nc1ccc(cc1)C(=N)N" . "XNYZHCFCZNMTFY-UHFFFAOYSA-N" . "InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)" . "CC(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)C" . "CC(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)C" . "KORKKQLDGMHNKO-UHFFFAOYSA-N" . "InChI=1S/C21H23F3N4O5S/c1-14(2)26-9-11-27(12-10-26)34(32,33)17-6-4-16(5-7-17)25-20(29)18-8-3-15(21(22,23)24)13-19(18)28(30)31/h3-8,13-14H,9-12H2,1-2H3,(H,25,29)" . "OCCCn1c(=O)c2n(Cc3ccc(cc3)Cl)c(nc2n(c1=O)C)Oc1cccc(c1)Cl" . "OCCCn1c(=O)c2n(Cc3ccc(cc3)Cl)c(nc2n(c1=O)C)Oc1cccc(c1)Cl" . "VYJPVPHNGWEIBT-UHFFFAOYSA-N" . "InChI=1S/C22H20Cl2N4O4/c1-26-19-18(20(30)27(22(26)31)10-3-11-29)28(13-14-6-8-15(23)9-7-14)21(25-19)32-17-5-2-4-16(24)12-17/h2,4-9,12,29H,3,10-11,13H2,1H3" . "OCC1(O)COC(C1O)OCC1OC(OCCc2ccc(c(c2)O)O)C(C(C1OC(=O)C=Cc1ccc(c(c1)O)O)OC1OC(C)C(C(C1O)O)O)O" . "OC[C@@]1(O)CO[C@H]([C@@H]1O)OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O" . "JMBINOWGIHWPJI-UNSOMVRXSA-N" . "InChI=1S/C34H44O19/c1-15-24(41)25(42)26(43)32(50-15)53-29-27(44)31(47-9-8-17-3-6-19(37)21(39)11-17)51-22(12-48-33-30(45)34(46,13-35)14-49-33)28(29)52-23(40)7-4-16-2-5-18(36)20(38)10-16/h2-7,10-11,15,22,24-33,35-39,41-46H,8-9,12-14H2,1H3/b7-4+/t15-,22+,24-,25+,26+,27+,28+,29+,30-,31+,32-,33+,34+/m0/s1" . "COc1ccc2c(c1CC=C(C)C)oc(=O)cc2" . "COc1ccc2c(c1CC=C(C)C)oc(=O)cc2" . "MBRLOUHOWLUMFF-UHFFFAOYSA-N" . "InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3" . "Fc1ccc(cc1)C(N(C(=O)c1cnc2c(c1)cccc2)Cc1cccc(c1)C(=O)O)C" . "Fc1ccc(cc1)[C@H](N(C(=O)c1cnc2c(c1)cccc2)Cc1cccc(c1)C(=O)O)C" . "BXNMZRPTQFVRFA-QGZVFWFLSA-N" . "InChI=1S/C26H21FN2O3/c1-17(19-9-11-23(27)12-10-19)29(16-18-5-4-7-21(13-18)26(31)32)25(30)22-14-20-6-2-3-8-24(20)28-15-22/h2-15,17H,16H2,1H3,(H,31,32)/t17-/m1/s1" . "COc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O" . "COc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O" . "HMUJXQRRKBLVOO-AWEZNQCLSA-N" . "InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1" . "CC1ON=C(C1)NC(=O)C(N1CCCc2c1cccc2)c1ccccc1" . "CC1ON=C(C1)NC(=O)C(N1CCCc2c1cccc2)c1ccccc1" . "DBBFLQPLKOEUQN-UHFFFAOYSA-N" . "InChI=1S/C21H23N3O2/c1-15-14-19(23-26-15)22-21(25)20(17-9-3-2-4-10-17)24-13-7-11-16-8-5-6-12-18(16)24/h2-6,8-10,12,15,20H,7,11,13-14H2,1H3,(H,22,23,25)" . "[O-]C(=O)CC(C(=O)[O-])NC(=O)c1cccc(n1)c1ccc(cc1)OC(F)(F)F" . "[O-]C(=O)C[C@@H](C(=O)[O-])NC(=O)c1cccc(n1)c1ccc(cc1)OC(F)(F)F" . "TUTOXIPIHTUWDS-ZDUSSCGKSA-L" . "InChI=1S/C17H13F3N2O6/c18-17(19,20)28-10-6-4-9(5-7-10)11-2-1-3-12(21-11)15(25)22-13(16(26)27)8-14(23)24/h1-7,13H,8H2,(H,22,25)(H,23,24)(H,26,27)/p-2/t13-/m0/s1" . "C=CC(OC(=O)C)(CCC1C(=C)CC(C2C1(C)CCCC2(C)C)OC(=O)C)C" . "C=CC(OC(=O)C)(CCC1C(=C)CC(C2C1(C)CCCC2(C)C)OC(=O)C)C" . "CFEOXVWJRPHLSF-UHFFFAOYSA-N" . "InChI=1S/C24H38O4/c1-9-23(7,28-18(4)26)14-11-19-16(2)15-20(27-17(3)25)21-22(5,6)12-10-13-24(19,21)8/h9,19-21H,1-2,10-15H2,3-8H3" . "O=C(c1ccc(o1)c1ccc(cc1)F)NC(C(=O)O)CC(=O)O" . "O=C(c1ccc(o1)c1ccc(cc1)F)N[C@H](C(=O)O)CC(=O)O" . "DXDJHKUZMNAXTM-JTQLQIEISA-N" . "InChI=1S/C15H12FNO6/c16-9-3-1-8(2-4-9)11-5-6-12(23-11)14(20)17-10(15(21)22)7-13(18)19/h1-6,10H,7H2,(H,17,20)(H,18,19)(H,21,22)/t10-/m0/s1" . "O=CC1C(=CCC2C1(C)CCCC2(C)C)C=O" . "O=C[C@H]1C(=CC[C@@H]2[C@]1(C)CCCC2(C)C)C=O" . "AZJUJOFIHHNCSV-KCQAQPDRSA-N" . "InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)12(10-17)11(9-16)5-6-13(14)15/h5,9-10,12-13H,4,6-8H2,1-3H3/t12-,13-,15+/m0/s1" . "Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1Br" . "Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1Br" . "OVIAJBSVWWYJSD-UHFFFAOYSA-N" . "InChI=1S/C15H9BrO5/c16-9-4-2-1-3-8(9)15-14(20)13(19)12-10(18)5-7(17)6-11(12)21-15/h1-6,17-18,20H" . "OCCCn1c(=O)c2n(Cc3ccc(cc3)Cl)c(nc2n(c1=O)C)Oc1cccc(c1)OC(F)(F)F" . "OCCCn1c(=O)c2n(Cc3ccc(cc3)Cl)c(nc2n(c1=O)C)Oc1cccc(c1)OC(F)(F)F" . "PRJHEJGMSOBHTO-UHFFFAOYSA-N" . "InChI=1S/C23H20ClF3N4O5/c1-29-19-18(20(33)30(22(29)34)10-3-11-32)31(13-14-6-8-15(24)9-7-14)21(28-19)35-16-4-2-5-17(12-16)36-23(25,26)27/h2,4-9,12,32H,3,10-11,13H2,1H3" . "c1ccc(cc1)Cn1c(NCc2ccco2)nc2c1cccc2" . "c1ccc(cc1)Cn1c(NCc2ccco2)nc2c1cccc2" . "OECUWHDVQIITIS-UHFFFAOYSA-N" . "InChI=1S/C19H17N3O/c1-2-7-15(8-3-1)14-22-18-11-5-4-10-17(18)21-19(22)20-13-16-9-6-12-23-16/h1-12H,13-14H2,(H,20,21)" . "O=C(CCC1=Nc2cc(C)ccc2S(=O)(=O)N1)NCCCOC12CC3CC(C2)CC(C1)C3" . "O=C(CCC1=Nc2cc(C)ccc2S(=O)(=O)N1)NCCCOC12CC3CC(C2)CC(C1)C3" . "YXADKMPRWFBOHW-UHFFFAOYSA-N" . "InChI=1S/C24H33N3O4S/c1-16-3-4-21-20(9-16)26-22(27-32(21,29)30)5-6-23(28)25-7-2-8-31-24-13-17-10-18(14-24)12-19(11-17)15-24/h3-4,9,17-19H,2,5-8,10-15H2,1H3,(H,25,28)(H,26,27)" . "CCCCNc1nc2c([nH]1)cccc2" . "CCCCNc1nc2c([nH]1)cccc2" . "OKKUCNXCFWODOE-UHFFFAOYSA-N" . "InChI=1S/C11H15N3/c1-2-3-8-12-11-13-9-6-4-5-7-10(9)14-11/h4-7H,2-3,8H2,1H3,(H2,12,13,14)" . "CCC(=CC(=O)OC1C(C)CC2OC1(O)C(O)C1(C)CCC(O1)C(C=CC(C2=O)C)(C)C)C" . "CC/C(=C/C(=O)O[C@@H]1[C@H](C)C[C@H]2O[C@]1(O)[C@@H](O)[C@@]1(C)CC[C@H](O1)C(/C=C/[C@@H](C2=O)C)(C)C)/C" . "YMEAIOHYSIGDJY-VDLZEVDKSA-N" . "InChI=1S/C26H40O7/c1-8-15(2)13-20(27)31-22-17(4)14-18-21(28)16(3)9-11-24(5,6)19-10-12-25(7,33-19)23(29)26(22,30)32-18/h9,11,13,16-19,22-23,29-30H,8,10,12,14H2,1-7H3/b11-9-,15-13+/t16-,17+,18+,19-,22+,23-,25+,26-/m0/s1" . "CC1CCCN(C1C)C(=O)c1nc(sc1C)Nc1ccc(cc1F)Cl" . "C[C@H]1CCCN([C@H]1C)C(=O)c1nc(sc1C)Nc1ccc(cc1F)Cl" . "ODUIXUGXPFKQLG-QWRGUYRKSA-N" . "InChI=1S/C18H21ClFN3OS/c1-10-5-4-8-23(11(10)2)17(24)16-12(3)25-18(22-16)21-15-7-6-13(19)9-14(15)20/h6-7,9-11H,4-5,8H2,1-3H3,(H,21,22)/t10-,11-/m0/s1" . "N#Cc1ccc(c(c1)Cl)OC1C(Cc2c1cccc2)N1CCCC(C1)N" . "N#Cc1ccc(c(c1)Cl)O[C@H]1[C@@H](Cc2c1cccc2)N1CCC[C@H](C1)N" . "RLKRLNQEXBPQGQ-OZOXKJRCSA-N" . "InChI=1S/C21H22ClN3O/c22-18-10-14(12-23)7-8-20(18)26-21-17-6-2-1-4-15(17)11-19(21)25-9-3-5-16(24)13-25/h1-2,4,6-8,10,16,19,21H,3,5,9,11,13,24H2/t16-,19-,21-/m1/s1" . "Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)n1nc(cc1C(F)(F)F)C(F)(F)F" . "Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)n1nc(cc1C(F)(F)F)C(F)(F)F" . "CVALMMCIOLXHDM-UHFFFAOYSA-N" . "InChI=1S/C18H13F6N3O2S/c1-11-2-8-14(9-3-11)30(28,29)26-12-4-6-13(7-5-12)27-16(18(22,23)24)10-15(25-27)17(19,20)21/h2-10,26H,1H3" . "CCOC(=O)N1CCC(CC1)c1cc(O)n2c(n1)c(c1ccc(cc1)C(F)(F)F)c(n2)C" . "CCOC(=O)N1CCC(CC1)c1cc(O)n2c(n1)c(c1ccc(cc1)C(F)(F)F)c(n2)C" . "JCCIFATWQJZIDU-UHFFFAOYSA-N" . "InChI=1S/C22H23F3N4O3/c1-3-32-21(31)28-10-8-14(9-11-28)17-12-18(30)29-20(26-17)19(13(2)27-29)15-4-6-16(7-5-15)22(23,24)25/h4-7,12,14,30H,3,8-11H2,1-2H3" . "CNC(=O)[C@H](N1CCc2c([C@@H]1CCc1ccc(nc1)C(F)(F)F)cc(c(c2)OC)OC)c1ccccc1" . "CNC(=O)[C@H](N1CCc2c([C@@H]1CCc1ccc(nc1)C(F)(F)F)cc(c(c2)OC)OC)c1ccccc1" . "FIINKDGVMNTVCW-BKMJKUGQSA-N" . "InChI=1S/C28H30F3N3O3/c1-32-27(35)26(19-7-5-4-6-8-19)34-14-13-20-15-23(36-2)24(37-3)16-21(20)22(34)11-9-18-10-12-25(33-17-18)28(29,30)31/h4-8,10,12,15-17,22,26H,9,11,13-14H2,1-3H3,(H,32,35)/t22-,26+/m0/s1" . "Clc1ccc2c(c1)c(C1=CCNCC1)c([nH]2)C" . "Clc1ccc2c(c1)c(C1=CCNCC1)c([nH]2)C" . "BPPGPYJBCVXILI-UHFFFAOYSA-N" . "InChI=1S/C14H15ClN2/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9/h2-4,8,16-17H,5-7H2,1H3" . "COc1ccc(cc1)Nc1scc(n1)C(=O)N1CCc2c(C1)cccc2" . "COc1ccc(cc1)Nc1scc(n1)C(=O)N1CCc2c(C1)cccc2" . "NTXBDULODNTCKP-UHFFFAOYSA-N" . "InChI=1S/C20H19N3O2S/c1-25-17-8-6-16(7-9-17)21-20-22-18(13-26-20)19(24)23-11-10-14-4-2-3-5-15(14)12-23/h2-9,13H,10-12H2,1H3,(H,21,22)" . "O=C(c1cc2c(s1)CCCCC2)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2" . "O=C(c1cc2c(s1)CCCCC2)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2" . "AXWRAIIIBRLXBP-UHFFFAOYSA-N" . "InChI=1S/C22H25N3O2S/c26-21(20-14-15-6-2-1-3-9-19(15)28-20)24-12-10-16(11-13-24)25-18-8-5-4-7-17(18)23-22(25)27/h4-5,7-8,14,16H,1-3,6,9-13H2,(H,23,27)" . "COc1ccc(cc1S(=O)(=O)Nc1cccc(c1)NCCNC(=O)c1ccccc1N(C)C)c1cccc(c1)C(=O)N(C)C" . "COc1ccc(cc1S(=O)(=O)Nc1cccc(c1)NCCNC(=O)c1ccccc1N(C)C)c1cccc(c1)C(=O)N(C)C" . "BXJSAMKIFDDLGI-UHFFFAOYSA-N" . "InChI=1S/C33H37N5O5S/c1-37(2)29-15-7-6-14-28(29)32(39)35-19-18-34-26-12-9-13-27(22-26)36-44(41,42)31-21-24(16-17-30(31)43-5)23-10-8-11-25(20-23)33(40)38(3)4/h6-17,20-22,34,36H,18-19H2,1-5H3,(H,35,39)" . "Clc1ccc(cc1)CCc1noc(n1)Cn1cnc2c(c1=O)n(C)cn2" . "Clc1ccc(cc1)CCc1noc(n1)Cn1cnc2c(c1=O)n(C)cn2" . "AWJBWNUUODWOKQ-UHFFFAOYSA-N" . "InChI=1S/C17H15ClN6O2/c1-23-9-19-16-15(23)17(25)24(10-20-16)8-14-21-13(22-26-14)7-4-11-2-5-12(18)6-3-11/h2-3,5-6,9-10H,4,7-8H2,1H3" . "COCCCN(c1scc(n1)c1ccc(cc1)OC)C(=O)CCl" . "COCCCN(c1scc(n1)c1ccc(cc1)OC)C(=O)CCl" . "KZMAWJRXKGLWGS-UHFFFAOYSA-N" . "InChI=1S/C16H19ClN2O3S/c1-21-9-3-8-19(15(20)10-17)16-18-14(11-23-16)12-4-6-13(22-2)7-5-12/h4-7,11H,3,8-10H2,1-2H3" . "CC(CN1C(=O)C(=CC(=O)O)c2c1c(F)ccc2)C" . "CC(CN1C(=O)/C(=C/C(=O)O)/c2c1c(F)ccc2)C" . "RCVZUIGCNAAMIC-UXBLZVDNSA-N" . "InChI=1S/C14H14FNO3/c1-8(2)7-16-13-9(4-3-5-11(13)15)10(14(16)19)6-12(17)18/h3-6,8H,7H2,1-2H3,(H,17,18)/b10-6+" . "O=C(C1CCCCCC1)Nc1c(C)c(Br)cn(c1=O)Cc1ccc(cc1)F" . "O=C(C1CCCCCC1)Nc1c(C)c(Br)cn(c1=O)Cc1ccc(cc1)F" . "NSGDYZCDUPSTQT-UHFFFAOYSA-N" . "InChI=1S/C21H24BrFN2O2/c1-14-18(22)13-25(12-15-8-10-17(23)11-9-15)21(27)19(14)24-20(26)16-6-4-2-3-5-7-16/h8-11,13,16H,2-7,12H2,1H3,(H,24,26)" . "[O-][N+](=O)CC(c1c([nH]c2c1cccc2)c1ccccc1)c1ccccc1" . "[O-][N+](=O)CC(c1c([nH]c2c1cccc2)c1ccccc1)c1ccccc1" . "OHZDCJJHWPHZJD-UHFFFAOYSA-N" . "InChI=1S/C22H18N2O2/c25-24(26)15-19(16-9-3-1-4-10-16)21-18-13-7-8-14-20(18)23-22(21)17-11-5-2-6-12-17/h1-14,19,23H,15H2" . "COc1cc(OCc2nc(sc2C)N2CCOCC2)c2c(c1)oc(c2)c1cn2c(n1)sc(n2)OC" . "COc1cc(OCc2nc(sc2C)N2CCOCC2)c2c(c1)oc(c2)c1cn2c(n1)sc(n2)OC" . "MINMDCMSHDBHKG-UHFFFAOYSA-N" . "InChI=1S/C23H23N5O5S2/c1-13-17(25-21(34-13)27-4-6-31-7-5-27)12-32-18-8-14(29-2)9-19-15(18)10-20(33-19)16-11-28-22(24-16)35-23(26-28)30-3/h8-11H,4-7,12H2,1-3H3" . "Fc1ccc(cc1)c1nn2cc(nc2c(c1)C(C)(C)C)C(=O)N1CCNC(=O)C1(C)C" . "Fc1ccc(cc1)c1nn2cc(nc2c(c1)C(C)(C)C)C(=O)N1CCNC(=O)C1(C)C" . "DTASTQAQBOZSRR-UHFFFAOYSA-N" . "InChI=1S/C23H26FN5O2/c1-22(2,3)16-12-17(14-6-8-15(24)9-7-14)27-29-13-18(26-19(16)29)20(30)28-11-10-25-21(31)23(28,4)5/h6-9,12-13H,10-11H2,1-5H3,(H,25,31)" . "O=C1Oc2c(C1(O)C(F)(F)F)cc(cc2C(C)(C)C)C(C)(C)C" . "O=C1Oc2c(C1(O)C(F)(F)F)cc(cc2C(C)(C)C)C(C)(C)C" . "RVNOANDLZIIFHB-UHFFFAOYSA-N" . "InChI=1S/C17H21F3O3/c1-14(2,3)9-7-10(15(4,5)6)12-11(8-9)16(22,13(21)23-12)17(18,19)20/h7-8,22H,1-6H3" . "OC1CC2C(C1(C)CC2)(C)C" . "O[C@H]1C[C@@H]2C([C@@]1(C)CC2)(C)C" . "DTGKSKDOIYIVQL-WEDXCCLWSA-N" . "InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m1/s1" . "CN(CCNC(C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O)C)C" . "CN(CCN[C@@H]([C@@H]1CC[C@H]2[C@@]1(C)CC[C@@H]1[C@@H]2CCc2c1ccc(c2)O)C)C" . "OQLPSYJNZRYLOQ-VMQDKKENSA-N" . "InChI=1S/C24H38N2O/c1-16(25-13-14-26(3)4)22-9-10-23-21-7-5-17-15-18(27)6-8-19(17)20(21)11-12-24(22,23)2/h6,8,15-16,20-23,25,27H,5,7,9-14H2,1-4H3/t16-,20+,21+,22+,23-,24+/m1/s1" . "COP(=O)(Oc1cccc(c1)CC(=O)O)CCC(C(=O)O)N" . "COP(=O)(Oc1cccc(c1)CC(=O)O)CCC(C(=O)O)N" . "NTFPDEDRMYYPAC-UHFFFAOYSA-N" . "InChI=1S/C13H18NO7P/c1-20-22(19,6-5-11(14)13(17)18)21-10-4-2-3-9(7-10)8-12(15)16/h2-4,7,11H,5-6,8,14H2,1H3,(H,15,16)(H,17,18)" . "Cc1ccc(cc1)CSc1ncn(n1)c1ccccc1" . "Cc1ccc(cc1)CSc1ncn(n1)c1ccccc1" . "JAVBFNWBMPZICK-UHFFFAOYSA-N" . "InChI=1S/C16H15N3S/c1-13-7-9-14(10-8-13)11-20-16-17-12-19(18-16)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3" . "O=C(Nc1cc(C=CC(=O)O)ccc1CC=C(C)C)CCc1ccccc1" . "O=C(Nc1cc(/C=C/C(=O)O)ccc1CC=C(C)C)CCc1ccccc1" . "SMYHHZFAWOLAAX-RVDMUPIBSA-N" . "InChI=1S/C23H25NO3/c1-17(2)8-12-20-13-9-19(11-15-23(26)27)16-21(20)24-22(25)14-10-18-6-4-3-5-7-18/h3-9,11,13,15-16H,10,12,14H2,1-2H3,(H,24,25)(H,26,27)/b15-11+" . "C(CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1)CCc1n[nH]nn1" . "C(CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1)CCc1n[nH]nn1" . "LQNGMDUIRLSESZ-UHFFFAOYSA-N" . "InChI=1S/C25H27N5/c1-3-9-22-19(7-1)12-13-20-8-2-4-10-23(20)25(22)21-14-17-30(18-15-21)16-6-5-11-24-26-28-29-27-24/h1-4,7-10,12-13H,5-6,11,14-18H2,(H,26,27,28,29)" . "CCC1(CC)C(=NCC(C1=O)C)O" . "CCC1(CC)C(=NCC(C1=O)C)O" . "SIDLZWOQUZRBRU-UHFFFAOYSA-N" . "InChI=1S/C10H17NO2/c1-4-10(5-2)8(12)7(3)6-11-9(10)13/h7H,4-6H2,1-3H3,(H,11,13)" . "Cc1cccc(c1)N1CN(C(=O)C21CCN(CC2)C1CCN(CC1)C(=O)OC1CC1)C" . "Cc1cccc(c1)N1CN(C(=O)C21CCN(CC2)C1CCN(CC1)C(=O)OC1CC1)C" . "ZZZVRFJGTJAHFM-UHFFFAOYSA-N" . "InChI=1S/C24H34N4O3/c1-18-4-3-5-20(16-18)28-17-25(2)22(29)24(28)10-14-26(15-11-24)19-8-12-27(13-9-19)23(30)31-21-6-7-21/h3-5,16,19,21H,6-15,17H2,1-2H3" . "ONC(=O)c1ccc(cc1)CN(C(=O)c1ccc(cc1)C(C)C)CC(=O)NC1CCCCC1" . "ONC(=O)c1ccc(cc1)CN(C(=O)c1ccc(cc1)C(C)C)CC(=O)NC1CCCCC1" . "HZYLVYNCWLAIGF-UHFFFAOYSA-N" . "InChI=1S/C26H33N3O4/c1-18(2)20-12-14-22(15-13-20)26(32)29(17-24(30)27-23-6-4-3-5-7-23)16-19-8-10-21(11-9-19)25(31)28-33/h8-15,18,23,33H,3-7,16-17H2,1-2H3,(H,27,30)(H,28,31)" . "COc1cc(ccc1OCc1ccc(cc1)OC)Cn1c(N)nc2c1ncc(c2)c1cnn(c1)C" . "COc1cc(ccc1OCc1ccc(cc1)OC)Cn1c(N)nc2c1ncc(c2)c1cnn(c1)C" . "HVRWZFQFSQUILC-UHFFFAOYSA-N" . "InChI=1S/C26H26N6O3/c1-31-15-20(13-29-31)19-11-22-25(28-12-19)32(26(27)30-22)14-18-6-9-23(24(10-18)34-3)35-16-17-4-7-21(33-2)8-5-17/h4-13,15H,14,16H2,1-3H3,(H2,27,30)" . "CCNC(=O)C=Cc1cccc(c1)Br" . "CCNC(=O)/C=C/c1cccc(c1)Br" . "LDCXGZCEMNMWIL-VOTSOKGWSA-N" . "InChI=1S/C11H12BrNO/c1-2-13-11(14)7-6-9-4-3-5-10(12)8-9/h3-8H,2H2,1H3,(H,13,14)/b7-6+" . "S=C(Nc1cccnc1)NC1CCN(CC1)c1nccc(c1Cl)Oc1ccc(cc1Cl)OC(F)(F)F" . "S=C(Nc1cccnc1)NC1CCN(CC1)c1nccc(c1Cl)Oc1ccc(cc1Cl)OC(F)(F)F" . "PIEQDBPBBQPLPL-UHFFFAOYSA-N" . "InChI=1S/C23H20Cl2F3N5O2S/c24-17-12-16(35-23(26,27)28)3-4-18(17)34-19-5-9-30-21(20(19)25)33-10-6-14(7-11-33)31-22(36)32-15-2-1-8-29-13-15/h1-5,8-9,12-14H,6-7,10-11H2,(H2,31,32,36)" . "OC(=O)c1cc(oc1C)c1ccccc1" . "OC(=O)c1cc(oc1C)c1ccccc1" . "VLMNACSEESRUAK-UHFFFAOYSA-N" . "InChI=1S/C12H10O3/c1-8-10(12(13)14)7-11(15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)" . "O=C(C1CCN(CC1)C(=O)Oc1cccnc1)Nc1ccccc1" . "O=C(C1CCN(CC1)C(=O)Oc1cccnc1)Nc1ccccc1" . "PLCMZPFTMOAGOE-UHFFFAOYSA-N" . "InChI=1S/C18H19N3O3/c22-17(20-15-5-2-1-3-6-15)14-8-11-21(12-9-14)18(23)24-16-7-4-10-19-13-16/h1-7,10,13-14H,8-9,11-12H2,(H,20,22)" . "CC1CCCC(O1)CC1OC(=O)c2c(C1)cc(cc2O)O" . "C[C@H]1CCC[C@@H](O1)C[C@@H]1OC(=O)c2c(C1)cc(cc2O)O" . "WOMKDMUZNBFXKG-ZWKOPEQDSA-N" . "InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12+,13+/m0/s1" . "Cc1ccc(cc1)c1cnc2c(c1)oc(n2)C(=O)CCCCCc1ccccc1" . "Cc1ccc(cc1)c1cnc2c(c1)oc(n2)C(=O)CCCCCc1ccccc1" . "XDHONXIOZAUYDB-UHFFFAOYSA-N" . "InChI=1S/C25H24N2O2/c1-18-12-14-20(15-13-18)21-16-23-24(26-17-21)27-25(29-23)22(28)11-7-3-6-10-19-8-4-2-5-9-19/h2,4-5,8-9,12-17H,3,6-7,10-11H2,1H3" . "O=C(N1CCCCC1Cc1ccccc1)n1nnc(c1)c1ccc(cc1)c1ccccc1" . "O=C(N1CCCCC1Cc1ccccc1)n1nnc(c1)c1ccc(cc1)c1ccccc1" . "JKJMWHULJIOKPJ-UHFFFAOYSA-N" . "InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2" . "Clc1cc(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N" . "Clc1cc(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N" . "GJQPMPFPNINLKP-UHFFFAOYSA-N" . "InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)" . "C#CCOC1CCC(N(C1)C(=O)n1ncc(n1)C(c1ccc(cc1)F)(c1ccc(cc1)F)O)Cc1ccccc1" . "C#CCO[C@@H]1CC[C@@H](N(C1)C(=O)n1ncc(n1)C(c1ccc(cc1)F)(c1ccc(cc1)F)O)Cc1ccccc1" . "GVLOFRPVRYAFKI-VSGBNLITSA-N" . "InChI=1S/C31H28F2N4O3/c1-2-18-40-28-17-16-27(19-22-6-4-3-5-7-22)36(21-28)30(38)37-34-20-29(35-37)31(39,23-8-12-25(32)13-9-23)24-10-14-26(33)15-11-24/h1,3-15,20,27-28,39H,16-19,21H2/t27-,28-/m1/s1" . "O=C(N1CCN(C(C1)Cc1ccccc1)C(=O)n1nnc(c1)c1ccc(cc1)OC(F)(F)F)OC(C)(C)C" . "O=C(N1CCN(C(C1)Cc1ccccc1)C(=O)n1nnc(c1)c1ccc(cc1)OC(F)(F)F)OC(C)(C)C" . "CQGMWUWJVBKTRM-UHFFFAOYSA-N" . "InChI=1S/C26H28F3N5O4/c1-25(2,3)38-24(36)32-13-14-33(20(16-32)15-18-7-5-4-6-8-18)23(35)34-17-22(30-31-34)19-9-11-21(12-10-19)37-26(27,28)29/h4-12,17,20H,13-16H2,1-3H3" . "Clc1ccc(cc1)c1cc(nn1c1ccc(cc1)S(=O)(=O)N)C(F)(F)F" . "Clc1ccc(cc1)c1cc(nn1c1ccc(cc1)S(=O)(=O)N)C(F)(F)F" . "NSQNZEUFHPTJME-UHFFFAOYSA-N" . "InChI=1S/C16H11ClF3N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)" . "COC(=O)c1ccc(cc1)n1c(C)cc(c1C)C(=O)CSc1ccc(cc1)NC(=O)C" . "COC(=O)c1ccc(cc1)n1c(C)cc(c1C)C(=O)CSc1ccc(cc1)NC(=O)C" . "BCNKQXDDMIBITO-UHFFFAOYSA-N" . "InChI=1S/C24H24N2O4S/c1-15-13-22(16(2)26(15)20-9-5-18(6-10-20)24(29)30-4)23(28)14-31-21-11-7-19(8-12-21)25-17(3)27/h5-13H,14H2,1-4H3,(H,25,27)" . "Clc1ccc(nc1)OCc1nn2c(c1)C(=O)N(CC2C)c1cccnc1F" . "Clc1ccc(nc1)OCc1nn2c(c1)C(=O)N(C[C@H]2C)c1cccnc1F" . "RXRVCJFGSOVYLG-LLVKDONJSA-N" . "InChI=1S/C18H15ClFN5O2/c1-11-9-24(14-3-2-6-21-17(14)20)18(26)15-7-13(23-25(11)15)10-27-16-5-4-12(19)8-22-16/h2-8,11H,9-10H2,1H3/t11-/m1/s1" . "CCc1nn2c(c1Cc1ccc(cc1)c1nnc(o1)C1CCNCC1)nc(cc2C)C" . "CCc1nn2c(c1Cc1ccc(cc1)c1nnc(o1)C1CCNCC1)nc(cc2C)C" . "HXPQWNPLNIEJOW-UHFFFAOYSA-N" . "InChI=1S/C24H28N6O/c1-4-21-20(22-26-15(2)13-16(3)30(22)29-21)14-17-5-7-18(8-6-17)23-27-28-24(31-23)19-9-11-25-12-10-19/h5-8,13,19,25H,4,9-12,14H2,1-3H3" . "OCC12CC2C(C(C1O)O)n1cnc2c1nc(Cl)nc2NC(C1CCC1)C1CCC1" . "OC[C@]12C[C@@H]2[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC(C1CCC1)C1CCC1" . "KATPAPFGRPJUHJ-MXKWNSRKSA-N" . "InChI=1S/C21H28ClN5O3/c22-20-25-18(24-13(10-3-1-4-10)11-5-2-6-11)14-19(26-20)27(9-23-14)15-12-7-21(12,8-28)17(30)16(15)29/h9-13,15-17,28-30H,1-8H2,(H,24,25,26)/t12-,15-,16+,17+,21+/m1/s1" . "CCCn1cnc(c1)CCNC(=O)Nc1nc2c(s1)cc(cc2)c1cncc(c1)OC" . "CCCn1cnc(c1)CCNC(=O)Nc1nc2c(s1)cc(cc2)c1cncc(c1)OC" . "VYPWROGLWNYKDD-UHFFFAOYSA-N" . "InChI=1S/C22H24N6O2S/c1-3-8-28-13-17(25-14-28)6-7-24-21(29)27-22-26-19-5-4-15(10-20(19)31-22)16-9-18(30-2)12-23-11-16/h4-5,9-14H,3,6-8H2,1-2H3,(H2,24,26,27,29)" . "CC(=O)Nc1sc(c(n1)C)c1cc(C)c2c(c1)CN(C2=O)C(C1CC1)C" . "CC(=O)Nc1sc(c(n1)C)c1cc(C)c2c(c1)CN(C2=O)[C@H](C1CC1)C" . "CNCRCDLWUGCPSJ-LBPRGKRZSA-N" . "InChI=1S/C20H23N3O2S/c1-10-7-15(18-11(2)21-20(26-18)22-13(4)24)8-16-9-23(19(25)17(10)16)12(3)14-5-6-14/h7-8,12,14H,5-6,9H2,1-4H3,(H,21,22,24)/t12-/m0/s1" . "O=C(Nc1ccc(cc1)OC1CCN(CC1)C1CCC1)CN1CCOCC1" . "O=C(Nc1ccc(cc1)OC1CCN(CC1)C1CCC1)CN1CCOCC1" . "LNXDUSQEXVQFGP-UHFFFAOYSA-N" . "InChI=1S/C21H31N3O3/c25-21(16-23-12-14-26-15-13-23)22-17-4-6-19(7-5-17)27-20-8-10-24(11-9-20)18-2-1-3-18/h4-7,18,20H,1-3,8-16H2,(H,22,25)" . "Clc1cc(NC2CCCN(C2=O)C2CN(CCC2C(=O)N)c2ncnc(c2F)N)cc(c1)C(F)(F)F" . "Clc1cc(N[C@@H]2CCCN(C2=O)[C@H]2CN(CC[C@@H]2C(=O)N)c2ncnc(c2F)N)cc(c1)C(F)(F)F" . "QLRRJMOBVVGXEJ-XHSDSOJGSA-N" . "InChI=1S/C22H24ClF4N7O2/c23-12-6-11(22(25,26)27)7-13(8-12)32-15-2-1-4-34(21(15)36)16-9-33(5-3-14(16)19(29)35)20-17(24)18(28)30-10-31-20/h6-8,10,14-16,32H,1-5,9H2,(H2,29,35)(H2,28,30,31)/t14-,15+,16-/m0/s1" . "COc1cc2c(cc1OC)c(cn(c2=O)c1noc2c1cc(C)cc2)C(=O)N1CCCCC1" . "COc1cc2c(cc1OC)c(cn(c2=O)c1noc2c1cc(C)cc2)C(=O)N1CCCCC1" . "QRMYHYZQUGJBBX-UHFFFAOYSA-N" . "InChI=1S/C25H25N3O5/c1-15-7-8-20-18(11-15)23(26-33-20)28-14-19(24(29)27-9-5-4-6-10-27)16-12-21(31-2)22(32-3)13-17(16)25(28)30/h7-8,11-14H,4-6,9-10H2,1-3H3" . "Clc1ccc(c(c1)Cl)C1NC(Cc2c1[nH]c1c2cccc1)C(=O)O" . "Clc1ccc(c(c1)Cl)C1NC(Cc2c1[nH]c1c2cccc1)C(=O)O" . "ZJDRIKAAFJMYGX-UHFFFAOYSA-N" . "InChI=1S/C18H14Cl2N2O2/c19-9-5-6-11(13(20)7-9)16-17-12(8-15(22-16)18(23)24)10-3-1-2-4-14(10)21-17/h1-7,15-16,21-22H,8H2,(H,23,24)" . "NC(=N)N1CCCC1Cc1onc(n1)c1ccc(cc1)Nc1scc(n1)c1ccc(cc1)c1ccccc1" . "NC(=N)N1CCC[C@H]1Cc1onc(n1)c1ccc(cc1)Nc1scc(n1)c1ccc(cc1)c1ccccc1" . "PDCYPMBTPMGZDZ-DEOSSOPVSA-N" . "InChI=1S/C29H27N7OS/c30-28(31)36-16-4-7-24(36)17-26-34-27(35-37-26)22-12-14-23(15-13-22)32-29-33-25(18-38-29)21-10-8-20(9-11-21)19-5-2-1-3-6-19/h1-3,5-6,8-15,18,24H,4,7,16-17H2,(H3,30,31)(H,32,33)/t24-/m0/s1" . "CSCCC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)CCCN=C(N)N)CC(C)C)Cc1ccc(cc1)O)NC(=O)C1CCCN1C(=O)C(Cc1ccc(cc1)O)NC(=O)CN" . "CSCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CCCN=C(N)N)CC(C)C)Cc1ccc(cc1)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CN" . "CUWIGJUCRMYFBS-BXXNOCLASA-N" . "InChI=1S/C52H76N12O12S/c1-30(2)26-37(48(72)62-22-6-10-41(62)46(70)59-36(51(75)76)8-4-21-56-52(54)55)61-47(71)42-11-7-24-64(42)50(74)39(28-32-14-18-34(66)19-15-32)60-44(68)35(20-25-77-3)58-45(69)40-9-5-23-63(40)49(73)38(57-43(67)29-53)27-31-12-16-33(65)17-13-31/h12-19,30,35-42,65-66H,4-11,20-29,53H2,1-3H3,(H,57,67)(H,58,69)(H,59,70)(H,60,68)(H,61,71)(H,75,76)(H4,54,55,56)/t35-,36-,37-,38-,39-,40-,41-,42-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)C)C(C)C)CO)Cc1c[nH]c2c1cccc2)C)NC(=O)C(NC(=O)C(N)C)CC(C)C" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)C)C(C)C)CO)Cc1c[nH]c2c1cccc2)C)NC(=O)[C@@H](NC(=O)[C@@H](N)C)CC(C)C" . "CWUCHJAUTZCVMY-YUIUFFEESA-N" . "InChI=1S/C46H76N14O11/c1-23(2)19-33(57-37(62)25(5)48)41(66)55-31(15-10-11-17-47)40(65)53-26(6)39(64)58-34(20-28-21-52-30-14-9-8-13-29(28)30)42(67)59-35(22-61)43(68)60-36(24(3)4)44(69)54-27(7)38(63)56-32(45(70)71)16-12-18-51-46(49)50/h8-9,13-14,21,23-27,31-36,52,61H,10-12,15-20,22,47-48H2,1-7H3,(H,53,65)(H,54,69)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,60,68)(H,70,71)(H4,49,50,51)/t25-,26-,27-,31-,32-,33-,34-,35-,36-/m0/s1" . "OC(=O)CCc1cccc2c1B(O)OC2" . "OC(=O)CCc1cccc2c1B(O)OC2" . "CEVOKIPNIZQANN-UHFFFAOYSA-N" . "InChI=1S/C10H11BO4/c12-9(13)5-4-7-2-1-3-8-6-15-11(14)10(7)8/h1-3,14H,4-6H2,(H,12,13)" . "CN(Cc1cc2nc(c(n2cc1C)c1ccnc(n1)CC1CC1)c1ccc(c(c1)NS(=O)(=O)C)F)C" . "CN(Cc1cc2nc(c(n2cc1C)c1ccnc(n1)CC1CC1)c1ccc(c(c1)NS(=O)(=O)C)F)C" . "VRZZXBIIWWZFEI-UHFFFAOYSA-N" . "InChI=1S/C26H29FN6O2S/c1-16-14-33-24(13-19(16)15-32(2)3)30-25(18-7-8-20(27)22(12-18)31-36(4,34)35)26(33)21-9-10-28-23(29-21)11-17-5-6-17/h7-10,12-14,17,31H,5-6,11,15H2,1-4H3" . "NCCOc1ccc(cc1)C(=C(c1ccccc1)CC)c1ccc(cc1)O" . "NCCOc1ccc(cc1)/C(=C(/c1ccccc1)/CC)/c1ccc(cc1)O" . "YCQBLTPGQSYLHD-VHXPQNKSSA-N" . "InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23-" . "CCC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)CO)CC(C)C)C(C)C)Cc1ccc(cc1)O)CCC(=O)N)NC(=O)C1CCCN1C(=O)C(C(CC)C)NC(=O)C(Cc1ccc(cc1)O)N)C" . "CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)CO)CC(C)C)C(C)C)Cc1ccc(cc1)O)CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](Cc1ccc(cc1)O)N)C" . "FLMZYYASMMUDFC-FJKDSYQFSA-N" . "InChI=1S/C60H94N14O15/c1-9-33(7)48(72-55(84)45-14-12-26-74(45)58(87)49(34(8)10-2)73-50(79)39(61)28-35-15-19-37(76)20-16-35)57(86)66-40(23-24-46(62)78)51(80)68-43(29-36-17-21-38(77)22-18-36)53(82)71-47(32(5)6)56(85)69-42(27-31(3)4)52(81)70-44(30-75)54(83)67-41(59(88)89)13-11-25-65-60(63)64/h15-22,31-34,39-45,47-49,75-77H,9-14,23-30,61H2,1-8H3,(H2,62,78)(H,66,86)(H,67,83)(H,68,80)(H,69,85)(H,70,81)(H,71,82)(H,72,84)(H,73,79)(H,88,89)(H4,63,64,65)/t33-,34-,39-,40-,41-,42-,43-,44-,45-,47-,48-,49-/m0/s1" . "CN=C(NCCCC(C(=O)NC(C(=O)N)Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)NNC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C1CC(CN1C(=O)C(Cc1ccc(cc1)O)NC(=O)C)O)CC(=O)N)Cc1ccccc1)CC(C)C)N" . "CN=C(NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)NNC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)C)O)CC(=O)N)Cc1ccccc1)CC(C)C)N" . "MWXWMWSUUYXMRA-GRKBUMBKSA-N" . "InChI=1S/C58H80N16O14/c1-30(2)22-42(51(82)66-40(16-11-21-63-57(61)62-5)50(81)67-41(49(60)80)25-35-28-64-39-15-10-9-14-38(35)39)70-58(88)73-72-53(84)43(23-33-12-7-6-8-13-33)69-55(86)48(31(3)75)71-52(83)44(27-47(59)79)68-54(85)46-26-37(78)29-74(46)56(87)45(65-32(4)76)24-34-17-19-36(77)20-18-34/h6-10,12-15,17-20,28,30-31,37,40-46,48,64,75,77-78H,11,16,21-27,29H2,1-5H3,(H2,59,79)(H2,60,80)(H,65,76)(H,66,82)(H,67,81)(H,68,85)(H,69,86)(H,71,83)(H,72,84)(H3,61,62,63)(H2,70,73,88)/t31-,37-,40+,41+,42+,43+,44+,45-,46+,48+/m1/s1" . "C=CC(=O)NC1CCOCC1Nc1ncc2c(n1)ccc(c2)c1c(Cl)c(OC)cc(c1Cl)OC" . "C=CC(=O)N[C@H]1CCOC[C@H]1Nc1ncc2c(n1)ccc(c2)c1c(Cl)c(OC)cc(c1Cl)OC" . "MGZKYOAQVGSSGC-DLBZAZTESA-N" . "InChI=1S/C24H24Cl2N4O4/c1-4-20(31)28-16-7-8-34-12-17(16)30-24-27-11-14-9-13(5-6-15(14)29-24)21-22(25)18(32-2)10-19(33-3)23(21)26/h4-6,9-11,16-17H,1,7-8,12H2,2-3H3,(H,28,31)(H,27,29,30)/t16-,17+/m0/s1" . "Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1N=Cc1ccccc1NS(=O)(=O)c1ccc(cc1)C" . "Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1/N=C/c1ccccc1NS(=O)(=O)c1ccc(cc1)C" . "FLDBNMYJUMAXDQ-TURZUDJPSA-N" . "InChI=1S/C27H25N3O4S2/c1-20-11-15-23(16-12-20)35(31,32)29-25-8-4-3-7-22(25)19-28-26-9-5-6-10-27(26)30-36(33,34)24-17-13-21(2)14-18-24/h3-19,29-30H,1-2H3/b28-19+" . "OCC1CCCN1Cc1ccc(cc1)COc1cccc(c1)NC(=O)c1ccccc1" . "OC[C@H]1CCCN1Cc1ccc(cc1)COc1cccc(c1)NC(=O)c1ccccc1" . "OHVIRCSJFFPEGC-XMMPIXPASA-N" . "InChI=1S/C26H28N2O3/c29-18-24-9-5-15-28(24)17-20-11-13-21(14-12-20)19-31-25-10-4-8-23(16-25)27-26(30)22-6-2-1-3-7-22/h1-4,6-8,10-14,16,24,29H,5,9,15,17-19H2,(H,27,30)/t24-/m1/s1" . "Brc1ccc(c(c1)C=NNC(=O)C(Sc1nc2c([nH]1)cccc2)C)O" . "Brc1ccc(c(c1)/C=N/NC(=O)C(Sc1nc2c([nH]1)cccc2)C)O" . "WILMXUAKQKGGCC-DJKKODMXSA-N" . "InChI=1S/C17H15BrN4O2S/c1-10(25-17-20-13-4-2-3-5-14(13)21-17)16(24)22-19-9-11-8-12(18)6-7-15(11)23/h2-10,23H,1H3,(H,20,21)(H,22,24)/b19-9+" . "CCC1(C)CC(=O)C2(C(O1)(C)C(OC(=O)C)C(C1C2(C)C(O)CCC1(C)C)OCNCCN(C)C)O" . "CC[C@@]1(C)CC(=O)[C@]2([C@@](O1)(C)[C@@H](OC(=O)C)[C@H]([C@@H]1[C@]2(C)[C@@H](O)CCC1(C)C)OCNCCN(C)C)O" . "MTINGHUODSDGHI-JDHRZFKJSA-N" . "InChI=1S/C27H48N2O7/c1-10-24(5)15-19(32)27(33)25(6)18(31)11-12-23(3,4)21(25)20(34-16-28-13-14-29(8)9)22(35-17(2)30)26(27,7)36-24/h18,20-22,28,31,33H,10-16H2,1-9H3/t18-,20-,21-,22-,24-,25-,26+,27-/m0/s1" . "S=C=NCCNCOC1C(OC(=O)C)C2(C)OC(C)(C=C)CC(=O)C2(C2(C1C(C)(C)CCC2O)C)O" . "S=C=NCCNCO[C@@H]1[C@H](OC(=O)C)[C@@]2(C)O[C@@](C)(C=C)CC(=O)[C@@]2([C@@]2([C@@H]1C(C)(C)CC[C@@H]2O)C)O" . "RWDRIGNPXMZENV-CLFUUGQNSA-N" . "InChI=1S/C26H40N2O7S/c1-8-23(5)13-18(31)26(32)24(6)17(30)9-10-22(3,4)20(24)19(33-14-27-11-12-28-15-36)21(34-16(2)29)25(26,7)35-23/h8,17,19-21,27,30,32H,1,9-14H2,2-7H3/t17-,19-,20-,21-,23-,24-,25+,26-/m0/s1" . "NC(=O)C(C(F)(F)F)(CNc1nc(ncc1F)c1nn(c(c1)c1nocc1)Cc1ccccc1F)O" . "NC(=O)[C@@](C(F)(F)F)(CNc1nc(ncc1F)c1nn(c(c1)c1nocc1)Cc1ccccc1F)O" . "YWQFJNWMWZMXRW-HXUWFJFHSA-N" . "InChI=1S/C21H16F5N7O3/c22-12-4-2-1-3-11(12)9-33-16(14-5-6-36-32-14)7-15(31-33)18-28-8-13(23)17(30-18)29-10-20(35,19(27)34)21(24,25)26/h1-8,35H,9-10H2,(H2,27,34)(H,28,29,30)/t20-/m1/s1" . "COc1ccc2c(c1OC)C(=O)OC2C1N(C)CCc2c1c(OC)c1c(c2)OCO1" . "COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1c(OC)c1c(c2)OCO1" . "AKNNEGZIBPJZJG-MSOLQXFVSA-N" . "InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1" . "CCc1nc2c(n1Cc1ccc3c(c1)CCc1c(N3)ccc(c1)CN1CCCCC1)nc(cc2C)C" . "CCc1nc2c(n1Cc1ccc3c(c1)CCc1c(N3)ccc(c1)CN1CCCCC1)nc(cc2C)C" . "YFBWGDXTUXTMEM-UHFFFAOYSA-N" . "InChI=1S/C31H37N5/c1-4-29-34-30-21(2)16-22(3)32-31(30)36(29)20-24-9-13-28-26(18-24)11-10-25-17-23(8-12-27(25)33-28)19-35-14-6-5-7-15-35/h8-9,12-13,16-18,33H,4-7,10-11,14-15,19-20H2,1-3H3" . "CNCCOc1ccc(cc1)C(=C(c1ccccc1)CC)c1ccc(cc1)O" . "CNCCOc1ccc(cc1)/C(=C(/c1ccccc1)/CC)/c1ccc(cc1)O" . "MHJBZVSGOZTKRH-IZHYLOQSSA-N" . "InChI=1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24-" . "CCCCCCC(c1cc(O)c2c(c1)oc(=O)c1c2cc(OC)cc1)(C)C" . "CCCCCCC(c1cc(O)c2c(c1)oc(=O)c1c2cc(OC)cc1)(C)C" . "ZAIKPEWFCSQNQB-UHFFFAOYSA-N" . "InChI=1S/C23H28O4/c1-5-6-7-8-11-23(2,3)15-12-19(24)21-18-14-16(26-4)9-10-17(18)22(25)27-20(21)13-15/h9-10,12-14,24H,5-8,11H2,1-4H3" . "O=C1CCCN1C1CCN(C1)C(=O)c1cnc2c(c1)OCCC1(N2)CC1" . "O=C1CCCN1[C@H]1CCN(C1)C(=O)c1cnc2c(c1)OCCC1(N2)CC1" . "UQONAEXHTGDOIH-AWEZNQCLSA-N" . "InChI=1S/C19H24N4O3/c24-16-2-1-7-23(16)14-3-8-22(12-14)18(25)13-10-15-17(20-11-13)21-19(4-5-19)6-9-26-15/h10-11,14H,1-9,12H2,(H,20,21)/t14-/m0/s1" . "OCC1NCC(C(C1O)O)O" . "OC[C@H]1NC[C@@H]([C@H]([C@H]1O)O)O" . "LXBIFEVIBLOUGU-DPYQTVNSSA-N" . "InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/m1/s1" . "OCC(Cn1c2cc(F)c(cc2cc1C(CO)(C)C)NC(=O)C1(CC1)c1ccc2c(c1)OC(O2)(F)F)O" . "OC[C@@H](Cn1c2cc(F)c(cc2cc1C(CO)(C)C)NC(=O)C1(CC1)c1ccc2c(c1)OC(O2)(F)F)O" . "MJUVRTYWUMPBTR-MRXNPFEDSA-N" . "InChI=1S/C26H27F3N2O6/c1-24(2,13-33)22-8-14-7-18(17(27)10-19(14)31(22)11-16(34)12-32)30-23(35)25(5-6-25)15-3-4-20-21(9-15)37-26(28,29)36-20/h3-4,7-10,16,32-34H,5-6,11-13H2,1-2H3,(H,30,35)/t16-/m1/s1" . "CCc1cnc(nc1)N1CCC(CC1)c1scc(n1)COc1ccc(cc1)n1cnnn1" . "CCc1cnc(nc1)N1CCC(CC1)c1scc(n1)COc1ccc(cc1)n1cnnn1" . "NFTMKHWBOINJGM-UHFFFAOYSA-N" . "InChI=1S/C22H24N8OS/c1-2-16-11-23-22(24-12-16)29-9-7-17(8-10-29)21-26-18(14-32-21)13-31-20-5-3-19(4-6-20)30-15-25-27-28-30/h3-6,11-12,14-15,17H,2,7-10,13H2,1H3" . "CCC1C(O)C2C3CCC(C3(C)CCC2C2(C1CC(O)CC2)C)C(CCOS(=O)(=O)[O-])C" . "CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCOS(=O)(=O)[O-])C" . "XGIYOABXZNJOHV-APIYUPOTSA-M" . "InChI=1S/C25H44O6S/c1-5-17-21-14-16(26)8-11-25(21,4)20-9-12-24(3)18(6-7-19(24)22(20)23(17)27)15(2)10-13-31-32(28,29)30/h15-23,26-27H,5-14H2,1-4H3,(H,28,29,30)/p-1/t15-,16-,17-,18-,19+,20+,21+,22+,23-,24-,25-/m1/s1" . "COc1cc(ccc1OCC1CC1)C(=O)Nc1cc(ccc1n1cncn1)OC(F)(F)F" . "COc1cc(ccc1OCC1CC1)C(=O)Nc1cc(ccc1n1cncn1)OC(F)(F)F" . "IQNLJJLZIVCGFI-UHFFFAOYSA-N" . "InChI=1S/C21H19F3N4O4/c1-30-19-8-14(4-7-18(19)31-10-13-2-3-13)20(29)27-16-9-15(32-21(22,23)24)5-6-17(16)28-12-25-11-26-28/h4-9,11-13H,2-3,10H2,1H3,(H,27,29)" . "O=C1NC(c2c1cc([nH]2)c1cccc2c1nc(NC1(C)CC1)n(c2=O)C1(C)CC1)C" . "O=C1N[C@@H](c2c1cc([nH]2)c1cccc2c1nc(NC1(C)CC1)n(c2=O)C1(C)CC1)C" . "WPKXXVMGORDACP-GFCCVEGCSA-N" . "InChI=1S/C23H25N5O2/c1-12-17-15(19(29)24-12)11-16(25-17)13-5-4-6-14-18(13)26-21(27-22(2)7-8-22)28(20(14)30)23(3)9-10-23/h4-6,11-12,25H,7-10H2,1-3H3,(H,24,29)(H,26,27)/t12-/m1/s1" . "COc1cc(cc(c1OC)OC)Nc1ncnc2c1sc(c2)c1ccc(cc1)C" . "COc1cc(cc(c1OC)OC)Nc1ncnc2c1sc(c2)c1ccc(cc1)C" . "IXKCNJIWRNIRNO-UHFFFAOYSA-N" . "InChI=1S/C22H21N3O3S/c1-13-5-7-14(8-6-13)19-11-16-21(29-19)22(24-12-23-16)25-15-9-17(26-2)20(28-4)18(10-15)27-3/h5-12H,1-4H3,(H,23,24,25)" . "Nc1nc(nc(c1Br)n1cccn1)n1cccn1" . "Nc1nc(nc(c1Br)n1cccn1)n1cccn1" . "ATFXVNUWQOXRRU-UHFFFAOYSA-N" . "InChI=1S/C10H8BrN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16)" . "OC1C2COP(=O)(S)OC3C(COP(=S)(OC1C(O2)n1cnc2c1ncnc2N)O)OC(C3O)n1cnc2c1ncnc2N" . "OC1[C@H]2COP(=O)(S)O[C@@H]3[C@@H](COP(=S)(O[C@H]1[C@@H](O2)n1cnc2c1ncnc2N)O)O[C@H]([C@@H]3O)n1cnc2c1ncnc2N" . "IZJJFUQKKZFVLH-LTKSHMRXSA-N" . "InChI=1S/C20H24N10O10P2S2/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(32)13-8(38-19)2-36-42(34,44)40-14-11(31)7(1-35-41(33,43)39-13)37-20(14)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,43)(H,34,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11?,12-,13-,14-,19-,20-,41?,42?/m1/s1" . "OCC(C(=O)O)NCc1cc(C)c(cc1OCc1cccc(c1)C#N)OCc1cccc(c1C)c1ccc2c(c1)OCCO2" . "OCC(C(=O)O)NCc1cc(C)c(cc1OCc1cccc(c1)C#N)OCc1cccc(c1C)c1ccc2c(c1)OCCO2" . "UWNXGZKSIKQKAH-UHFFFAOYSA-N" . "InChI=1S/C35H34N2O7/c1-22-13-28(18-37-30(19-38)35(39)40)33(43-20-25-6-3-5-24(14-25)17-36)16-32(22)44-21-27-7-4-8-29(23(27)2)26-9-10-31-34(15-26)42-12-11-41-31/h3-10,13-16,30,37-38H,11-12,18-21H2,1-2H3,(H,39,40)" . "Nc1nc(c2ccc(o2)C)c2c(n1)n(nn2)Cc1cccc(n1)COC1COCC1" . "Nc1nc(c2ccc(o2)C)c2c(n1)n(nn2)Cc1cccc(n1)CO[C@@H]1COCC1" . "KURQKNMKCGYWRJ-HNNXBMFYSA-N" . "InChI=1S/C20H21N7O3/c1-12-5-6-16(30-12)17-18-19(24-20(21)23-17)27(26-25-18)9-13-3-2-4-14(22-13)10-29-15-7-8-28-11-15/h2-6,15H,7-11H2,1H3,(H2,21,23,24)/t15-/m0/s1" . "N1CCC(CC1)c1onc(n1)c1ccc2c(c1)cccc2" . "N1CCC(CC1)c1onc(n1)c1ccc2c(c1)cccc2" . "PPCNFLPYHQIYHP-UHFFFAOYSA-N" . "InChI=1S/C17H17N3O/c1-2-4-14-11-15(6-5-12(14)3-1)16-19-17(21-20-16)13-7-9-18-10-8-13/h1-6,11,13,18H,7-10H2" . "CC(=O)c1ccc(cc1)COc1ccccc1c1ccccc1" . "CC(=O)c1ccc(cc1)COc1ccccc1c1ccccc1" . "ZYZDLKZAFQVEKA-UHFFFAOYSA-N" . "InChI=1S/C21H18O2/c1-16(22)18-13-11-17(12-14-18)15-23-21-10-6-5-9-20(21)19-7-3-2-4-8-19/h2-14H,15H2,1H3" . "Oc1ccc2c3c1OC1C43CCN(C(C2)C4(O)CCC1NC(=O)c1ccncc1F)CC1CC1" . "Oc1ccc2c3c1O[C@@H]1C43CCN([C@H](C2)[C@]4(O)CC[C@H]1NC(=O)c1ccncc1F)CC1CC1" . "JRUPWWCGTBJDNY-LNMFUWNLSA-N" . "InChI=1S/C26H28FN3O4/c27-17-12-28-9-6-16(17)24(32)29-18-5-7-26(33)20-11-15-3-4-19(31)22-21(15)25(26,23(18)34-22)8-10-30(20)13-14-1-2-14/h3-4,6,9,12,14,18,20,23,31,33H,1-2,5,7-8,10-11,13H2,(H,29,32)/t18-,20-,23+,25?,26-/m1/s1" . "CN1CCN(CC1)c1cnc2c(c1)ncnc2C1CCN(CC1)C(=O)c1ccc(cc1N)OC(F)(F)F" . "CN1CCN(CC1)c1cnc2c(c1)ncnc2C1CCN(CC1)C(=O)c1ccc(cc1N)OC(F)(F)F" . "QXURFIGBRGWPQD-UHFFFAOYSA-N" . "InChI=1S/C25H28F3N7O2/c1-33-8-10-34(11-9-33)17-12-21-23(30-14-17)22(32-15-31-21)16-4-6-35(7-5-16)24(36)19-3-2-18(13-20(19)29)37-25(26,27)28/h2-3,12-16H,4-11,29H2,1H3" . "OC(=O)Cc1cc(Cl)c(cc1F)Oc1ccc(cc1NS(=O)(=O)c1ccc(cc1Cl)C1CC1)C(=O)NC(C)(C)C" . "OC(=O)Cc1cc(Cl)c(cc1F)Oc1ccc(cc1NS(=O)(=O)c1ccc(cc1Cl)C1CC1)C(=O)NC(C)(C)C" . "PFWVGKROPKKEDW-UHFFFAOYSA-N" . "InChI=1S/C28H27Cl2FN2O6S/c1-28(2,3)32-27(36)17-6-8-23(39-24-14-21(31)18(11-19(24)29)13-26(34)35)22(12-17)33-40(37,38)25-9-7-16(10-20(25)30)15-4-5-15/h6-12,14-15,33H,4-5,13H2,1-3H3,(H,32,36)(H,34,35)" . "Nc1ncnc(c1)Nc1cc(C)c2n(c1=O)C1(CCCCC1)NC2=O" . "Nc1ncnc(c1)Nc1cc(C)c2n(c1=O)C1(CCCCC1)NC2=O" . "HKTBYUWLRDZAJK-UHFFFAOYSA-N" . "InChI=1S/C17H20N6O2/c1-10-7-11(21-13-8-12(18)19-9-20-13)16(25)23-14(10)15(24)22-17(23)5-3-2-4-6-17/h7-9H,2-6H2,1H3,(H,22,24)(H3,18,19,20,21)" . "N#Cc1ccc(cc1Cl)OC1C(C)(C)C(C1(C)C)NC(=O)c1ccc(cc1)C#CC1CCN(CC1)C1CCN(CC1)C(=O)CC(c1ccc(cc1)c1scnc1C)NC(=O)C1CC(CN1C(=O)C(C(C)(C)C)NC(=O)C1(F)CC1)O" . "N#Cc1ccc(cc1Cl)O[C@@H]1C(C)(C)[C@H](C1(C)C)NC(=O)c1ccc(cc1)C#CC1CCN(CC1)C1CCN(CC1)C(=O)C[C@@H](c1ccc(cc1)c1scnc1C)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)C1(F)CC1)O" . "CWGVEMFBQJUWLU-RXFAPWBBSA-N" . "InChI=1S/C62H74ClFN8O7S/c1-37-51(80-36-66-37)41-17-15-40(16-18-41)48(67-54(76)49-31-45(73)35-72(49)55(77)52(59(2,3)4)68-58(78)62(64)25-26-62)33-50(74)71-29-23-44(24-30-71)70-27-21-39(22-28-70)10-9-38-11-13-42(14-12-38)53(75)69-56-60(5,6)57(61(56,7)8)79-46-20-19-43(34-65)47(63)32-46/h11-20,32,36,39,44-45,48-49,52,56-57,73H,21-31,33,35H2,1-8H3,(H,67,76)(H,68,78)(H,69,75)/t45-,48+,49+,52-,56-,57-/m1/s1" . "CCN1CCN(CC1)CCCOc1cc2nccc(c2cc1OC)Oc1c(F)cc(cc1F)NC(=O)NN1C(=O)CSC1c1c(F)cccc1F" . "CCN1CCN(CC1)CCCOc1cc2nccc(c2cc1OC)Oc1c(F)cc(cc1F)NC(=O)NN1C(=O)CSC1c1c(F)cccc1F" . "GZVQZLVAKXRTHU-UHFFFAOYSA-N" . "InChI=1S/C35H36F4N6O5S/c1-3-43-11-13-44(14-12-43)10-5-15-49-30-19-27-22(18-29(30)48-2)28(8-9-40-27)50-33-25(38)16-21(17-26(33)39)41-35(47)42-45-31(46)20-51-34(45)32-23(36)6-4-7-24(32)37/h4,6-9,16-19,34H,3,5,10-15,20H2,1-2H3,(H2,41,42,47)" . "Fc1ccc2c(c1)c1CN(CCc1n2CC(=O)O)C(=O)c1cccc2c1cccc2" . "Fc1ccc2c(c1)c1CN(CCc1n2CC(=O)O)C(=O)c1cccc2c1cccc2" . "IHAXLPDVOWLUOS-UHFFFAOYSA-N" . "InChI=1S/C24H19FN2O3/c25-16-8-9-21-19(12-16)20-13-26(11-10-22(20)27(21)14-23(28)29)24(30)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,28,29)" . "COc1cc(Cl)ccc1CCNC(=O)c1ccc(cc1)Oc1cc2OCCC(c2cc1Cl)C(=O)O" . "COc1cc(Cl)ccc1CCNC(=O)c1ccc(cc1)Oc1cc2OCC[C@@H](c2cc1Cl)C(=O)O" . "QIDYUNXQPQEJEC-IBGZPJMESA-N" . "InChI=1S/C26H23Cl2NO6/c1-33-22-12-17(27)5-2-15(22)8-10-29-25(30)16-3-6-18(7-4-16)35-24-14-23-20(13-21(24)28)19(26(31)32)9-11-34-23/h2-7,12-14,19H,8-11H2,1H3,(H,29,30)(H,31,32)/t19-/m0/s1" . "COC(=O)C(C(C)(C)C)NC(=O)c1nn(c2c1cccc2)Cc1ccc(cc1)F" . "COC(=O)[C@H](C(C)(C)C)NC(=O)c1nn(c2c1cccc2)Cc1ccc(cc1)F" . "RFCDVEHNYDVCMU-LJQANCHMSA-N" . "InChI=1S/C22H24FN3O3/c1-22(2,3)19(21(28)29-4)24-20(27)18-16-7-5-6-8-17(16)26(25-18)13-14-9-11-15(23)12-10-14/h5-12,19H,13H2,1-4H3,(H,24,27)/t19-/m1/s1" . "OCCCCCn1nc(c(c1c1ccccc1)C)C(=O)NC12CC3CC(C2)CC(C1)C3" . "OCCCCCn1nc(c(c1c1ccccc1)C)C(=O)NC12CC3CC(C2)CC(C1)C3" . "FMJXYCCDMAGPLE-UHFFFAOYSA-N" . "InChI=1S/C26H35N3O2/c1-18-23(25(31)27-26-15-19-12-20(16-26)14-21(13-19)17-26)28-29(10-6-3-7-11-30)24(18)22-8-4-2-5-9-22/h2,4-5,8-9,19-21,30H,3,6-7,10-17H2,1H3,(H,27,31)" . "O=C(c1cnc2c(c1)CC1(C2)C(=O)Nc2c1cccn2)NC1CC(c2ccccc2)C(N(C1=O)CC(F)(F)F)C" . "O=C(c1cnc2c(c1)C[C@@]1(C2)C(=O)Nc2c1cccn2)N[C@H]1C[C@@H](c2ccccc2)[C@H](N(C1=O)CC(F)(F)F)C" . "DDOOFTLHJSMHLN-ZQHRPCGSSA-N" . "InChI=1S/C29H26F3N5O3/c1-16-20(17-6-3-2-4-7-17)11-22(26(39)37(16)15-29(30,31)32)35-25(38)19-10-18-12-28(13-23(18)34-14-19)21-8-5-9-33-24(21)36-27(28)40/h2-10,14,16,20,22H,11-13,15H2,1H3,(H,35,38)(H,33,36,40)/t16-,20-,22+,28+/m1/s1" . "COC(=O)N1CCN(CC1)C(=N)c1cccc(c1)NC(=O)Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(=O)(=O)N" . "COC(=O)N1CCN(CC1)C(=N)c1cccc(c1)NC(=O)Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(=O)(=O)N" . "UJKWTQWUYKHLGQ-UHFFFAOYSA-N" . "InChI=1S/C27H31N7O7S2/c1-41-27(36)34-15-13-33(14-16-34)25(28)20-3-2-4-22(17-20)32-26(35)31-21-7-11-24(12-8-21)43(39,40)30-18-19-5-9-23(10-6-19)42(29,37)38/h2-12,17,28,30H,13-16,18H2,1H3,(H2,29,37,38)(H2,31,32,35)" . "COc1nccnc1NS(=O)(=O)c1ccc(cc1)N" . "COc1nccnc1NS(=O)(=O)c1ccc(cc1)N" . "KXRZBTAEDBELFD-UHFFFAOYSA-N" . "InChI=1S/C11H12N4O3S/c1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)" . "CCN(CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC" . "CCN(CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC" . "GPKJTRJOBQGKQK-UHFFFAOYSA-N" . "InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)" . "O=c1nc(OCC2COCCO2)cc2n1CCc1c2ccc(c1)C#CC1CC1" . "O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1c2ccc(c1)C#CC1CC1" . "IRBAWVGZNJIROV-SFHVURJKSA-N" . "InChI=1S/C22H22N2O4/c25-22-23-21(28-14-18-13-26-9-10-27-18)12-20-19-6-5-16(4-3-15-1-2-15)11-17(19)7-8-24(20)22/h5-6,11-12,15,18H,1-2,7-10,13-14H2/t18-/m0/s1" . "COc1ccc(cc1Oc1ccc(cc1CSC(C)(C)C)NC(=O)C(C)(C)C)CC(=O)O" . "COc1ccc(cc1Oc1ccc(cc1CSC(C)(C)C)NC(=O)C(C)(C)C)CC(=O)O" . "SDHFXINHZHARIB-UHFFFAOYSA-N" . "InChI=1S/C25H33NO5S/c1-24(2,3)23(29)26-18-9-11-19(17(14-18)15-32-25(4,5)6)31-21-12-16(13-22(27)28)8-10-20(21)30-7/h8-12,14H,13,15H2,1-7H3,(H,26,29)(H,27,28)" . "COC=CC(=O)c1cc2C=Nc3c2c(n1)c(NC(=O)C(C)C)cc3N" . "CO/C=C/C(=O)c1cc2C=Nc3c2c(n1)c(NC(=O)C(C)C)cc3N" . "OKZVXALNOKYCRL-SNAWJCMRSA-N" . "InChI=1S/C18H18N4O3/c1-9(2)18(24)22-13-7-11(19)16-15-10(8-20-16)6-12(21-17(13)15)14(23)4-5-25-3/h4-9H,19H2,1-3H3,(H,22,24)/b5-4+" . "Fc1ccc(cc1)NC(=O)c1cnc(nc1)SCc1cc(ccc1B(O)O)OC(F)(F)F" . "Fc1ccc(cc1)NC(=O)c1cnc(nc1)SCc1cc(ccc1B(O)O)OC(F)(F)F" . "SDUDZBCEHIZMFZ-UHFFFAOYSA-N" . "InChI=1S/C19H14BF4N3O4S/c21-13-1-3-14(4-2-13)27-17(28)12-8-25-18(26-9-12)32-10-11-7-15(31-19(22,23)24)5-6-16(11)20(29)30/h1-9,29-30H,10H2,(H,27,28)" . "COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1[nH]c(=C2N=CC=N2)c2c1nccc2" . "COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1[nH]c(=C2N=CC=N2)c2c1nccc2" . "WSVDLXWYJRCDBZ-UHFFFAOYSA-N" . "InChI=1S/C22H22ClN7O2/c1-32-18-13-15(4-5-17(18)23)28-9-11-29(12-10-28)19(31)14-30-22-16(3-2-6-26-22)20(27-30)21-24-7-8-25-21/h2-8,13,27H,9-12,14H2,1H3" . "COCCOCCOCC#Cc1cccc2c1c(=O)n(c(n2)Cn1nc(c2c1ncnc2N)c1cc(O)cc(c1)F)Cc1ccccc1C(F)(F)F" . "COCCOCCOCC#Cc1cccc2c1c(=O)n(c(n2)Cn1nc(c2c1ncnc2N)c1cc(O)cc(c1)F)Cc1ccccc1C(F)(F)F" . "JTACVHJPXOKMTI-UHFFFAOYSA-N" . "InChI=1S/C36H31F4N7O5/c1-50-12-13-52-15-14-51-11-5-8-22-7-4-10-28-30(22)35(49)46(19-23-6-2-3-9-27(23)36(38,39)40)29(44-28)20-47-34-31(33(41)42-21-43-34)32(45-47)24-16-25(37)18-26(48)17-24/h2-4,6-7,9-10,16-18,21,48H,11-15,19-20H2,1H3,(H2,41,42,43)" . "COCCN(C(=O)CCCC#Cc1cccc2c1c(=O)n(c(n2)Cn1nc(c2c1ncnc2N)c1cccc(c1)O)Cc1ccccc1Cl)CCOC" . "COCCN(C(=O)CCCC#Cc1cccc2c1c(=O)n(c(n2)Cn1nc(c2c1ncnc2N)c1cccc(c1)O)Cc1ccccc1Cl)CCOC" . "UBLOHCIYTDRGJH-UHFFFAOYSA-N" . "InChI=1S/C39H39ClN8O5/c1-52-20-18-46(19-21-53-2)33(50)17-5-3-4-10-26-12-9-16-31-34(26)39(51)47(23-28-11-6-7-15-30(28)40)32(44-31)24-48-38-35(37(41)42-25-43-38)36(45-48)27-13-8-14-29(49)22-27/h6-9,11-16,22,25,49H,3,5,17-21,23-24H2,1-2H3,(H2,41,42,43)" . "C[NH+](CC1C(=O)OC2C1CCC(=C1C2C(C)(O)CC1)C)C" . "C[NH+](C[C@@H]1C(=O)O[C@H]2[C@H]1CCC(=C1[C@@H]2[C@](C)(O)CC1)C)C" . "ZPBIJIIQXPRJSS-WNZSCWOMSA-O" . "InChI=1S/C17H27NO3/c1-10-5-6-12-13(9-18(3)4)16(19)21-15(12)14-11(10)7-8-17(14,2)20/h12-15,20H,5-9H2,1-4H3/p+1/t12-,13-,14-,15-,17+/m0/s1" . "COc1ccccc1OCCNCC(CCOc1cccc2c1c1ccccc1[nH]2)O" . "COc1ccccc1OCCNCC(CCOc1cccc2c1c1ccccc1[nH]2)O" . "OHYHNEODRHJYSS-UHFFFAOYSA-N" . "InChI=1S/C25H28N2O4/c1-29-22-10-4-5-11-23(22)31-16-14-26-17-18(28)13-15-30-24-12-6-9-21-25(24)19-7-2-3-8-20(19)27-21/h2-12,18,26-28H,13-17H2,1H3" . "COC(=O)C1=C(C#N)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC(C)C)C" . "COC(=O)C1=C(C#N)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC(C)C)C" . "FAIIFDPAEUKBEP-UHFFFAOYSA-N" . "InChI=1S/C19H19N3O6/c1-10(2)28-19(24)15-11(3)21-14(9-20)17(18(23)27-4)16(15)12-6-5-7-13(8-12)22(25)26/h5-8,10,16,21H,1-4H3" . "COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC1CCCN(C1)Cc1ccccc1)C" . "COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC1CCCN(C1)Cc1ccccc1)C" . "QZVNQOLPLYWLHQ-UHFFFAOYSA-N" . "InChI=1S/C28H31N3O6/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20/h4-7,9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3" . "Clc1ccc(cc1)C1(CC1)c1nnc2n1cccc2C(O)(C)C" . "Clc1ccc(cc1)C1(CC1)c1nnc2n1cccc2C(O)(C)C" . "PTIFVLOBVCIMKL-UHFFFAOYSA-N" . "InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3" . "N#CNC1CCc2c1cc(cc2)c1ncnc2c1c(c[nH]2)c1ccccc1" . "N#CN[C@H]1CCc2c1cc(cc2)c1ncnc2c1c(c[nH]2)c1ccccc1" . "LOSIDNZHKAVMKF-IBGZPJMESA-N" . "InChI=1S/C22H17N5/c23-12-25-19-9-8-15-6-7-16(10-17(15)19)21-20-18(14-4-2-1-3-5-14)11-24-22(20)27-13-26-21/h1-7,10-11,13,19,25H,8-9H2,(H,24,26,27)/t19-/m0/s1" . "N#CNC1CC(c2c1cc(cc2)c1ncnc2c1cc[nH]2)NS(=O)(=O)c1cccc(c1)F" . "N#CN[C@H]1C[C@H](c2c1cc(cc2)c1ncnc2c1cc[nH]2)NS(=O)(=O)c1cccc(c1)F" . "MLJSOTTYIVCEQO-VQTJNVASSA-N" . "InChI=1S/C22H17FN6O2S/c23-14-2-1-3-15(9-14)32(30,31)29-20-10-19(26-11-24)18-8-13(4-5-16(18)20)21-17-6-7-25-22(17)28-12-27-21/h1-9,12,19-20,26,29H,10H2,(H,25,27,28)/t19-,20+/m0/s1" . "CCn1cc(c2c1ncnc2N)c1ccc2c(c1)CCN2C(=O)Cc1cccc(c1)OC(F)(F)F" . "CCn1cc(c2c1ncnc2N)c1ccc2c(c1)CCN2C(=O)Cc1cccc(c1)OC(F)(F)F" . "APPXQUDJLJXULP-UHFFFAOYSA-N" . "InChI=1S/C25H22F3N5O2/c1-2-32-13-19(22-23(29)30-14-31-24(22)32)16-6-7-20-17(12-16)8-9-33(20)21(34)11-15-4-3-5-18(10-15)35-25(26,27)28/h3-7,10,12-14H,2,8-9,11H2,1H3,(H2,29,30,31)" . "O=C(Nc1sc(c(n1)c1ccc2c(c1)CCN2C(=O)c1ccccc1C)C)Cc1ccc2c(c1)OCO2" . "O=C(Nc1sc(c(n1)c1ccc2c(c1)CCN2C(=O)c1ccccc1C)C)Cc1ccc2c(c1)OCO2" . "LINHYWKZVCNAMQ-UHFFFAOYSA-N" . "InChI=1S/C29H25N3O4S/c1-17-5-3-4-6-22(17)28(34)32-12-11-20-15-21(8-9-23(20)32)27-18(2)37-29(31-27)30-26(33)14-19-7-10-24-25(13-19)36-16-35-24/h3-10,13,15H,11-12,14,16H2,1-2H3,(H,30,31,33)" . "O=C(Cn1cnc2c(c1=O)cc(c(c2)Br)Cl)CC1NCCCC1O" . "O=C(Cn1cnc2c(c1=O)cc(c(c2)Br)Cl)CC1NCCCC1O" . "LVASCWIMLIKXLA-UHFFFAOYSA-N" . "InChI=1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2" . "O[C@@H]1CCN(C1)c1nc2nc(oc2cc1NC(=O)c1coc(n1)c1ccnc(c1)C)N1CCOCC1" . "O[C@@H]1CCN(C1)c1nc2nc(oc2cc1NC(=O)c1coc(n1)c1ccnc(c1)C)N1CCOCC1" . "SJHNWSAWWOAWJH-MRXNPFEDSA-N" . "InChI=1S/C24H25N7O5/c1-14-10-15(2-4-25-14)23-27-18(13-35-23)22(33)26-17-11-19-20(28-21(17)31-5-3-16(32)12-31)29-24(36-19)30-6-8-34-9-7-30/h2,4,10-11,13,16,32H,3,5-9,12H2,1H3,(H,26,33)/t16-/m1/s1" . "COc1cc(C=O)ccc1O" . "COc1cc(C=O)ccc1O" . "MWOOGOJBHIARFG-UHFFFAOYSA-N" . "InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3" . "CSc1cc(C)nc(c1NC(=O)CN1CCN(CC1)CCSc1nc2c([nH]1)cccc2)SC" . "CSc1cc(C)nc(c1NC(=O)CN1CCN(CC1)CCSc1nc2c([nH]1)cccc2)SC" . "VGGMTOYKEDKFLN-UHFFFAOYSA-N" . "InChI=1S/C23H30N6OS3/c1-16-14-19(31-2)21(22(24-16)32-3)27-20(30)15-29-10-8-28(9-11-29)12-13-33-23-25-17-6-4-5-7-18(17)26-23/h4-7,14H,8-13,15H2,1-3H3,(H,25,26)(H,27,30)" . "O=C(Nc1ccc(cc1)F)Nc1ccc(cc1)S(=O)(=O)N" . "O=C(Nc1ccc(cc1)F)Nc1ccc(cc1)S(=O)(=O)N" . "YJQZNWPYLCNRLP-UHFFFAOYSA-N" . "InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)" . "COc1cc2c(=O)n(CC3CCCCC3)c3c(c2cc1OC)cnc1c3cc[nH]1" . "COc1cc2c(=O)n(CC3CCCCC3)c3c(c2cc1OC)cnc1c3cc[nH]1" . "RSFALMGMTQBFJZ-UHFFFAOYSA-N" . "InChI=1S/C23H25N3O3/c1-28-19-10-16-17(11-20(19)29-2)23(27)26(13-14-6-4-3-5-7-14)21-15-8-9-24-22(15)25-12-18(16)21/h8-12,14H,3-7,13H2,1-2H3,(H,24,25)" . "N#CC1CN(C1)C(=O)C(n1c(=O)c2cc(OC)c(cc2c2c1c1cc[nH]c1nc2)OC)CC" . "N#CC1CN(C1)C(=O)[C@H](n1c(=O)c2cc(OC)c(cc2c2c1c1cc[nH]c1nc2)OC)CC" . "ZDNBWZRRFSXDFS-GOSISDBHSA-N" . "InChI=1S/C24H23N5O4/c1-4-18(24(31)28-11-13(9-25)12-28)29-21-14-5-6-26-22(14)27-10-17(21)15-7-19(32-2)20(33-3)8-16(15)23(29)30/h5-8,10,13,18H,4,11-12H2,1-3H3,(H,26,27)/t18-/m1/s1" . "Clc1ccccc1CN1CCC(CC1)CNCc1cccc(c1)c1ccccc1" . "Clc1ccccc1CN1CCC(CC1)CNCc1cccc(c1)c1ccccc1" . "XBEBHNXBLIDZDS-UHFFFAOYSA-N" . "InChI=1S/C26H29ClN2/c27-26-12-5-4-10-25(26)20-29-15-13-21(14-16-29)18-28-19-22-7-6-11-24(17-22)23-8-2-1-3-9-23/h1-12,17,21,28H,13-16,18-20H2" . "CC(=O)N1CCN(CC1)Cc1ccc(cc1)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O" . "CC(=O)N1CCN(CC1)Cc1ccc(cc1)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O" . "LTFVNEZXOPUABB-UHFFFAOYSA-N" . "InChI=1S/C22H22F6N2O2/c1-15(31)30-12-10-29(11-13-30)14-16-2-4-17(5-3-16)18-6-8-19(9-7-18)20(32,21(23,24)25)22(26,27)28/h2-9,32H,10-14H2,1H3" . "Fc1cc(ccc1c1ccc(cc1)CN1CCN(CC1)Cc1ccncc1)C(C(F)(F)F)(C(F)(F)F)O" . "Fc1cc(ccc1c1ccc(cc1)CN1CCN(CC1)Cc1ccncc1)C(C(F)(F)F)(C(F)(F)F)O" . "KVHKWAZUPPBMLL-UHFFFAOYSA-N" . "InChI=1S/C26H24F7N3O/c27-23-15-21(24(37,25(28,29)30)26(31,32)33)5-6-22(23)20-3-1-18(2-4-20)16-35-11-13-36(14-12-35)17-19-7-9-34-10-8-19/h1-10,15,37H,11-14,16-17H2" . "CC(=O)Nc1nc(c(s1)S(=O)(=O)Nc1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)C" . "CC(=O)Nc1nc(c(s1)S(=O)(=O)Nc1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)C" . "OZBSSKGBKHOLGA-UHFFFAOYSA-N" . "InChI=1S/C15H13F6N3O4S2/c1-7-11(29-12(22-7)23-8(2)25)30(27,28)24-10-5-3-9(4-6-10)13(26,14(16,17)18)15(19,20)21/h3-6,24,26H,1-2H3,(H,22,23,25)" . "Nc1ncc(c(c1)C(F)F)c1nc(nc(n1)N1C2COCC1CC2)N1C2COCC1CC2" . "Nc1ncc(c(c1)C(F)F)c1nc(nc(n1)N1C2COCC1CC2)N1C2COCC1CC2" . "UGDKPWVVBKHRDK-UHFFFAOYSA-N" . "InChI=1S/C21H25F2N7O2/c22-18(23)15-5-17(24)25-6-16(15)19-26-20(29-11-1-2-12(29)8-31-7-11)28-21(27-19)30-13-3-4-14(30)10-32-9-13/h5-6,11-14,18H,1-4,7-10H2,(H2,24,25)" . "CN(CC=CC(=O)Nc1cccc(c1)C(c1cc2c(s1)c(ccn2)C(=O)O)OCCN1CCCCC1)C" . "CN(C/C=C/C(=O)Nc1cccc(c1)C(c1cc2c(s1)c(ccn2)C(=O)O)OCCN1CCCCC1)C" . "KIIDGZQVWULCMZ-JXMROGBWSA-N" . "InChI=1S/C28H34N4O4S/c1-31(2)13-7-10-25(33)30-21-9-6-8-20(18-21)26(36-17-16-32-14-4-3-5-15-32)24-19-23-27(37-24)22(28(34)35)11-12-29-23/h6-12,18-19,26H,3-5,13-17H2,1-2H3,(H,30,33)(H,34,35)/b10-7+" . "O=C(c1cc2c(o1)C(=O)c1c(C2=O)cccc1)NCCN1CCCCC1" . "O=C(c1cc2c(o1)C(=O)c1c(C2=O)cccc1)NCCN1CCCCC1" . "MLNGLWWCXHUBMT-UHFFFAOYSA-N" . "InChI=1S/C20H20N2O4/c23-17-13-6-2-3-7-14(13)18(24)19-15(17)12-16(26-19)20(25)21-8-11-22-9-4-1-5-10-22/h2-3,6-7,12H,1,4-5,8-11H2,(H,21,25)" . "CCCCCC(c1c(C=CC(C(CCCC(=O)OC)O)O)nc(n1C)C)O" . "CCCCC[C@H](c1c(/C=C/[C@H]([C@H](CCCC(=O)OC)O)O)nc(n1C)C)O" . "PLBGFBROZZUTKG-PHCFSIKCSA-N" . "InChI=1S/C20H34N2O5/c1-5-6-7-9-18(25)20-15(21-14(2)22(20)3)12-13-17(24)16(23)10-8-11-19(26)27-4/h12-13,16-18,23-25H,5-11H2,1-4H3/b13-12+/t16-,17+,18+/m0/s1" . "N#Cc1cc(cnc1N1CCN(CC1)c1noc(n1)C(C)C)c1ccc(c(c1)F)n1cnn(c1=O)C1COCC1" . "N#Cc1cc(cnc1N1CCN(CC1)c1noc(n1)C(C)C)c1ccc(c(c1)F)n1cnn(c1=O)[C@@H]1COCC1" . "READJNFYOAOOFN-NRFANRHFSA-N" . "InChI=1S/C27H28FN9O3/c1-17(2)25-32-26(33-40-25)35-8-6-34(7-9-35)24-19(13-29)11-20(14-30-24)18-3-4-23(22(28)12-18)36-16-31-37(27(36)38)21-5-10-39-15-21/h3-4,11-12,14,16-17,21H,5-10,15H2,1-2H3/t21-/m0/s1" . "C=CC(=O)Nc1cc(Nc2nccc(n2)n2cc(c(n2)c2ccccc2)CN(C)C)c(cc1N1CCOCC1)OC" . "C=CC(=O)Nc1cc(Nc2nccc(n2)n2cc(c(n2)c2ccccc2)CN(C)C)c(cc1N1CCOCC1)OC" . "RRMJMHOQSALEJJ-UHFFFAOYSA-N" . "InChI=1S/C30H34N8O3/c1-5-28(39)32-23-17-24(26(40-4)18-25(23)37-13-15-41-16-14-37)33-30-31-12-11-27(34-30)38-20-22(19-36(2)3)29(35-38)21-9-7-6-8-10-21/h5-12,17-18,20H,1,13-16,19H2,2-4H3,(H,32,39)(H,31,33,34)" . "FC(c1nccc2c1ccc(c2)Nc1n[nH]c2c1cccn2)(F)F" . "FC(c1nccc2c1ccc(c2)Nc1n[nH]c2c1cccn2)(F)F" . "RUEXKBWCUUFJMY-UHFFFAOYSA-N" . "InChI=1S/C16H10F3N5/c17-16(18,19)13-11-4-3-10(8-9(11)5-7-20-13)22-15-12-2-1-6-21-14(12)23-24-15/h1-8H,(H2,21,22,23,24)" . "NC(=O)CCC(C(=O)O)N" . "NC(=O)CC[C@@H](C(=O)O)N" . "ZDXPYRJPNDTMRX-VKHMYHEASA-N" . "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1" . "Fc1ccc(cc1)c1cc(C(=O)N)c2c(c1)c(c[nH]2)C1CCS(=O)(=O)C(C1)(C)C" . "Fc1ccc(cc1)c1cc(C(=O)N)c2c(c1)c(c[nH]2)[C@@H]1CCS(=O)(=O)C(C1)(C)C" . "YGYGASJNJTYNOL-CQSZACIVSA-N" . "InChI=1S/C22H23FN2O3S/c1-22(2)11-14(7-8-29(22,27)28)19-12-25-20-17(19)9-15(10-18(20)21(24)26)13-3-5-16(23)6-4-13/h3-6,9-10,12,14,25H,7-8,11H2,1-2H3,(H2,24,26)/t14-/m1/s1" . "O=C(Nc1cc(ccc1F)C(F)(F)F)Nc1ccc(cc1)c1coc2c1c(N)ncn2" . "O=C(Nc1cc(ccc1F)C(F)(F)F)Nc1ccc(cc1)c1coc2c1c(N)ncn2" . "KNDPXYAMINMLED-UHFFFAOYSA-N" . "InChI=1S/C20H13F4N5O2/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)" . "O=C(C(C)(C)C)N1N=CCC1c1ccccc1" . "O=C(C(C)(C)C)N1N=CC[C@H]1c1ccccc1" . "NJQVSLWJBLPTMD-LBPRGKRZSA-N" . "InChI=1S/C14H18N2O/c1-14(2,3)13(17)16-12(9-10-15-16)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3/t12-/m0/s1" . "CCCC(Nc1ncc2c(n1)n(cc2c1ccc(cc1)CN1CCCN(CC1)C)C1CCC(CC1)O)C" . "CCC[C@@H](Nc1ncc2c(n1)n(cc2c1ccc(cc1)CN1CCCN(CC1)C)[C@@H]1CC[C@H](CC1)O)C" . "HYUGTGGDEAGXJP-HRNNMHKYSA-N" . "InChI=1S/C30H44N6O/c1-4-6-22(2)32-30-31-19-27-28(21-36(29(27)33-30)25-11-13-26(37)14-12-25)24-9-7-23(8-10-24)20-35-16-5-15-34(3)17-18-35/h7-10,19,21-22,25-26,37H,4-6,11-18,20H2,1-3H3,(H,31,32,33)/t22-,25-,26-/m0/s1" . "COCC(=O)NCCc1c(C)[nH]c2c1cc(O)cc2" . "COCC(=O)NCCc1c(C)[nH]c2c1cc(O)cc2" . "YBXBWBBVLXZQBJ-UHFFFAOYSA-N" . "InChI=1S/C14H18N2O3/c1-9-11(5-6-15-14(18)8-19-2)12-7-10(17)3-4-13(12)16-9/h3-4,7,16-17H,5-6,8H2,1-2H3,(H,15,18)" . "O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C" . "O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C" . "FYDWDCIFZSGNBU-UHFFFAOYSA-N" . "InChI=1S/C35H43N5O4/c1-38(34(42)29-13-11-26(12-14-29)25-40-19-15-28(16-20-40)33(36)41)23-24-39-21-17-30(18-22-39)44-35(43)37-32-10-6-5-9-31(32)27-7-3-2-4-8-27/h2-14,28,30H,15-25H2,1H3,(H2,36,41)(H,37,43)" . "COc1cc(cc2c1n(CC=CCn1c(NC(=O)c3cc(nn3CC)C)nc3c1c(OCCCN1CCOCC1)cc(c3)C(=O)N)c(n2)NC(=O)c1cc(nn1CC)C)C(=O)N" . "COc1cc(cc2c1n(C/C=C/Cn1c(NC(=O)c3cc(nn3CC)C)nc3c1c(OCCCN1CCOCC1)cc(c3)C(=O)N)c(n2)NC(=O)c1cc(nn1CC)C)C(=O)N" . "JGLMVXWAHNTPRF-CMDGGOBGSA-N" . "InChI=1S/C42H51N13O7/c1-6-54-31(19-25(3)49-54)39(58)47-41-45-29-21-27(37(43)56)23-33(60-5)35(29)52(41)12-8-9-13-53-36-30(46-42(53)48-40(59)32-20-26(4)50-55(32)7-2)22-28(38(44)57)24-34(36)62-16-10-11-51-14-17-61-18-15-51/h8-9,19-24H,6-7,10-18H2,1-5H3,(H2,43,56)(H2,44,57)(H,45,47,58)(H,46,48,59)/b9-8+" . "CCn1nc(cc1C(=O)Nc1nc2c(n1CCCCn1c(NC(=O)c3cc(nn3CC)C)nc3c1ccc(c3)C(=O)N)ccc(c2)C(=O)N)C" . "CCn1nc(cc1C(=O)Nc1nc2c(n1CCCCn1c(NC(=O)c3cc(nn3CC)C)nc3c1ccc(c3)C(=O)N)ccc(c2)C(=O)N)C" . "ICZSAXDKFXTSGL-UHFFFAOYSA-N" . "InChI=1S/C34H38N12O4/c1-5-45-27(15-19(3)41-45)31(49)39-33-37-23-17-21(29(35)47)9-11-25(23)43(33)13-7-8-14-44-26-12-10-22(30(36)48)18-24(26)38-34(44)40-32(50)28-16-20(4)42-46(28)6-2/h9-12,15-18H,5-8,13-14H2,1-4H3,(H2,35,47)(H2,36,48)(H,37,39,49)(H,38,40,50)" . "[O-][N+](=O)c1ccc2c(c1)C(=O)c1n2c(=O)c2c(n1)cccc2" . "[O-][N+](=O)c1ccc2c(c1)C(=O)c1n2c(=O)c2c(n1)cccc2" . "UFMQJYHLIUACCG-UHFFFAOYSA-N" . "InChI=1S/C15H7N3O4/c19-13-10-7-8(18(21)22)5-6-12(10)17-14(13)16-11-4-2-1-3-9(11)15(17)20/h1-7H" . "Cc1csc2c1cc(cc2)c1cc(Nc2cnccc2S(=O)(=O)C)cc2c1nccn2" . "Cc1csc2c1cc(cc2)c1cc(Nc2cnccc2S(=O)(=O)C)cc2c1nccn2" . "CYJRNFFLTBEQSQ-UHFFFAOYSA-N" . "InChI=1S/C23H18N4O2S2/c1-14-13-30-21-4-3-15(9-17(14)21)18-10-16(11-19-23(18)26-8-7-25-19)27-20-12-24-6-5-22(20)31(2,28)29/h3-13,27H,1-2H3" . "O=C(N1CCC(CC1)Cc1cccc(c1)Oc1ccc(cn1)C(F)(F)F)Nc1ccc(cc1)OC(F)(F)F" . "O=C(N1CCC(CC1)Cc1cccc(c1)Oc1ccc(cn1)C(F)(F)F)Nc1ccc(cc1)OC(F)(F)F" . "LWLSVNFEVKJDBZ-UHFFFAOYSA-N" . "InChI=1S/C26H23F6N3O3/c27-25(28,29)19-4-9-23(33-16-19)37-22-3-1-2-18(15-22)14-17-10-12-35(13-11-17)24(36)34-20-5-7-21(8-6-20)38-26(30,31)32/h1-9,15-17H,10-14H2,(H,34,36)" . "COC(=O)c1cc(ccc1S(=O)(=O)Nc1cc(Br)c(cc1C)F)NS(=O)(=O)c1cc(Cl)cc(c1)Cl" . "COC(=O)c1cc(ccc1S(=O)(=O)Nc1cc(Br)c(cc1C)F)NS(=O)(=O)c1cc(Cl)cc(c1)Cl" . "FKFQBYBODAKGOA-UHFFFAOYSA-N" . "InChI=1S/C21H16BrCl2FN2O6S2/c1-11-5-18(25)17(22)10-19(11)27-35(31,32)20-4-3-14(9-16(20)21(28)33-2)26-34(29,30)15-7-12(23)6-13(24)8-15/h3-10,26-27H,1-2H3" . "CCc1ccc(cc1)NC(=O)Nc1c[nH]c2c1cccc2" . "CCc1ccc(cc1)NC(=O)Nc1c[nH]c2c1cccc2" . "UJZDIKVQFMCLBE-UHFFFAOYSA-N" . "InChI=1S/C17H17N3O/c1-2-12-7-9-13(10-8-12)19-17(21)20-16-11-18-15-6-4-3-5-14(15)16/h3-11,18H,2H2,1H3,(H2,19,20,21)" . "Clc1cccc(c1)CCCCCC(=O)N1CCOC1=O" . "Clc1cccc(c1)CCCCCC(=O)N1CCOC1=O" . "XNQIFNVZSXXYRQ-UHFFFAOYSA-N" . "InChI=1S/C15H18ClNO3/c16-13-7-4-6-12(11-13)5-2-1-3-8-14(18)17-9-10-20-15(17)19/h4,6-7,11H,1-3,5,8-10H2" . "CCS(=O)(=O)c1ccccc1C(=O)N1CCN(CC1C)c1sc2c(n1)ccc(c2)F" . "CCS(=O)(=O)c1ccccc1C(=O)N1CCN(C[C@@H]1C)c1sc2c(n1)ccc(c2)F" . "UKQOLPNYRVPCBM-AWEZNQCLSA-N" . "InChI=1S/C21H22FN3O3S2/c1-3-30(27,28)19-7-5-4-6-16(19)20(26)25-11-10-24(13-14(25)2)21-23-17-9-8-15(22)12-18(17)29-21/h4-9,12,14H,3,10-11,13H2,1-2H3/t14-/m0/s1" . "OC1CCC(CC1)Nc1ccc(cc1C(=O)N)c1ccc(cc1)C(C)C" . "O[C@@H]1CC[C@H](CC1)Nc1ccc(cc1C(=O)N)c1ccc(cc1)C(C)C" . "JMGDXIHGWTVBMX-WGSAOQKQSA-N" . "InChI=1S/C22H28N2O2/c1-14(2)15-3-5-16(6-4-15)17-7-12-21(20(13-17)22(23)26)24-18-8-10-19(25)11-9-18/h3-7,12-14,18-19,24-25H,8-11H2,1-2H3,(H2,23,26)/t18-,19-" . "NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)C(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(CO)N)CC(=O)N)CO)CCC(=O)O)CO)Cc1ccccc1)CCCCNNC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)CC(=O)N)C(O)C)CO)CCC(=O)O)CO)Cc1ccccc1)Cc1ccccc1)CCCNC(=N)N)CCC(=O)N)CC(C)C)C)NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(CCC(=O)O)NN)CCCCN)CCC(=O)N)C" . "NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](O)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(=O)N)CO)CCC(=O)O)CO)Cc1ccccc1)CCCCNN[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C=O)CO)CC(=O)N)[C@@H](O)C)CO)CCC(=O)O)CO)Cc1ccccc1)Cc1ccccc1)CCCNC(=N)N)CCC(=O)N)CC(C)C)C)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NN)CCCCN)CCC(=O)N)C" . "YQYGGOPUTPQHAY-KIQLFZLRSA-N" . "InChI=1S/C142H226N40O48/c1-12-71(6)110(176-124(213)83(36-22-25-51-143)158-125(214)89(180-152)45-50-108(201)202)137(226)163-85(41-46-102(146)193)118(207)156-73(8)116(205)165-90(38-23-26-52-144)141(230)182-55-29-40-101(182)135(224)155-72(7)114(203)115(204)91(56-69(2)3)166-120(209)86(42-47-103(147)194)164-138(227)113(76(11)192)179-136(225)109(70(4)5)175-123(212)84(39-28-53-153-142(150)151)160-127(216)92(57-77-30-16-13-17-31-77)168-119(208)82(159-128(217)93(58-78-32-18-14-19-33-78)169-133(222)98(66-187)171-121(210)87(43-48-106(197)198)162-132(221)99(67-188)174-140(229)112(75(10)191)177-129(218)95(61-105(149)196)167-117(206)81(145)64-185)37-24-27-54-154-181-96(59-79-34-20-15-21-35-79)130(219)173-97(65-186)131(220)161-88(44-49-107(199)200)122(211)172-100(68-189)134(223)178-111(74(9)190)139(228)170-94(60-104(148)195)126(215)157-80(62-183)63-184/h13-21,30-35,62,69-76,80-101,109-113,154,180-181,184-192H,12,22-29,36-61,63-68,143-145,152H2,1-11H3,(H2,146,193)(H2,147,194)(H2,148,195)(H2,149,196)(H,155,224)(H,156,207)(H,157,215)(H,158,214)(H,159,217)(H,160,216)(H,161,220)(H,162,221)(H,163,226)(H,164,227)(H,165,205)(H,166,209)(H,167,206)(H,168,208)(H,169,222)(H,170,228)(H,171,210)(H,172,211)(H,173,219)(H,174,229)(H,175,212)(H,176,213)(H,177,218)(H,178,223)(H,179,225)(H,197,198)(H,199,200)(H,201,202)(H4,150,151,153)/t71-,72-,73-,74+,75+,76+,80-,81+,82?,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,109+,110+,111+,112+,113+/m1/s1" . "CCOc1cc(CN2CCC3(CC2)NC(=O)N(C3)c2ccc(cc2)C(=O)O)c(cc1C)C1CC1" . "CCOc1cc(CN2CCC3(CC2)NC(=O)N(C3)c2ccc(cc2)C(=O)O)c(cc1C)C1CC1" . "WERPJWHERZIQSB-UHFFFAOYSA-N" . "InChI=1S/C27H33N3O4/c1-3-34-24-15-21(23(14-18(24)2)19-4-5-19)16-29-12-10-27(11-13-29)17-30(26(33)28-27)22-8-6-20(7-9-22)25(31)32/h6-9,14-15,19H,3-5,10-13,16-17H2,1-2H3,(H,28,33)(H,31,32)" . "NCCC(C(=O)NC(C(=O)N)Cc1ccccc1)NS(=O)(=O)c1ccc(c2c1cccc2)C" . "NCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NS(=O)(=O)c1ccc(c2c1cccc2)C" . "VTNCZBXJSGKDLS-SFTDATJTSA-N" . "InChI=1S/C24H28N4O4S/c1-16-11-12-22(19-10-6-5-9-18(16)19)33(31,32)28-20(13-14-25)24(30)27-21(23(26)29)15-17-7-3-2-4-8-17/h2-12,20-21,28H,13-15,25H2,1H3,(H2,26,29)(H,27,30)/t20-,21-/m0/s1" . "Fc1ccc(cc1)c1cnc([nH]1)C1Cc2c3ccccc3[nH]c2C(N1)(c1noc(n1)C)c1cnn(c1)C" . "Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C" . "NTIFDLOQPKMIJK-AJTFRIOCSA-N" . "InChI=1S/C27H23FN8O/c1-15-31-26(35-37-15)27(17-12-30-36(2)14-17)24-20(19-5-3-4-6-21(19)32-24)11-22(34-27)25-29-13-23(33-25)16-7-9-18(28)10-8-16/h3-10,12-14,22,32,34H,11H2,1-2H3,(H,29,33)/t22-,27-/m1/s1" . "Clc1cccc(c1CSc1nnc(o1)c1[nH]ccc1)Cl" . "Clc1cccc(c1CSc1nnc(o1)c1[nH]ccc1)Cl" . "MNPOBXLPCWFONX-UHFFFAOYSA-N" . "InChI=1S/C13H9Cl2N3OS/c14-9-3-1-4-10(15)8(9)7-20-13-18-17-12(19-13)11-5-2-6-16-11/h1-6,16H,7H2" . "OC(=O)c1cc(oc1C)c1cccs1" . "OC(=O)c1cc(oc1C)c1cccs1" . "YXDCRSXNEOKXDE-UHFFFAOYSA-N" . "InChI=1S/C10H8O3S/c1-6-7(10(11)12)5-8(13-6)9-3-2-4-14-9/h2-5H,1H3,(H,11,12)" . "OC(=O)COc1cccc(c1)NC(=O)c1cc(ccc1F)c1cccc(c1)F" . "OC(=O)COc1cccc(c1)NC(=O)c1cc(ccc1F)c1cccc(c1)F" . "HZJWJNHYKNSGAT-UHFFFAOYSA-N" . "InChI=1S/C21H15F2NO4/c22-15-4-1-3-13(9-15)14-7-8-19(23)18(10-14)21(27)24-16-5-2-6-17(11-16)28-12-20(25)26/h1-11H,12H2,(H,24,27)(H,25,26)" . "CCCCOc1cc2C(=O)OC(Cc2c(c1OC)C=O)O" . "CCCCOc1cc2C(=O)OC(Cc2c(c1OC)C=O)O" . "DAVCIYWSVYDJKW-UHFFFAOYSA-N" . "InChI=1S/C15H18O6/c1-3-4-5-20-12-6-10-9(7-13(17)21-15(10)18)11(8-16)14(12)19-2/h6,8,13,17H,3-5,7H2,1-2H3" . "COc1cccc(c1C1=CC2C(C=C1)CCNCC2)OCc1nccc(c1)C" . "COc1cccc(c1C1=CC2C(C=C1)CCNCC2)OCc1nccc(c1)C" . "CQLSAYKHANAIMX-UHFFFAOYSA-N" . "InChI=1S/C24H28N2O2/c1-17-8-13-26-21(14-17)16-28-23-5-3-4-22(27-2)24(23)20-7-6-18-9-11-25-12-10-19(18)15-20/h3-8,13-15,18-19,25H,9-12,16H2,1-2H3" . "O=C(N1C(CSC1c1ccccc1Cl)C(=O)O)c1ccc(cc1)c1c(C)noc1C" . "O=C(N1[C@H](CS[C@H]1c1ccccc1Cl)C(=O)O)c1ccc(cc1)c1c(C)noc1C" . "RZAMDGBOOPJHJQ-NQIIRXRSSA-N" . "InChI=1S/C22H19ClN2O4S/c1-12-19(13(2)29-24-12)14-7-9-15(10-8-14)20(26)25-18(22(27)28)11-30-21(25)16-5-3-4-6-17(16)23/h3-10,18,21H,11H2,1-2H3,(H,27,28)/t18-,21+/m1/s1" . "O=C(C1CCC(CC1)(F)F)NC(c1ccsc1)CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C" . "O=C(C1CCC(CC1)(F)F)N[C@H](c1ccsc1)CCN1[C@@H]2CC[C@H]1C[C@@H](C2)n1c(C)nnc1C(C)C" . "KESMRFWRGXZDEF-KIHHCIJBSA-N" . "InChI=1S/C27H39F2N5OS/c1-17(2)25-32-31-18(3)34(25)23-14-21-4-5-22(15-23)33(21)12-8-24(20-9-13-36-16-20)30-26(35)19-6-10-27(28,29)11-7-19/h9,13,16-17,19,21-24H,4-8,10-12,14-15H2,1-3H3,(H,30,35)/t21-,22+,23-,24-/m0/s1" . "CN1CCN(CC1)Cc1cc(NC(=O)c2ccc(c(c2)C#Cc2cnc3n2ccnc3)C(C)C)cc(c1)C(F)(F)F" . "CN1CCN(CC1)Cc1cc(NC(=O)c2ccc(c(c2)C#Cc2cnc3n2ccnc3)C(C)C)cc(c1)C(F)(F)F" . "IUGBGEUCXVKGQK-UHFFFAOYSA-N" . "InChI=1S/C31H31F3N6O/c1-21(2)28-7-5-24(16-23(28)4-6-27-18-36-29-19-35-8-9-40(27)29)30(41)37-26-15-22(14-25(17-26)31(32,33)34)20-39-12-10-38(3)11-13-39/h5,7-9,14-19,21H,10-13,20H2,1-3H3,(H,37,41)" . "NC(=O)NCCCC(C(=O)O)N" . "NC(=O)NCCC[C@@H](C(=O)O)N" . "RHGKLRLOHDJJDR-BYPYZUCNSA-N" . "InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1" . "Cc1cncc(c1)CN1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1" . "Cc1cncc(c1)CN1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1" . "WUZYKBABMWJHDL-UHFFFAOYSA-N" . "InChI=1S/C26H26ClN3/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3" . "Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(=O)[nH]1)C" . "Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(=O)[nH]1)C" . "PVLJETXTTWAYEW-UHFFFAOYSA-N" . "InChI=1S/C24H25FN6O/c1-29(23-26-13-10-22(32)28-23)19-11-14-30(15-12-19)24-27-20-4-2-3-5-21(20)31(24)16-17-6-8-18(25)9-7-17/h2-10,13,19H,11-12,14-16H2,1H3,(H,26,28,32)" . "CN(CCC1=C(C(c2ccccn2)C)c2c(C1)cccc2)C" . "CN(CCC1=C(C(c2ccccn2)C)c2c(C1)cccc2)C" . "MVMQESMQSYOVGV-UHFFFAOYSA-N" . "InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3" . "O=C(C1CCc2n1c(=O)ccn2)Nc1ccc(cc1)CC1CCC(N1)C(c1ccccc1)O" . "O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O" . "DJXRIQMCROIRCZ-XOEOCAAJSA-N" . "InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1" . "O=C1OC(CN1c1ccc(cc1)n1ccccc1=O)CNC(=O)c1ccc(s1)Cl" . "O=C1O[C@H](CN1c1ccc(cc1)n1ccccc1=O)CNC(=O)c1ccc(s1)Cl" . "MXWOUAQNXIUJIN-HNNXBMFYSA-N" . "InChI=1S/C20H16ClN3O4S/c21-17-9-8-16(29-17)19(26)22-11-15-12-24(20(27)28-15)14-6-4-13(5-7-14)23-10-2-1-3-18(23)25/h1-10,15H,11-12H2,(H,22,26)/t15-/m0/s1" . "CCOc1c(C2CNC(=O)C2)c(F)c(cc1[C@@H](n1nc(c2c1ncnc2N)C)C)Cl" . "CCOc1c(C2CNC(=O)C2)c(F)c(cc1[C@@H](n1nc(c2c1ncnc2N)C)C)Cl" . "ZQPDJCIXJHUERQ-VUWPPUDQSA-N" . "InChI=1S/C20H22ClFN6O2/c1-4-30-18-12(6-13(21)17(22)16(18)11-5-14(29)24-7-11)10(3)28-20-15(9(2)27-28)19(23)25-8-26-20/h6,8,10-11H,4-5,7H2,1-3H3,(H,24,29)(H2,23,25,26)/t10-,11?/m0/s1" . "Nc1ncc(cn1)c1nc(N2CCOCC2)c2c(n1)n1CCOC(c1n2)(C)C" . "Nc1ncc(cn1)c1nc(N2CCOCC2)c2c(n1)n1CCOC(c1n2)(C)C" . "LGWACEZVCMBSKW-UHFFFAOYSA-N" . "InChI=1S/C18H22N8O2/c1-18(2)16-22-12-14(25-3-6-27-7-4-25)23-13(11-9-20-17(19)21-10-11)24-15(12)26(16)5-8-28-18/h9-10H,3-8H2,1-2H3,(H2,19,20,21)" . "Fc1ccc2c(c1)c(=O)n(c(n2)C(Nc1ncnc2c1[nH]cn2)C)c1ccccc1" . "Fc1ccc2c(c1)c(=O)n(c(n2)[C@@H](Nc1ncnc2c1[nH]cn2)C)c1ccccc1" . "DOCINCLJNAXZQF-LBPRGKRZSA-N" . "InChI=1S/C21H16FN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-16-8-7-13(22)9-15(16)21(30)29(20)14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1" . "O=C1N=C(SC1=Cc1ccc2c(c1)cccn2)NCc1cccs1" . "O=C1N=C(SC1=Cc1ccc2c(c1)cccn2)NCc1cccs1" . "XOLMRFUGOINFDQ-UHFFFAOYSA-N" . "InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)" . "OCc1c(cccc1n1ccc2c(c1=O)c(F)cc(c2)C1CC1)c1nc(N)nc(n1)Nc1cnn(c1)C" . "OCc1c(cccc1n1ccc2c(c1=O)c(F)cc(c2)C1CC1)c1nc(N)nc(n1)Nc1cnn(c1)C" . "RQYDQAPLARKISN-UHFFFAOYSA-N" . "InChI=1S/C26H23FN8O2/c1-34-12-17(11-29-34)30-26-32-23(31-25(28)33-26)18-3-2-4-21(19(18)13-36)35-8-7-15-9-16(14-5-6-14)10-20(27)22(15)24(35)37/h2-4,7-12,14,36H,5-6,13H2,1H3,(H3,28,30,31,32,33)" . "NC(=O)CS(=O)C(c1ccccc1)c1ccccc1" . "NC(=O)CS(=O)C(c1ccccc1)c1ccccc1" . "YFGHCGITMMYXAQ-UHFFFAOYSA-N" . "InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)" . "Nc1ncc(nc1c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)N1CCNCC1" . "Nc1ncc(nc1c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)N1CCNCC1" . "GGOFGCMPKAWHEZ-UHFFFAOYSA-N" . "InChI=1S/C22H20F3N5O/c23-22(24,25)17-7-5-15(6-8-17)19-20(26)28-13-18(29-19)14-1-3-16(4-2-14)21(31)30-11-9-27-10-12-30/h1-8,13,27H,9-12H2,(H2,26,28)" . "Clc1ccc2c(c1)c(=O)cc(o2)C(Cl)(Cl)Cl" . "Clc1ccc2c(c1)c(=O)cc(o2)C(Cl)(Cl)Cl" . "NTDHYMSVCBGQJF-UHFFFAOYSA-N" . "InChI=1S/C10H4Cl4O2/c11-5-1-2-8-6(3-5)7(15)4-9(16-8)10(12,13)14/h1-4H" . "CCCCCCCCCCCC(CC(=O)NC1C(OCC(C(=O)O)NC(=O)CC(OC(=O)CCCCCCC)CCCCCCCCCCC)OC(C(C1OC(=O)CC(OC(=O)CCCCCCC)CCCCCCCCCCC)OP(=O)(O)O)CO)OC(=O)CCCCCCC" . "CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@H](OC[C@@H](C(=O)O)NC(=O)C[C@H](OC(=O)CCCCCCC)CCCCCCCCCCC)O[C@@H]([C@H]([C@@H]1OC(=O)C[C@H](OC(=O)CCCCCCC)CCCCCCCCCCC)OP(=O)(O)O)CO)OC(=O)CCCCCCC" . "WNFNQTGQGFHQLU-NRBIUWCVSA-N" . "InChI=1S/C75H139N2O19P/c1-7-13-19-25-28-31-34-40-43-49-60(91-67(81)52-46-37-22-16-10-4)55-65(79)76-63(74(85)86)59-90-75-71(77-66(80)56-61(92-68(82)53-47-38-23-17-11-5)50-44-41-35-32-29-26-20-14-8-2)73(72(64(58-78)94-75)96-97(87,88)89)95-70(84)57-62(93-69(83)54-48-39-24-18-12-6)51-45-42-36-33-30-27-21-15-9-3/h60-64,71-73,75,78H,7-59H2,1-6H3,(H,76,79)(H,77,80)(H,85,86)(H2,87,88,89)/t60-,61-,62-,63+,64-,71-,72-,73-,75-/m1/s1" . "O=C1NC(C(=O)N1CCCCc1ccc(c(c1)C#Cc1cnc2n1nccc2)C)Cc1c[nH]c2c1cccc2Cl" . "O=C1NC(C(=O)N1CCCCc1ccc(c(c1)C#Cc1cnc2n1nccc2)C)Cc1c[nH]c2c1cccc2Cl" . "ZQSZVECJMJELSV-UHFFFAOYSA-N" . "InChI=1S/C31H27ClN6O2/c1-20-10-11-21(16-22(20)12-13-24-19-33-28-9-5-14-35-38(24)28)6-2-3-15-37-30(39)27(36-31(37)40)17-23-18-34-29-25(23)7-4-8-26(29)32/h4-5,7-11,14,16,18-19,27,34H,2-3,6,15,17H2,1H3,(H,36,40)" . "NCC(c1ccc(c(c1)O)O)O" . "NCC(c1ccc(c(c1)O)O)O" . "SFLSHLFXELFNJZ-UHFFFAOYSA-N" . "InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2" . "Oc1ccc(c(c1)C(F)(F)F)Cn1ccc(n1)NC(=O)c1c(F)cccc1F" . "Oc1ccc(c(c1)C(F)(F)F)Cn1ccc(n1)NC(=O)c1c(F)cccc1F" . "CPYTVBALBFSXSH-UHFFFAOYSA-N" . "InChI=1S/C18H12F5N3O2/c19-13-2-1-3-14(20)16(13)17(28)24-15-6-7-26(25-15)9-10-4-5-11(27)8-12(10)18(21,22)23/h1-8,27H,9H2,(H,24,25,28)" . "Clc1cc2OC(Oc2cc1c1ncc(nc1)NC(=O)c1c(C)cccc1F)(F)F" . "Clc1cc2OC(Oc2cc1c1ncc(nc1)NC(=O)c1c(C)cccc1F)(F)F" . "QQMKTHUGOQDEIL-UHFFFAOYSA-N" . "InChI=1S/C19H11ClF3N3O3/c1-9-3-2-4-12(21)17(9)18(27)26-16-8-24-13(7-25-16)10-5-14-15(6-11(10)20)29-19(22,23)28-14/h2-8H,1H3,(H,25,26,27)" . "COc1ccc2c(n1)c(Nc1cc(CN3CCCC3)c(c(c1)CN1CCCC1)O)c1c(n2)cc(cc1)Cl" . "COc1ccc2c(n1)c(Nc1cc(CN3CCCC3)c(c(c1)CN1CCCC1)O)c1c(n2)cc(cc1)Cl" . "DJUFPMUQJKWIJB-UHFFFAOYSA-N" . "InChI=1S/C29H32ClN5O2/c1-37-26-9-8-24-28(33-26)27(23-7-6-21(30)16-25(23)32-24)31-22-14-19(17-34-10-2-3-11-34)29(36)20(15-22)18-35-12-4-5-13-35/h6-9,14-16,36H,2-5,10-13,17-18H2,1H3,(H,31,32)" . "O=C(c1cnc(cn1)Oc1ccc2c(c1C)B(O)OC2)N1CC(C1)(C)O" . "O=C(c1cnc(cn1)Oc1ccc2c(c1C)B(O)OC2)N1CC(C1)(C)O" . "VNWPYEKDGLKRAV-UHFFFAOYSA-N" . "InChI=1S/C17H18BN3O5/c1-10-13(4-3-11-7-25-18(24)15(10)11)26-14-6-19-12(5-20-14)16(22)21-8-17(2,23)9-21/h3-6,23-24H,7-9H2,1-2H3" . "C=CC(=O)NCCOc1ccc(cc1)c1[nH]c2c(C#N)cnn2c(=O)c1C(C)C" . "C=CC(=O)NCCOc1ccc(cc1)c1[nH]c2c(C#N)cnn2c(=O)c1C(C)C" . "GAWCCMHWAMQURK-UHFFFAOYSA-N" . "InChI=1S/C21H21N5O3/c1-4-17(27)23-9-10-29-16-7-5-14(6-8-16)19-18(13(2)3)21(28)26-20(25-19)15(11-22)12-24-26/h4-8,12-13,25H,1,9-10H2,2-3H3,(H,23,27)" . "CCC(c1onc(n1)c1ccc(c(c1)F)C(=O)NC(CO)C)Oc1ccc(cc1)C(=O)C1CC1" . "CC[C@H](c1onc(n1)c1ccc(c(c1)F)C(=O)N[C@@H](CO)C)Oc1ccc(cc1)C(=O)C1CC1" . "LRXRIKVDAVVQCP-SPLOXXLWSA-N" . "InChI=1S/C25H26FN3O5/c1-3-21(33-18-9-6-16(7-10-18)22(31)15-4-5-15)25-28-23(29-34-25)17-8-11-19(20(26)12-17)24(32)27-14(2)13-30/h6-12,14-15,21,30H,3-5,13H2,1-2H3,(H,27,32)/t14-,21-/m1/s1" . "NC1CCC(CC1)Nc1nc(NCc2ccc(cc2)c2ccccn2)n2c(n1)c(cn2)C(C)C" . "N[C@@H]1CC[C@H](CC1)Nc1nc(NCc2ccc(cc2)c2ccccn2)n2c(n1)c(cn2)C(C)C" . "PRJNNPMIUGYOST-MEMLXQNLSA-N" . "InChI=1S/C26H32N8/c1-17(2)22-16-30-34-24(22)32-25(31-21-12-10-20(27)11-13-21)33-26(34)29-15-18-6-8-19(9-7-18)23-5-3-4-14-28-23/h3-9,14,16-17,20-21H,10-13,15,27H2,1-2H3,(H2,29,31,32,33)/t20-,21-" . "O=C(Nc1ccc(cc1C)OCc1nc2c(s1)cccc2)Nc1ccc(c(c1)Cl)Cl" . "O=C(Nc1ccc(cc1C)OCc1nc2c(s1)cccc2)Nc1ccc(c(c1)Cl)Cl" . "FGXLEECGXSDIMM-UHFFFAOYSA-N" . "InChI=1S/C22H17Cl2N3O2S/c1-13-10-15(29-12-21-26-19-4-2-3-5-20(19)30-21)7-9-18(13)27-22(28)25-14-6-8-16(23)17(24)11-14/h2-11H,12H2,1H3,(H2,25,27,28)" . "COc1ccc(cc1)c1nc(sc1C(=O)c1ccccc1)N(c1ccccc1)c1ccccc1" . "COc1ccc(cc1)c1nc(sc1C(=O)c1ccccc1)N(c1ccccc1)c1ccccc1" . "GCBYJNQEZBSRJO-UHFFFAOYSA-N" . "InChI=1S/C29H22N2O2S/c1-33-25-19-17-21(18-20-25)26-28(27(32)22-11-5-2-6-12-22)34-29(30-26)31(23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20H,1H3" . "CCC(c1ccc(cc1)C)NC(=O)Nc1ccc(cc1)Cl" . "CCC(c1ccc(cc1)C)NC(=O)Nc1ccc(cc1)Cl" . "FKBYZUDELOWDJW-UHFFFAOYSA-N" . "InChI=1S/C17H19ClN2O/c1-3-16(13-6-4-12(2)5-7-13)20-17(21)19-15-10-8-14(18)9-11-15/h4-11,16H,3H2,1-2H3,(H2,19,20,21)" . "N#Cc1cccc(c1)C(=O)Nc1cnc2c(c1C(F)(F)F)c(cn2C)C1CCN(CC1)C(=O)C(C)C" . "N#Cc1cccc(c1)C(=O)Nc1cnc2c(c1C(F)(F)F)c(cn2C)C1CCN(CC1)C(=O)C(C)C" . "BIHPJIJLDNUDGH-UHFFFAOYSA-N" . "InChI=1S/C26H26F3N5O2/c1-15(2)25(36)34-9-7-17(8-10-34)19-14-33(3)23-21(19)22(26(27,28)29)20(13-31-23)32-24(35)18-6-4-5-16(11-18)12-30/h4-6,11,13-15,17H,7-10H2,1-3H3,(H,32,35)" . "C=CC(=O)N1CC2CC1CN2c1ccc(c(n1)Oc1ccc(cc1)Oc1ccccc1)C(=O)N" . "C=CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(c(n1)Oc1ccc(cc1)Oc1ccccc1)C(=O)N" . "FVEYIFISRORTDD-ROUUACIJSA-N" . "InChI=1S/C26H24N4O4/c1-2-24(31)30-16-17-14-18(30)15-29(17)23-13-12-22(25(27)32)26(28-23)34-21-10-8-20(9-11-21)33-19-6-4-3-5-7-19/h2-13,17-18H,1,14-16H2,(H2,27,32)/t17-,18-/m0/s1" . "COc1cc(ccc1O)c1[nH]c(=O)nc(c1)c1ccc(cc1)Cl" . "COc1cc(ccc1O)c1[nH]c(=O)nc(c1)c1ccc(cc1)Cl" . "BYYRNPIGDRRGLJ-UHFFFAOYSA-N" . "InChI=1S/C17H13ClN2O3/c1-23-16-8-11(4-7-15(16)21)14-9-13(19-17(22)20-14)10-2-5-12(18)6-3-10/h2-9,21H,1H3,(H,19,20,22)" . "ON=Cc1nc(CCCCNc2c3CCCCc3[nH+]c3c2cc(Cl)cc3)ccc1O" . "O/N=C/c1nc(CCCCNc2c3CCCCc3[nH+]c3c2cc(Cl)cc3)ccc1O" . "AEGVBHAVNJPGMI-WGARJPEWSA-O" . "InChI=1S/C23H25ClN4O2/c24-15-8-10-20-18(13-15)23(17-6-1-2-7-19(17)28-20)25-12-4-3-5-16-9-11-22(29)21(27-16)14-26-30/h8-11,13-14,29-30H,1-7,12H2,(H,25,28)/p+1/b26-14-" . "CCCC1N(C2CCCC2)c2nc(ncc2N(C1=O)C)Nc1ccc(cc1OC)C(=O)NC1CCN(CC1)C" . "CCCC1N(C2CCCC2)c2nc(ncc2N(C1=O)C)Nc1ccc(cc1OC)C(=O)NC1CCN(CC1)C" . "ZUJOXCIHOKDDRE-UHFFFAOYSA-N" . "InChI=1S/C29H41N7O3/c1-5-8-23-28(38)35(3)24-18-30-29(33-26(24)36(23)21-9-6-7-10-21)32-22-12-11-19(17-25(22)39-4)27(37)31-20-13-15-34(2)16-14-20/h11-12,17-18,20-21,23H,5-10,13-16H2,1-4H3,(H,31,37)(H,30,32,33)" . "COc1ccc(cc1OC)C=Cc1ccccc1N1C(=O)c2c(C1=O)cccc2" . "COc1ccc(cc1OC)/C=C/c1ccccc1N1C(=O)c2c(C1=O)cccc2" . "MKFOSSOUEAENMG-ACCUITESSA-N" . "InChI=1S/C24H19NO4/c1-28-21-14-12-16(15-22(21)29-2)11-13-17-7-3-6-10-20(17)25-23(26)18-8-4-5-9-19(18)24(25)27/h3-15H,1-2H3/b13-11+" . "CN1CCC(CC1)NC(=O)c1ccc(c(c1)OC1CCCC1)Nc1ncc2c(n1)N(C1CCCC1)C(C(=O)N2C)C" . "CN1CCC(CC1)NC(=O)c1ccc(c(c1)OC1CCCC1)Nc1ncc2c(n1)N(C1CCCC1)C(C(=O)N2C)C" . "HTPNGOWITIWAHM-UHFFFAOYSA-N" . "InChI=1S/C31H43N7O3/c1-20-30(40)37(3)26-19-32-31(35-28(26)38(20)23-8-4-5-9-23)34-25-13-12-21(18-27(25)41-24-10-6-7-11-24)29(39)33-22-14-16-36(2)17-15-22/h12-13,18-20,22-24H,4-11,14-17H2,1-3H3,(H,33,39)(H,32,34,35)" . "COc1ccc(cc1)S(=O)(=O)N(c1ncc(c2c1cccc2)N(S(=O)(=O)c1ccc(cc1)OC)CC(=O)O)CC(=O)O" . "COc1ccc(cc1)S(=O)(=O)N(c1ncc(c2c1cccc2)N(S(=O)(=O)c1ccc(cc1)OC)CC(=O)O)CC(=O)O" . "SDNGUWKKARNBMG-UHFFFAOYSA-N" . "InChI=1S/C27H25N3O10S2/c1-39-18-7-11-20(12-8-18)41(35,36)29(16-25(31)32)24-15-28-27(23-6-4-3-5-22(23)24)30(17-26(33)34)42(37,38)21-13-9-19(40-2)10-14-21/h3-15H,16-17H2,1-2H3,(H,31,32)(H,33,34)" . "Brc1ccc(cc1)c1c(OCCOc2ncc(cn2)Br)ncnc1NS(=O)(=O)N" . "Brc1ccc(cc1)c1c(OCCOc2ncc(cn2)Br)ncnc1NS(=O)(=O)N" . "DKULOVKANLVDEA-UHFFFAOYSA-N" . "InChI=1S/C16H14Br2N6O4S/c17-11-3-1-10(2-4-11)13-14(24-29(19,25)26)22-9-23-15(13)27-5-6-28-16-20-7-12(18)8-21-16/h1-4,7-9H,5-6H2,(H2,19,25,26)(H,22,23,24)" . "N#Cc1c(=O)[nH]c2c(c1O)c(cs2)c1ccc(cc1)c1ccccc1O" . "N#Cc1c(=O)[nH]c2c(c1O)c(cs2)c1ccc(cc1)c1ccccc1O" . "CTESJDQKVOEUOY-UHFFFAOYSA-N" . "InChI=1S/C20H12N2O3S/c21-9-14-18(24)17-15(10-26-20(17)22-19(14)25)12-7-5-11(6-8-12)13-3-1-2-4-16(13)23/h1-8,10,23H,(H2,22,24,25)" . "CCCC(C(=O)OCC1(CO)OC(=O)C(=Cc2cn(c3c2cccc3)C)C1)CCC" . "CCCC(C(=O)OCC1(CO)OC(=O)/C(=C/c2cn(c3c2cccc3)C)/C1)CCC" . "SIWILCBNYOGJQH-LDADJPATSA-N" . "InChI=1S/C24H31NO5/c1-4-8-17(9-5-2)22(27)29-16-24(15-26)13-18(23(28)30-24)12-19-14-25(3)21-11-7-6-10-20(19)21/h6-7,10-12,14,17,26H,4-5,8-9,13,15-16H2,1-3H3/b18-12+" . "O=S(=O)(NC1CN(C1)c1ccc2c(c1)C(Cc1ccccc1)C(CO2)N1CCC1)CC1CC1" . "O=S(=O)(NC1CN(C1)c1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H](CO2)N1CCC1)CC1CC1" . "GOGNWHCPOVLYOW-NOZRDPDXSA-N" . "InChI=1S/C26H33N3O3S/c30-33(31,18-20-7-8-20)27-21-15-29(16-21)22-9-10-26-24(14-22)23(13-19-5-2-1-3-6-19)25(17-32-26)28-11-4-12-28/h1-3,5-6,9-10,14,20-21,23,25,27H,4,7-8,11-13,15-18H2/t23-,25+/m1/s1" . "Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2c(c1)C(Cc1ccccc1)C(CC2)N1CCC1" . "Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H](CC2)N1CCC1" . "BIPXSEJLJGIGOE-RPBOFIJWSA-N" . "InChI=1S/C26H32N4O3S/c1-29-18-26(27-19-29)34(31,32)28-12-15-33-22-10-8-21-9-11-25(30-13-5-14-30)24(23(21)17-22)16-20-6-3-2-4-7-20/h2-4,6-8,10,17-19,24-25,28H,5,9,11-16H2,1H3/t24-,25+/m1/s1" . "N#Cc1ccc(nc1)NC1CCC(CC1)N(c1ccc(cc1)c1ccc(=O)n(c1)C)C(=O)NCc1ccccc1" . "N#Cc1ccc(nc1)N[C@@H]1CC[C@H](CC1)N(c1ccc(cc1)c1ccc(=O)n(c1)C)C(=O)NCc1ccccc1" . "HDJBGURZVALLMD-KWQFAZJVSA-N" . "InChI=1S/C32H32N6O2/c1-37-22-26(10-18-31(37)39)25-8-13-28(14-9-25)38(32(40)35-20-23-5-3-2-4-6-23)29-15-11-27(12-16-29)36-30-17-7-24(19-33)21-34-30/h2-10,13-14,17-18,21-22,27,29H,11-12,15-16,20H2,1H3,(H,34,36)(H,35,40)/t27-,29-" . "NC1CCCc2c1c(O)no2" . "NC1CCCc2c1c(O)no2" . "OAJLTKZYCPGQMS-UHFFFAOYSA-N" . "InChI=1S/C7H10N2O2/c8-4-2-1-3-5-6(4)7(10)9-11-5/h4H,1-3,8H2,(H,9,10)" . "O=C(N1CCN(CC1)Cc1ccc(cc1N1CCCC1)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F" . "O=C(N1CCN(CC1)Cc1ccc(cc1N1CCCC1)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F" . "SQZJGTOZFRNWCX-UHFFFAOYSA-N" . "InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2" . "COc1cccc(c1n1c(nnc1c1cncc(c1)C)NS(=O)(=O)C(C(c1ncc(cn1)C)C)C)OC" . "COc1cccc(c1n1c(nnc1c1cncc(c1)C)NS(=O)(=O)[C@H]([C@@H](c1ncc(cn1)C)C)C)OC" . "DOMQFIFVDIAOOT-ROUUACIJSA-N" . "InChI=1S/C25H29N7O4S/c1-15-10-19(14-26-11-15)24-29-30-25(32(24)22-20(35-5)8-7-9-21(22)36-6)31-37(33,34)18(4)17(3)23-27-12-16(2)13-28-23/h7-14,17-18H,1-6H3,(H,30,31)/t17-,18-/m0/s1" . "NCCCCC(C(=O)N1CCCC1C(=O)O)NC(=O)C(NC(=O)C(NC(=O)C)CO)CC(=O)O" . "NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CO)CC(=O)O" . "HJDRXEQUFWLOGJ-AJNGGQMLSA-N" . "InChI=1S/C20H33N5O9/c1-11(27)22-14(10-26)18(31)24-13(9-16(28)29)17(30)23-12(5-2-3-7-21)19(32)25-8-4-6-15(25)20(33)34/h12-15,26H,2-10,21H2,1H3,(H,22,27)(H,23,30)(H,24,31)(H,28,29)(H,33,34)/t12-,13-,14-,15-/m0/s1" . "O=c1[nH]c(=O)c(c([nH]1)C1CCC(CC1)c1ccccc1)Cc1cccc(c1)C(F)(F)F" . "O=c1[nH]c(=O)c(c([nH]1)[C@@H]1CC[C@H](CC1)c1ccccc1)Cc1cccc(c1)C(F)(F)F" . "GVVUZBSCYAVFTI-IYARVYRRSA-N" . "InChI=1S/C24H23F3N2O2/c25-24(26,27)19-8-4-5-15(13-19)14-20-21(28-23(31)29-22(20)30)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-8,13,17-18H,9-12,14H2,(H2,28,29,30,31)/t17-,18-" . "OCC(C(C)(C)C)NC(=O)c1nn(c2c1CC1C2C1)c1ncc[n+](c1)[O-]" . "OC[C@H](C(C)(C)C)NC(=O)c1nn(c2c1C[C@H]1[C@@H]2C1)c1ncc[n+](c1)[O-]" . "ACSQLTBPYZSGBA-GMXVVIOVSA-N" . "InChI=1S/C18H23N5O3/c1-18(2,3)13(9-24)20-17(25)15-12-7-10-6-11(10)16(12)23(21-15)14-8-22(26)5-4-19-14/h4-5,8,10-11,13,24H,6-7,9H2,1-3H3,(H,20,25)/t10-,11-,13+/m0/s1" . "S=C1SC(=Cc2ccc(cc2)C(=O)O)C(=O)N1Cc1cccc(c1)C(F)(F)F" . "S=C1S/C(=C/c2ccc(cc2)C(=O)O)/C(=O)N1Cc1cccc(c1)C(F)(F)F" . "DJTINRHPPGAPLD-DHDCSXOGSA-N" . "InChI=1S/C19H12F3NO3S2/c20-19(21,22)14-3-1-2-12(8-14)10-23-16(24)15(28-18(23)27)9-11-4-6-13(7-5-11)17(25)26/h1-9H,10H2,(H,25,26)/b15-9-" . "ONC(=O)CCCCC=C(C(=O)NCCCN(C)C)COc1cccc2c1cccc2" . "ONC(=O)CCCC/C=C(/C(=O)NCCCN(C)C)/COc1cccc2c1cccc2" . "AUGCSOFQTDKPSO-RGVLZGJSSA-N" . "InChI=1S/C24H33N3O4/c1-27(2)17-9-16-25-24(29)20(11-4-3-5-15-23(28)26-30)18-31-22-14-8-12-19-10-6-7-13-21(19)22/h6-8,10-14,30H,3-5,9,15-18H2,1-2H3,(H,25,29)(H,26,28)/b20-11+" . "Fc1ccc(c(c1)COc1cccc2c1c(no2)Nc1cccnc1)Cl" . "Fc1ccc(c(c1)COc1cccc2c1c(no2)Nc1cccnc1)Cl" . "VZWFUUUUCXTDJT-UHFFFAOYSA-N" . "InChI=1S/C19H13ClFN3O2/c20-15-7-6-13(21)9-12(15)11-25-16-4-1-5-17-18(16)19(24-26-17)23-14-3-2-8-22-10-14/h1-10H,11H2,(H,23,24)" . "COc1ccc(cc1c1cc(=O)[nH]c(=S)n1CC(=O)N)Cl" . "COc1ccc(cc1c1cc(=O)[nH]c(=S)n1CC(=O)N)Cl" . "ICYNYWFGIDGBRD-UHFFFAOYSA-N" . "InChI=1S/C13H12ClN3O3S/c1-20-10-3-2-7(14)4-8(10)9-5-12(19)16-13(21)17(9)6-11(15)18/h2-5H,6H2,1H3,(H2,15,18)(H,16,19,21)" . "CC(OCCn1c(=S)[nH]c(=O)c2c1cc[nH]2)C" . "CC(OCCn1c(=S)[nH]c(=O)c2c1cc[nH]2)C" . "FVJCUZCRPIMVLB-UHFFFAOYSA-N" . "InChI=1S/C11H15N3O2S/c1-7(2)16-6-5-14-8-3-4-12-9(8)10(15)13-11(14)17/h3-4,7,12H,5-6H2,1-2H3,(H,13,15,17)" . "O=C(Nc1ccc(cc1)Br)NCc1ccc(nc1)N" . "O=C(Nc1ccc(cc1)Br)NCc1ccc(nc1)N" . "NNDXEGUWCFIHTD-UHFFFAOYSA-N" . "InChI=1S/C13H13BrN4O/c14-10-2-4-11(5-3-10)18-13(19)17-8-9-1-6-12(15)16-7-9/h1-7H,8H2,(H2,15,16)(H2,17,18,19)" . "O=CCCSc1n(C)cc[n+]1C" . "O=CCCSc1n(C)cc[n+]1C" . "NAQRMIYTJDQSRI-UHFFFAOYSA-N" . "InChI=1S/C8H13N2OS/c1-9-4-5-10(2)8(9)12-7-3-6-11/h4-6H,3,7H2,1-2H3/q+1" . "O=C(C1CCCN1C(=O)OCc1cnc2c(c1)cccc2)NCC1ON=C(C1)Br" . "O=C([C@@H]1CCCN1C(=O)OCc1cnc2c(c1)cccc2)NC[C@H]1ON=C(C1)Br" . "FDWIPZHANLQVMF-RDJZCZTQSA-N" . "InChI=1S/C20H21BrN4O4/c21-18-9-15(29-24-18)11-23-19(26)17-6-3-7-25(17)20(27)28-12-13-8-14-4-1-2-5-16(14)22-10-13/h1-2,4-5,8,10,15,17H,3,6-7,9,11-12H2,(H,23,26)/t15-,17-/m0/s1" . "OCc1c[nH]c2c1cccc2" . "OCc1c[nH]c2c1cccc2" . "IVYPNXXAYMYVSP-UHFFFAOYSA-N" . "InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2" . "c1ccc2c(c1)c1cc3=Nc4c(c3cc1=N2)cccc4" . "c1ccc2c(c1)c1cc3=Nc4c(c3cc1=N2)cccc4" . "HLVSZSQYBQCBQG-UHFFFAOYSA-N" . "InChI=1S/C18H10N2/c1-3-7-15-11(5-1)13-9-18-14(10-17(13)19-15)12-6-2-4-8-16(12)20-18/h1-10H" . "FC(Oc1cc(F)cc(c1)c1ccc2c(c1)N(CC(O2)CC(C(=O)O)(C)C)S(=O)(=O)c1cccc(c1)C(F)(F)F)F" . "FC(Oc1cc(F)cc(c1)c1ccc2c(c1)N(C[C@@H](O2)CC(C(=O)O)(C)C)S(=O)(=O)c1cccc(c1)C(F)(F)F)F" . "GULSIMHVQYBADX-FQEVSTJZSA-N" . "InChI=1S/C27H23F6NO6S/c1-26(2,24(35)36)13-20-14-34(41(37,38)21-5-3-4-17(11-21)27(31,32)33)22-10-15(6-7-23(22)39-20)16-8-18(28)12-19(9-16)40-25(29)30/h3-12,20,25H,13-14H2,1-2H3,(H,35,36)/t20-/m0/s1" . "C=CC(=O)Nc1cccc(c1)Oc1nc(Nc2ccc(c(c2)F)N2CCN(CC2)C)nc2c1cc[nH]2" . "C=CC(=O)Nc1cccc(c1)Oc1nc(Nc2ccc(c(c2)F)N2CCN(CC2)C)nc2c1cc[nH]2" . "UOFYSRZSLXWIQB-UHFFFAOYSA-N" . "InChI=1S/C26H26FN7O2/c1-3-23(35)29-17-5-4-6-19(15-17)36-25-20-9-10-28-24(20)31-26(32-25)30-18-7-8-22(21(27)16-18)34-13-11-33(2)12-14-34/h3-10,15-16H,1,11-14H2,2H3,(H,29,35)(H2,28,30,31,32)" . "CCC(=O)N(C1(CCN(CC1)CCc1ccccc1)C(=O)OC)c1ccccc1" . "CCC(=O)N(C1(CCN(CC1)CCc1ccccc1)C(=O)OC)c1ccccc1" . "YDSDEBIZUNNPOB-UHFFFAOYSA-N" . "InChI=1S/C24H30N2O3/c1-3-22(27)26(21-12-8-5-9-13-21)24(23(28)29-2)15-18-25(19-16-24)17-14-20-10-6-4-7-11-20/h4-13H,3,14-19H2,1-2H3" . "O=C(Nc1cc(Cl)ccc1C(=O)O)COc1cccc2c1cccc2" . "O=C(Nc1cc(Cl)ccc1C(=O)O)COc1cccc2c1cccc2" . "OKFVCWAYHJMQFA-UHFFFAOYSA-N" . "InChI=1S/C19H14ClNO4/c20-13-8-9-15(19(23)24)16(10-13)21-18(22)11-25-17-7-3-5-12-4-1-2-6-14(12)17/h1-10H,11H2,(H,21,22)(H,23,24)" . "O=C(Nc1cc(Cl)ccc1C(=O)O)COc1ccccc1Cl" . "O=C(Nc1cc(Cl)ccc1C(=O)O)COc1ccccc1Cl" . "CVQCJPCMPGKEDH-UHFFFAOYSA-N" . "InChI=1S/C15H11Cl2NO4/c16-9-5-6-10(15(20)21)12(7-9)18-14(19)8-22-13-4-2-1-3-11(13)17/h1-7H,8H2,(H,18,19)(H,20,21)" . "NC(=O)C(=Cn1cnc(n1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cncnc1" . "NC(=O)/C(=C/n1cnc(n1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)/c1cncnc1" . "JFBAVWVBLRIWHM-AWNIVKPZSA-N" . "InChI=1S/C17H10F6N6O/c18-16(19,20)11-1-9(2-12(3-11)17(21,22)23)15-27-8-29(28-15)6-13(14(24)30)10-4-25-7-26-5-10/h1-8H,(H2,24,30)/b13-6+" . "O=C(C=Cn1cnc(n1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)NNc1cnccn1" . "O=C(/C=C/n1cnc(n1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)NNc1cnccn1" . "DEVSOMFAQLZNKR-RJRFIUFISA-N" . "InChI=1S/C17H11F6N7O/c18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)15-26-9-30(29-15)4-1-14(31)28-27-13-8-24-2-3-25-13/h1-9H,(H,25,27)(H,28,31)/b4-1-" . "O=C(Nc1ccc(c(c1F)F)F)CN(C(=O)c1ccc2c(c1)OCCO2)C" . "O=C(Nc1ccc(c(c1F)F)F)CN(C(=O)c1ccc2c(c1)OCCO2)C" . "XITZPIXICJOKTF-UHFFFAOYSA-N" . "InChI=1S/C18H15F3N2O4/c1-23(9-15(24)22-12-4-3-11(19)16(20)17(12)21)18(25)10-2-5-13-14(8-10)27-7-6-26-13/h2-5,8H,6-7,9H2,1H3,(H,22,24)" . "COC1(CCC(CC1)c1nc(C)cc(n1)Nc1n[nH]c(c1)C)C(=O)NC(c1ccc(nc1)n1ncc(c1)F)C" . "CO[C@@]1(CC[C@@H](CC1)c1nc(C)cc(n1)Nc1n[nH]c(c1)C)C(=O)N[C@H](c1ccc(nc1)n1ncc(c1)F)C" . "GBLBJPZSROAGMF-RWYJCYHVSA-N" . "InChI=1S/C27H32FN9O2/c1-16-11-22(33-23-12-17(2)35-36-23)34-25(31-16)19-7-9-27(39-4,10-8-19)26(38)32-18(3)20-5-6-24(29-13-20)37-15-21(28)14-30-37/h5-6,11-15,18-19H,7-10H2,1-4H3,(H,32,38)(H2,31,33,34,35,36)/t18-,19-,27+/m0/s1" . "CCCCCCOC(c1cccc(c1OC)c1csc(n1)NC(=O)c1cc(Cl)c(c(c1)Cl)C=C(C(=O)O)C)C" . "CCCCCCO[C@H](c1cccc(c1OC)c1csc(n1)NC(=O)c1cc(Cl)c(c(c1)Cl)/C=C(/C(=O)O)/C)C" . "NOZIJMHMKORZBA-KJCUYJGMSA-N" . "InChI=1S/C29H32Cl2N2O5S/c1-5-6-7-8-12-38-18(3)20-10-9-11-21(26(20)37-4)25-16-39-29(32-25)33-27(34)19-14-23(30)22(24(31)15-19)13-17(2)28(35)36/h9-11,13-16,18H,5-8,12H2,1-4H3,(H,35,36)(H,32,33,34)/b17-13+/t18-/m0/s1" . "COCc1ccc(cc1)c1ccc(cc1)N(C(=O)C1CC1c1ccccn1)CC(C(OC)C)N" . "COCc1ccc(cc1)c1ccc(cc1)N(C(=O)[C@@H]1C[C@H]1c1ccccn1)C[C@H]([C@H](OC)C)N" . "XCHHIKJEGXHKLQ-UJTWYAIMSA-N" . "InChI=1S/C28H33N3O3/c1-19(34-3)26(29)17-31(28(32)25-16-24(25)27-6-4-5-15-30-27)23-13-11-22(12-14-23)21-9-7-20(8-10-21)18-33-2/h4-15,19,24-26H,16-18,29H2,1-3H3/t19-,24-,25-,26-/m1/s1" . "CCCCCNC1=C(CCCCC)C(=O)C(=O)C(=C1O)C1C=C(C)CCC1C(=C)C" . "CCCCCNC1=C(CCCCC)C(=O)C(=O)C(=C1O)[C@@H]1C=C(C)CC[C@H]1C(=C)C" . "CIEWIZBPWBLHSB-PZJWPPBQSA-N" . "InChI=1S/C26H39NO3/c1-6-8-10-12-20-23(27-15-11-9-7-2)25(29)22(26(30)24(20)28)21-16-18(5)13-14-19(21)17(3)4/h16,19,21,27,29H,3,6-15H2,1-2,4-5H3/t19-,21+/m0/s1" . "N#CCCC#Cc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCS(=O)(=O)CC1" . "N#CCCC#Cc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCS(=O)(=O)CC1" . "XBHQLFVDGLPBCK-UHFFFAOYSA-N" . "InChI=1S/C26H23Cl2N5O3S/c1-18-24(26(34)31-32-13-15-37(35,36)16-14-32)30-33(23-11-10-21(27)17-22(23)28)25(18)20-8-6-19(7-9-20)5-3-2-4-12-29/h6-11,17H,2,4,13-16H2,1H3,(H,31,34)" . "O=C(N1CCN(CC1)C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)ON1C(=O)CCC1=O" . "O=C(N1CCN(CC1)C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)ON1C(=O)CCC1=O" . "BEADRWVIFHOSGN-UHFFFAOYSA-N" . "InChI=1S/C22H21Cl2N3O4/c23-17-5-1-15(2-6-17)21(16-3-7-18(24)8-4-16)25-11-13-26(14-12-25)22(30)31-27-19(28)9-10-20(27)29/h1-8,21H,9-14H2" . "Clc1ccc(cc1)N1C(=NC(=NC1(C)C)N)N" . "Clc1ccc(cc1)N1C(=NC(=NC1(C)C)N)N" . "QMNFFXRFOJIOKZ-UHFFFAOYSA-N" . "InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)" . "Clc1ccc2c(c1)nccc2N1CCN(CC1)CCCN1CCN(CC1)c1ccnc2c1ccc(c2)Cl" . "Clc1ccc2c(c1)nccc2N1CCN(CC1)CCCN1CCN(CC1)c1ccnc2c1ccc(c2)Cl" . "UCRHFBCYFMIWHC-UHFFFAOYSA-N" . "InChI=1S/C29H32Cl2N6/c30-22-2-4-24-26(20-22)32-8-6-28(24)36-16-12-34(13-17-36)10-1-11-35-14-18-37(19-15-35)29-7-9-33-27-21-23(31)3-5-25(27)29/h2-9,20-21H,1,10-19H2" . "CC1CN(CCN1C)c1cnc(nc1Nc1cc(n(n1)C)C)Nc1nc(C)c(c(c1)C1CC1)F" . "C[C@@H]1CN(CCN1C)c1cnc(nc1Nc1cc(n(n1)C)C)Nc1nc(C)c(c(c1)C1CC1)F" . "HKPQFVAUXAZCDY-OAHLLOKOSA-N" . "InChI=1S/C24H32FN9/c1-14-10-21(31-33(14)5)28-23-19(34-9-8-32(4)15(2)13-34)12-26-24(30-23)29-20-11-18(17-6-7-17)22(25)16(3)27-20/h10-12,15,17H,6-9,13H2,1-5H3,(H2,26,27,28,29,30,31)/t15-/m1/s1" . "Clc1cc(nc(n1)N)N(C1CC1)Cc1cccs1" . "Clc1cc(nc(n1)N)N(C1CC1)Cc1cccs1" . "PDWZXKSZLRVSEH-UHFFFAOYSA-N" . "InChI=1S/C12H13ClN4S/c13-10-6-11(16-12(14)15-10)17(8-3-4-8)7-9-2-1-5-18-9/h1-2,5-6,8H,3-4,7H2,(H2,14,15,16)" . "N#Cc1ccc(cc1)CN1CCN(CC1)C(=O)[C@@H](N(C(=O)/C=C/c1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)N1CCN(CC1)C(=O)C)Cc1ccccc1" . "N#Cc1ccc(cc1)CN1CCN(CC1)C(=O)[C@@H](N(C(=O)/C=C/c1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)N1CCN(CC1)C(=O)C)Cc1ccccc1" . "BQZUYCCCNXOADJ-TVNMEPFQSA-N" . "InChI=1S/C47H54N6O3/c1-36(54)50-28-30-51(31-29-50)43-21-16-41(17-22-43)35-53(45(55)23-18-37-14-19-42(20-15-37)47(2,3)4)44(32-38-8-6-5-7-9-38)46(56)52-26-24-49(25-27-52)34-40-12-10-39(33-48)11-13-40/h5-23,44H,24-32,34-35H2,1-4H3/b23-18+/t44-/m0/s1" . "COc1cc2[nH]c(C)c(c(=O)c2cc1Cl)c1ccc(cc1)Oc1ccc(cc1)OC(F)(F)F" . "COc1cc2[nH]c(C)c(c(=O)c2cc1Cl)c1ccc(cc1)Oc1ccc(cc1)OC(F)(F)F" . "WZDNKHCQIZRDKW-UHFFFAOYSA-N" . "InChI=1S/C24H17ClF3NO4/c1-13-22(23(30)18-11-19(25)21(31-2)12-20(18)29-13)14-3-5-15(6-4-14)32-16-7-9-17(10-8-16)33-24(26,27)28/h3-12H,1-2H3,(H,29,30)" . "Cc1cc(Nc2ccc(nc2)C(F)(F)F)n2c(n1)nc(n2)C(F)(F)C" . "Cc1cc(Nc2ccc(nc2)C(F)(F)F)n2c(n1)nc(n2)C(F)(F)C" . "HDLFZCDEGAWEFX-UHFFFAOYSA-N" . "InChI=1S/C14H11F5N6/c1-7-5-10(22-8-3-4-9(20-6-8)14(17,18)19)25-12(21-7)23-11(24-25)13(2,15)16/h3-6,22H,1-2H3" . "CCCCN(CCC(c1cc2c(Cl)cc(cc2c2c1ccc(c2)C(F)(F)F)Cl)O)CCCC" . "CCCCN(CCC(c1cc2c(Cl)cc(cc2c2c1ccc(c2)C(F)(F)F)Cl)O)CCCC" . "FOHHNHSLJDZUGQ-UHFFFAOYSA-N" . "InChI=1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3" . "CCN(Cc1cc(ccc1O)Nc1ccnc2c1ccc(c2)Cl)CC" . "CCN(Cc1cc(ccc1O)Nc1ccnc2c1ccc(c2)Cl)CC" . "OVCDSSHSILBFBN-UHFFFAOYSA-N" . "InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)" . "NS(=O)(=O)c1cncc(c1)c1ccc2c(n1)c(ccn2)c1c[nH]nc1" . "NS(=O)(=O)c1cncc(c1)c1ccc2c(n1)c(ccn2)c1c[nH]nc1" . "GTWOKQIGBJADIZ-UHFFFAOYSA-N" . "InChI=1S/C16H12N6O2S/c17-25(23,24)12-5-10(6-18-9-12)14-1-2-15-16(22-14)13(3-4-19-15)11-7-20-21-8-11/h1-9H,(H,20,21)(H2,17,23,24)" . "FC(c1nccc(c1)c1ccnc2c1nc(cc2)c1cccc(c1)S(=O)(=O)N)(F)F" . "FC(c1nccc(c1)c1ccnc2c1nc(cc2)c1cccc(c1)S(=O)(=O)N)(F)F" . "UNHBOZVTSNPRRO-UHFFFAOYSA-N" . "InChI=1S/C20H13F3N4O2S/c21-20(22,23)18-11-12(6-8-26-18)15-7-9-25-17-5-4-16(27-19(15)17)13-2-1-3-14(10-13)30(24,28)29/h1-11H,(H2,24,28,29)" . "CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)CCC(=O)OCCONC(=O)c1cc2n(C)cnc2c(c1Nc1ccc(cc1Cl)Br)F)C)C" . "CC(CCC[C@@H]([C@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@H]2CC=C2[C@]1(C)CCC(C2)OC(=O)CCC(=O)OCCONC(=O)c1cc2n(C)cnc2c(c1Nc1ccc(cc1Cl)Br)F)C)C" . "QUBHCPBWMPEXQW-NPAZBBTKSA-N" . "InChI=1S/C48H63BrClFN4O6/c1-28(2)8-7-9-29(3)35-13-14-36-33-12-10-30-24-32(18-20-47(30,4)37(33)19-21-48(35,36)5)61-42(57)17-16-41(56)59-22-23-60-54-46(58)34-26-40-45(52-27-55(40)6)43(51)44(34)53-39-15-11-31(49)25-38(39)50/h10-11,15,25-29,32-33,35-37,53H,7-9,12-14,16-24H2,1-6H3,(H,54,58)/t29-,32?,33-,35+,36+,37+,47-,48+/m0/s1" . "CCCCCCC(c1cc(O)c(c(c1)O)C1C=C(C)CCC1C(=C)C)(C)C" . "CCCCCCC(c1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C)(C)C" . "MPJURNPNPDQYSY-LEWJYISDSA-N" . "InChI=1S/C25H38O2/c1-7-8-9-10-13-25(5,6)19-15-22(26)24(23(27)16-19)21-14-18(4)11-12-20(21)17(2)3/h14-16,20-21,26-27H,2,7-13H2,1,3-6H3/t20-,21+/m0/s1" . "OC(=O)CCC1NC(=O)C(CSSCC2NC(=O)C(C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC(C)C)CSSCC(NC(=O)CNC(=O)C(NC2=O)C(O)C)C(=O)NC(C(=O)O)CC(C)C)C(C)C)CC(=O)N)C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)N)N)CC(=O)O)CCC(=O)O" . "OC(=O)CC[C@@H]1NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(C)C)CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)[C@H](O)C)C(=O)N[C@@H](C(=O)O)CC(C)C)C(C)C)CC(=O)N)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(=O)N)N)CC(=O)O)CCC(=O)O" . "NSPHQWLKCGGCQR-HLHYUOOASA-N" . "InChI=1S/C65H104N18O26S4/c1-25(2)15-34-55(98)80-41-24-113-110-21-38(58(101)77-37(65(108)109)16-26(3)4)71-44(87)20-69-62(105)50(30(10)84)83-61(104)40(78-51(94)29(9)70-63(106)48(27(5)6)81-57(100)35(18-43(68)86)76-64(107)49(28(7)8)82-60(41)103)23-112-111-22-39(59(102)73-32(53(96)75-34)11-13-45(88)89)79-54(97)33(12-14-46(90)91)72-56(99)36(19-47(92)93)74-52(95)31(66)17-42(67)85/h25-41,48-50,84H,11-24,66H2,1-10H3,(H2,67,85)(H2,68,86)(H,69,105)(H,70,106)(H,71,87)(H,72,99)(H,73,102)(H,74,95)(H,75,96)(H,76,107)(H,77,101)(H,78,94)(H,79,97)(H,80,98)(H,81,100)(H,82,103)(H,83,104)(H,88,89)(H,90,91)(H,92,93)(H,108,109)/t29-,30+,31+,32-,33-,34-,35-,36-,37+,38-,39-,40-,41-,48-,49-,50-/m0/s1" . "COC(=O)Nc1c(N)nc(nc1N)c1nn(c2c1cc(F)cn2)Cc1ccccc1F" . "COC(=O)Nc1c(N)nc(nc1N)c1nn(c2c1cc(F)cn2)Cc1ccccc1F" . "QZFHIXARHDBPBY-UHFFFAOYSA-N" . "InChI=1S/C19H16F2N8O2/c1-31-19(30)25-14-15(22)26-17(27-16(14)23)13-11-6-10(20)7-24-18(11)29(28-13)8-9-4-2-3-5-12(9)21/h2-7H,8H2,1H3,(H,25,30)(H4,22,23,26,27)" . "Clc1cc(ccc1N1C(=O)c2c(C1=O)c(Cl)ccc2)NC(=O)c1ncccc1Cl" . "Clc1cc(ccc1N1C(=O)c2c(C1=O)c(Cl)ccc2)NC(=O)c1ncccc1Cl" . "HJQXPBKPTGWZCF-UHFFFAOYSA-N" . "InChI=1S/C20H10Cl3N3O3/c21-12-4-1-3-11-16(12)20(29)26(19(11)28)15-7-6-10(9-14(15)23)25-18(27)17-13(22)5-2-8-24-17/h1-9H,(H,25,27)" . "COc1ccc2c(c1)[nH]c1c2CC2N(C1C=C(C)C)C(=O)C1N(C2=O)CCC1" . "COc1ccc2c(c1)[nH]c1c2C[C@@H]2N([C@H]1C=C(C)C)C(=O)[C@H]1N(C2=O)CCC1" . "DBEYVIGIPJSTOR-FHWLQOOXSA-N" . "InChI=1S/C22H25N3O3/c1-12(2)9-18-20-15(14-7-6-13(28-3)10-16(14)23-20)11-19-21(26)24-8-4-5-17(24)22(27)25(18)19/h6-7,9-10,17-19,23H,4-5,8,11H2,1-3H3/t17-,18-,19-/m0/s1" . "COc1ccc2c(c1)[nH]c1c2CC2N(C1CC(C)C)C(=O)C(NC2=O)CCC(=O)OC(C)(C)C" . "COc1ccc2c(c1)[nH]c1c2C[C@@H]2N([C@H]1CC(C)C)C(=O)[C@@H](NC2=O)CCC(=O)OC(C)(C)C" . "NXNRAECHCJZNRF-JBACZVJFSA-N" . "InChI=1S/C26H35N3O5/c1-14(2)11-20-23-17(16-8-7-15(33-6)12-19(16)27-23)13-21-24(31)28-18(25(32)29(20)21)9-10-22(30)34-26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,31)/t18-,20-,21-/m0/s1" . "OCCc1ccc(cc1)NC(=O)c1ccccc1NC(=O)c1ccc(cc1)[N+](=O)[O-]" . "OCCc1ccc(cc1)NC(=O)c1ccccc1NC(=O)c1ccc(cc1)[N+](=O)[O-]" . "LTWQQWSXYYXVGA-UHFFFAOYSA-N" . "InChI=1S/C22H19N3O5/c26-14-13-15-5-9-17(10-6-15)23-22(28)19-3-1-2-4-20(19)24-21(27)16-7-11-18(12-8-16)25(29)30/h1-12,26H,13-14H2,(H,23,28)(H,24,27)" . "OCC(=O)C12CN(CC1CC1C2(C)CC(O)C2(C1CC(C1=CC(=O)C=CC21C)F)F)Cc1cccc(c1)Cl" . "OCC(=O)[C@@]12CN(C[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@]2([C@H]1C[C@@H](C1=CC(=O)C=C[C@]21C)F)F)Cc1cccc(c1)Cl" . "AOSZTAHDEDLTLQ-AZKQZHLXSA-N" . "InChI=1S/C30H34ClF2NO4/c1-27-7-6-20(36)10-23(27)24(32)11-22-21-9-18-14-34(13-17-4-3-5-19(31)8-17)16-29(18,26(38)15-35)28(21,2)12-25(37)30(22,27)33/h3-8,10,18,21-22,24-25,35,37H,9,11-16H2,1-2H3/t18-,21-,22-,24-,25-,27-,28-,29+,30-/m0/s1" . "O=C(Cc1ccc(cn1)c1ccc(cc1)N1CCOCC1)NCc1cccc(c1)F" . "O=C(Cc1ccc(cn1)c1ccc(cc1)N1CCOCC1)NCc1cccc(c1)F" . "CMKKPJNMYLOUCE-UHFFFAOYSA-N" . "InChI=1S/C24H24FN3O2/c25-21-3-1-2-18(14-21)16-27-24(29)15-22-7-4-20(17-26-22)19-5-8-23(9-6-19)28-10-12-30-13-11-28/h1-9,14,17H,10-13,15-16H2,(H,27,29)" . "O=S(=O)(C1CC1)Nc1nnc2n1cc(C1CC1)c(c2)OCC12CC3CC(C2)CC(C1)C3" . "O=S(=O)(C1CC1)Nc1nnc2n1cc(C1CC1)c(c2)OCC12CC3CC(C2)CC(C1)C3" . "FPERPEQIXLOVIK-UHFFFAOYSA-N" . "InChI=1S/C23H30N4O3S/c28-31(29,18-3-4-18)26-22-25-24-21-8-20(19(12-27(21)22)17-1-2-17)30-13-23-9-14-5-15(10-23)7-16(6-14)11-23/h8,12,14-18H,1-7,9-11,13H2,(H,25,26)" . "COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)Nc1ccccc1)C)C(=O)NS(=O)(=O)c1ccccc1" . "COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)Nc1ccccc1)C)C(=O)NS(=O)(=O)c1ccccc1" . "CJILPLPDEJBFHA-UHFFFAOYSA-N" . "InChI=1S/C31H28N4O5S/c1-35-20-23(27-19-25(15-16-28(27)35)33-31(37)32-24-9-5-3-6-10-24)17-21-13-14-22(18-29(21)40-2)30(36)34-41(38,39)26-11-7-4-8-12-26/h3-16,18-20H,17H2,1-2H3,(H,34,36)(H2,32,33,37)" . "N#Cc1ccc(cc1N1CCN(C(C1=O)(C)C)C(=O)C)c1cc(c2n1ncnc2N)C(F)(F)F" . "N#Cc1ccc(cc1N1CCN(C(C1=O)(C)C)C(=O)C)c1cc(c2n1ncnc2N)C(F)(F)F" . "ZDXIDBRGTYDHBQ-UHFFFAOYSA-N" . "InChI=1S/C22H20F3N7O2/c1-12(33)31-7-6-30(20(34)21(31,2)3)16-8-13(4-5-14(16)10-26)17-9-15(22(23,24)25)18-19(27)28-11-29-32(17)18/h4-5,8-9,11H,6-7H2,1-3H3,(H2,27,28,29)" . "N#CCC1CCN(CC1)c1nc(Nc2ccc(cc2)N2CCC(CC2)O)c2c(n1)cn[nH]c2=O" . "N#CCC1CCN(CC1)c1nc(Nc2ccc(cc2)N2CCC(CC2)O)c2c(n1)cn[nH]c2=O" . "NLFLXLJXEIUQDL-UHFFFAOYSA-N" . "InChI=1S/C24H28N8O2/c25-10-5-16-6-11-32(12-7-16)24-28-20-15-26-30-23(34)21(20)22(29-24)27-17-1-3-18(4-2-17)31-13-8-19(33)9-14-31/h1-4,15-16,19,33H,5-9,11-14H2,(H,30,34)(H,27,28,29)" . "OC(=O)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)N" . "OC(=O)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)N" . "ODSCFSVBFVSJFO-UHFFFAOYSA-N" . "InChI=1S/C23H15F3N4O3/c24-23(25,26)18-7-5-14(6-8-18)20-12-30(29-28-20)19-10-16(9-17(11-19)22(32)33)13-1-3-15(4-2-13)21(27)31/h1-12H,(H2,27,31)(H,32,33)" . "NCCCNC(=O)c1ccc(s1)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)C(=O)O" . "NCCCNC(=O)c1ccc(s1)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)C(=O)O" . "VYXSDIPOJBFWHQ-UHFFFAOYSA-N" . "InChI=1S/C24H20F3N5O3S/c25-24(26,27)17-4-2-14(3-5-17)19-13-32(31-30-19)18-11-15(10-16(12-18)23(34)35)20-6-7-21(36-20)22(33)29-9-1-8-28/h2-7,10-13H,1,8-9,28H2,(H,29,33)(H,34,35)" . "CC(=O)Nc1sc(c(n1)C)c1cc2CN(C(=O)c2c(c1)S(=O)(=O)C)C(C1CC1)C" . "CC(=O)Nc1sc(c(n1)C)c1cc2CN(C(=O)c2c(c1)S(=O)(=O)C)[C@H](C1CC1)C" . "PAQUFWFUOVDUIO-NSHDSACASA-N" . "InChI=1S/C20H23N3O4S2/c1-10-18(28-20(21-10)22-12(3)24)14-7-15-9-23(11(2)13-5-6-13)19(25)17(15)16(8-14)29(4,26)27/h7-8,11,13H,5-6,9H2,1-4H3,(H,21,22,24)/t11-/m0/s1" . "CCCCC1(CCCC)CN(c2ccccc2)c2c(S(=O)(=O)C1)cc(c(c2)SC)OCC(=O)NC(c1ccccc1)C(=O)NCC(=O)O" . "CCCCC1(CCCC)CN(c2ccccc2)c2c(S(=O)(=O)C1)cc(c(c2)SC)OCC(=O)N[C@H](c1ccccc1)C(=O)NCC(=O)O" . "XFLQIRAKKLNXRQ-UUWRZZSWSA-N" . "InChI=1S/C36H45N3O7S2/c1-4-6-18-36(19-7-5-2)24-39(27-16-12-9-13-17-27)28-20-30(47-3)29(21-31(28)48(44,45)25-36)46-23-32(40)38-34(26-14-10-8-11-15-26)35(43)37-22-33(41)42/h8-17,20-21,34H,4-7,18-19,22-25H2,1-3H3,(H,37,43)(H,38,40)(H,41,42)/t34-/m1/s1" . "CNC(=O)OC1CC(=C)C(C2(C1C(C)(C)CCC2)C)CCC(C=C)(O)C" . "CNC(=O)O[C@H]1CC(=C)[C@@H]([C@@]2([C@@H]1C(C)(C)CCC2)C)CC[C@@](C=C)(O)C" . "VDWLBNKHHJKPOQ-LDAQOBCYSA-N" . "InChI=1S/C22H37NO3/c1-8-21(5,25)13-10-16-15(2)14-17(26-19(24)23-7)18-20(3,4)11-9-12-22(16,18)6/h8,16-18,25H,1-2,9-14H2,3-7H3,(H,23,24)/t16-,17-,18-,21+,22+/m0/s1" . "O=C(c1n[nH]c2c1CC1C(C2)(C1(F)F)C)Nc1cnn(c1)C(C1CCCCS1(=O)=O)c1ccccc1" . "O=C(c1n[nH]c2c1C[C@H]1[C@@](C2)(C1(F)F)C)Nc1cnn(c1)[C@H]([C@@H]1CCCCS1(=O)=O)c1ccccc1" . "JNRFIKALOWSUBG-CGCKEFBRSA-N" . "InChI=1S/C25H27F2N5O3S/c1-24-12-18-17(11-20(24)25(24,26)27)21(31-30-18)23(33)29-16-13-28-32(14-16)22(15-7-3-2-4-8-15)19-9-5-6-10-36(19,34)35/h2-4,7-8,13-14,19-20,22H,5-6,9-12H2,1H3,(H,29,33)(H,30,31)/t19-,20-,22-,24+/m0/s1" . "COc1cc(C)c(cc1C(=O)N1CCN(CC1)C(=O)C)Sc1cnc(s1)NC(=O)c1ccc(cc1)CNC(C(C)(C)C)C" . "COc1cc(C)c(cc1C(=O)N1CCN(CC1)C(=O)C)Sc1cnc(s1)NC(=O)c1ccc(cc1)CNC(C(C)(C)C)C" . "ZHXNIYGJAOPMSO-UHFFFAOYSA-N" . "InChI=1S/C32H41N5O4S2/c1-20-16-26(41-7)25(30(40)37-14-12-36(13-15-37)22(3)38)17-27(20)42-28-19-34-31(43-28)35-29(39)24-10-8-23(9-11-24)18-33-21(2)32(4,5)6/h8-11,16-17,19,21,33H,12-15,18H2,1-7H3,(H,34,35,39)" . "N#CC(=CC(N1CCN(CC1)C1COC1)(C)C)C(=O)N1CCCC(C1)n1nc(c2c1ncnc2N)c1ccc(cc1F)Oc1ccccc1" . "N#C/C(=C/C(N1CCN(CC1)C1COC1)(C)C)/C(=O)N1CCC[C@H](C1)n1nc(c2c1ncnc2N)c1ccc(cc1F)Oc1ccccc1" . "LCFFREMLXLZNHE-GBOLQPHISA-N" . "InChI=1S/C36H40FN9O3/c1-36(2,45-15-13-43(14-16-45)26-21-48-22-26)18-24(19-38)35(47)44-12-6-7-25(20-44)46-34-31(33(39)40-23-41-34)32(42-46)29-11-10-28(17-30(29)37)49-27-8-4-3-5-9-27/h3-5,8-11,17-18,23,25-26H,6-7,12-16,20-22H2,1-2H3,(H2,39,40,41)/b24-18+/t25-/m1/s1" . "COc1c(cc(cc1F)F)Nc1cc(NC)c2n(n1)c(cn2)C(=O)NCCC(CO)(O)C" . "COc1c(cc(cc1F)F)Nc1cc(NC)c2n(n1)c(cn2)C(=O)NCCC(CO)(O)C" . "BDYFCJQKSYBTAK-UHFFFAOYSA-N" . "InChI=1S/C20H24F2N6O4/c1-20(31,10-29)4-5-24-19(30)15-9-25-18-14(23-2)8-16(27-28(15)18)26-13-7-11(21)6-12(22)17(13)32-3/h6-9,23,29,31H,4-5,10H2,1-3H3,(H,24,30)(H,26,27)" . "COC(=O)CC(=C)C(=O)OC" . "COC(=O)CC(=C)C(=O)OC" . "ZWWQRMFIZFPUAA-UHFFFAOYSA-N" . "InChI=1S/C7H10O4/c1-5(7(9)11-3)4-6(8)10-2/h1,4H2,2-3H3" . "CCCS(=O)(=O)NC1CC(C1)N(c1ncnc2c1cc[nH]2)C" . "CCCS(=O)(=O)N[C@@H]1C[C@@H](C1)N(c1ncnc2c1cc[nH]2)C" . "IUEWXNHSKRWHDY-PHIMTYICSA-N" . "InChI=1S/C14H21N5O2S/c1-3-6-22(20,21)18-10-7-11(8-10)19(2)14-12-4-5-15-13(12)16-9-17-14/h4-5,9-11,18H,3,6-8H2,1-2H3,(H,15,16,17)/t10-,11+" . "Nc1ncc(cc1C(F)(F)F)c1nn(c(c1)C1C2C1CN(C2)C1COC1)CC1CC1" . "Nc1ncc(cc1C(F)(F)F)c1nn(c(c1)[C@@H]1[C@@H]2[C@H]1CN(C2)C1COC1)CC1CC1" . "IRPVABHDSJVBNZ-QWHZDKJVSA-N" . "InChI=1S/C21H24F3N5O/c22-21(23,24)16-3-12(5-26-20(16)25)17-4-18(29(27-17)6-11-1-2-11)19-14-7-28(8-15(14)19)13-9-30-10-13/h3-5,11,13-15,19H,1-2,6-10H2,(H2,25,26)/t14-,15+,19+" . "N#Cc1ccnc(c1)Nc1cc(n(n1)C1CCCC1)C1CCN(CC1)C1COC1" . "N#Cc1ccnc(c1)Nc1cc(n(n1)C1CCCC1)C1CCN(CC1)C1COC1" . "GMTAOJMPNXLKJI-UHFFFAOYSA-N" . "InChI=1S/C22H28N6O/c23-13-16-5-8-24-21(11-16)25-22-12-20(28(26-22)18-3-1-2-4-18)17-6-9-27(10-7-17)19-14-29-15-19/h5,8,11-12,17-19H,1-4,6-7,9-10,14-15H2,(H,24,25,26)" . "Cn1nc2c(c1)c1c3C(=O)NCc3c3c(c1CC2)n(C(C)C)c1c3cc(cc1)Oc1ncccn1" . "Cn1nc2c(c1)c1c3C(=O)NCc3c3c(c1CC2)n(C(C)C)c1c3cc(cc1)Oc1ncccn1" . "GCRBQBQLMPBGQC-UHFFFAOYSA-N" . "InChI=1S/C27H24N6O2/c1-14(2)33-21-8-5-15(35-27-28-9-4-10-29-27)11-17(21)23-18-12-30-26(34)24(18)22-16(25(23)33)6-7-20-19(22)13-32(3)31-20/h4-5,8-11,13-14H,6-7,12H2,1-3H3,(H,30,34)" . "O=C(CCCOc1cccc2c1ccc(n2)c1nnn(c1)c1ccc(c(c1)F)O)NCCCCCNC(=S)Nc1ccc2c(c1)C(=O)OC12c2ccc(cc2Oc2c1ccc(c2)O)O" . "O=C(CCCOc1cccc2c1ccc(n2)c1nnn(c1)c1ccc(c(c1)F)O)NCCCCCNC(=S)Nc1ccc2c(c1)C(=O)OC12c2ccc(cc2Oc2c1ccc(c2)O)O" . "BMCSDEYJDALUKV-UHFFFAOYSA-N" . "InChI=1S/C47H40FN7O8S/c48-36-23-28(10-18-40(36)58)55-26-39(53-54-55)38-17-13-31-37(52-38)6-4-7-41(31)61-21-5-8-44(59)49-19-2-1-3-20-50-46(64)51-27-9-14-33-32(22-27)45(60)63-47(33)34-15-11-29(56)24-42(34)62-43-25-30(57)12-16-35(43)47/h4,6-7,9-18,22-26,56-58H,1-3,5,8,19-21H2,(H,49,59)(H2,50,51,64)" . "OC(=O)c1cccc(c1)Oc1cccc2c1ccc(n2)c1nnn(c1)c1ccc(c(c1)F)O" . "OC(=O)c1cccc(c1)Oc1cccc2c1ccc(n2)c1nnn(c1)c1ccc(c(c1)F)O" . "RXHQCISHMPQZDT-UHFFFAOYSA-N" . "InChI=1S/C24H15FN4O4/c25-18-12-15(7-10-22(18)30)29-13-21(27-28-29)20-9-8-17-19(26-20)5-2-6-23(17)33-16-4-1-3-14(11-16)24(31)32/h1-13,30H,(H,31,32)" . "Oc1ccc2c(c1)occ(c2=O)c1ccc(c(c1)O)O" . "Oc1ccc2c(c1)occ(c2=O)c1ccc(c(c1)O)O" . "DDKGKOOLFLYZDL-UHFFFAOYSA-N" . "InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H" . "COC(=O)CC1ONC(=C2C=CC(=O)C=C2)C1" . "COC(=O)CC1ONC(=C2C=CC(=O)C=C2)C1" . "CLVQGFPQFNASJH-UHFFFAOYSA-N" . "InChI=1S/C12H13NO4/c1-16-12(15)7-10-6-11(13-17-10)8-2-4-9(14)5-3-8/h2-5,10,13H,6-7H2,1H3" . "Fc1ccc(cc1)C(c1ccc(cc1)F)OCCN1CCN(CC1)CCCc1ccccc1" . "Fc1ccc(cc1)C(c1ccc(cc1)F)OCCN1CCN(CC1)CCCc1ccccc1" . "NAUWTFJOPJWYOT-UHFFFAOYSA-N" . "InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2" . "NCC(=O)N1CCn2c(C1(C)C)nc(c2Nc1ccc(cc1)F)c1ccc(cc1)F" . "NCC(=O)N1CCn2c(C1(C)C)nc(c2Nc1ccc(cc1)F)c1ccc(cc1)F" . "BUPRVECGWBHCQV-UHFFFAOYSA-N" . "InChI=1S/C22H23F2N5O/c1-22(2)21-27-19(14-3-5-15(23)6-4-14)20(26-17-9-7-16(24)8-10-17)28(21)11-12-29(22)18(30)13-25/h3-10,26H,11-13,25H2,1-2H3" . "NC1=NC2(CO1)c1cc(ccc1Oc1c2cc(nc1F)C1=CCCOC1)c1ncccc1F" . "NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c2cc(nc1F)C1=CCCOC1)c1ncccc1F" . "HGRWHBQLRXWSLV-DEOSSOPVSA-N" . "InChI=1S/C24H18F2N4O3/c25-17-4-1-7-28-20(17)13-5-6-19-15(9-13)24(12-32-23(27)30-24)16-10-18(14-3-2-8-31-11-14)29-22(26)21(16)33-19/h1,3-7,9-10H,2,8,11-12H2,(H2,27,30)/t24-/m0/s1" . "O=C(Nc1nccs1)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C" . "O=C(Nc1nccs1)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C" . "NZXOWNNCAZTBDJ-UHFFFAOYSA-N" . "InChI=1S/C18H18N4O3S2/c1-22(13-14-5-3-2-4-6-14)27(24,25)16-9-7-15(8-10-16)20-17(23)21-18-19-11-12-26-18/h2-12H,13H2,1H3,(H2,19,20,21,23)" . "COC1COCCC1NC1CCC(C1)(C(C)C)C(=O)N1CC2CC1CN2c1ncnc(c1)C(F)(F)F" . "CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncnc(c1)C(F)(F)F" . "MCRWZBYTLVCCJJ-DKALBXGISA-N" . "InChI=1S/C25H36F3N5O3/c1-15(2)24(6-4-16(10-24)31-19-5-7-36-13-20(19)35-3)23(34)33-12-17-8-18(33)11-32(17)22-9-21(25(26,27)28)29-14-30-22/h9,14-20,31H,4-8,10-13H2,1-3H3/t16-,17+,18+,19+,20-,24+/m1/s1" . "Cc1ccccc1Cn1c(=O)c2CN(CCc2n2c1=NCC2)Cc1ccccc1" . "Cc1ccccc1Cn1c(=O)c2CN(CCc2n2c1=NCC2)Cc1ccccc1" . "VLULRUCCHYVXOH-UHFFFAOYSA-N" . "InChI=1S/C24H26N4O/c1-18-7-5-6-10-20(18)16-28-23(29)21-17-26(15-19-8-3-2-4-9-19)13-11-22(21)27-14-12-25-24(27)28/h2-10H,11-17H2,1H3" . "CC(c1ncc(s1)C(=O)Nc1ncc(c(c1)C(F)(F)F)Cl)NC(=O)c1ncnc(c1Cl)N" . "C[C@H](c1ncc(s1)C(=O)Nc1ncc(c(c1)C(F)(F)F)Cl)NC(=O)c1ncnc(c1Cl)N" . "VWMJHAFYPMOMGF-ZCFIWIBFSA-N" . "InChI=1S/C17H12Cl2F3N7O2S/c1-6(28-15(31)12-11(19)13(23)27-5-26-12)16-25-4-9(32-16)14(30)29-10-2-7(17(20,21)22)8(18)3-24-10/h2-6H,1H3,(H,28,31)(H2,23,26,27)(H,24,29,30)/t6-/m1/s1" . "O=C1Nc2cc3[nH]nc(c3cc2CN1Cc1ccccc1)c1ccncc1" . "O=C1Nc2cc3[nH]nc(c3cc2CN1Cc1ccccc1)c1ccncc1" . "ODIUJYZERXVGEI-UHFFFAOYSA-N" . "InChI=1S/C21H17N5O/c27-21-23-18-11-19-17(20(25-24-19)15-6-8-22-9-7-15)10-16(18)13-26(21)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,23,27)(H,24,25)" . "O=C1c2cc(sc2C(N1CCN1CCOCC1)(C)C)c1ccnc(n1)Nc1ccnn1C" . "O=C1c2cc(sc2C(N1CCN1CCOCC1)(C)C)c1ccnc(n1)Nc1ccnn1C" . "JNPRPMBJODOFEC-UHFFFAOYSA-N" . "InChI=1S/C22H27N7O2S/c1-22(2)19-15(20(30)29(22)9-8-28-10-12-31-13-11-28)14-17(32-19)16-4-6-23-21(25-16)26-18-5-7-24-27(18)3/h4-7,14H,8-13H2,1-3H3,(H,23,25,26)" . "CSC1(CCN(C1)CC(=O)N1CCC(=CC1)c1ccc(cc1)c1ncn(n1)C)C(=O)Nc1ccc2c(c1)c(n[nH]2)c1ccc(nc1)OC(C)C" . "CS[C@]1(CCN(C1)CC(=O)N1CCC(=CC1)c1ccc(cc1)c1ncn(n1)C)C(=O)Nc1ccc2c(c1)c(n[nH]2)c1ccc(nc1)OC(C)C" . "KPQQGHGDBBJGFA-QNGWXLTQSA-N" . "InChI=1S/C37H41N9O3S/c1-24(2)49-32-12-9-28(20-38-32)34-30-19-29(10-11-31(30)41-42-34)40-36(48)37(50-4)15-18-45(22-37)21-33(47)46-16-13-26(14-17-46)25-5-7-27(8-6-25)35-39-23-44(3)43-35/h5-13,19-20,23-24H,14-18,21-22H2,1-4H3,(H,40,48)(H,41,42)/t37-/m0/s1" . "OCC(c1cccc(c1)C)NC(=O)C(N1Cc2c(C1=O)cc(cc2)c1nc(ncc1Cl)NC1CCOCC1)C" . "OC[C@H](c1cccc(c1)C)NC(=O)[C@H](N1Cc2c(C1=O)cc(cc2)c1nc(ncc1Cl)NC1CCOCC1)C" . "XHOJEECXVUMYMF-IQGLISFBSA-N" . "InChI=1S/C29H32ClN5O4/c1-17-4-3-5-19(12-17)25(16-36)33-27(37)18(2)35-15-21-7-6-20(13-23(21)28(35)38)26-24(30)14-31-29(34-26)32-22-8-10-39-11-9-22/h3-7,12-14,18,22,25,36H,8-11,15-16H2,1-2H3,(H,33,37)(H,31,32,34)/t18-,25-/m1/s1" . "CNC1CN(C1)c1nc2ncc(cc2n2c1nnn2)Br" . "CNC1CN(C1)c1nc2ncc(cc2n2c1nnn2)Br" . "ICGICUHMULRYIQ-UHFFFAOYSA-N" . "InChI=1S/C11H11BrN8/c1-13-7-4-19(5-7)10-11-16-17-18-20(11)8-2-6(12)3-14-9(8)15-10/h2-3,7,13H,4-5H2,1H3" . "CN(CC1=C(CNc2ccnc3c2ccc(c3)Cl)C=C(C1)[Fe]C1=CC=CC1)C" . "CN(CC1=C(CNc2ccnc3c2ccc(c3)Cl)C=C(C1)[Fe]C1=CC=CC1)C" . "IRJOHJGUSPNBRI-UHFFFAOYSA-N" . "InChI=1S/C18H19ClN3.C5H5.Fe/c1-22(2)12-14-5-3-4-13(14)11-21-17-8-9-20-18-10-15(19)6-7-16(17)18;1-2-4-5-3-1;/h4,6-10H,5,11-12H2,1-2H3,(H,20,21);1-3H,4H2;" . "O1CCN(CC1)CCOc1ccc(cc1)C1CCC2(CC1)OOC1(O2)C2CC3CC1CC(C2)C3" . "O1CCN(CC1)CCOc1ccc(cc1)C1CCC2(CC1)OOC1(O2)C2CC3CC1CC(C2)C3" . "XLCNVWUKICLURR-UHFFFAOYSA-N" . "InChI=1S/C28H39NO5/c1-3-26(31-14-11-29-9-12-30-13-10-29)4-2-22(1)23-5-7-27(8-6-23)32-28(34-33-27)24-16-20-15-21(18-24)19-25(28)17-20/h1-4,20-21,23-25H,5-19H2" . "Fc1ccc(c(c1)F)n1nnc(c1)CN1C(=O)Nc2c(C1c1ccccc1)cc(cc2)c1c(C)noc1C" . "Fc1ccc(c(c1)F)n1nnc(c1)CN1C(=O)Nc2c(C1c1ccccc1)cc(cc2)c1c(C)noc1C" . "GTJYIEXTEWAMFX-UHFFFAOYSA-N" . "InChI=1S/C28H22F2N6O2/c1-16-26(17(2)38-33-16)19-8-10-24-22(12-19)27(18-6-4-3-5-7-18)35(28(37)31-24)14-21-15-36(34-32-21)25-11-9-20(29)13-23(25)30/h3-13,15,27H,14H2,1-2H3,(H,31,37)" . "CCCCN(CC(c1cc(Cl)cc2c1c1ccc(cc1C2=Cc1ccc(cc1)Cl)Cl)O)CCCC" . "CCCCN(CC(c1cc(Cl)cc2c1c1ccc(cc1/C/2=C/c1ccc(cc1)Cl)Cl)O)CCCC" . "DYLGFOYVTXJFJP-MYYYXRDXSA-N" . "InChI=1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3/b25-15-" . "Brc1ccc(cc1)CCNc1cc(=O)[nH]c(=O)[nH]1" . "Brc1ccc(cc1)CCNc1cc(=O)[nH]c(=O)[nH]1" . "XGNIAOMGYRRHNY-UHFFFAOYSA-N" . "InChI=1S/C12H12BrN3O2/c13-9-3-1-8(2-4-9)5-6-14-10-7-11(17)16-12(18)15-10/h1-4,7H,5-6H2,(H3,14,15,16,17,18)" . "Cc1cc(C)c2c(c1)c(cc(n2)c1ccccn1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C" . "Cc1cc(C)c2c(c1)c(cc(n2)c1ccccn1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C" . "HTSLEZOTMYUPLU-UHFFFAOYSA-N" . "InChI=1S/C28H25N5O4S/c1-16-13-17(2)26-22(14-16)23(15-25(31-26)24-7-5-6-12-29-24)27(34)30-20-8-10-21(11-9-20)38(35,36)33-28-18(3)19(4)32-37-28/h5-15,33H,1-4H3,(H,30,34)" . "CCOC(=O)N1CCC(CC1)NC1=C(C(=O)C1=O)NCCN1CCN(CC1)c1cccc(c1)C(F)(F)F" . "CCOC(=O)N1CCC(CC1)NC1=C(C(=O)C1=O)NCCN1CCN(CC1)c1cccc(c1)C(F)(F)F" . "ZKITWOVRRSBKFG-UHFFFAOYSA-N" . "InChI=1S/C25H32F3N5O4/c1-2-37-24(36)33-9-6-18(7-10-33)30-21-20(22(34)23(21)35)29-8-11-31-12-14-32(15-13-31)19-5-3-4-17(16-19)25(26,27)28/h3-5,16,18,29-30H,2,6-15H2,1H3" . "Cc1nn(c(c1c1ccc(c(c1)Cl)Cl)N)C(=O)C" . "Cc1nn(c(c1c1ccc(c(c1)Cl)Cl)N)C(=O)C" . "HJXDCOSNNVYHCY-UHFFFAOYSA-N" . "InChI=1S/C12H11Cl2N3O/c1-6-11(12(15)17(16-6)7(2)18)8-3-4-9(13)10(14)5-8/h3-5H,15H2,1-2H3" . "COc1cc(nc(c1)c1cccc(c1)C#CC1(O)CCN(C1=O)C)C(=O)N" . "COc1cc(nc(c1)c1cccc(c1)C#C[C@]1(O)CCN(C1=O)C)C(=O)N" . "LQSHXYHWYGKAMX-FQEVSTJZSA-N" . "InChI=1S/C20H19N3O4/c1-23-9-8-20(26,19(23)25)7-6-13-4-3-5-14(10-13)16-11-15(27-2)12-17(22-16)18(21)24/h3-5,10-12,26H,8-9H2,1-2H3,(H2,21,24)/t20-/m0/s1" . "N#Cc1ccc(nc1)C(=O)Nc1ccc(c(c1)C1(C)C=CSC(=N1)N)F" . "N#Cc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@]1(C)C=CSC(=N1)N)F" . "VLLFGVHGKLDDLW-SFHVURJKSA-N" . "InChI=1S/C18H14FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1" . "OCCOc1ccc(cc1c1ccc(c(c1)C(C)(C)C)N1CCCC1)c1ccc(cc1)C(=O)O" . "OCCOc1ccc(cc1c1ccc(c(c1)C(C)(C)C)N1CCCC1)c1ccc(cc1)C(=O)O" . "MFBCDACCJCDGBA-UHFFFAOYSA-N" . "InChI=1S/C29H33NO4/c1-29(2,3)25-19-23(10-12-26(25)30-14-4-5-15-30)24-18-22(11-13-27(24)34-17-16-31)20-6-8-21(9-7-20)28(32)33/h6-13,18-19,31H,4-5,14-17H2,1-3H3,(H,32,33)" . "CN(c1nc(nc2c1cccc2)N1CCCC1)C" . "CN(c1nc(nc2c1cccc2)N1CCCC1)C" . "VONNLDQOEHSECV-UHFFFAOYSA-N" . "InChI=1S/C14H18N4/c1-17(2)13-11-7-3-4-8-12(11)15-14(16-13)18-9-5-6-10-18/h3-4,7-8H,5-6,9-10H2,1-2H3" . "N#Cc1c(ncnc1N)NC(c1cc2scc(n2c(=O)c1c1cccc(c1)CN1CCC(CC1)N(CC(C)C)C)C)C" . "N#Cc1c(ncnc1N)N[C@H](c1cc2scc(n2c(=O)c1c1cccc(c1)CN1CCC(CC1)N(CC(C)C)C)C)C" . "ZUQSHQGUCXJKSV-QFIPXVFZSA-N" . "InChI=1S/C32H40N8OS/c1-20(2)16-38(5)25-9-11-39(12-10-25)17-23-7-6-8-24(13-23)29-26(14-28-40(32(29)41)21(3)18-42-28)22(4)37-31-27(15-33)30(34)35-19-36-31/h6-8,13-14,18-20,22,25H,9-12,16-17H2,1-5H3,(H3,34,35,36,37)/t22-/m0/s1" . "COc1nc(OC)ncc1c1cnc2c(c1)c(ccc2C(=O)O)C(=O)O" . "COc1nc(OC)ncc1c1cnc2c(c1)c(ccc2C(=O)O)C(=O)O" . "CAGSRYBLIZYFGG-UHFFFAOYSA-N" . "InChI=1S/C17H13N3O6/c1-25-14-12(7-19-17(20-14)26-2)8-5-11-9(15(21)22)3-4-10(16(23)24)13(11)18-6-8/h3-7H,1-2H3,(H,21,22)(H,23,24)" . "CCOC1OC2OC3(C)CCC4C2(C(C1C)CCC4C)OO3" . "CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3" . "NLYNIRQVMRLPIQ-XQLAAWPRSA-N" . "InChI=1S/C17H28O5/c1-5-18-14-11(3)13-7-6-10(2)12-8-9-16(4)20-15(19-14)17(12,13)22-21-16/h10-15H,5-9H2,1-4H3/t10-,11-,12+,13+,14+,15-,16-,17-/m1/s1" . "OC1OC2OC3(C)CCC4C2(C(C1C)CCC4C)OO3" . "O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3" . "BJDCWCLMFKKGEE-ISOSDAIHSA-N" . "InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14-,15-/m1/s1" . "OC(=O)CCC(=O)OC1OC2OC3(C)CCC4C2(C(C1C)CCC4C)OO3" . "OC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3" . "FIHJKUPKCHIPAT-AHIGJZGOSA-N" . "InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16-,17-,18-,19-/m1/s1" . "COC1OC2OC3(C)CCC4C2(C(C1C)CCC4C)OO3" . "CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3" . "SXYIRMFQILZOAM-HVNFFKDJSA-N" . "InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1" . "O=C1OC2OC3(C)CCC4C2(C(C1C)CCC4C)OO3" . "O=C1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3" . "BLUAFEHZUWYNDE-NNWCWBAJSA-N" . "InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1" . "OC(=O)C1CCN(CC1)c1ncc(cc1Cl)C(=O)Nc1sc(c(n1)c1scc(c1)Cl)N1CCN(CC1)C1CCCCC1" . "OC(=O)C1CCN(CC1)c1ncc(cc1Cl)C(=O)Nc1sc(c(n1)c1scc(c1)Cl)N1CCN(CC1)C1CCCCC1" . "OFZJKCQENFPZBH-UHFFFAOYSA-N" . "InChI=1S/C29H34Cl2N6O3S2/c30-20-15-23(41-17-20)24-27(37-12-10-35(11-13-37)21-4-2-1-3-5-21)42-29(33-24)34-26(38)19-14-22(31)25(32-16-19)36-8-6-18(7-9-36)28(39)40/h14-18,21H,1-13H2,(H,39,40)(H,33,34,38)" . "NCCCC(Nc1cc(OC)cc2c1nccc2)C" . "NCCCC(Nc1cc(OC)cc2c1nccc2)C" . "INDBQLZJXZLFIT-UHFFFAOYSA-N" . "InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3" . "[O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-]" . "[O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-]" . "SNIOPGDIGTZGOP-UHFFFAOYSA-N" . "InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2" . "O=S(=O)(c1cc(ccc1C(F)(F)F)S(=O)(=O)c1ccccc1)NC1CCNCC1" . "O=S(=O)(c1cc(ccc1C(F)(F)F)S(=O)(=O)c1ccccc1)NC1CCNCC1" . "ITBGJNVZJBVPLJ-UHFFFAOYSA-N" . "InChI=1S/C18H19F3N2O4S2/c19-18(20,21)16-7-6-15(28(24,25)14-4-2-1-3-5-14)12-17(16)29(26,27)23-13-8-10-22-11-9-13/h1-7,12-13,22-23H,8-11H2" . "COc1nccc(c1)NC(=O)C(=O)c1c2cc(C)ccc2n(c1C)Cc1ccc(cc1)Cl" . "COc1nccc(c1)NC(=O)C(=O)c1c2cc(C)ccc2n(c1C)Cc1ccc(cc1)Cl" . "RIKZRSJVZWKHNX-UHFFFAOYSA-N" . "InChI=1S/C25H22ClN3O3/c1-15-4-9-21-20(12-15)23(16(2)29(21)14-17-5-7-18(26)8-6-17)24(30)25(31)28-19-10-11-27-22(13-19)32-3/h4-13H,14H2,1-3H3,(H,27,28,31)" . "FC(Oc1ccc(nc1)C(=O)Nc1csc(n1)C12COC(CC2CSC(=N1)NC(=O)c1ccccc1)C)F" . "FC(Oc1ccc(nc1)C(=O)Nc1csc(n1)[C@@]12CO[C@H](C[C@H]2CSC(=N1)NC(=O)c1ccccc1)C)F" . "JQUCWIWWWKZNCS-LESHARBVSA-N" . "InChI=1S/C25H23F2N5O4S2/c1-14-9-16-11-38-24(31-20(33)15-5-3-2-4-6-15)32-25(16,13-35-14)22-30-19(12-37-22)29-21(34)18-8-7-17(10-28-18)36-23(26)27/h2-8,10,12,14,16,23H,9,11,13H2,1H3,(H,29,34)(H,31,32,33)/t14-,16-,25-/m0/s1" . "CN(CCCOc1ccc(cn1)c1ccc2c(c1)c1c(cn2)n(c(=O)n1C1CCOCC1)C)C" . "CN(CCCOc1ccc(cn1)c1ccc2c(c1)c1c(cn2)n(c(=O)n1C1CCOCC1)C)C" . "AOTRIQLYUAFVSC-UHFFFAOYSA-N" . "InChI=1S/C26H31N5O3/c1-29(2)11-4-12-34-24-8-6-19(16-28-24)18-5-7-22-21(15-18)25-23(17-27-22)30(3)26(32)31(25)20-9-13-33-14-10-20/h5-8,15-17,20H,4,9-14H2,1-3H3" . "NC1COCCC1Nc1nnc(c(n1)Nc1cc(C)c2c(c1)cn(n2)C(C)(C)C)C(=O)N" . "N[C@H]1COCC[C@H]1Nc1nnc(c(n1)Nc1cc(C)c2c(c1)cn(n2)C(C)(C)C)C(=O)N" . "ATERGQQFFHVNOJ-LSDHHAIUSA-N" . "InChI=1S/C21H29N9O2/c1-11-7-13(8-12-9-30(21(2,3)4)29-16(11)12)24-19-17(18(23)31)27-28-20(26-19)25-15-5-6-32-10-14(15)22/h7-9,14-15H,5-6,10,22H2,1-4H3,(H2,23,31)(H2,24,25,26,28)/t14-,15+/m0/s1" . "ON=C(c1nonc1N)N1Cc2c(C1)cccc2" . "O/N=C(/c1nonc1N)/N1Cc2c(C1)cccc2" . "QHVIXMMITPHBSL-ACCUITESSA-N" . "InChI=1S/C11H11N5O2/c12-10-9(14-18-15-10)11(13-17)16-5-7-3-1-2-4-8(7)6-16/h1-4,17H,5-6H2,(H2,12,15)/b13-11+" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CO)CC(=O)N)CCC(=O)O)C)CCCN=C(N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CCC(=O)O)N)CCCCN)Cc1ccccc1)CC(C)C" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CC(=O)N)CCC(=O)O)C)CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)N)CCCCN)Cc1ccccc1)CC(C)C" . "WAKZDRBORDWUSJ-NXCVNOGKSA-N" . "InChI=1S/C53H88N16O17/c1-28(2)24-36(66-50(83)37(25-30-12-5-4-6-13-30)67-47(80)32(14-7-9-21-54)63-44(77)31(56)17-19-41(72)73)49(82)65-33(15-8-10-22-55)46(79)64-34(16-11-23-60-53(58)59)45(78)61-29(3)43(76)62-35(18-20-42(74)75)48(81)68-38(26-40(57)71)51(84)69-39(27-70)52(85)86/h4-6,12-13,28-29,31-39,70H,7-11,14-27,54-56H2,1-3H3,(H2,57,71)(H,61,78)(H,62,76)(H,63,77)(H,64,79)(H,65,82)(H,66,83)(H,67,80)(H,68,81)(H,69,84)(H,72,73)(H,74,75)(H,85,86)(H4,58,59,60)/t29-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1" . "NC1CCC(CC1)Nc1nc(Nc2ccc(cc2)CN2CCOCC2)c2c(n1)n(cn2)C1CCCC1" . "N[C@@H]1CC[C@H](CC1)Nc1nc(Nc2ccc(cc2)CN2CCOCC2)c2c(n1)n(cn2)C1CCCC1" . "SAEGVASGMTZGFI-AQYVVDRMSA-N" . "InChI=1S/C27H38N8O/c28-20-7-11-22(12-8-20)31-27-32-25(24-26(33-27)35(18-29-24)23-3-1-2-4-23)30-21-9-5-19(6-10-21)17-34-13-15-36-16-14-34/h5-6,9-10,18,20,22-23H,1-4,7-8,11-17,28H2,(H2,30,31,32,33)/t20-,22-" . "Clc1ccccc1n1[nH]c2c(c1=O)c(C)n(c(=O)c2)Cc1ccccn1" . "Clc1ccccc1n1[nH]c2c(c1=O)c(C)n(c(=O)c2)Cc1ccccn1" . "DNKYHHFCPXKFIY-UHFFFAOYSA-N" . "InChI=1S/C19H15ClN4O2/c1-12-18-15(10-17(25)23(12)11-13-6-4-5-9-21-13)22-24(19(18)26)16-8-3-2-7-14(16)20/h2-10,22H,11H2,1H3" . "CN(Cc1n(Cc2ccn(n2)C)c(=O)cc2c1c(=O)n([nH]2)c1ccccc1Cl)Cc1cccnc1" . "CN(Cc1n(Cc2ccn(n2)C)c(=O)cc2c1c(=O)n([nH]2)c1ccccc1Cl)Cc1cccnc1" . "QEBYEVQKHRUYPE-UHFFFAOYSA-N" . "InChI=1S/C25H24ClN7O2/c1-30(14-17-6-5-10-27-13-17)16-22-24-20(12-23(34)32(22)15-18-9-11-31(2)28-18)29-33(25(24)35)21-8-4-3-7-19(21)26/h3-13,29H,14-16H2,1-2H3" . "[O-][N+](=O)c1cccc2c1c1c([I-]2)cccc1[N+](=O)[O-]" . "[O-][N+](=O)c1cccc2c1c1c([I-]2)cccc1[N+](=O)[O-]" . "NBIXKUWRZRFYBQ-UHFFFAOYSA-N" . "InChI=1S/C12H6IN2O4/c16-14(17)9-5-1-3-7-11(9)12-8(13-7)4-2-6-10(12)15(18)19/h1-6H/q-1" . "Clc1ccccc1n1[nH]c2c(c1=O)c(c1cccc(c1)N(C)C)n(c(=O)c2)C" . "Clc1ccccc1n1[nH]c2c(c1=O)c(c1cccc(c1)N(C)C)n(c(=O)c2)C" . "RGYQPQARIQKJKH-UHFFFAOYSA-N" . "InChI=1S/C21H19ClN4O2/c1-24(2)14-8-6-7-13(11-14)20-19-16(12-18(27)25(20)3)23-26(21(19)28)17-10-5-4-9-15(17)22/h4-12,23H,1-3H3" . "Clc1ccccc1n1[nH]c2c(c1=O)c1CN(CCCn1c(=O)c2)Cc1ccccc1" . "Clc1ccccc1n1[nH]c2c(c1=O)c1CN(CCCn1c(=O)c2)Cc1ccccc1" . "DISVMXDWAMMVLT-UHFFFAOYSA-N" . "InChI=1S/C23H21ClN4O2/c24-17-9-4-5-10-19(17)28-23(30)22-18(25-28)13-21(29)27-12-6-11-26(15-20(22)27)14-16-7-2-1-3-8-16/h1-5,7-10,13,25H,6,11-12,14-15H2" . "OC(CN1CCCc2c(C1=O)c(C)c([nH]2)C=C1C(=O)Nc2c1cc(F)cc2)CN1CCOCC1" . "O[C@@H](CN1CCCc2c(C1=O)c(C)c([nH]2)/C=C/1/C(=O)Nc2c1cc(F)cc2)CN1CCOCC1" . "MCTXSDCWFQAGFS-UEXNTNOUSA-N" . "InChI=1S/C25H29FN4O4/c1-15-22(12-19-18-11-16(26)4-5-20(18)28-24(19)32)27-21-3-2-6-30(25(33)23(15)21)14-17(31)13-29-7-9-34-10-8-29/h4-5,11-12,17,27,31H,2-3,6-10,13-14H2,1H3,(H,28,32)/b19-12-/t17-/m1/s1" . "C#Cc1cccc(c1)NC1N=CN=C2C1C=C(NC(=O)N1CC3C(C1)CCN3C)C(=C2)OC" . "C#Cc1cccc(c1)NC1N=CN=C2C1C=C(NC(=O)N1C[C@H]3[C@@H](C1)CCN3C)C(=C2)OC" . "HJXSISWJKLMCHI-FIFRQSLGSA-N" . "InChI=1S/C25H28N6O2/c1-4-16-6-5-7-18(10-16)28-24-19-11-21(23(33-3)12-20(19)26-15-27-24)29-25(32)31-13-17-8-9-30(2)22(17)14-31/h1,5-7,10-12,15,17,19,22,24,28H,8-9,13-14H2,2-3H3,(H,29,32)/t17-,19?,22+,24?/m1/s1" . "c1cnc2c(c1)cc(cc2)Nc1nc(NC2CC2)c2c(n1)nc[nH]2" . "c1cnc2c(c1)cc(cc2)Nc1nc(NC2CC2)c2c(n1)nc[nH]2" . "QUTFBURLXCODBH-UHFFFAOYSA-N" . "InChI=1S/C17H15N7/c1-2-10-8-12(5-6-13(10)18-7-1)22-17-23-15-14(19-9-20-15)16(24-17)21-11-3-4-11/h1-2,5-9,11H,3-4H2,(H3,19,20,21,22,23,24)" . "CN1CCN(CC1)c1ccc(cc1C)Nc1ncc(c(n1)NC1C2C=CC(C1C(=O)N)C2)F" . "CN1CCN(CC1)c1ccc(cc1C)Nc1ncc(c(n1)N[C@@H]1[C@H]2C=C[C@@H]([C@@H]1C(=O)N)C2)F" . "KSOVGRCOLZZTPF-QMKUDKLTSA-N" . "InChI=1S/C24H30FN7O/c1-14-11-17(5-6-19(14)32-9-7-31(2)8-10-32)28-24-27-13-18(25)23(30-24)29-21-16-4-3-15(12-16)20(21)22(26)33/h3-6,11,13,15-16,20-21H,7-10,12H2,1-2H3,(H2,26,33)(H2,27,28,29,30)/t15-,16+,20+,21-/m1/s1" . "N#CC(c1nc2c(s1)cccc2)c1ccnc(n1)OCc1ccc(cc1)CN1CCOCC1" . "N#CC(c1nc2c(s1)cccc2)c1ccnc(n1)OCc1ccc(cc1)CN1CCOCC1" . "XCPPIJCBCWUBNT-UHFFFAOYSA-N" . "InChI=1S/C25H23N5O2S/c26-15-20(24-28-22-3-1-2-4-23(22)33-24)21-9-10-27-25(29-21)32-17-19-7-5-18(6-8-19)16-30-11-13-31-14-12-30/h1-10,20H,11-14,16-17H2" . "CN1CCCC(C1)CN1c2ccccc2Sc2c1cccc2" . "CN1CCCC(C1)CN1c2ccccc2Sc2c1cccc2" . "CBHCDHNUZWWAPP-UHFFFAOYSA-N" . "InChI=1S/C19H22N2S/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21/h2-5,8-11,15H,6-7,12-14H2,1H3" . "COc1cc2c(cc1N1CCC(CC1)N1CCCC1)ncc(c2Nc1ccc(c(c1)Cl)Sc1nccn1C)C#N" . "COc1cc2c(cc1N1CCC(CC1)N1CCCC1)ncc(c2Nc1ccc(c(c1)Cl)Sc1nccn1C)C#N" . "CVAKNHIXTWLGJO-UHFFFAOYSA-N" . "InChI=1S/C30H32ClN7OS/c1-36-14-9-33-30(36)40-28-6-5-21(15-24(28)31)35-29-20(18-32)19-34-25-17-26(27(39-2)16-23(25)29)38-12-7-22(8-13-38)37-10-3-4-11-37/h5-6,9,14-17,19,22H,3-4,7-8,10-13H2,1-2H3,(H,34,35)" . "CCN(CCNC(=O)c1c(C)[nH]c(c1C)C=C1C(=O)Nc2c1cc(cc2)c1csc(n1)c1ccccc1)CC" . "CCN(CCNC(=O)c1c(C)[nH]c(c1C)C=C1C(=O)Nc2c1cc(cc2)c1csc(n1)c1ccccc1)CC" . "QDWKGEFGLQMDAM-UHFFFAOYSA-N" . "InChI=1S/C31H33N5O2S/c1-5-36(6-2)15-14-32-30(38)28-19(3)26(33-20(28)4)17-24-23-16-22(12-13-25(23)34-29(24)37)27-18-39-31(35-27)21-10-8-7-9-11-21/h7-13,16-18,33H,5-6,14-15H2,1-4H3,(H,32,38)(H,34,37)" . "OCC1N(C)CCC1c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1Cl)C(F)(F)F)O" . "OC[C@@H]1N(C)CC[C@H]1c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1Cl)C(F)(F)F)O" . "MRPGRAKIAJJGMM-OCCSQVGLSA-N" . "InChI=1S/C22H19ClF3NO5/c1-27-5-4-12(14(27)9-28)19-15(29)7-16(30)20-17(31)8-18(32-21(19)20)11-3-2-10(6-13(11)23)22(24,25)26/h2-3,6-8,12,14,28-30H,4-5,9H2,1H3/t12-,14+/m1/s1" . "Cc1cc(ccc1Oc1ccn2c(c1)ncn2)Nc1ncnc2c1cc(cc2)NC1=NC(CO1)(C)C" . "Cc1cc(ccc1Oc1ccn2c(c1)ncn2)Nc1ncnc2c1cc(cc2)NC1=NC(CO1)(C)C" . "SDEAXTCZPQIFQM-UHFFFAOYSA-N" . "InChI=1S/C26H24N8O2/c1-16-10-17(5-7-22(16)36-19-8-9-34-23(12-19)28-15-30-34)31-24-20-11-18(4-6-21(20)27-14-29-24)32-25-33-26(2,3)13-35-25/h4-12,14-15H,13H2,1-3H3,(H,32,33)(H,27,29,31)" . "CCN(CCNC(=O)c1c(C)[nH]c2c1CCCC2=C1C(=O)Nc2c1cc(F)cc2)CC" . "CCN(CCNC(=O)c1c(C)[nH]c2c1CCC/C/2=C/1/C(=O)Nc2c1cc(F)cc2)CC" . "KGSRYTUWXUESJK-FXBPSFAMSA-N" . "InChI=1S/C24H29FN4O2/c1-4-29(5-2)12-11-26-23(30)20-14(3)27-22-16(20)7-6-8-17(22)21-18-13-15(25)9-10-19(18)28-24(21)31/h9-10,13,27H,4-8,11-12H2,1-3H3,(H,26,30)(H,28,31)/b21-17-" . "COCCNCc1ccc(nc1)c1sc2c(c1)nccc2Oc1ccc(cc1F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F" . "COCCNCc1ccc(nc1)c1sc2c(c1)nccc2Oc1ccc(cc1F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F" . "WLAVZAAODLTUSW-UHFFFAOYSA-N" . "InChI=1S/C33H29F2N5O4S/c1-43-15-14-36-18-20-2-8-25(38-19-20)29-17-26-30(45-29)28(10-13-37-26)44-27-9-7-23(16-24(27)35)40-32(42)33(11-12-33)31(41)39-22-5-3-21(34)4-6-22/h2-10,13,16-17,19,36H,11-12,14-15,18H2,1H3,(H,39,41)(H,40,42)" . "CS(=O)CCNCc1ccc(o1)c1ccc2c(c1)c(ncn2)Nc1ccc(c(c1)Cl)OCc1cccc(c1)F" . "CS(=O)CCNCc1ccc(o1)c1ccc2c(c1)c(ncn2)Nc1ccc(c(c1)Cl)OCc1cccc(c1)F" . "OAMVGUFHZPRXOM-UHFFFAOYSA-N" . "InChI=1S/C29H26ClFN4O3S/c1-39(36)12-11-32-16-23-7-10-27(38-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)37-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)" . "Cn1ncc(c1)c1cnc2c(n1)n(nn2)C(c1ccc2n(c1)ccn2)C" . "Cn1ncc(c1)c1cnc2c(n1)n(nn2)[C@H](c1ccc2n(c1)ccn2)C" . "XYDNMOZJKOGZLS-NSHDSACASA-N" . "InChI=1S/C17H15N9/c1-11(12-3-4-15-18-5-6-25(15)10-12)26-17-16(22-23-26)19-8-14(21-17)13-7-20-24(2)9-13/h3-11H,1-2H3/t11-/m0/s1" . "OCCn1ncc2c1ccc(c2)Oc1ccc(cc1CNC(=O)Nc1cc(nn1c1ccc(cc1)C)C(C)(C)C)F" . "OCCn1ncc2c1ccc(c2)Oc1ccc(cc1CNC(=O)Nc1cc(nn1c1ccc(cc1)C)C(C)(C)C)F" . "LNMRSSIMGCDUTP-UHFFFAOYSA-N" . "InChI=1S/C31H33FN6O3/c1-20-5-8-24(9-6-20)38-29(17-28(36-38)31(2,3)4)35-30(40)33-18-22-15-23(32)7-12-27(22)41-25-10-11-26-21(16-25)19-34-37(26)13-14-39/h5-12,15-17,19,39H,13-14,18H2,1-4H3,(H2,33,35,40)" . "N#CN=c1n(c2ccc(nc2)C(C#N)(C)C)c2c(n1C)cnc1c2cc(cc1)c1cnc(c(c1)C(F)(F)F)N" . "N#CN=c1n(c2ccc(nc2)C(C#N)(C)C)c2c(n1C)cnc1c2cc(cc1)c1cnc(c(c1)C(F)(F)F)N" . "VJLRLTSXTLICIR-UHFFFAOYSA-N" . "InChI=1S/C27H20F3N9/c1-26(2,13-31)22-7-5-17(11-35-22)39-23-18-8-15(16-9-19(27(28,29)30)24(33)36-10-16)4-6-20(18)34-12-21(23)38(3)25(39)37-14-32/h4-12H,1-3H3,(H2,33,36)" . "OCCC(Nc1ncc2c(n1)n(C)c(=O)c(c2)Oc1ccc(cc1F)F)CCO" . "OCCC(Nc1ncc2c(n1)n(C)c(=O)c(c2)Oc1ccc(cc1F)F)CCO" . "JYYLVUFNAHSSFE-UHFFFAOYSA-N" . "InChI=1S/C19H20F2N4O4/c1-25-17-11(10-22-19(24-17)23-13(4-6-26)5-7-27)8-16(18(25)28)29-15-3-2-12(20)9-14(15)21/h2-3,8-10,13,26-27H,4-7H2,1H3,(H,22,23,24)" . "OCCn1ncc(c1)c1cnc(c2c1scc2c1ccc(cc1)NC(=O)Nc1cccc(c1)F)N" . "OCCn1ncc(c1)c1cnc(c2c1scc2c1ccc(cc1)NC(=O)Nc1cccc(c1)F)N" . "WPHKIQPVPYJNAX-UHFFFAOYSA-N" . "InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)" . "CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)C(=O)Nc1cnc(c(c1)Nc1nccc(n1)c1cccnc1)C" . "CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)C(=O)Nc1cnc(c(c1)Nc1nccc(n1)c1cccnc1)C" . "BJCJYEYYYGBROF-UHFFFAOYSA-N" . "InChI=1S/C29H29F3N8O/c1-19-26(38-28-34-9-7-25(37-28)21-4-3-8-33-16-21)15-23(17-35-19)36-27(41)20-5-6-22(24(14-20)29(30,31)32)18-40-12-10-39(2)11-13-40/h3-9,14-17H,10-13,18H2,1-2H3,(H,36,41)(H,34,37,38)" . "O=C(c1cccc2c1cccc2)CC[N+](C)(C)C" . "O=C(c1cccc2c1cccc2)CC[N+](C)(C)C" . "WZJKPXZLQTXALB-UHFFFAOYSA-N" . "InChI=1S/C16H20NO/c1-17(2,3)12-11-16(18)15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,11-12H2,1-3H3/q+1" . "C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc1ccc(c(c1)Cl)OCc1cccc(c1)F" . "C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc1ccc(c(c1)Cl)OCc1cccc(c1)F" . "MVZGYPSXNDCANY-UHFFFAOYSA-N" . "InChI=1S/C24H18ClFN4O2/c1-2-23(31)29-17-6-8-21-19(11-17)24(28-14-27-21)30-18-7-9-22(20(25)12-18)32-13-15-4-3-5-16(26)10-15/h2-12,14H,1,13H2,(H,29,31)(H,27,28,30)" . "OCC(Cn1cnc2c(c1=O)c(Nc1ccc(cc1F)I)c(c(=O)n2C)F)O" . "OC[C@@H](Cn1cnc2c(c1=O)c(Nc1ccc(cc1F)I)c(c(=O)n2C)F)O" . "RCLQNICOARASSR-SECBINFHSA-N" . "InChI=1S/C17H15F2IN4O4/c1-23-15-12(16(27)24(7-21-15)5-9(26)6-25)14(13(19)17(23)28)22-11-3-2-8(20)4-10(11)18/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m1/s1" . "OCCONC(=O)c1cc(CN2OCCCC2=O)c(c(c1Nc1ccc(cc1F)I)F)F" . "OCCONC(=O)c1cc(CN2OCCCC2=O)c(c(c1Nc1ccc(cc1F)I)F)F" . "FIMYFEGKMOCQKT-UHFFFAOYSA-N" . "InChI=1S/C20H19F3IN3O5/c21-14-9-12(24)3-4-15(14)25-19-13(20(30)26-31-7-5-28)8-11(17(22)18(19)23)10-27-16(29)2-1-6-32-27/h3-4,8-9,25,28H,1-2,5-7,10H2,(H,26,30)" . "OCCONC(=O)c1ccc2n(c1Nc1ccc(cc1F)I)cnc2" . "OCCONC(=O)c1ccc2n(c1Nc1ccc(cc1F)I)cnc2" . "RFWVETIZUQEJEF-UHFFFAOYSA-N" . "InChI=1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24)" . "Cn1cnc(c1)c1ccc(nc1)Nc1cc2n(cnc2c(c1F)C)CC1CC1" . "Cn1cnc(c1)c1ccc(nc1)Nc1cc2n(cnc2c(c1F)C)CC1CC1" . "INGJMHPGMVUEKY-UHFFFAOYSA-N" . "InChI=1S/C21H21FN6/c1-13-20(22)16(7-18-21(13)25-12-28(18)9-14-3-4-14)26-19-6-5-15(8-23-19)17-10-27(2)11-24-17/h5-8,10-12,14H,3-4,9H2,1-2H3,(H,23,26)" . "CCC(c1oc2ccccc2c(=O)c1c1cccc(c1)F)Nc1ncnc2c1[nH]cn2" . "CC[C@@H](c1oc2ccccc2c(=O)c1c1cccc(c1)F)Nc1ncnc2c1[nH]cn2" . "HDXDQPRPFRKGKZ-INIZCTEOSA-N" . "InChI=1S/C23H18FN5O2/c1-2-16(29-23-19-22(26-11-25-19)27-12-28-23)21-18(13-6-5-7-14(24)10-13)20(30)15-8-3-4-9-17(15)31-21/h3-12,16H,2H2,1H3,(H2,25,26,27,28,29)/t16-/m0/s1" . "O=C(N1CSCC1)C1NCC(C1)N1CCN(CC1)c1cc(nn1c1ccccc1)C" . "O=C(N1CSCC1)[C@H]1NC[C@H](C1)N1CCN(CC1)c1cc(nn1c1ccccc1)C" . "WGRQANOPCQRCME-PMACEKPBSA-N" . "InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1" . "CCN1CCC(CC1)Nc1ccc2c(c1)C(=C(c1ncc([nH]1)C)c1cccc(c1)F)C(=O)N2" . "CCN1CCC(CC1)Nc1ccc2c(c1)/C(=C(/c1ncc([nH]1)C)/c1cccc(c1)F)/C(=O)N2" . "DMQYDVBIPXAAJA-VHXPQNKSSA-N" . "InChI=1S/C26H28FN5O/c1-3-32-11-9-19(10-12-32)30-20-7-8-22-21(14-20)24(26(33)31-22)23(25-28-15-16(2)29-25)17-5-4-6-18(27)13-17/h4-8,13-15,19,30H,3,9-12H2,1-2H3,(H,28,29)(H,31,33)/b24-23-" . "NCc1ccc(cc1)c1cc2CCOc2c(c1)S(=O)(=O)Nc1ccsc1C(=O)NC(C(=O)O)CCCNC(=N)N" . "NCc1ccc(cc1)c1cc2CCOc2c(c1)S(=O)(=O)Nc1ccsc1C(=O)N[C@H](C(=O)O)CCCNC(=N)N" . "SEXUXSMBJLNXIR-FQEVSTJZSA-N" . "InChI=1S/C26H30N6O6S2/c27-14-15-3-5-16(6-4-15)18-12-17-7-10-38-22(17)21(13-18)40(36,37)32-19-8-11-39-23(19)24(33)31-20(25(34)35)2-1-9-30-26(28)29/h3-6,8,11-13,20,32H,1-2,7,9-10,14,27H2,(H,31,33)(H,34,35)(H4,28,29,30)/t20-/m0/s1" . "OC1CNCCC1CNc1cc(NCc2ccccc2)n2c(n1)c(cn2)C(C)C" . "O[C@H]1CNCC[C@@H]1CNc1cc(NCc2ccccc2)n2c(n1)c(cn2)C(C)C" . "YCVGLKWJKIKVBI-MJGOQNOKSA-N" . "InChI=1S/C22H30N6O/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m1/s1" . "O=C1OC(C(C1)NC(=O)C1(CC1)n1c(=O)c(NC(=O)c2ccc(cc2C)Nc2ccc3c(c2)cccc3)cn(c1=O)C(C)C)O" . "O=C1OC([C@H](C1)NC(=O)C1(CC1)n1c(=O)c(NC(=O)c2ccc(cc2C)Nc2ccc3c(c2)cccc3)cn(c1=O)C(C)C)O" . "BTGMTHBOODBMHN-SUHMBNCMSA-N" . "InChI=1S/C33H33N5O7/c1-18(2)37-17-26(29(41)38(32(37)44)33(12-13-33)31(43)36-25-16-27(39)45-30(25)42)35-28(40)24-11-10-22(14-19(24)3)34-23-9-8-20-6-4-5-7-21(20)15-23/h4-11,14-15,17-18,25,30,34,42H,12-13,16H2,1-3H3,(H,35,40)(H,36,43)/t25-,30?/m0/s1" . "Fc1cnc(nc1NCC(C(F)(F)F)(C(F)(F)F)O)c1nn(c(c1)c1nocc1)Cc1ccccc1F" . "Fc1cnc(nc1NCC(C(F)(F)F)(C(F)(F)F)O)c1nn(c(c1)c1nocc1)Cc1ccccc1F" . "CYSJNTQNMDWAJV-UHFFFAOYSA-N" . "InChI=1S/C21H14F8N6O2/c22-12-4-2-1-3-11(12)9-35-16(14-5-6-37-34-14)7-15(33-35)18-30-8-13(23)17(32-18)31-10-19(36,20(24,25)26)21(27,28)29/h1-8,36H,9-10H2,(H,30,31,32)" . "CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(C(CCCCCCCCCCCCCCC)O)COC1OC(COC(=C)CCc2ccccc2)C(C(C1O)O)O" . "CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H]([C@@H](CCCCCCCCCCCCCCC)O)CO[C@H]1O[C@H](COC(=C)CCc2ccccc2)[C@@H]([C@@H]([C@H]1O)O)O" . "AACQUTZHAXVZEB-MMSUBXCOSA-N" . "InChI=1S/C60H109NO8/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-42-46-56(63)61-53(54(62)45-41-36-34-32-30-28-17-15-13-11-9-7-5-2)49-68-60-59(66)58(65)57(64)55(69-60)50-67-51(3)47-48-52-43-39-38-40-44-52/h38-40,43-44,53-55,57-60,62,64-66H,3-37,41-42,45-50H2,1-2H3,(H,61,63)/t53-,54+,55+,57-,58-,59+,60-/m0/s1" . "O=C(c1ccc(cc1)Nc1oc(nc1C(=O)N)c1c(F)cccc1Cl)N1CCOCC1" . "O=C(c1ccc(cc1)Nc1oc(nc1C(=O)N)c1c(F)cccc1Cl)N1CCOCC1" . "HEDPDFHTQKEORT-UHFFFAOYSA-N" . "InChI=1S/C21H18ClFN4O4/c22-14-2-1-3-15(23)16(14)19-26-17(18(24)28)20(31-19)25-13-6-4-12(5-7-13)21(29)27-8-10-30-11-9-27/h1-7,25H,8-11H2,(H2,24,28)" . "CCCCC(NC(=O)CCCCC(=O)Nc1ccccc1)CCCC(=O)NO" . "CCCC[C@H](NC(=O)CCCCC(=O)Nc1ccccc1)CCCC(=O)NO" . "ZYFVLHYHXNFROE-KRWDZBQOSA-N" . "InChI=1S/C21H33N3O4/c1-2-3-10-17(13-9-16-21(27)24-28)22-19(25)14-7-8-15-20(26)23-18-11-5-4-6-12-18/h4-6,11-12,17,28H,2-3,7-10,13-16H2,1H3,(H,22,25)(H,23,26)(H,24,27)/t17-/m0/s1" . "CCC(=O)N1CCC(CC1)C(=O)NCc1ccc(cc1C(F)(F)F)OC" . "CCC(=O)N1CCC(CC1)C(=O)NCc1ccc(cc1C(F)(F)F)OC" . "IJNCJYJSEFDKFC-UHFFFAOYSA-N" . "InChI=1S/C18H23F3N2O3/c1-3-16(24)23-8-6-12(7-9-23)17(25)22-11-13-4-5-14(26-2)10-15(13)18(19,20)21/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,22,25)" . "[N-]=[N+]=NCCCOc1cc(C)c(c(c1)C)C(=O)NC(C(=O)OC(C(c1cc(OC)c(cc1[N+](=O)[O-])OC)C)C)CNC(=O)CNC(=O)c1cccc(c1)NC(=N)N" . "[N-]=[N+]=NCCCOc1cc(C)c(c(c1)C)C(=O)NC(C(=O)OC(C(c1cc(OC)c(cc1[N+](=O)[O-])OC)C)C)CNC(=O)CNC(=O)c1cccc(c1)NC(=N)N" . "CCIKYPZLPYEMFX-UHFFFAOYSA-N" . "InChI=1S/C37H46N10O10/c1-20-13-26(56-12-8-11-43-46-40)14-21(2)33(20)35(50)45-28(18-41-32(48)19-42-34(49)24-9-7-10-25(15-24)44-37(38)39)36(51)57-23(4)22(3)27-16-30(54-5)31(55-6)17-29(27)47(52)53/h7,9-10,13-17,22-23,28H,8,11-12,18-19H2,1-6H3,(H,41,48)(H,42,49)(H,45,50)(H4,38,39,44)" . "OCCn1cc(c(c1c1ccccc1C(F)(F)F)C)C(=O)Nc1ccc(cc1)S(=O)(=O)C" . "OCCn1cc(c(c1c1ccccc1C(F)(F)F)C)C(=O)Nc1ccc(cc1)S(=O)(=O)C" . "NOSNHVJANRODGR-UHFFFAOYSA-N" . "InChI=1S/C22H21F3N2O4S/c1-14-18(21(29)26-15-7-9-16(10-8-15)32(2,30)31)13-27(11-12-28)20(14)17-5-3-4-6-19(17)22(23,24)25/h3-10,13,28H,11-12H2,1-2H3,(H,26,29)" . "OB(C1CCCN1C(=O)CNC(=O)c1cccc2c1cccc2)O" . "OB([C@@H]1CCCN1C(=O)CNC(=O)c1cccc2c1cccc2)O" . "QVGIJGPVKMNEPA-HNNXBMFYSA-N" . "InChI=1S/C17H19BN2O4/c21-16(20-10-4-9-15(20)18(23)24)11-19-17(22)14-8-3-6-12-5-1-2-7-13(12)14/h1-3,5-8,15,23-24H,4,9-11H2,(H,19,22)/t15-/m0/s1" . "CC(C(C(=O)N1CCCC1B(O)O)N)C" . "CC([C@@H](C(=O)N1CCC[C@H]1B(O)O)N)C" . "FKCMADOPPWWGNZ-YUMQZZPRSA-N" . "InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1" . "ONC(=O)c1ccc(cc1)Cn1c2CN3CC(c2c2c1cccc2)C(=O)N(C3=O)C" . "ONC(=O)c1ccc(cc1)Cn1c2CN3CC(c2c2c1cccc2)C(=O)N(C3=O)C" . "ZCAIUGLOTHAUQX-UHFFFAOYSA-N" . "InChI=1S/C22H20N4O4/c1-24-21(28)16-11-25(22(24)29)12-18-19(16)15-4-2-3-5-17(15)26(18)10-13-6-8-14(9-7-13)20(27)23-30/h2-9,16,30H,10-12H2,1H3,(H,23,27)" . "Brc1ccc2c(c1)C(=NC(c1n2cnc1C(=O)O)C)c1ccccc1F" . "Brc1ccc2c(c1)C(=N[C@@H](c1n2cnc1C(=O)O)C)c1ccccc1F" . "OSBXEAZWQGBYFU-SNVBAGLBSA-N" . "InChI=1S/C19H13BrFN3O2/c1-10-18-17(19(25)26)22-9-24(18)15-7-6-11(20)8-13(15)16(23-10)12-4-2-3-5-14(12)21/h2-10H,1H3,(H,25,26)/t10-/m1/s1" . "N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CCC2N" . "N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CC[C@@H]2N" . "WGUXQKIWMYYPQI-SFHVURJKSA-N" . "InChI=1S/C21H20N4O2/c1-12(2)26-19-9-6-13(10-14(19)11-22)21-24-20(25-27-21)17-5-3-4-16-15(17)7-8-18(16)23/h3-6,9-10,12,18H,7-8,23H2,1-2H3/t18-/m0/s1" . "S=C1NC(=O)C(=Cc2ccc(c(c2)Cl)OCc2ccccc2)C(=O)N1" . "S=C1NC(=O)C(=Cc2ccc(c(c2)Cl)OCc2ccccc2)C(=O)N1" . "WJNBKDZARWFFKR-UHFFFAOYSA-N" . "InChI=1S/C18H13ClN2O3S/c19-14-9-12(8-13-16(22)20-18(25)21-17(13)23)6-7-15(14)24-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,20,21,22,23,25)" . "[O-]C(=O)C(CS(=O)(=O)O)N" . "[O-]C(=O)C(CS(=O)(=O)O)N" . "XVOYSCVBGLVSOL-UHFFFAOYSA-M" . "InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/p-1" . "O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)c(NCCOCCOCCOCCOCCC(=O)N(C1CCC3(C(C1)CCC1C3CCC3(C1CCC3c1ccc3c(c1)cncc3)C)C)C)ccc2" . "O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)c(NCCOCCOCCOCCOCCC(=O)N([C@H]1CC[C@]3(C(C1)CC[C@@H]1C3CC[C@]3([C@H]1CC[C@@H]3c1ccc3c(c1)cncc3)C)C)C)ccc2" . "JECHBTRAPARMGI-KMIZWFMDSA-N" . "InChI=1S/C53H69N5O9/c1-52-19-15-38(32-37(52)9-10-39-42-12-11-41(53(42,2)20-16-43(39)52)35-8-7-34-17-21-54-33-36(34)31-35)57(3)47(60)18-23-64-25-27-66-29-30-67-28-26-65-24-22-55-44-6-4-5-40-48(44)51(63)58(50(40)62)45-13-14-46(59)56-49(45)61/h4-8,17,21,31,33,37-39,41-43,45,55H,9-16,18-20,22-30,32H2,1-3H3,(H,56,59,61)/t37?,38-,39-,41+,42-,43?,45?,52-,53+/m0/s1" . "CN(C1CCC2(C(=CCC3C2CCC2(C3CCC2c2ccc3c(c2)cncc3)C)C1)C)C" . "CN([C@H]1CC[C@]2(C(=CC[C@@H]3C2CC[C@]2([C@H]3CC[C@@H]2c2ccc3c(c2)cncc3)C)C1)C)C" . "IWZSHWBGHQBIML-ZGGLMWTQSA-N" . "InChI=1S/C30H40N2/c1-29-14-11-24(32(3)4)18-23(29)7-8-25-27-10-9-26(30(27,2)15-12-28(25)29)21-6-5-20-13-16-31-19-22(20)17-21/h5-7,13,16-17,19,24-28H,8-12,14-15,18H2,1-4H3/t24-,25-,26+,27-,28?,29-,30+/m0/s1" . "CN(C1CC23CCC4(O2)C(=CCC2(C4CCC2c2ccc4c(c2)cncc4)C)C=C3C(C1O)O)C" . "CN([C@H]1C[C@@]23CC[C@@]4(O2)C(=CC[C@]2([C@H]4CC[C@@H]2c2ccc4c(c2)cncc4)C)C=C3[C@H]([C@@H]1O)O)C" . "KSGZCKSNTAJOJS-DZBMUNJRSA-N" . "InChI=1S/C30H36N2O3/c1-28-10-8-21-15-23-26(33)27(34)24(32(2)3)16-29(23)11-12-30(21,35-29)25(28)7-6-22(28)19-5-4-18-9-13-31-17-20(18)14-19/h4-5,8-9,13-15,17,22,24-27,33-34H,6-7,10-12,16H2,1-3H3/t22-,24+,25-,26-,27-,28-,29-,30-/m1/s1" . "CN1CCN(C(=O)C1)c1cccc2c1CCN(C2C(=O)Nc1ccc(cc1)C(=O)O)C(=O)C=Cc1c(F)c(Cl)ccc1n1cnnn1" . "CN1CCN(C(=O)C1)c1cccc2c1CCN([C@@H]2C(=O)Nc1ccc(cc1)C(=O)O)C(=O)/C=C/c1c(F)c(Cl)ccc1n1cnnn1" . "WYFCZWSWFGJODV-MIANJLSGSA-N" . "InChI=1S/C32H28ClFN8O5/c1-39-15-16-40(28(44)17-39)25-4-2-3-22-21(25)13-14-41(30(22)31(45)36-20-7-5-19(6-8-20)32(46)47)27(43)12-9-23-26(42-18-35-37-38-42)11-10-24(33)29(23)34/h2-12,18,30H,13-17H2,1H3,(H,36,45)(H,46,47)/b12-9+/t30-/m0/s1" . "O1CCC(CC1)NCC=CCN(C1CCCc2c1nccc2)CC1NCc2c(C1)cccc2" . "O1CCC(CC1)NC/C=C/CN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2" . "QPAGOTNPJABYCP-FITNPZAZSA-N" . "InChI=1S/C28H38N4O/c1-2-8-24-20-31-26(19-23(24)7-1)21-32(16-4-3-14-29-25-12-17-33-18-13-25)27-11-5-9-22-10-6-15-30-28(22)27/h1-4,6-8,10,15,25-27,29,31H,5,9,11-14,16-21H2/b4-3+/t26-,27+/m1/s1" . "NCCCCN(C1CCCc2c1nccc2)CC1NCc2c(C1)cccc2" . "NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2" . "MYCKNKHATQGHEV-YADHBBJMSA-N" . "InChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22+/m1/s1" . "CCN(c1cc2oc(cc2c(c1CC)C(=O)NCc1c(C)cc([nH]c1=O)C)C1CCN(CC1)C(C)C)C1CCOCC1" . "CCN(c1cc2oc(cc2c(c1CC)C(=O)NCc1c(C)cc([nH]c1=O)C)C1CCN(CC1)C(C)C)C1CCOCC1" . "NYWVSLBALKNFJR-UHFFFAOYSA-N" . "InChI=1S/C34H48N4O4/c1-7-26-29(38(8-2)25-11-15-41-16-12-25)19-31-27(18-30(42-31)24-9-13-37(14-10-24)21(3)4)32(26)34(40)35-20-28-22(5)17-23(6)36-33(28)39/h17-19,21,24-25H,7-16,20H2,1-6H3,(H,35,40)(H,36,39)" . "CN(CCC(c1ccc(cc1)F)Oc1cccc2c1OCO2)C" . "CN(CCC(c1ccc(cc1)F)Oc1cccc2c1OCO2)C" . "XFCIOLPMKMDDNQ-UHFFFAOYSA-N" . "InChI=1S/C18H20FNO3/c1-20(2)11-10-15(13-6-8-14(19)9-7-13)23-17-5-3-4-16-18(17)22-12-21-16/h3-9,15H,10-12H2,1-2H3" . "CCOc1cc(ccc1OCC)c1scc(n1)c1cccc(n1)C(=O)O" . "CCOc1cc(ccc1OCC)c1scc(n1)c1cccc(n1)C(=O)O" . "XDBHURGONHZNJF-UHFFFAOYSA-N" . "InChI=1S/C19H18N2O4S/c1-3-24-16-9-8-12(10-17(16)25-4-2)18-21-15(11-26-18)13-6-5-7-14(20-13)19(22)23/h5-11H,3-4H2,1-2H3,(H,22,23)" . "OC(=O)C(c1ccc(cc1)C=C1CCCCC1=O)C" . "OC(=O)C(c1ccc(cc1)/C=C/1/CCCCC1=O)C" . "AUZUGWXLBGZUPP-GXDHUFHOSA-N" . "InChI=1S/C16H18O3/c1-11(16(18)19)13-8-6-12(7-9-13)10-14-4-2-3-5-15(14)17/h6-11H,2-5H2,1H3,(H,18,19)/b14-10+" . "CC(OC(=O)CCCC1CCC2C(OC1)CC(C2C=CC(COc1cc(F)ccc1F)O)O)C" . "CC(OC(=O)CCC[C@H]1CC[C@H]2[C@@H](OC1)C[C@H]([C@@H]2/C=C/[C@H](COc1cc(F)ccc1F)O)O)C" . "BKVUSNOUTQMSBE-XCMGCKIWSA-N" . "InChI=1S/C26H36F2O6/c1-16(2)34-26(31)5-3-4-17-6-9-21-20(23(30)13-24(21)32-14-17)10-8-19(29)15-33-25-12-18(27)7-11-22(25)28/h7-8,10-12,16-17,19-21,23-24,29-30H,3-6,9,13-15H2,1-2H3/b10-8+/t17-,19+,20+,21+,23+,24-/m0/s1" . "O=C(c1cccc(c1)N=Nc1cccc(c1)OC1CC(C1)N1CCCCC1)N1CCCC1" . "O=C(c1cccc(c1)/N=N/c1cccc(c1)OC1C[C@H](C1)N1CCCCC1)N1CCCC1" . "QQXICCNAEXQIHK-JMBHWGOTSA-N" . "InChI=1S/C26H32N4O2/c31-26(30-14-4-5-15-30)20-8-6-9-21(16-20)27-28-22-10-7-11-24(17-22)32-25-18-23(19-25)29-12-2-1-3-13-29/h6-11,16-17,23,25H,1-5,12-15,18-19H2/b28-27+/t23-,25?" . "O=C(c1cccc(c1)N=Nc1cccc(c1)OCCCN1CCCCC1)N1CCCC1" . "O=C(c1cccc(c1)/N=N/c1cccc(c1)OCCCN1CCCCC1)N1CCCC1" . "AXFRZIJLVKELGM-RQZHXJHFSA-N" . "InChI=1S/C25H32N4O2/c30-25(29-16-4-5-17-29)21-9-6-10-22(19-21)26-27-23-11-7-12-24(20-23)31-18-8-15-28-13-2-1-3-14-28/h6-7,9-12,19-20H,1-5,8,13-18H2/b27-26-" . "O=C(c1ccc2c(c1)ccc(c2)OCCCN1CCCCC1)N1CCCC1" . "O=C(c1ccc2c(c1)ccc(c2)OCCCN1CCCCC1)N1CCCC1" . "KBLLVDUPDMDMON-UHFFFAOYSA-N" . "InChI=1S/C23H30N2O2/c26-23(25-14-4-5-15-25)21-8-7-20-18-22(10-9-19(20)17-21)27-16-6-13-24-11-2-1-3-12-24/h7-10,17-18H,1-6,11-16H2" . "CC(CCCC(C1CCC2C1(C)CCC1C2CCC2C1(C)CCC(C2)OC1OC(COS(=O)(=O)O)C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OC1OC(COS(=O)(=O)O)C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OC1OC(COS(=O)(=O)O)C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OC1OC(COS(=O)(=O)O)C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)C)C" . "CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@H]([C@@H]([C@H]1OS(=O)(=O)O)OS(=O)(=O)O)O[C@H]1O[C@H](COS(=O)(=O)O)[C@H]([C@@H]([C@H]1OS(=O)(=O)O)OS(=O)(=O)O)O[C@H]1O[C@H](COS(=O)(=O)O)[C@H]([C@@H]([C@H]1OS(=O)(=O)O)OS(=O)(=O)O)O[C@H]1O[C@H](COS(=O)(=O)O)[C@H]([C@@H]([C@H]1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)C)C" . "LNUFLCYMSVYYNW-ZPJMAFJPSA-N" . "InChI=1S/C51H88O60S13/c1-22(2)7-6-8-23(3)27-11-12-28-26-10-9-24-17-25(13-15-50(24,4)29(26)14-16-51(27,28)5)95-46-42(108-121(79,80)81)38(104-117(67,68)69)34(30(96-46)18-91-112(52,53)54)100-47-43(109-122(82,83)84)39(105-118(70,71)72)35(31(97-47)19-92-113(55,56)57)101-48-44(110-123(85,86)87)40(106-119(73,74)75)36(32(98-48)20-93-114(58,59)60)102-49-45(111-124(88,89)90)41(107-120(76,77)78)37(103-116(64,65)66)33(99-49)21-94-115(61,62)63/h22-49H,6-21H2,1-5H3,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)/t23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,46-,47-,48-,49-,50+,51-/m1/s1" . "CC#CC(=O)NC1CCCN(C1)c1c(F)cc(c2c1c(C)c([nH]2)C)C(=O)N" . "CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(c2c1c(C)c([nH]2)C)C(=O)N" . "VJPPLCNBDLZIFG-ZDUSSCGKSA-N" . "InChI=1S/C20H23FN4O2/c1-4-6-16(26)24-13-7-5-8-25(10-13)19-15(21)9-14(20(22)27)18-17(19)11(2)12(3)23-18/h9,13,23H,5,7-8,10H2,1-3H3,(H2,22,27)(H,24,26)/t13-/m0/s1" . "CC(C1=NCCN1)Oc1c(Cl)cccc1Cl" . "CC(C1=NCCN1)Oc1c(Cl)cccc1Cl" . "KSMAGQUYOIHWFS-UHFFFAOYSA-N" . "InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)" . "COc1ccc2c(n1)CCN(C2C(=O)Nc1cc(F)c2c(c1)CCC2(C)C)C(=O)C1CC(C1)CC(=O)O" . "COc1ccc2c(n1)CCN([C@H]2C(=O)Nc1cc(F)c2c(c1)CCC2(C)C)C(=O)[C@@H]1C[C@@H](C1)CC(=O)O" . "ICMFYVOUDGRBLG-VFHHBZAHSA-N" . "InChI=1S/C28H32FN3O5/c1-28(2)8-6-16-13-18(14-20(29)24(16)28)30-26(35)25-19-4-5-22(37-3)31-21(19)7-9-32(25)27(36)17-10-15(11-17)12-23(33)34/h4-5,13-15,17,25H,6-12H2,1-3H3,(H,30,35)(H,33,34)/t15-,17+,25-/m1/s1" . "OC(=O)C=Cc1ccc(cc1)Cn1ccnc1" . "OC(=O)/C=C/c1ccc(cc1)Cn1ccnc1" . "SHZKQBHERIJWAO-AATRIKPKSA-N" . "InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+" . "FC(Oc1ccc(c2c1oc1c2cncc1)C(=O)N=c1c(Cl)cn(cc1Cl)O)F" . "FC(Oc1ccc(c2c1oc1c2cncc1)C(=O)N=c1c(Cl)cn(cc1Cl)O)F" . "CFRXVFRHMZLQBS-UHFFFAOYSA-N" . "InChI=1S/C18H9Cl2F2N3O4/c19-10-6-25(27)7-11(20)15(10)24-17(26)8-1-2-13(29-18(21)22)16-14(8)9-5-23-4-3-12(9)28-16/h1-7,18,27H" . "OCCN1CCN(CC1)c1ccc(c(c1F)F)Nc1ncc2c(n1)c(ccc2)c1cccc(c1)NC(=O)C=C" . "OCCN1CCN(CC1)c1ccc(c(c1F)F)Nc1ncc2c(n1)c(ccc2)c1cccc(c1)NC(=O)C=C" . "IDRGFNPZDVBSSE-UHFFFAOYSA-N" . "InChI=1S/C29H28F2N6O2/c1-2-25(39)33-21-7-3-5-19(17-21)22-8-4-6-20-18-32-29(35-28(20)22)34-23-9-10-24(27(31)26(23)30)37-13-11-36(12-14-37)15-16-38/h2-10,17-18,38H,1,11-16H2,(H,33,39)(H,32,34,35)" . "C=CC(=O)Nc1cccc(c1)Oc1nc(Nc2ccc(cc2)N2CCN(CC2)C)nc2c1occ2" . "C=CC(=O)Nc1cccc(c1)Oc1nc(Nc2ccc(cc2)N2CCN(CC2)C)nc2c1occ2" . "LZMJNVRJMFMYQS-UHFFFAOYSA-N" . "InChI=1S/C26H26N6O3/c1-3-23(33)27-19-5-4-6-21(17-19)35-25-24-22(11-16-34-24)29-26(30-25)28-18-7-9-20(10-8-18)32-14-12-31(2)13-15-32/h3-11,16-17H,1,12-15H2,2H3,(H,27,33)(H,28,29,30)" . "C=CC(=O)N1CCC(CC1)[C@@H]1CCNc2n1nc(c2C(=O)N)c1ccc(cc1)Oc1ccccc1" . "C=CC(=O)N1CCC(CC1)[C@@H]1CCNc2n1nc(c2C(=O)N)c1ccc(cc1)Oc1ccccc1" . "RNOAOAWBMHREKO-QFIPXVFZSA-N" . "InChI=1S/C27H29N5O3/c1-2-23(33)31-16-13-18(14-17-31)22-12-15-29-27-24(26(28)34)25(30-32(22)27)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h2-11,18,22,29H,1,12-17H2,(H2,28,34)/t22-/m0/s1" . "COc1cccc(c1)c1ccc(c(c1)F)NC(=O)C1=C(CCC1)C(=O)O" . "COc1cccc(c1)c1ccc(c(c1)F)NC(=O)C1=C(CCC1)C(=O)O" . "XPRDUGXOWVXZLL-UHFFFAOYSA-N" . "InChI=1S/C20H18FNO4/c1-26-14-5-2-4-12(10-14)13-8-9-18(17(21)11-13)22-19(23)15-6-3-7-16(15)20(24)25/h2,4-5,8-11H,3,6-7H2,1H3,(H,22,23)(H,24,25)" . "FC(Oc1ccc(cc1)c1ccc2n(c1)c(nn2)C(F)(F)F)(F)F" . "FC(Oc1ccc(cc1)c1ccc2n(c1)c(nn2)C(F)(F)F)(F)F" . "FEVBKJITJDHASC-UHFFFAOYSA-N" . "InChI=1S/C14H7F6N3O/c15-13(16,17)12-22-21-11-6-3-9(7-23(11)12)8-1-4-10(5-2-8)24-14(18,19)20/h1-7H" . "Fc1cc(C(=O)N)c2c(c1c1cccc(c1C)n1c(=O)c3cccc(c3n(c1=O)C)F)c1CCC(Cc1[nH]2)C(O)(C)C" . "Fc1cc(C(=O)N)c2c(c1c1cccc(c1C)n1c(=O)c3cccc(c3n(c1=O)C)F)c1CC[C@@H](Cc1[nH]2)C(O)(C)C" . "ZRYMMWAJAFUANM-INIZCTEOSA-N" . "InChI=1S/C32H30F2N4O4/c1-15-17(7-6-10-24(15)38-30(40)19-8-5-9-21(33)28(19)37(4)31(38)41)25-22(34)14-20(29(35)39)27-26(25)18-12-11-16(32(2,3)42)13-23(18)36-27/h5-10,14,16,36,42H,11-13H2,1-4H3,(H2,35,39)/t16-/m0/s1" . "CN(CCNC(=O)Cn1c2ccc(cc2c2c1nc1cc(C)c(cc1n2)C)Cl)C" . "CN(CCNC(=O)Cn1c2ccc(cc2c2c1nc1cc(C)c(cc1n2)C)Cl)C" . "PDNNUMNEXITLCZ-UHFFFAOYSA-N" . "InChI=1S/C22H24ClN5O/c1-13-9-17-18(10-14(13)2)26-22-21(25-17)16-11-15(23)5-6-19(16)28(22)12-20(29)24-7-8-27(3)4/h5-6,9-11H,7-8,12H2,1-4H3,(H,24,29)" . "N#CC1(CC1)NC(=O)C1CC(CN1C(=O)C1(CC1)C(F)(F)F)S(=O)(=O)c1ccc(cc1C(F)(F)F)c1cnn(c1)C" . "N#CC1(CC1)NC(=O)[C@@H]1C[C@H](CN1C(=O)C1(CC1)C(F)(F)F)S(=O)(=O)c1ccc(cc1C(F)(F)F)c1cnn(c1)C" . "KXAAIORSMACJSI-AEFFLSMTSA-N" . "InChI=1S/C25H23F6N5O4S/c1-35-11-15(10-33-35)14-2-3-19(17(8-14)24(26,27)28)41(39,40)16-9-18(20(37)34-22(13-32)4-5-22)36(12-16)21(38)23(6-7-23)25(29,30)31/h2-3,8,10-11,16,18H,4-7,9,12H2,1H3,(H,34,37)/t16-,18+/m1/s1" . "[O-][n+]1cccc(c1)C#Cc1cccc(c1)n1cc(C(=O)NC2CC2)c(=O)c2c1nccc2" . "[O-][n+]1cccc(c1)C#Cc1cccc(c1)n1cc(C(=O)NC2CC2)c(=O)c2c1nccc2" . "JJWKQXNHYDJXKF-UHFFFAOYSA-N" . "InChI=1S/C25H18N4O3/c30-23-21-7-2-12-26-24(21)29(16-22(23)25(31)27-19-10-11-19)20-6-1-4-17(14-20)8-9-18-5-3-13-28(32)15-18/h1-7,12-16,19H,10-11H2,(H,27,31)" . "Cc1noc(n1)C(=Cc1cccc(c1)c1cc(cc2c1nccc2)C(S(=O)(=O)C)(C)C)c1ccc(cc1)S(=O)(=O)C" . "Cc1noc(n1)/C(=C/c1cccc(c1)c1cc(cc2c1nccc2)C(S(=O)(=O)C)(C)C)/c1ccc(cc1)S(=O)(=O)C" . "YYGZHVJDHMMABU-OGLMXYFKSA-N" . "InChI=1S/C31H29N3O5S2/c1-20-33-30(39-34-20)28(22-11-13-26(14-12-22)40(4,35)36)17-21-8-6-9-23(16-21)27-19-25(31(2,3)41(5,37)38)18-24-10-7-15-32-29(24)27/h6-19H,1-5H3/b28-17+" . "CC(=c1[nH]c(c[nH]1)C(C(C(CO)O)O)O)N=O" . "C/C(=c/1/[nH]c(c[nH]1)[C@H]([C@@H]([C@@H](CO)O)O)O)/N=O" . "CGJLPLVZAAEKTK-LIVYHJONSA-N" . "InChI=1S/C9H15N3O5/c1-4(12-17)9-10-2-5(11-9)7(15)8(16)6(14)3-13/h2,6-8,10-11,13-16H,3H2,1H3/b9-4+/t6-,7-,8-/m1/s1" . "CCOc1ccc(cc1)c1nn2c(c1c1ccc(cc1)S(=O)(=O)C)cccn2" . "CCOc1ccc(cc1)c1nn2c(c1c1ccc(cc1)S(=O)(=O)C)cccn2" . "NXMZBNYLCVTRGB-UHFFFAOYSA-N" . "InChI=1S/C21H19N3O3S/c1-3-27-17-10-6-16(7-11-17)21-20(19-5-4-14-22-24(19)23-21)15-8-12-18(13-9-15)28(2,25)26/h4-14H,3H2,1-2H3" . "CC(=NCCSCCC(C(=O)O)N)N" . "CC(=NCCSCC[C@@H](C(=O)O)N)N" . "MOLOJNHYNHBPCW-ZETCQYMHSA-N" . "InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1" . "NC(=O)c1occ(c1)c1cnc(c2n1ncn2)Nc1ccc(cc1)N1CCN(CC1)C(C)(C)C" . "NC(=O)c1occ(c1)c1cnc(c2n1ncn2)Nc1ccc(cc1)N1CCN(CC1)C(C)(C)C" . "DLGZLIXYVSQGOX-UHFFFAOYSA-N" . "InChI=1S/C24H28N8O2/c1-24(2,3)31-10-8-30(9-11-31)18-6-4-17(5-7-18)29-22-23-27-15-28-32(23)19(13-26-22)16-12-20(21(25)33)34-14-16/h4-7,12-15H,8-11H2,1-3H3,(H2,25,33)(H,26,29)" . "O=C(C1CC2(CCN1Cc1ccc(cc1)C(F)(F)F)CC2)NC1(CC1)c1ccc(cc1)C(=O)O" . "O=C([C@H]1CC2(CCN1Cc1ccc(cc1)C(F)(F)F)CC2)NC1(CC1)c1ccc(cc1)C(=O)O" . "CADWTPLFEZSAHM-OAQYLSRUSA-N" . "InChI=1S/C26H27F3N2O3/c27-26(28,29)20-5-1-17(2-6-20)16-31-14-13-24(9-10-24)15-21(31)22(32)30-25(11-12-25)19-7-3-18(4-8-19)23(33)34/h1-8,21H,9-16H2,(H,30,32)(H,33,34)/t21-/m1/s1" . "OC(=O)C(NC(=O)c1ccc(cc1)CCc1ccc2c(c1)c(N)nc(n2)N)CC(=C)C(=O)O" . "OC(=O)[C@@H](NC(=O)c1ccc(cc1)CCc1ccc2c(c1)c(N)nc(n2)N)CC(=C)C(=O)O" . "NAWXUBYGYWOOIX-SFHVURJKSA-N" . "InChI=1S/C23H23N5O5/c1-12(21(30)31)10-18(22(32)33)26-20(29)15-7-4-13(5-8-15)2-3-14-6-9-17-16(11-14)19(24)28-23(25)27-17/h4-9,11,18H,1-3,10H2,(H,26,29)(H,30,31)(H,32,33)(H4,24,25,27,28)/t18-/m0/s1" . "OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O)O)n1cc(C)c(=O)[nH]c1=O)O)n1cnc2c1nc(N)[nH]c2=O)O)n1ccc(nc1=O)N)O)n1cc(C)c(=O)[nH]c1=O)O)n1cnc2c1nc(N)[nH]c2=O)O)n1cc(C)c(nc1=O)N)O)n1cc(C)c(nc1=O)N)O)n1cc(C)c(nc1=O)N)O)n1cc(C)c(nc1=O)N)O)n1cnc2c1nc(N)[nH]c2=O)O)n1ccc(nc1=O)N)O)n1cc(C)c(=O)[nH]c1=O)O)n1cnc2c1nc(N)[nH]c2=O)O)n1cc(C)c(=O)[nH]c1=O)O)n1cc(C)c(=O)[nH]c1=O)O)n1cc(C)c(nc1=O)N)O)n1cc(C)c(nc1=O)N)O)n1cnc(c1C)C(=O)NC(=C)N)O)n1ccc(nc1=O)N)O)n1cc(C)c(=O)[nH]c1=O)O)n1cnc2c1nc(N)[nH]c2=O)O)n1ccc(nc1=O)N)O)n1cc(C)c(=O)[nH]c1=O" . "OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1OP(=S)(OCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O)O)n1cc(C)c(=O)[nH]c1=O)O)n1cnc2c1nc(N)[nH]c2=O)O)n1ccc(nc1=O)N)O)n1cc(C)c(=O)[nH]c1=O)O)n1cnc2c1nc(N)[nH]c2=O)O)n1cc(C)c(nc1=O)N)O)n1cc(C)c(nc1=O)N)O)n1cc(C)c(nc1=O)N)O)n1cc(C)c(nc1=O)N)O)n1cnc2c1nc(N)[nH]c2=O)O)n1ccc(nc1=O)N)O)n1cc(C)c(=O)[nH]c1=O)O)n1cnc2c1nc(N)[nH]c2=O)O)n1cc(C)c(=O)[nH]c1=O)O)n1cc(C)c(=O)[nH]c1=O)O)n1cc(C)c(nc1=O)N)O)n1cc(C)c(nc1=O)N)O)n1cnc(c1C)C(=O)NC(=C)N)O)n1ccc(nc1=O)N)O)n1cc(C)c(=O)[nH]c1=O)O)n1cnc2c1nc(N)[nH]c2=O)O)n1ccc(nc1=O)N)O)n1cc(C)c(=O)[nH]c1=O" . "GUVMFDICMFQHSZ-UHFFFAOYSA-N" . "Ic1ccc(cc1)N(C(=O)C1CCCN1C(=O)C(C(C)(C)C)NC(=O)C=C(c1ccc(cc1)OP(=O)(O)O)C)c1ccccc1" . "Ic1ccc(cc1)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)(C)C)NC(=O)/C=C(/c1ccc(cc1)OP(=O)(O)O)/C)c1ccccc1" . "CGLGRSOJPUXNFA-YVXBOAIISA-N" . "InChI=1S/C33H37IN3O7P/c1-22(23-12-18-27(19-13-23)44-45(41,42)43)21-29(38)35-30(33(2,3)4)32(40)36-20-8-11-28(36)31(39)37(25-9-6-5-7-10-25)26-16-14-24(34)15-17-26/h5-7,9-10,12-19,21,28,30H,8,11,20H2,1-4H3,(H,35,38)(H2,41,42,43)/b22-21+/t28-,30+/m0/s1" . "Fc1ccc(cc1)n1c(C)ccc(c1=O)C(=O)Nc1ccc(c(c1)F)Oc1cc2cnn(c2cc1c1c[nH]nc1)C" . "Fc1ccc(cc1)n1c(C)ccc(c1=O)C(=O)Nc1ccc(c(c1)F)Oc1cc2cnn(c2cc1c1c[nH]nc1)C" . "QHADVLVFMKEIIP-UHFFFAOYSA-N" . "InChI=1S/C30H22F2N6O3/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19/h3-16H,1-2H3,(H,33,34)(H,36,39)" . "OCCN(c1ccccc1)C(=O)Nc1ccc(cc1)c1ncnc2c1c(C)c[nH]2" . "OCCN(c1ccccc1)C(=O)Nc1ccc(cc1)c1ncnc2c1c(C)c[nH]2" . "WQAGVQVBDHOHRD-UHFFFAOYSA-N" . "InChI=1S/C22H21N5O2/c1-15-13-23-21-19(15)20(24-14-25-21)16-7-9-17(10-8-16)26-22(29)27(11-12-28)18-5-3-2-4-6-18/h2-10,13-14,28H,11-12H2,1H3,(H,26,29)(H,23,24,25)" . "O=C(C(C)C)Nc1ncc(s1)c1cc(nn1c1c(Cl)cccc1Cl)C(F)F" . "O=C(C(C)C)Nc1ncc(s1)c1cc(nn1c1c(Cl)cccc1Cl)C(F)F" . "IVUGBSGLHRJSSP-UHFFFAOYSA-N" . "InChI=1S/C17H14Cl2F2N4OS/c1-8(2)16(26)23-17-22-7-13(27-17)12-6-11(15(20)21)24-25(12)14-9(18)4-3-5-10(14)19/h3-8,15H,1-2H3,(H,22,23,26)" . "CC(=CC(C(=O)O)N)CP(=O)(O)O" . "C/C(=C/C(C(=O)O)N)/CP(=O)(O)O" . "BDYHNCZIGYIOGJ-DUXPYHPUSA-N" . "InChI=1S/C6H12NO5P/c1-4(3-13(10,11)12)2-5(7)6(8)9/h2,5H,3,7H2,1H3,(H,8,9)(H2,10,11,12)/b4-2+" . "O=C(NCc1ccccc1)CNC(=O)C1Cc2ccccc2CN1C(=O)C(Cc1c(C)cc(cc1C)O)N" . "O=C(NCc1ccccc1)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](Cc1c(C)cc(cc1C)O)N" . "SYOVEDOWOXNOJG-SVBPBHIXSA-N" . "InChI=1S/C30H34N4O4/c1-19-12-24(35)13-20(2)25(19)15-26(31)30(38)34-18-23-11-7-6-10-22(23)14-27(34)29(37)33-17-28(36)32-16-21-8-4-3-5-9-21/h3-13,26-27,35H,14-18,31H2,1-2H3,(H,32,36)(H,33,37)/t26-,27-/m0/s1" . "CCNC(=O)Nc1ccc(cc1)c1nc(N2CCOCC2C)c2c(n1)C(C)(C)S(=C)(=C)C2" . "CCNC(=O)Nc1ccc(cc1)c1nc(N2CCOC[C@@H]2C)c2c(n1)C(C)(C)S(=C)(=C)C2" . "AQEVFCKBHLCDIP-INIZCTEOSA-N" . "InChI=1S/C24H33N5O2S/c1-7-25-23(30)26-18-10-8-17(9-11-18)21-27-20-19(15-32(5,6)24(20,3)4)22(28-21)29-12-13-31-14-16(29)2/h8-11,16H,5-7,12-15H2,1-4H3,(H2,25,26,30)/t16-/m0/s1" . "OC1CCC(CC1)Nc1ncc2c(n1)n(C1COCC1)c(n2)Nc1c(F)cc(cc1F)F" . "OC1CCC(CC1)Nc1ncc2c(n1)n([C@@H]1COCC1)c(n2)Nc1c(F)cc(cc1F)F" . "IBGLGMOPHJQDJB-MOKVOYLWSA-N" . "InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12?,13-,14?/m0/s1" . "CC(=CCOP(=O)(NC(C(=O)OCc1ccccc1)C)Oc1ccccc1)CO[Si](C(C)(C)C)(C)C" . "C/C(=C/COP(=O)(N[C@H](C(=O)OCc1ccccc1)C)Oc1ccccc1)/CO[Si](C(C)(C)C)(C)C" . "OAOYKSGPQULCDH-WHZCJLAPSA-N" . "InChI=1S/C27H40NO6PSi/c1-22(20-33-36(6,7)27(3,4)5)18-19-32-35(30,34-25-16-12-9-13-17-25)28-23(2)26(29)31-21-24-14-10-8-11-15-24/h8-18,23H,19-21H2,1-7H3,(H,28,30)/b22-18+/t23-,35?/m0/s1" . "CCc1cccc2c1oc(c2)C(CNC(C)(C)C)O" . "CCc1cccc2c1oc(c2)C(CNC(C)(C)C)O" . "SSEBTPPFLLCUMN-UHFFFAOYSA-N" . "InChI=1S/C16H23NO2/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4/h6-9,13,17-18H,5,10H2,1-4H3" . "FCC1OCC2(C1CSC(=N2)N)c1cc(ccc1F)NC(=O)c1cnc(cn1)OC" . "[18F]CC1OCC2(C1CSC(=N2)N)c1cc(ccc1F)NC(=O)c1cnc(cn1)OC" . "YZXTXNWZTAVDKH-LRFGSCOBSA-N" . "InChI=1S/C19H19F2N5O3S/c1-28-16-7-23-14(6-24-16)17(27)25-10-2-3-13(21)11(4-10)19-9-29-15(5-20)12(19)8-30-18(22)26-19/h2-4,6-7,12,15H,5,8-9H2,1H3,(H2,22,26)(H,25,27)/i20-1" . "FCC1OCC2(C1CSC(=N2)N)c1cc(ccc1F)NC(=O)c1cnc(cn1)OC" . "FC[C@H]1OC[C@]2([C@@H]1CSC(=N2)N)c1cc(ccc1F)NC(=O)c1cnc(cn1)OC" . "YZXTXNWZTAVDKH-KPAZRMRSSA-N" . "InChI=1S/C19H19F2N5O3S/c1-28-16-7-23-14(6-24-16)17(27)25-10-2-3-13(21)11(4-10)19-9-29-15(5-20)12(19)8-30-18(22)26-19/h2-4,6-7,12,15H,5,8-9H2,1H3,(H2,22,26)(H,25,27)/t12-,15-,19-/m1/s1" . "OC(=O)C1(O)SCC(SC1)(O)C(=O)O" . "OC(=O)C1(O)SCC(SC1)(O)C(=O)O" . "GYZMXMSJOZUNEQ-UHFFFAOYSA-N" . "InChI=1S/C6H8O6S2/c7-3(8)5(11)1-13-6(12,2-14-5)4(9)10/h11-12H,1-2H2,(H,7,8)(H,9,10)" . "COC1CC(C)CC2=C(OC)C(=O)C=C(C2=O)NC(=O)C(=CC=CC(C(C(=CC(C1O)C)C)OC(=O)N)OC)C" . "CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(C2=O)NC(=O)/C(=C/C=C/[C@@H]([C@H](/C(=C/[C@@H]([C@H]1O)C)/C)OC(=O)N)OC)/C" . "QTQAWLPCGQOSGP-KSRBKZBZSA-N" . "InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1" . "COC1CC(C)CC2=C(NCCN(C)C)C(=O)C=C(C2=O)NC(=O)C(=CC=CC(C(C(=CC(C1O)C)C)OC(=O)N)OC)C" . "CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(C2=O)NC(=O)/C(=C/C=C/[C@@H]([C@H](/C(=C/[C@@H]([C@H]1O)C)/C)OC(=O)N)OC)/C" . "KUFRQPKVAWMTJO-LMZWQJSESA-N" . "InChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1" . "C=CCNc1c(O)cc2c(c1CC(C)CC(OC)C(O)C(C)C=C(C)C(C(C=CC=C(C(=O)N2)C)OC)OC(=O)N)O.Cl" . "C=CCNc1c(O)cc2c(c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(/C)/[C@@H]([C@H](/C=C/C=C(/C(=O)N2)/C)OC)OC(=O)N)O.Cl" . "OIRUWDYJGMHDHJ-AFXVCOSJSA-N" . "InChI=1S/C31H45N3O8.ClH/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35;/h8-11,15-17,19,24-25,27,29,33,35-37H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38);1H/b11-9-,18-10+,20-15+;/t17-,19+,24+,25+,27-,29+;/m1./s1" . "COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC" . "COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC" . "TWUSDDMONZULSC-UHFFFAOYSA-N" . "InChI=1S/C15H25NO3/c1-10(16-15(2,3)4)14(17)12-9-11(18-5)7-8-13(12)19-6/h7-10,14,16-17H,1-6H3" . "O=C1NC(=O)C(=Cc2ccc3c(c2)c(ccn3)c2ccncc2)S1" . "O=C1NC(=O)/C(=C/c2ccc3c(c2)c(ccn3)c2ccncc2)/S1" . "QDITZBLZQQZVEE-YBEGLDIGSA-N" . "InChI=1S/C18H11N3O2S/c22-17-16(24-18(23)21-17)10-11-1-2-15-14(9-11)13(5-8-20-15)12-3-6-19-7-4-12/h1-10H,(H,21,22,23)/b16-10-" . "COc1ccccc1N1CCN(CC1)CCNC(=O)c1ccccn1" . "COc1ccccc1N1CCN(CC1)CCNC(=O)c1ccccn1" . "ARQDTTRYUMUINH-UHFFFAOYSA-N" . "InChI=1S/C19H24N4O2/c1-25-18-8-3-2-7-17(18)23-14-12-22(13-15-23)11-10-21-19(24)16-6-4-5-9-20-16/h2-9H,10-15H2,1H3,(H,21,24)" . "OCC(COc1c(C)cc(cc1CC)c1noc(n1)c1cc(OC)nc(c1)C1CCCC1)O" . "OC[C@@H](COc1c(C)cc(cc1CC)c1noc(n1)c1cc(OC)nc(c1)C1CCCC1)O" . "KJKKMMMRWISKRF-FQEVSTJZSA-N" . "InChI=1S/C25H31N3O5/c1-4-16-10-18(9-15(2)23(16)32-14-20(30)13-29)24-27-25(33-28-24)19-11-21(17-7-5-6-8-17)26-22(12-19)31-3/h9-12,17,20,29-30H,4-8,13-14H2,1-3H3/t20-/m0/s1" . "Oc1cc2ccccc2c2c1cccc2" . "Oc1cc2ccccc2c2c1cccc2" . "DZKIUEHLEXLYKM-UHFFFAOYSA-N" . "InChI=1S/C14H10O/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,15H" . "N#Cc1cnc(c(c1)C)C(=O)Nc1ccc(c(c1)C1(C)COC(C(=N1)N)(C)C(F)(F)F)F" . "N#Cc1cnc(c(c1)C)C(=O)Nc1ccc(c(c1)[C@]1(C)CO[C@@](C(=N1)N)(C)C(F)(F)F)F" . "BQFHTVUWPJXLOW-VQTJNVASSA-N" . "InChI=1S/C21H19F4N5O2/c1-11-6-12(8-26)9-28-16(11)17(31)29-13-4-5-15(22)14(7-13)19(2)10-32-20(3,18(27)30-19)21(23,24)25/h4-7,9H,10H2,1-3H3,(H2,27,30)(H,29,31)/t19-,20+/m0/s1" . "N#Cc1ccc(nc1)C(=O)Nc1ccc(c(c1)C1(C)N=C(N)OCC1(F)F)F" . "N#Cc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@@]1(C)N=C(N)OCC1(F)F)F" . "DVMUZHLUMHPCGZ-QGZVFWFLSA-N" . "InChI=1S/C18H14F3N5O2/c1-17(18(20,21)9-28-16(23)26-17)12-6-11(3-4-13(12)19)25-15(27)14-5-2-10(7-22)8-24-14/h2-6,8H,9H2,1H3,(H2,23,26)(H,25,27)/t17-/m1/s1" . "CCCC(P(=O)(Oc1ccc(cc1)Cl)Oc1ccc(cc1)Cl)NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)CCCCC1SCC2C1NC(=O)N2)Cc1ccc(cc1)O)CC(=O)O" . "CCCC(P(=O)(Oc1ccc(cc1)Cl)Oc1ccc(cc1)Cl)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)CCCCC1SC[C@H]2[C@@H]1NC(=O)N2)Cc1ccc(cc1)O)CC(=O)O" . "QFLWZFQWSBQYPS-AWRAUJHKSA-N" . "InChI=1S/C44H55Cl2N6O11PS/c1-4-7-37(64(61,62-30-18-12-27(45)13-19-30)63-31-20-14-28(46)15-21-31)51-42(58)33(23-38(55)56)47-41(57)32(22-26-10-16-29(53)17-11-26)48-43(59)39(25(2)3)50-36(54)9-6-5-8-35-40-34(24-65-35)49-44(60)52-40/h10-21,25,32-35,37,39-40,53H,4-9,22-24H2,1-3H3,(H,47,57)(H,48,59)(H,50,54)(H,51,58)(H,55,56)(H2,49,52,60)/t32-,33-,34-,35?,37?,39-,40-/m0/s1" . "CC1OCC2(C1CSC(=N2)N)c1cc(ccc1F)NC(=O)c1cnc(cn1)C(F)F" . "C[C@H]1OC[C@]2([C@@H]1CSC(=N2)N)c1cc(ccc1F)NC(=O)c1cnc(cn1)C(F)F" . "AACUJFVOHGRMTR-DPXNYUHVSA-N" . "InChI=1S/C19H18F3N5O2S/c1-9-12-7-30-18(23)27-19(12,8-29-9)11-4-10(2-3-13(11)20)26-17(28)15-6-24-14(5-25-15)16(21)22/h2-6,9,12,16H,7-8H2,1H3,(H2,23,27)(H,26,28)/t9-,12-,19-/m1/s1" . "Clc1cccc(c1CSc1nnc(s1)c1cnccn1)Cl" . "Clc1cccc(c1CSc1nnc(s1)c1cnccn1)Cl" . "BQNXBSYSQXSXPT-UHFFFAOYSA-N" . "InChI=1S/C13H8Cl2N4S2/c14-9-2-1-3-10(15)8(9)7-20-13-19-18-12(21-13)11-6-16-4-5-17-11/h1-6H,7H2" . "O=C(Nc1cc(nn1c1ccccc1)C(C)(C)C)Nc1ccc(cc1F)Oc1ccnc2c1ncc(=O)[nH]2" . "O=C(Nc1cc(nn1c1ccccc1)C(C)(C)C)Nc1ccc(cc1F)Oc1ccnc2c1ncc(=O)[nH]2" . "KYYKGSDLXXKQCR-UHFFFAOYSA-N" . "InChI=1S/C27H24FN7O3/c1-27(2,3)21-14-22(35(34-21)16-7-5-4-6-8-16)32-26(37)31-19-10-9-17(13-18(19)28)38-20-11-12-29-25-24(20)30-15-23(36)33-25/h4-15H,1-3H3,(H,29,33,36)(H2,31,32,37)" . "CSc1cc(ccc1NC(=O)Nc1cc(nn1c1ccccc1)C(C)(C)C)Oc1ccnc2c1ncc(=O)[nH]2" . "CSc1cc(ccc1NC(=O)Nc1cc(nn1c1ccccc1)C(C)(C)C)Oc1ccnc2c1ncc(=O)[nH]2" . "DPMYVVGAYAPQNS-UHFFFAOYSA-N" . "InChI=1S/C28H27N7O3S/c1-28(2,3)22-15-23(35(34-22)17-8-6-5-7-9-17)32-27(37)31-19-11-10-18(14-21(19)39-4)38-20-12-13-29-26-25(20)30-16-24(36)33-26/h5-16H,1-4H3,(H,29,33,36)(H2,31,32,37)" . "C1CCC(C1)c1[nH]c2c(n1)nc(nc2c1ccccc1)c1ccccc1" . "C1CCC(C1)c1[nH]c2c(n1)nc(nc2c1ccccc1)c1ccccc1" . "NDJOQVVSPLVIDN-UHFFFAOYSA-N" . "InChI=1S/C22H20N4/c1-3-9-15(10-4-1)18-19-22(26-21(24-19)17-13-7-8-14-17)25-20(23-18)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2,(H,23,24,25,26)" . "CC(C(C(c1ccccc1)Oc1ccc2c(c1)cnn2c1ccc(=O)n(c1)C)NC(=O)C(F)(F)C)C" . "CC([C@@H]([C@@H](c1ccccc1)Oc1ccc2c(c1)cnn2c1ccc(=O)n(c1)C)NC(=O)C(F)(F)C)C" . "ZQFNDBISEYQVRR-LOSJGSFVSA-N" . "InChI=1S/C27H28F2N4O3/c1-17(2)24(31-26(35)27(3,28)29)25(18-8-6-5-7-9-18)36-21-11-12-22-19(14-21)15-30-33(22)20-10-13-23(34)32(4)16-20/h5-17,24-25H,1-4H3,(H,31,35)/t24-,25+/m0/s1" . "COc1nc(sc1C(=O)N)c1ccnc(c1)NC(=O)C1CC1" . "COc1nc(sc1C(=O)N)c1ccnc(c1)NC(=O)C1CC1" . "CYADPSMQNARVII-UHFFFAOYSA-N" . "InChI=1S/C14H14N4O3S/c1-21-13-10(11(15)19)22-14(18-13)8-4-5-16-9(6-8)17-12(20)7-2-3-7/h4-7H,2-3H2,1H3,(H2,15,19)(H,16,17,20)" . "COc1nc(sc1C(=O)NCCCNc1c2CCCCc2nc2c1cccc2)c1ccnc(c1)NC(=O)C1CC1" . "COc1nc(sc1C(=O)NCCCNc1c2CCCCc2nc2c1cccc2)c1ccnc(c1)NC(=O)C1CC1" . "XYSJVXMQSXKJCN-UHFFFAOYSA-N" . "InChI=1S/C30H32N6O3S/c1-39-29-26(40-30(36-29)19-13-16-31-24(17-19)35-27(37)18-11-12-18)28(38)33-15-6-14-32-25-20-7-2-4-9-22(20)34-23-10-5-3-8-21(23)25/h2,4,7,9,13,16-18H,3,5-6,8,10-12,14-15H2,1H3,(H,32,34)(H,33,38)(H,31,35,37)" . "OCCNC(=O)c1c(C)nn(c1CO)c1cccc2c1sc(c2)Cc1cccc(c1)C(F)(F)F" . "OCCNC(=O)c1c(C)nn(c1CO)c1cccc2c1sc(c2)Cc1cccc(c1)C(F)(F)F" . "VJMRKWPMFQGIPI-UHFFFAOYSA-N" . "InChI=1S/C24H22F3N3O3S/c1-14-21(23(33)28-8-9-31)20(13-32)30(29-14)19-7-3-5-16-12-18(34-22(16)19)11-15-4-2-6-17(10-15)24(25,26)27/h2-7,10,12,31-32H,8-9,11,13H2,1H3,(H,28,33)" . "[O-][n+]1cccc(c1)c1nc2c(cc1C(C(F)(F)F)Nc1ncnc3c1nccc3)cccc2Cl" . "[O-][n+]1cccc(c1)c1nc2c(cc1[C@H](C(F)(F)F)Nc1ncnc3c1nccc3)cccc2Cl" . "LNLJHGXOFYUARS-OAQYLSRUSA-N" . "InChI=1S/C23H14ClF3N6O/c24-16-6-1-4-13-10-15(18(31-19(13)16)14-5-3-9-33(34)11-14)21(23(25,26)27)32-22-20-17(29-12-30-22)7-2-8-28-20/h1-12,21H,(H,29,30,32)/t21-/m1/s1" . "COc1ccc(c(c1)S(=O)(=O)c1ccc(cc1)OC)S(=O)(=O)c1ccc(cc1)C(NS(=O)(=O)C)C" . "COc1ccc(c(c1)S(=O)(=O)c1ccc(cc1)OC)S(=O)(=O)c1ccc(cc1)[C@@H](NS(=O)(=O)C)C" . "NXODIUKWAVUFGF-INIZCTEOSA-N" . "InChI=1S/C23H25NO8S3/c1-16(24-33(4,25)26)17-5-10-20(11-6-17)34(27,28)22-14-9-19(32-3)15-23(22)35(29,30)21-12-7-18(31-2)8-13-21/h5-16,24H,1-4H3/t16-/m0/s1" . "COc1cc(ccc1c1cc(ccc1F)c1cnnc2c1ncn2CC)S(=O)(=O)CC" . "COc1cc(ccc1c1cc(ccc1F)c1cnnc2c1ncn2CC)S(=O)(=O)CC" . "PTTQXDBPTFOCMT-UHFFFAOYSA-N" . "InChI=1S/C22H21FN4O3S/c1-4-27-13-24-21-18(12-25-26-22(21)27)14-6-9-19(23)17(10-14)16-8-7-15(11-20(16)30-3)31(28,29)5-2/h6-13H,4-5H2,1-3H3" . "N#Cc1cc(ccc1Oc1ccc(c(c1)C(F)(F)F)Cl)NS(=O)(=O)c1ccc(cc1)N" . "N#Cc1cc(ccc1Oc1ccc(c(c1)C(F)(F)F)Cl)NS(=O)(=O)c1ccc(cc1)N" . "GADGQEKPNKSGMT-UHFFFAOYSA-N" . "InChI=1S/C20H13ClF3N3O3S/c21-18-7-4-15(10-17(18)20(22,23)24)30-19-8-3-14(9-12(19)11-25)27-31(28,29)16-5-1-13(26)2-6-16/h1-10,27H,26H2" . "N#Cc1cc(OCCN2CC(CC2=O)C2(C)CCS(=O)(=O)CC2)ccc1F" . "N#Cc1cc(OCCN2C[C@@H](CC2=O)C2(C)CCS(=O)(=O)CC2)ccc1F" . "SYEMWCXBADSSGE-OAHLLOKOSA-N" . "InChI=1S/C19H23FN2O4S/c1-19(4-8-27(24,25)9-5-19)15-11-18(23)22(13-15)6-7-26-16-2-3-17(20)14(10-16)12-21/h2-3,10,15H,4-9,11,13H2,1H3/t15-/m1/s1" . "Cc1cccc(c1)c1ccnc2n1ncc2C(=O)N" . "Cc1cccc(c1)c1ccnc2n1ncc2C(=O)N" . "HNKGGVGQAVODNJ-UHFFFAOYSA-N" . "InChI=1S/C14H12N4O/c1-9-3-2-4-10(7-9)12-5-6-16-14-11(13(15)19)8-17-18(12)14/h2-8H,1H3,(H2,15,19)" . "CCCCCC=CC(=O)CCc1ccc(c(c1)OC)O" . "CCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O" . "OQWKEEOHDMUXEO-BQYQJAHWSA-N" . "InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+" . "CCC(c1ccc(c(c1)N)C(=O)O)NC(=O)N1CC(=NOc2ccccc2)NCC(C1=O)Cc1cc(Cl)ccc1OC" . "CC[C@H](c1ccc(c(c1)N)C(=O)O)NC(=O)N1C/C(=N/Oc2ccccc2)/NC[C@H](C1=O)Cc1cc(Cl)ccc1OC" . "LHASZEBEQGPCFM-CJFMBICVSA-N" . "InChI=1S/C30H32ClN5O6/c1-3-25(18-9-11-23(29(38)39)24(32)15-18)34-30(40)36-17-27(35-42-22-7-5-4-6-8-22)33-16-20(28(36)37)13-19-14-21(31)10-12-26(19)41-2/h4-12,14-15,20,25H,3,13,16-17,32H2,1-2H3,(H,33,35)(H,34,40)(H,38,39)/t20-,25-/m1/s1" . "CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)C#Cc1nnc2n1cccc2)C" . "CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)C#Cc1nnc2n1cccc2)C" . "SLIVDYMORZGPLW-UHFFFAOYSA-N" . "InChI=1S/C29H27F3N6O/c1-20-6-7-22(17-21(20)9-11-27-35-34-26-5-3-4-12-38(26)27)28(39)33-24-10-8-23(25(18-24)29(30,31)32)19-37-15-13-36(2)14-16-37/h3-8,10,12,17-18H,13-16,19H2,1-2H3,(H,33,39)" . "O=C(N1CC2C(C1)C2CNC(=O)c1ccc2c(c1)nn[nH]2)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "O=C(N1C[C@@H]2[C@H](C1)[C@@H]2CNC(=O)c1ccc2c(c1)nn[nH]2)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "ZDOBSAPHUUUOHX-BJWYYQGGSA-N" . "InChI=1S/C23H19F6N5O3/c24-22(25,26)13-3-11(4-14(6-13)23(27,28)29)10-37-21(36)34-8-16-15(17(16)9-34)7-30-20(35)12-1-2-18-19(5-12)32-33-31-18/h1-6,15-17H,7-10H2,(H,30,35)(H,31,32,33)/t15-,16+,17-" . "CC1CC(N)CC(C1)c1ccncc1NC(=O)c1ccc(c(n1)c1c(F)cccc1F)F" . "C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(c(n1)c1c(F)cccc1F)F" . "VRQXRVAKPDCRCI-ZNMIVQPWSA-N" . "InChI=1S/C24H23F3N4O/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26/h2-8,12-15H,9-11,28H2,1H3,(H,31,32)/t13-,14+,15-/m0/s1" . "COCc1c(CN2CCNC(=O)C2)n2c(c1c1cc3c(s1)c(OC)cc(c3)C)c(N)ncn2" . "COCc1c(CN2CCNC(=O)C2)n2c(c1c1cc3c(s1)c(OC)cc(c3)C)c(N)ncn2" . "HNLRRJSKGXOYNO-UHFFFAOYSA-N" . "InChI=1S/C23H26N6O3S/c1-13-6-14-8-18(33-22(14)17(7-13)32-3)20-15(11-31-2)16(9-28-5-4-25-19(30)10-28)29-21(20)23(24)26-12-27-29/h6-8,12H,4-5,9-11H2,1-3H3,(H,25,30)(H2,24,26,27)" . "C=CC(=O)N1CCN(CC1)CCCn1c2nc(NC)ncc2cc(c1=O)c1c(Cl)c(OC)cc(c1Cl)OC" . "C=CC(=O)N1CCN(CC1)CCCn1c2nc(NC)ncc2cc(c1=O)c1c(Cl)c(OC)cc(c1Cl)OC" . "PUIXMSRTTHLNKI-UHFFFAOYSA-N" . "InChI=1S/C26H30Cl2N6O4/c1-5-20(35)33-11-9-32(10-12-33)7-6-8-34-24-16(15-30-26(29-2)31-24)13-17(25(34)36)21-22(27)18(37-3)14-19(38-4)23(21)28/h5,13-15H,1,6-12H2,2-4H3,(H,29,30,31)" . "Cc1nc2c([nH]1)cc(cc2)n1ncc(c1N)C(=O)c1cc2c([nH]1)cccc2" . "Cc1nc2c([nH]1)cc(cc2)n1ncc(c1N)C(=O)c1cc2c([nH]1)cccc2" . "BEMNJULZEQTDJY-UHFFFAOYSA-N" . "InChI=1S/C20H16N6O/c1-11-23-16-7-6-13(9-17(16)24-11)26-20(21)14(10-22-26)19(27)18-8-12-4-2-3-5-15(12)25-18/h2-10,25H,21H2,1H3,(H,23,24)" . "C=CC(=O)N1CCC(C1)n1nc(c2c1ncnc2N)C#Cc1cc(OC)cc(c1)OC" . "C=CC(=O)N1CC[C@@H](C1)n1nc(c2c1ncnc2N)C#Cc1cc(OC)cc(c1)OC" . "KEIPNCCJPRMIAX-HNNXBMFYSA-N" . "InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m0/s1" . "COCCNCCc1cccc(c1)Nc1ncc2c(n1)c1ccccc1C(C2)c1ccccc1F" . "COCCNCCc1cccc(c1)Nc1ncc2c(n1)c1ccccc1[C@@H](C2)c1ccccc1F" . "KPJDVVCDVBFRMU-AREMUKBSSA-N" . "InChI=1S/C29H29FN4O/c1-35-16-15-31-14-13-20-7-6-8-22(17-20)33-29-32-19-21-18-26(24-10-4-5-12-27(24)30)23-9-2-3-11-25(23)28(21)34-29/h2-12,17,19,26,31H,13-16,18H2,1H3,(H,32,33,34)/t26-/m1/s1" . "CC(CN(C1CCN(CC1)c1[nH]nc(n1)N)CCc1ccc(cc1)Cl)C" . "CC(CN(C1CCN(CC1)c1[nH]nc(n1)N)CCc1ccc(cc1)Cl)C" . "BADSWYIEDNZIEB-UHFFFAOYSA-N" . "InChI=1S/C19H29ClN6/c1-14(2)13-26(10-7-15-3-5-16(20)6-4-15)17-8-11-25(12-9-17)19-22-18(21)23-24-19/h3-6,14,17H,7-13H2,1-2H3,(H3,21,22,23,24)" . "Fc1ccc2c(c1)c(C)c(s2)S(=O)(=O)Nc1ccc(cc1S(=O)(=O)C)c1scc(n1)C(=O)O" . "Fc1ccc2c(c1)c(C)c(s2)S(=O)(=O)Nc1ccc(cc1S(=O)(=O)C)c1scc(n1)C(=O)O" . "CBRCULCCRGSSLB-UHFFFAOYSA-N" . "InChI=1S/C20H15FN2O6S4/c1-10-13-8-12(21)4-6-16(13)31-20(10)33(28,29)23-14-5-3-11(7-17(14)32(2,26)27)18-22-15(9-30-18)19(24)25/h3-9,23H,1-2H3,(H,24,25)" . "CCOc1ccccc1C(=O)NCc1coc(n1)c1ccc(c(c1)OC(C)C)OC(F)F" . "CCOc1ccccc1C(=O)NCc1coc(n1)c1ccc(c(c1)OC(C)C)OC(F)F" . "VFBILHPIHUPBPZ-UHFFFAOYSA-N" . "InChI=1S/C23H24F2N2O5/c1-4-29-18-8-6-5-7-17(18)21(28)26-12-16-13-30-22(27-16)15-9-10-19(32-23(24)25)20(11-15)31-14(2)3/h5-11,13-14,23H,4,12H2,1-3H3,(H,26,28)" . "CCCCCC=CCC=CCC=CCCCCCCC(=O)O" . "CCCCC/C=C/C/C=C/C/C=C/CCCCCCC(=O)O" . "HOBAELRKJCKHQD-QNEBEIHSSA-N" . "InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-" . "OC(=O)c1ccc(cc1)S(=O)(=O)N(c1ncc2c(c1C1CC1)cccc2)Cc1ccc(cc1)OC(F)(F)F" . "OC(=O)c1ccc(cc1)S(=O)(=O)N(c1ncc2c(c1C1CC1)cccc2)Cc1ccc(cc1)OC(F)(F)F" . "CWEFDWIKLABKBX-UHFFFAOYSA-N" . "InChI=1S/C27H21F3N2O5S/c28-27(29,30)37-21-11-5-17(6-12-21)16-32(38(35,36)22-13-9-19(10-14-22)26(33)34)25-24(18-7-8-18)23-4-2-1-3-20(23)15-31-25/h1-6,9-15,18H,7-8,16H2,(H,33,34)" . "OC(=O)CC(C(=O)O)Cl" . "OC(=O)C[C@@H](C(=O)O)Cl" . "QEGKXSHUKXMDRW-REOHCLBHSA-N" . "InChI=1S/C4H5ClO4/c5-2(4(8)9)1-3(6)7/h2H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1" . "CCCCCCC(c1cc(O)c2c(c1)OC(C1C2CC(=CC1)C(=O)O)(C)C)(C)C" . "CCCCCCC(c1cc(O)c2c(c1)OC([C@H]1[C@H]2CC(=CC1)C(=O)O)(C)C)(C)C" . "YCHYFHOSGQABSW-RTBURBONSA-N" . "InChI=1S/C25H36O4/c1-6-7-8-9-12-24(2,3)17-14-20(26)22-18-13-16(23(27)28)10-11-19(18)25(4,5)29-21(22)15-17/h10,14-15,18-19,26H,6-9,11-13H2,1-5H3,(H,27,28)/t18-,19-/m1/s1" . "CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)C" . "CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)C" . "GAKUNXBDVGLOFS-UHFFFAOYSA-N" . "InChI=1S/C39H70O6/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-39(42)45-37(34-43-36(3)40)35-44-38(41)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2/h12,14,18-19,37H,4-11,13,15-17,20-35H2,1-3H3" . "CCN(C(=O)COC(=O)C=CC(=O)OC)CC" . "CCN(C(=O)COC(=O)/C=C/C(=O)OC)CC" . "AKUGRXRLHCCENI-VOTSOKGWSA-N" . "InChI=1S/C11H17NO5/c1-4-12(5-2)9(13)8-17-11(15)7-6-10(14)16-3/h6-7H,4-5,8H2,1-3H3/b7-6+" . "CN(CCNS(=O)(=O)Cc1cccc(c1)Nc1nccc(n1)Oc1ccc2c(c1)cc([nH]2)C)C" . "CN(CCNS(=O)(=O)Cc1cccc(c1)Nc1nccc(n1)Oc1ccc2c(c1)cc([nH]2)C)C" . "TTZSNFLLYPYKIL-UHFFFAOYSA-N" . "InChI=1S/C24H28N6O3S/c1-17-13-19-15-21(7-8-22(19)27-17)33-23-9-10-25-24(29-23)28-20-6-4-5-18(14-20)16-34(31,32)26-11-12-30(2)3/h4-10,13-15,26-27H,11-12,16H2,1-3H3,(H,25,28,29)" . "COCCNc1cc(ncc1C#N)NC(=O)N1CCCc2c1nc(C=O)c(c2)CN1CCN(CC1=O)C" . "COCCNc1cc(ncc1C#N)NC(=O)N1CCCc2c1nc(C=O)c(c2)CN1CCN(CC1=O)C" . "BHKDKKZMPODMIQ-UHFFFAOYSA-N" . "InChI=1S/C25H30N8O4/c1-31-7-8-32(23(35)15-31)14-18-10-17-4-3-6-33(24(17)29-21(18)16-34)25(36)30-22-11-20(27-5-9-37-2)19(12-26)13-28-22/h10-11,13,16H,3-9,14-15H2,1-2H3,(H2,27,28,30,36)" . "CCN1C(=O)N(Cc2c1c1cc([nH]c1nc2)CN1CCOCC1)c1c(F)c(OC)cc(c1F)OC" . "CCN1C(=O)N(Cc2c1c1cc([nH]c1nc2)CN1CCOCC1)c1c(F)c(OC)cc(c1F)OC" . "HCDMJFOHIXMBOV-UHFFFAOYSA-N" . "InChI=1S/C24H27F2N5O4/c1-4-30-21-14(11-27-23-16(21)9-15(28-23)13-29-5-7-35-8-6-29)12-31(24(30)32)22-19(25)17(33-2)10-18(34-3)20(22)26/h9-11H,4-8,12-13H2,1-3H3,(H,27,28)" . "COc1ccc(nn1)C(c1cc(c(cc1Cl)F)c1ncnc2c1ccc(c2)N1CCOCC1)O" . "COc1ccc(nn1)[C@H](c1cc(c(cc1Cl)F)c1ncnc2c1ccc(c2)N1CCOCC1)O" . "MOWXJLUYGFNTAL-DEOSSOPVSA-N" . "InChI=1S/C24H21ClFN5O3/c1-33-22-5-4-20(29-30-22)24(32)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3/t24-/m0/s1" . "COc1nc(F)cnc1NS(=O)(=O)c1cccc(c1Cl)Cl" . "COc1nc(F)cnc1NS(=O)(=O)c1cccc(c1Cl)Cl" . "NWSUDJQTTGDPIR-UHFFFAOYSA-N" . "InChI=1S/C11H8Cl2FN3O3S/c1-20-11-10(15-5-8(14)16-11)17-21(18,19)7-4-2-3-6(12)9(7)13/h2-5H,1H3,(H,15,17)" . "C=CC(=O)NC1CN(CC1F)c1nc(Nc2cn(nc2OC)C)c2c(n1)n(C)cn2" . "C=CC(=O)N[C@@H]1CN(C[C@H]1F)c1nc(Nc2cn(nc2OC)C)c2c(n1)n(C)cn2" . "JYIUNVOCEFIUIU-GHMZBOCLSA-N" . "InChI=1S/C18H22FN9O2/c1-5-13(29)21-11-8-28(6-10(11)19)18-23-15(14-16(24-18)26(2)9-20-14)22-12-7-27(3)25-17(12)30-4/h5,7,9-11H,1,6,8H2,2-4H3,(H,21,29)(H,22,23,24)/t10-,11-/m1/s1" . "Nc1cncc(n1)c1cn2ccnc2c(n1)Nc1ccc(cc1)N1CCN(CC1)C1COC1" . "Nc1cncc(n1)c1cn2ccnc2c(n1)Nc1ccc(cc1)N1CCN(CC1)C1COC1" . "XCIGZBVOUQVIPI-UHFFFAOYSA-N" . "InChI=1S/C23H25N9O/c24-21-12-25-11-19(28-21)20-13-32-6-5-26-23(32)22(29-20)27-16-1-3-17(4-2-16)30-7-9-31(10-8-30)18-14-33-15-18/h1-6,11-13,18H,7-10,14-15H2,(H2,24,28)(H,27,29)" . "OC(=O)c1c2ccccc2cc2c1cccc2" . "OC(=O)c1c2ccccc2cc2c1cccc2" . "XGWFJBFNAQHLEF-UHFFFAOYSA-N" . "InChI=1S/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17)" . "COc1cc(ccc1Nc1nc2NCCc2c(n1)Nc1ccccc1S(=O)(=O)NC(C)C)N1CCC(CC1)N1CCN(CC1)C" . "COc1cc(ccc1Nc1nc2NCCc2c(n1)Nc1ccccc1S(=O)(=O)NC(C)C)N1CCC(CC1)N1CCN(CC1)C" . "NPJCURIANJMFEO-UHFFFAOYSA-N" . "InChI=1S/C32H45N9O3S/c1-22(2)38-45(42,43)29-8-6-5-7-27(29)34-31-25-11-14-33-30(25)36-32(37-31)35-26-10-9-24(21-28(26)44-4)40-15-12-23(13-16-40)41-19-17-39(3)18-20-41/h5-10,21-23,38H,11-20H2,1-4H3,(H3,33,34,35,36,37)" . "OC(=O)C1CCC(CC1)CC(=O)N1CCc2c(C1)n(Cc1ccc(cc1F)Cl)c1c2cccn1" . "OC(=O)[C@@H]1CC[C@H](CC1)CC(=O)N1CCc2c(C1)n(Cc1ccc(cc1F)Cl)c1c2cccn1" . "RKUKGCKNRLOSDX-QAQDUYKDSA-N" . "InChI=1S/C26H27ClFN3O3/c27-19-8-7-18(22(28)13-19)14-31-23-15-30(11-9-20(23)21-2-1-10-29-25(21)31)24(32)12-16-3-5-17(6-4-16)26(33)34/h1-2,7-8,10,13,16-17H,3-6,9,11-12,14-15H2,(H,33,34)/t16-,17-" . "N#CC(=CC(N(C1COC1)C)(C)C)C(=O)N1CCCC1Cn1nc(c2c1ncnc2N)c1ccc(cc1F)Oc1ccccc1" . "N#C/C(=C/C(N(C1COC1)C)(C)C)/C(=O)N1CCC[C@H]1Cn1nc(c2c1ncnc2N)c1ccc(cc1F)Oc1ccccc1" . "YELZMARZEBVKBL-VAZXNAHHSA-N" . "InChI=1S/C33H35FN8O3/c1-33(2,40(3)23-18-44-19-23)15-21(16-35)32(43)41-13-7-8-22(41)17-42-31-28(30(36)37-20-38-31)29(39-42)26-12-11-25(14-27(26)34)45-24-9-5-4-6-10-24/h4-6,9-12,14-15,20,22-23H,7-8,13,17-19H2,1-3H3,(H2,36,37,38)/b21-15+/t22-/m0/s1" . "Ic1cccc(c1)C(=O)NC1C=CC2C34C1Oc1c4c(CC2N(CC3)CC2CC2)ccc1O" . "Ic1cccc(c1)C(=O)N[C@@H]1C=CC2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O" . "WTIFKSFIQUZRRN-FMDQGZFPSA-N" . "InChI=1S/C27H27IN2O3/c28-18-3-1-2-17(12-18)26(32)29-20-8-7-19-21-13-16-6-9-22(31)24-23(16)27(19,25(20)33-24)10-11-30(21)14-15-4-5-15/h1-3,6-9,12,15,19-21,25,31H,4-5,10-11,13-14H2,(H,29,32)/t19?,20-,21-,25+,27+/m1/s1" . "CC(C(=O)O)C(=O)O" . "CC(C(=O)O)C(=O)O" . "ZIYVHBGGAOATLY-UHFFFAOYSA-N" . "InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)" . "CCCCCC=CCC(C(C1CC1)C(C=CCC=CCCCC(=O)OC)O)C1CC1" . "CCCCC/C=C/CC(C(C1CC1)[C@H](/C=C/C/C=C/CCCC(=O)OC)O)C1CC1" . "ODNVBPFEZJHAAU-OBNWJGEWSA-N" . "InChI=1S/C27H44O3/c1-3-4-5-6-9-12-15-24(22-18-19-22)27(23-20-21-23)25(28)16-13-10-7-8-11-14-17-26(29)30-2/h7-9,12-13,16,22-25,27-28H,3-6,10-11,14-15,17-21H2,1-2H3/b8-7-,12-9-,16-13-/t24?,25-,27?/m0/s1" . "NCC(=CF)CCc1ccc(cc1)F" . "NC/C(=C/F)/CCc1ccc(cc1)F" . "VXLBSYHAEKDUSU-JXMROGBWSA-N" . "InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+" . "NCC(=CF)COc1ccc(cc1)S(=O)(=O)N" . "NC/C(=C/F)/COc1ccc(cc1)S(=O)(=O)N" . "GJRSZKOPZAJCGZ-VMPITWQZSA-N" . "InChI=1S/C10H13FN2O3S/c11-5-8(6-12)7-16-9-1-3-10(4-2-9)17(13,14)15/h1-5H,6-7,12H2,(H2,13,14,15)/b8-5+" . "C=CC(=O)N1CCC(CC1)CNc1ncnc(c1c1ccc(cc1)Oc1ccccc1)N" . "C=CC(=O)N1CCC(CC1)CNc1ncnc(c1c1ccc(cc1)Oc1ccccc1)N" . "QUIWHXQETADMGN-UHFFFAOYSA-N" . "InChI=1S/C25H27N5O2/c1-2-22(31)30-14-12-18(13-15-30)16-27-25-23(24(26)28-17-29-25)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H3,26,27,28,29)" . "CN1C(=O)C(NC1=O)Cc1c[nH]c2c1cccc2Cl" . "CN1C(=O)C(NC1=O)Cc1c[nH]c2c1cccc2Cl" . "WIKGAEMMNQTUGL-UHFFFAOYSA-N" . "InChI=1S/C13H12ClN3O2/c1-17-12(18)10(16-13(17)19)5-7-6-15-11-8(7)3-2-4-9(11)14/h2-4,6,10,15H,5H2,1H3,(H,16,19)" . "S=C1NC(C(=O)N1C)Cc1c[nH]c2c1cccc2" . "S=C1NC(C(=O)N1C)Cc1c[nH]c2c1cccc2" . "TXUWMXQFNYDOEZ-UHFFFAOYSA-N" . "InChI=1S/C13H13N3OS/c1-16-12(17)11(15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,6H2,1H3,(H,15,18)" . "COc1cc2OC(O)(CC(=O)c2c(c1)O)c1ccc(cc1)OCc1ccccc1" . "COc1cc2OC(O)(CC(=O)c2c(c1)O)c1ccc(cc1)OCc1ccccc1" . "OUAZLWHOOTXVCE-UHFFFAOYSA-N" . "InChI=1S/C23H20O6/c1-27-18-11-19(24)22-20(25)13-23(26,29-21(22)12-18)16-7-9-17(10-8-16)28-14-15-5-3-2-4-6-15/h2-12,24,26H,13-14H2,1H3" . "O=C1CC(C)(C)CC2=C1C(c1ccc(cc1)OCc1ccccc1C)C1=C(O2)CC(CC1=O)(C)C" . "O=C1CC(C)(C)CC2=C1C(c1ccc(cc1)OCc1ccccc1C)C1=C(O2)CC(CC1=O)(C)C" . "UEKIYVKPQNKSDI-UHFFFAOYSA-N" . "InChI=1S/C31H34O4/c1-19-8-6-7-9-21(19)18-34-22-12-10-20(11-13-22)27-28-23(32)14-30(2,3)16-25(28)35-26-17-31(4,5)15-24(33)29(26)27/h6-13,27H,14-18H2,1-5H3" . "Cc1cccc(c1)Oc1cnc(=O)[nH]c1" . "Cc1cccc(c1)Oc1cnc(=O)[nH]c1" . "HJQILFPVRNHTIG-UHFFFAOYSA-N" . "InChI=1S/C11H10N2O2/c1-8-3-2-4-9(5-8)15-10-6-12-11(14)13-7-10/h2-7H,1H3,(H,12,13,14)" . "CNC(=O)CC1C(=O)N(c2c1cccc2)C1CCN(CC1)C1CCC(CC1)C(C)C" . "CNC(=O)CC1C(=O)N(c2c1cccc2)C1CCN(CC1)[C@@H]1CC[C@@H](CC1)C(C)C" . "IGSSUIQLZJANKJ-QIDMFYOTSA-N" . "InChI=1S/C25H37N3O2/c1-17(2)18-8-10-19(11-9-18)27-14-12-20(13-15-27)28-23-7-5-4-6-21(23)22(25(28)30)16-24(29)26-3/h4-7,17-20,22H,8-16H2,1-3H3,(H,26,29)/t18-,19+,22?" . "CCCCn1c(CN(Cc2ccc3c(c2)OCO3)Cc2ccc3c(c2)OCO3)c(nc1c1ccccc1)c1ccccc1" . "CCCCn1c(CN(Cc2ccc3c(c2)OCO3)Cc2ccc3c(c2)OCO3)c(nc1c1ccccc1)c1ccccc1" . "ITACCRHKSPSKKL-UHFFFAOYSA-N" . "InChI=1S/C36H35N3O4/c1-2-3-18-39-30(35(28-10-6-4-7-11-28)37-36(39)29-12-8-5-9-13-29)23-38(21-26-14-16-31-33(19-26)42-24-40-31)22-27-15-17-32-34(20-27)43-25-41-32/h4-17,19-20H,2-3,18,21-25H2,1H3" . "O=CNC(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(N)(C)C)Cc1c[nH]c2c1cccc2" . "O=CN[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](NC(=O)C(N)(C)C)Cc1c[nH]c2c1cccc2" . "UJVDJAPJQWZRFR-DHIUTWEWSA-N" . "InChI=1S/C26H30N6O3/c1-26(2,27)25(35)31-22(11-16-13-28-20-9-5-3-7-18(16)20)24(34)32-23(30-15-33)12-17-14-29-21-10-6-4-8-19(17)21/h3-10,13-15,22-23,28-29H,11-12,27H2,1-2H3,(H,30,33)(H,31,35)(H,32,34)/t22-,23-/m1/s1" . "N#Cc1cc(NC(=O)C(=O)O)c(c(c1)NC(=O)C(=O)O)Cl" . "N#Cc1cc(NC(=O)C(=O)O)c(c(c1)NC(=O)C(=O)O)Cl" . "RVGLGHVJXCETIO-UHFFFAOYSA-N" . "InChI=1S/C11H6ClN3O6/c12-7-5(14-8(16)10(18)19)1-4(3-13)2-6(7)15-9(17)11(20)21/h1-2H,(H,14,16)(H,15,17)(H,18,19)(H,20,21)" . "COc1cc(F)c(c(c1)F)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(=O)O" . "COc1cc(F)c(c(c1)F)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(=O)O" . "GDUANFXPOZTYKS-UHFFFAOYSA-N" . "InChI=1S/C18H10BrF2NO6/c1-27-8-4-10(20)15(11(21)5-8)17(24)22-12-3-7(19)2-9-13(23)6-14(18(25)26)28-16(9)12/h2-6H,1H3,(H,22,24)(H,25,26)" . "COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F" . "COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F" . "CYNLZIBKERMMOA-UHFFFAOYSA-N" . "InChI=1S/C17H19F2N5O2S/c1-17(2,3)22-16(27)23-20-9-14-11(15(25)26-4)8-21-24(14)13-6-5-10(18)7-12(13)19/h5-9H,1-4H3,(H2,22,23,27)" . "CCc1nc(N)nc(c1OCCCOc1ccccc1CCC(=O)O)N" . "CCc1nc(N)nc(c1OCCCOc1ccccc1CCC(=O)O)N" . "VDGXZSSDCDPCRF-UHFFFAOYSA-N" . "InChI=1S/C18H24N4O4/c1-2-13-16(17(19)22-18(20)21-13)26-11-5-10-25-14-7-4-3-6-12(14)8-9-15(23)24/h3-4,6-7H,2,5,8-11H2,1H3,(H,23,24)(H4,19,20,21,22)" . "O=CN(CCCP(=O)(O)O)O" . "O=CN(CCCP(=O)(O)O)O" . "GJXWDTUCERCKIX-UHFFFAOYSA-N" . "InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)" . "COc1c(O)cc2c(c1O)c(=O)c(co2)c1ccc(cc1)O" . "COc1c(O)cc2c(c1O)c(=O)c(co2)c1ccc(cc1)O" . "OBBCRPUNCUPUOS-UHFFFAOYSA-N" . "InChI=1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3" . "OC(=O)C1CC1C(=O)O" . "OC(=O)[C@@H]1C[C@@H]1C(=O)O" . "RLWFMZKPPHHHCB-WSOKHJQSSA-N" . "InChI=1S/C5H6O4/c6-4(7)2-1-3(2)5(8)9/h2-3H,1H2,(H,6,7)(H,8,9)/t2-,3+" . "Fc1ccc2c(c1)c(cc(n2)c1ccc(cc1)CN1CCOCC1)C(=O)NCCN1CCCC1" . "Fc1ccc2c(c1)c(cc(n2)c1ccc(cc1)CN1CCOCC1)C(=O)NCCN1CCCC1" . "BENUHBSJOJMZEE-UHFFFAOYSA-N" . "InChI=1S/C27H31FN4O2/c28-22-7-8-25-23(17-22)24(27(33)29-9-12-31-10-1-2-11-31)18-26(30-25)21-5-3-20(4-6-21)19-32-13-15-34-16-14-32/h3-8,17-18H,1-2,9-16,19H2,(H,29,33)" . "O=CNc1coc2c(c1=O)cc(c(c2)NS(=O)(=O)C)Oc1ccccc1" . "O=CNc1coc2c(c1=O)cc(c(c2)NS(=O)(=O)C)Oc1ccccc1" . "ANMATWQYLIFGOK-UHFFFAOYSA-N" . "InChI=1S/C17H14N2O6S/c1-26(22,23)19-13-8-15-12(17(21)14(9-24-15)18-10-20)7-16(13)25-11-5-3-2-4-6-11/h2-10,19H,1H3,(H,18,20)" . "NCCCNCCCCNCCCNC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(C(C)C)OS(=O)(=O)O)C)C)O)C" . "NCCCNCCCCNCCCN[C@H]1CC[C@]2([C@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CC[C@H](C(C)C)OS(=O)(=O)O)C)C)O)C" . "WUJVPODXELZABP-FWJXURDUSA-N" . "InChI=1S/C37H72N4O5S/c1-26(2)34(46-47(43,44)45)13-10-27(3)30-11-12-31-35-32(15-17-37(30,31)5)36(4)16-14-29(24-28(36)25-33(35)42)41-23-9-22-40-20-7-6-19-39-21-8-18-38/h26-35,39-42H,6-25,38H2,1-5H3,(H,43,44,45)/t27-,28-,29+,30-,31+,32+,33-,34-,35+,36+,37-/m1/s1" . "CC(OCc1cc(O)c(c(c1Cc1cc(O)c(c(c1Br)Br)O)Br)O)C" . "CC(OCc1cc(O)c(c(c1Cc1cc(O)c(c(c1Br)Br)O)Br)O)C" . "ZBDKXZCSKUHAPY-UHFFFAOYSA-N" . "InChI=1S/C17H17Br3O5/c1-7(2)25-6-9-5-12(22)16(23)14(19)10(9)3-8-4-11(21)17(24)15(20)13(8)18/h4-5,7,21-24H,3,6H2,1-2H3" . "OCC(=O)C1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)OC(=O)c1ccccc1" . "OCC(=O)[C@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)OC(=O)c1ccccc1" . "LPEYMYDYPGRLBU-YGZHYJPASA-N" . "InChI=1S/C28H34O6/c1-26-12-10-19(30)14-18(26)8-9-20-21-11-13-28(23(32)16-29,27(21,2)15-22(31)24(20)26)34-25(33)17-6-4-3-5-7-17/h3-7,14,20-22,24,29,31H,8-13,15-16H2,1-2H3/t20-,21-,22-,24+,26-,27-,28-/m0/s1" . "O=C(c1cnc2c(c1)CC1(C2)C(=O)Nc2c1cccn2)NC1CC(C(N(C1=O)CC(F)(F)F)C)c1c(F)ccc(c1F)F" . "O=C(c1cnc2c(c1)C[C@@]1(C2)C(=O)Nc2c1cccn2)N[C@H]1C[C@H]([C@H](N(C1=O)CC(F)(F)F)C)c1c(F)ccc(c1F)F" . "QIVUCLWGARAQIO-OLIXTKCUSA-N" . "InChI=1S/C29H23F6N5O3/c1-13-16(22-18(30)4-5-19(31)23(22)32)8-20(26(42)40(13)12-29(33,34)35)38-25(41)15-7-14-9-28(10-21(14)37-11-15)17-3-2-6-36-24(17)39-27(28)43/h2-7,11,13,16,20H,8-10,12H2,1H3,(H,38,41)(H,36,39,43)/t13-,16-,20+,28+/m1/s1" . "Fc1cccc(c1)c1c(nc2n(c1=O)c(C)cs2)C(Nc1ncnc2c1nc[nH]2)C" . "Fc1cccc(c1)c1c(nc2n(c1=O)c(C)cs2)[C@@H](Nc1ncnc2c1nc[nH]2)C" . "RSIWALKZYXPAGW-NSHDSACASA-N" . "InChI=1S/C20H16FN7OS/c1-10-7-30-20-27-15(11(2)26-18-16-17(23-8-22-16)24-9-25-18)14(19(29)28(10)20)12-4-3-5-13(21)6-12/h3-9,11H,1-2H3,(H2,22,23,24,25,26)/t11-/m0/s1" . "OCC(CCc1ccc(cc1Cl)Sc1cccc(c1)OCc1ccccc1)(CO)N" . "OCC(CCc1ccc(cc1Cl)Sc1cccc(c1)OCc1ccccc1)(CO)N" . "IINUNQPYJGJCJI-UHFFFAOYSA-N" . "InChI=1S/C24H26ClNO3S/c25-23-14-22(10-9-19(23)11-12-24(26,16-27)17-28)30-21-8-4-7-20(13-21)29-15-18-5-2-1-3-6-18/h1-10,13-14,27-28H,11-12,15-17,26H2" . "Nc1ncc(cc1c1ccc(nc1)C(F)(F)F)c1ccc(cc1)S(=O)(=O)C" . "Nc1ncc(cc1c1ccc(nc1)C(F)(F)F)c1ccc(cc1)S(=O)(=O)C" . "RTJQABCNNLMCJF-UHFFFAOYSA-N" . "InChI=1S/C18H14F3N3O2S/c1-27(25,26)14-5-2-11(3-6-14)13-8-15(17(22)24-10-13)12-4-7-16(23-9-12)18(19,20)21/h2-10H,1H3,(H2,22,24)" . "OC(=O)c1cc(F)c2c(c1)sc(n2)N1C2CCC1CC(C2)OCc1c(onc1c1ccccc1OC(F)(F)F)C1CC1" . "OC(=O)c1cc(F)c2c(c1)sc(n2)N1[C@@H]2CC[C@H]1C[C@H](C2)OCc1c(onc1c1ccccc1OC(F)(F)F)C1CC1" . "VYLOOGHLKSNNEK-PIIMJCKOSA-N" . "InChI=1S/C29H25F4N3O5S/c30-21-9-15(27(37)38)10-23-25(21)34-28(42-23)36-16-7-8-17(36)12-18(11-16)39-13-20-24(35-41-26(20)14-5-6-14)19-3-1-2-4-22(19)40-29(31,32)33/h1-4,9-10,14,16-18H,5-8,11-13H2,(H,37,38)/t16-,17+,18+" . "CCC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)O)CCCNC(=N)N)CCCNC(=N)N)C(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1[nH]cnc1)N)(C)C)CCC(=O)O)Cc1ccccc1)CO)CC(=O)O)CO)CO)Cc1ccc(cc1)O)CC(C)C)CCC(=O)O)CCC(=O)N)C)C)CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(C(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O)CCC(=O)O)Cc1ccccc1)C" . "CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)O)CCCNC(=N)N)CCCNC(=N)N)C(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)C(NC(=O)[C@H](Cc1[nH]cnc1)N)(C)C)CCC(=O)O)Cc1ccccc1)CO)CC(=O)O)CO)CO)Cc1ccc(cc1)O)CC(C)C)CCC(=O)O)CCC(=O)N)C)C)CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O)CCC(=O)O)Cc1ccccc1)C" . "DLSWIYLPEUIQAV-CCUURXOWSA-N" . "InChI=1S/C187H291N45O59/c1-18-105(10)154(180(282)208-108(13)159(261)216-133(86-114-89-200-119-50-40-39-49-117(114)119)170(272)218-129(82-102(4)5)171(273)228-152(103(6)7)178(280)215-121(53-44-72-199-186(192)193)162(264)201-91-141(242)209-120(52-43-71-198-185(190)191)161(263)204-94-151(257)258)230-172(274)131(83-111-45-33-31-34-46-111)219-167(269)126(64-69-149(253)254)214-166(268)122(51-41-42-70-195-144(245)98-290-79-78-289-76-74-197-145(246)99-291-80-77-288-75-73-196-139(240)66-61-127(183(285)286)211-140(241)54-37-29-27-25-23-21-19-20-22-24-26-28-30-38-55-146(247)248)212-158(260)107(12)206-157(259)106(11)207-165(267)125(60-65-138(189)239)210-142(243)92-202-163(265)123(62-67-147(249)250)213-168(270)128(81-101(2)3)217-169(271)130(85-113-56-58-116(238)59-57-113)220-175(277)135(95-233)223-177(279)137(97-235)224-179(281)153(104(8)9)229-174(276)134(88-150(255)256)221-176(278)136(96-234)225-182(284)156(110(15)237)231-173(275)132(84-112-47-35-32-36-48-112)222-181(283)155(109(14)236)227-143(244)93-203-164(266)124(63-68-148(251)252)226-184(287)187(16,17)232-160(262)118(188)87-115-90-194-100-205-115/h31-36,39-40,45-50,56-59,89-90,100-110,118,120-137,152-156,200,233-238H,18-30,37-38,41-44,51-55,60-88,91-99,188H2,1-17H3,(H2,189,239)(H,194,205)(H,195,245)(H,196,240)(H,197,246)(H,201,264)(H,202,265)(H,203,266)(H,204,263)(H,206,259)(H,207,267)(H,208,282)(H,209,242)(H,210,243)(H,211,241)(H,212,260)(H,213,270)(H,214,268)(H,215,280)(H,216,261)(H,217,271)(H,218,272)(H,219,269)(H,220,277)(H,221,278)(H,222,283)(H,223,279)(H,224,281)(H,225,284)(H,226,287)(H,227,244)(H,228,273)(H,229,276)(H,230,274)(H,231,275)(H,232,262)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,285,286)(H4,190,191,198)(H4,192,193,199)/t105-,106-,107-,108-,109+,110+,118-,120-,121-,122-,123-,124-,125-,126-,127+,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,152-,153-,154-,155-,156-/m0/s1" . "N#Cc1cc(ccc1F)NC(=O)C1c2ccccc2C(=O)N(C1c1cccnc1)CC(F)(F)F" . "N#Cc1cc(ccc1F)NC(=O)[C@H]1c2ccccc2C(=O)N([C@@H]1c1cccnc1)CC(F)(F)F" . "VKCPFWKTFZAOTO-LEWJYISDSA-N" . "InChI=1S/C24H16F4N4O2/c25-19-8-7-16(10-15(19)11-29)31-22(33)20-17-5-1-2-6-18(17)23(34)32(13-24(26,27)28)21(20)14-4-3-9-30-12-14/h1-10,12,20-21H,13H2,(H,31,33)/t20-,21+/m0/s1" . "NCCCC(Nc1cc(OC)c(c2c1nc(OC)cc2C)Oc1cccc(c1)C(F)(F)F)C" . "NCCCC(Nc1cc(OC)c(c2c1nc(OC)cc2C)Oc1cccc(c1)C(F)(F)F)C" . "LBHLFPGPEGDCJG-UHFFFAOYSA-N" . "InChI=1S/C24H28F3N3O3/c1-14-11-20(32-4)30-22-18(29-15(2)7-6-10-28)13-19(31-3)23(21(14)22)33-17-9-5-8-16(12-17)24(25,26)27/h5,8-9,11-13,15,29H,6-7,10,28H2,1-4H3" . "CC1Cc2c3cc(F)c(cc3[nH]c2C2(N1)C(=O)Nc1c2cc(Cl)cc1)Cl" . "C[C@H]1Cc2c3cc(F)c(cc3[nH]c2[C@@]2(N1)C(=O)Nc1c2cc(Cl)cc1)Cl" . "CKLPLPZSUQEDRT-WPCRTTGESA-N" . "InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1" . "OC(=O)C1OC1C(=O)O" . "OC(=O)[C@@H]1O[C@@H]1C(=O)O" . "DCEMCPAKSGRHCN-XIXRPRMCSA-N" . "InChI=1S/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)/t1-,2+" . "Brc1ccc(cc1)CC1(C)N(C)C(=O)N(C1=O)c1cc(Cl)cc(c1)Cl" . "Brc1ccc(cc1)C[C@@]1(C)N(C)C(=O)N(C1=O)c1cc(Cl)cc(c1)Cl" . "FJNJHZQMQRVZEE-GOSISDBHSA-N" . "InChI=1S/C18H15BrCl2N2O2/c1-18(10-11-3-5-12(19)6-4-11)16(24)23(17(25)22(18)2)15-8-13(20)7-14(21)9-15/h3-9H,10H2,1-2H3/t18-/m1/s1" . "N#Cc1ccc(cc1)CC1(C)C(=O)N(c2n1c(cn2)C(=O)NC(C(=O)NC1(CC1)c1ccccn1)C)c1cc(Cl)c(c(c1)Cl)F" . "N#Cc1ccc(cc1)C[C@]1(C)C(=O)N(c2n1c(cn2)C(=O)N[C@H](C(=O)NC1(CC1)c1ccccn1)C)c1cc(Cl)c(c(c1)Cl)F" . "JZTTUZXIQIRVAB-FZEVHQGJSA-N" . "InChI=1S/C32H26Cl2FN7O3/c1-18(27(43)40-32(10-11-32)25-5-3-4-12-37-25)39-28(44)24-17-38-30-41(21-13-22(33)26(35)23(34)14-21)29(45)31(2,42(24)30)15-19-6-8-20(16-36)9-7-19/h3-9,12-14,17-18H,10-11,15H2,1-2H3,(H,39,44)(H,40,43)/t18-,31+/m0/s1" . "CNc1nc(NC2CCCC(C2)C(=O)NCc2ccc(cc2C(F)(F)F)C#N)nc(n1)C" . "CNc1nc(N[C@H]2CCC[C@H](C2)C(=O)NCc2ccc(cc2C(F)(F)F)C#N)nc(n1)C" . "LQHDJQIMETZMPH-ZBFHGGJFSA-N" . "InChI=1S/C21H24F3N7O/c1-12-28-19(26-2)31-20(29-12)30-16-5-3-4-14(9-16)18(32)27-11-15-7-6-13(10-25)8-17(15)21(22,23)24/h6-8,14,16H,3-5,9,11H2,1-2H3,(H,27,32)(H2,26,28,29,30,31)/t14-,16+/m1/s1" . "CCOCCn1cc(ccc1=O)C(=O)Nc1ccc(cn1)n1nc(cc1C(F)(F)F)c1cccnc1" . "CCOCCn1cc(ccc1=O)C(=O)Nc1ccc(cn1)n1nc(cc1C(F)(F)F)c1cccnc1" . "KMESAVNRPDKZCQ-UHFFFAOYSA-N" . "InChI=1S/C24H21F3N6O3/c1-2-36-11-10-32-15-17(5-8-22(32)34)23(35)30-21-7-6-18(14-29-21)33-20(24(25,26)27)12-19(31-33)16-4-3-9-28-13-16/h3-9,12-15H,2,10-11H2,1H3,(H,29,30,35)" . "O=C(N(C)C)Cn1ncc(c1)c1onc(n1)C(c1ccc(cc1)c1cnc(nc1)N)(C1CC1)C" . "O=C(N(C)C)Cn1ncc(c1)c1onc(n1)C(c1ccc(cc1)c1cnc(nc1)N)(C1CC1)C" . "QGPXEIMWTKWHMH-UHFFFAOYSA-N" . "InChI=1S/C24H26N8O2/c1-24(19-8-9-19,18-6-4-15(5-7-18)16-10-26-23(25)27-11-16)22-29-21(34-30-22)17-12-28-32(13-17)14-20(33)31(2)3/h4-7,10-13,19H,8-9,14H2,1-3H3,(H2,25,26,27)" . "CCS(=O)(=O)c1ncc2c(c1)cc([nH]2)CC(C(F)(F)F)(CC(c1ccc(cc1C(=O)N)F)(C)C)O" . "CCS(=O)(=O)c1ncc2c(c1)cc([nH]2)C[C@@](C(F)(F)F)(CC(c1ccc(cc1C(=O)N)F)(C)C)O" . "AUIFRJWXYUNPPV-QFIPXVFZSA-N" . "InChI=1S/C23H25F4N3O4S/c1-4-35(33,34)19-8-13-7-15(30-18(13)11-29-19)10-22(32,23(25,26)27)12-21(2,3)17-6-5-14(24)9-16(17)20(28)31/h5-9,11,30,32H,4,10,12H2,1-3H3,(H2,28,31)/t22-/m0/s1" . "N#Cc1cccn1CCC(C(=O)N1CCC(CC1)C)NS(=O)(=O)c1cccc2c1cc[nH]2" . "N#Cc1cccn1CC[C@H](C(=O)N1CCC(CC1)C)NS(=O)(=O)c1cccc2c1cc[nH]2" . "BRJXJOWXAFLRTE-OAQYLSRUSA-N" . "InChI=1S/C23H27N5O3S/c1-17-8-13-28(14-9-17)23(29)21(10-15-27-12-3-4-18(27)16-24)26-32(30,31)22-6-2-5-20-19(22)7-11-25-20/h2-7,11-12,17,21,25-26H,8-10,13-15H2,1H3/t21-/m1/s1" . "CC(Nc1ccnc(n1)Nc1cccc(c1)c1cccnc1)C" . "CC(Nc1ccnc(n1)Nc1cccc(c1)c1cccnc1)C" . "JTFUPGNZUPRHCZ-UHFFFAOYSA-N" . "InChI=1S/C18H19N5/c1-13(2)21-17-8-10-20-18(23-17)22-16-7-3-5-14(11-16)15-6-4-9-19-12-15/h3-13H,1-2H3,(H2,20,21,22,23)" . "C#CC1(O)CCC2C1(C)CCC1C2C(C)CC2=C1CCC(=O)C2" . "C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2[C@H](C)CC2=C1CCC(=O)C2" . "WZDGZWOAQTVYBX-XOINTXKNSA-N" . "InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1" . "COc1ccc(cc1)S(=O)(=O)N(c1ccc(c2c1cccc2)N(S(=O)(=O)c1ccc(cc1)OC)CC(=O)O)CC(=O)O" . "COc1ccc(cc1)S(=O)(=O)N(c1ccc(c2c1cccc2)N(S(=O)(=O)c1ccc(cc1)OC)CC(=O)O)CC(=O)O" . "KWSIQJUNYMMCTB-UHFFFAOYSA-N" . "InChI=1S/C28H26N2O10S2/c1-39-19-7-11-21(12-8-19)41(35,36)29(17-27(31)32)25-15-16-26(24-6-4-3-5-23(24)25)30(18-28(33)34)42(37,38)22-13-9-20(40-2)10-14-22/h3-16H,17-18H2,1-2H3,(H,31,32)(H,33,34)" . "Fc1ccc(cc1C)n1c(=O)ccc2c1c1cc[nH]c1nc2" . "Fc1ccc(cc1C)n1c(=O)ccc2c1c1cc[nH]c1nc2" . "WQNRDXHKVSKUPI-UHFFFAOYSA-N" . "InChI=1S/C17H12FN3O/c1-10-8-12(3-4-14(10)18)21-15(22)5-2-11-9-20-17-13(16(11)21)6-7-19-17/h2-9H,1H3,(H,19,20)" . "O=C(C1CCN(CC1)c1nc2c(n1C(C)C)cc(c(c2)C)C)NC1CCCC1" . "O=C(C1CCN(CC1)c1nc2c(n1C(C)C)cc(c(c2)C)C)NC1CCCC1" . "FPPVJOTXZIRXTF-UHFFFAOYSA-N" . "InChI=1S/C23H34N4O/c1-15(2)27-21-14-17(4)16(3)13-20(21)25-23(27)26-11-9-18(10-12-26)22(28)24-19-7-5-6-8-19/h13-15,18-19H,5-12H2,1-4H3,(H,24,28)" . "FC(c1ccc(cc1)n1c(C)cc(c1C)C=C1SC(=NC1=O)Nc1ccccc1)(F)F" . "FC(c1ccc(cc1)n1c(C)cc(c1C)/C=C/1/SC(=NC1=O)Nc1ccccc1)(F)F" . "YBBWTVGRVHTTDD-MOSHPQCFSA-N" . "InChI=1S/C23H18F3N3OS/c1-14-12-16(15(2)29(14)19-10-8-17(9-11-19)23(24,25)26)13-20-21(30)28-22(31-20)27-18-6-4-3-5-7-18/h3-13H,1-2H3,(H,27,28,30)/b20-13-" . "Clc1ccc(cc1)NC(=O)C(C1CCC(CC1)c1ccnc2c1cc(F)cc2)C" . "Clc1ccc(cc1)NC(=O)[C@@H](C1CCC(CC1)c1ccnc2c1cc(F)cc2)C" . "KRTIYQIPSAGSBP-KLAILNCOSA-N" . "InChI=1S/C24H24ClFN2O/c1-15(24(29)28-20-9-6-18(25)7-10-20)16-2-4-17(5-3-16)21-12-13-27-23-11-8-19(26)14-22(21)23/h6-17H,2-5H2,1H3,(H,28,29)/t15-,16?,17?/m1/s1" . "CCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2" . "CCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2" . "JDNLPKCAXICMBW-UHFFFAOYSA-N" . "InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3" . "FCCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2" . "FCCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2" . "ALQFAGFPQCBPED-UHFFFAOYSA-N" . "InChI=1S/C24H22FNO/c25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17H,1,6-7,15-16H2" . "COc1ccc(cc1OC)C(=O)Nc1cc(ccc1n1ncnc1)OC(F)(F)F" . "COc1ccc(cc1OC)C(=O)Nc1cc(ccc1n1ncnc1)OC(F)(F)F" . "YCDOKDADFOBKIL-UHFFFAOYSA-N" . "InChI=1S/C18H15F3N4O4/c1-27-15-6-3-11(7-16(15)28-2)17(26)24-13-8-12(29-18(19,20)21)4-5-14(13)25-10-22-9-23-25/h3-10H,1-2H3,(H,24,26)" . "ONC(=O)c1ccc(cc1)Cn1c2ccccc2c2c1CCN(C2)C" . "ONC(=O)c1ccc(cc1)Cn1c2ccccc2c2c1CCN(C2)C" . "GOVYBPLHWIEHEJ-UHFFFAOYSA-N" . "InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)" . "OC(=O)C(CCC(=O)N1CCC(CC1)Nc1nc(NCc2nnn(c2)CCCNCCCNC2CCCCC2)nc2c1cccc2)N" . "OC(=O)[C@H](CCC(=O)N1CCC(CC1)Nc1nc(NCc2nnn(c2)CCCNCCCNC2CCCCC2)nc2c1cccc2)N" . "QOVYHDHLFPKQQG-NDEPHWFRSA-N" . "InChI=1S/C33H51N11O3/c34-28(32(46)47)12-13-30(45)43-20-14-25(15-21-43)38-31-27-10-4-5-11-29(27)39-33(40-31)37-22-26-23-44(42-41-26)19-7-17-35-16-6-18-36-24-8-2-1-3-9-24/h4-5,10-11,23-25,28,35-36H,1-3,6-9,12-22,34H2,(H,46,47)(H2,37,38,39,40)/t28-/m0/s1" . "COCCn1ncc(c1)Nc1ncc(c(n1)Oc1ccccc1NC(=O)C=C)Cl" . "COCCn1ncc(c1)Nc1ncc(c(n1)Oc1ccccc1NC(=O)C=C)Cl" . "ORBLOJJZDLUQDF-UHFFFAOYSA-N" . "InChI=1S/C19H19ClN6O3/c1-3-17(27)24-15-6-4-5-7-16(15)29-18-14(20)11-21-19(25-18)23-13-10-22-26(12-13)8-9-28-2/h3-7,10-12H,1,8-9H2,2H3,(H,24,27)(H,21,23,25)" . "C=CC(=O)Nc1ccccc1Nc1nc(ncc1Cl)Nc1ccc(cc1)N1CCN(CC1)C" . "C=CC(=O)Nc1ccccc1Nc1nc(ncc1Cl)Nc1ccc(cc1)N1CCN(CC1)C" . "SCMLGVPMSXTUNC-UHFFFAOYSA-N" . "InChI=1S/C24H26ClN7O/c1-3-22(33)28-20-6-4-5-7-21(20)29-23-19(25)16-26-24(30-23)27-17-8-10-18(11-9-17)32-14-12-31(2)13-15-32/h3-11,16H,1,12-15H2,2H3,(H,28,33)(H2,26,27,29,30)" . "O=C(NCc1ccc(cc1)C(=O)N)NCC1OCCN(C1)Cc1ccc(c(c1)Cl)Cl" . "O=C(NCc1ccc(cc1)C(=O)N)NC[C@H]1OCCN(C1)Cc1ccc(c(c1)Cl)Cl" . "GPLUUMAKBFSDIE-QGZVFWFLSA-N" . "InChI=1S/C21H24Cl2N4O3/c22-18-6-3-15(9-19(18)23)12-27-7-8-30-17(13-27)11-26-21(29)25-10-14-1-4-16(5-2-14)20(24)28/h1-6,9,17H,7-8,10-13H2,(H2,24,28)(H2,25,26,29)/t17-/m1/s1" . "OCCN1CCN(CC1)C1CCCc2c(C1)ccc(c2OC)Nc1ncc(c(n1)Nc1ccccc1C(=O)NC)Cl" . "OCCN1CCN(CC1)[C@H]1CCCc2c(C1)ccc(c2OC)Nc1ncc(c(n1)Nc1ccccc1C(=O)NC)Cl" . "BCSHRERPHLTPEE-NRFANRHFSA-N" . "InChI=1S/C30H38ClN7O3/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36)/t21-/m0/s1" . "O=C(C1CC1)Nc1nn2c(n1)cccc2c1ccc(cc1)C(=O)N1CC(C1)(C)C" . "O=C(C1CC1)Nc1nn2c(n1)cccc2c1ccc(cc1)C(=O)N1CC(C1)(C)C" . "MPYACSQFXVMWNO-UHFFFAOYSA-N" . "InChI=1S/C22H23N5O2/c1-22(2)12-26(13-22)20(29)16-10-6-14(7-11-16)17-4-3-5-18-23-21(25-27(17)18)24-19(28)15-8-9-15/h3-7,10-11,15H,8-9,12-13H2,1-2H3,(H,24,25,28)" . "CNS(=O)(=O)CC1CCC(CC1)N(c1[nH]cnc2c1ccn2)C" . "CNS(=O)(=O)C[C@@H]1CC[C@H](CC1)N(c1[nH]cnc2c1ccn2)C" . "HJWLJNBZVZDLAQ-HAQNSBGRSA-N" . "InChI=1S/C15H23N5O2S/c1-16-23(21,22)9-11-3-5-12(6-4-11)20(2)15-13-7-8-17-14(13)18-10-19-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,17,18,19)/t11-,12-" . "Clc1ccc(cc1)C1CCC(CC1)C1=C(O)C(=O)c2c(C1=O)cccc2" . "Clc1ccc(cc1)[C@@H]1CC[C@H](CC1)C1=C(O)C(=O)c2c(C1=O)cccc2" . "KUCQYCKVKVOKAY-CTYIDZIISA-N" . "InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,26H,5-8H2/t13-,15-" . "Clc1ccc(c(c1)Cl)CNC1CCN(C1)c1ncc(cn1)Br" . "Clc1ccc(c(c1)Cl)CN[C@H]1CCN(C1)c1ncc(cn1)Br" . "PXQNLQLMRMROSB-ZDUSSCGKSA-N" . "InChI=1S/C15H15BrCl2N4/c16-11-7-20-15(21-8-11)22-4-3-13(9-22)19-6-10-1-2-12(17)5-14(10)18/h1-2,5,7-8,13,19H,3-4,6,9H2/t13-/m0/s1" . "COc1cc(ccc1OC)c1nc(Nc2ncccc2C(=O)N)n2c(c1)ncc2" . "COc1cc(ccc1OC)c1nc(Nc2ncccc2C(=O)N)n2c(c1)ncc2" . "JWQOJVOKBAAAAR-UHFFFAOYSA-N" . "InChI=1S/C20H18N6O3/c1-28-15-6-5-12(10-16(15)29-2)14-11-17-22-8-9-26(17)20(24-14)25-19-13(18(21)27)4-3-7-23-19/h3-11H,1-2H3,(H2,21,27)(H,23,24,25)" . "COC(=O)c1ccc2c(c1)NC(=O)C2=C(c1ccccc1)Nc1ccc2c(c1)CCN2C(=O)CN1CCOCC1" . "COC(=O)c1ccc2c(c1)NC(=O)/C/2=C(/c1ccccc1)/Nc1ccc2c(c1)CCN2C(=O)CN1CCOCC1" . "JVDJHTYIWQIOCA-ZIADKAODSA-N" . "InChI=1S/C31H30N4O5/c1-39-31(38)22-7-9-24-25(18-22)33-30(37)28(24)29(20-5-3-2-4-6-20)32-23-8-10-26-21(17-23)11-12-35(26)27(36)19-34-13-15-40-16-14-34/h2-10,17-18,32H,11-16,19H2,1H3,(H,33,37)/b29-28-" . "NCCn1c(CCCC)nc2c1c1ccc(cc1nc2N)C(=O)OC" . "NCCn1c(CCCC)nc2c1c1ccc(cc1nc2N)C(=O)OC" . "ZYCFMHCDZSVIGF-UHFFFAOYSA-N" . "InChI=1S/C18H23N5O2/c1-3-4-5-14-22-15-16(23(14)9-8-19)12-7-6-11(18(24)25-2)10-13(12)21-17(15)20/h6-7,10H,3-5,8-9,19H2,1-2H3,(H2,20,21)" . "COc1ccc(cn1)C(N1CCN(C1=O)CCCc1ccc2c(n1)NCCC2)CC(=O)O" . "COc1ccc(cn1)[C@@H](N1CCN(C1=O)CCCc1ccc2c(n1)NCCC2)CC(=O)O" . "HGFOOLONGOBCMP-IBGZPJMESA-N" . "InChI=1S/C23H29N5O4/c1-32-20-9-7-17(15-25-20)19(14-21(29)30)28-13-12-27(23(28)31)11-3-5-18-8-6-16-4-2-10-24-22(16)26-18/h6-9,15,19H,2-5,10-14H2,1H3,(H,24,26)(H,29,30)/t19-/m0/s1" . "OC(=O)C=CC(=O)O" . "OC(=O)/C=C/C(=O)O" . "VZCYOOQTPOCHFL-UPHRSURJSA-N" . "InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-" . "CCOc1cc2ncc(n2cc1S(=O)(=O)C(C)(C)C)c1cc(N)nc(c1)F" . "CCOc1cc2ncc(n2cc1S(=O)(=O)C(C)(C)C)c1cc(N)nc(c1)F" . "QWDMZDSZMVJFFJ-UHFFFAOYSA-N" . "InChI=1S/C18H21FN4O3S/c1-5-26-13-8-17-21-9-12(11-6-15(19)22-16(20)7-11)23(17)10-14(13)27(24,25)18(2,3)4/h6-10H,5H2,1-4H3,(H2,20,22)" . "CNC(=O)C(C(C)(C)C)NC(=O)C(C(N(C=O)O)C)CCCc1ccccc1" . "CNC(=O)[C@H](C(C)(C)C)NC(=O)[C@@H]([C@@H](N(C=O)O)C)CCCc1ccccc1" . "GHVMTHKJUAOZJP-CGTJXYLNSA-N" . "InChI=1S/C21H33N3O4/c1-15(24(28)14-25)17(13-9-12-16-10-7-6-8-11-16)19(26)23-18(20(27)22-5)21(2,3)4/h6-8,10-11,14-15,17-18,28H,9,12-13H2,1-5H3,(H,22,27)(H,23,26)/t15-,17+,18+/m0/s1" . "CC(c1c(O)cc(cc1O)C=Cc1ccccc1)C" . "CC(c1c(O)cc(cc1O)/C=C/c1ccccc1)C" . "ZISJNXNHJRQYJO-CMDGGOBGSA-N" . "InChI=1S/C17H18O2/c1-12(2)17-15(18)10-14(11-16(17)19)9-8-13-6-4-3-5-7-13/h3-12,18-19H,1-2H3/b9-8+" . "Clc1ccc(cc1)C(=O)n1c2ccc(cc2c2c1CCCC2=O)S(=O)(=O)C" . "Clc1ccc(cc1)C(=O)n1c2ccc(cc2c2c1CCCC2=O)S(=O)(=O)C" . "MITGKKFYIJJQGL-UHFFFAOYSA-N" . "InChI=1S/C20H16ClNO4S/c1-27(25,26)14-9-10-16-15(11-14)19-17(3-2-4-18(19)23)22(16)20(24)12-5-7-13(21)8-6-12/h5-11H,2-4H2,1H3" . "COc1ccc(cc1)CCNCC(P(=O)(O)O)N" . "COc1ccc(cc1)CCNCC(P(=O)(O)O)N" . "HFIVLLBFACNAFN-UHFFFAOYSA-N" . "InChI=1S/C11H19N2O4P/c1-17-10-4-2-9(3-5-10)6-7-13-8-11(12)18(14,15)16/h2-5,11,13H,6-8,12H2,1H3,(H2,14,15,16)" . "OC(=O)C(CP(=O)(C(CCc1ccc(cc1)[N+](=O)[O-])N)O)Cc1ccccc1" . "OC(=O)C(CP(=O)(C(CCc1ccc(cc1)[N+](=O)[O-])N)O)Cc1ccccc1" . "YSYQXQQIKOEBNN-UHFFFAOYSA-N" . "InChI=1S/C19H23N2O6P/c20-18(11-8-14-6-9-17(10-7-14)21(24)25)28(26,27)13-16(19(22)23)12-15-4-2-1-3-5-15/h1-7,9-10,16,18H,8,11-13,20H2,(H,22,23)(H,26,27)" . "C1CCC(CC1)Nc1nccc(c1)c1cc2cnccc2c(n1)N1CCNCC1" . "C1CCC(CC1)Nc1nccc(c1)c1cc2cnccc2c(n1)N1CCNCC1" . "DIZACSOTRSXCHC-UHFFFAOYSA-N" . "InChI=1S/C23H28N6/c1-2-4-19(5-3-1)27-22-15-17(6-9-26-22)21-14-18-16-25-8-7-20(18)23(28-21)29-12-10-24-11-13-29/h6-9,14-16,19,24H,1-5,10-13H2,(H,26,27)" . "COc1nccnc1NS(=O)(=O)c1cccc(c1Cl)Cl" . "COc1nccnc1NS(=O)(=O)c1cccc(c1Cl)Cl" . "FLSMVCMSUNISFK-UHFFFAOYSA-N" . "InChI=1S/C11H9Cl2N3O3S/c1-19-11-10(14-5-6-15-11)16-20(17,18)8-4-2-3-7(12)9(8)13/h2-6H,1H3,(H,14,16)" . "OCC(C(=O)NC(C(=O)O)CO)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCC(=O)N1)CCC(=O)O)CCC(=O)N)CC(C)C)CCC(=O)O)CCCN=C(N)N)C)CC(C)C)CC(=O)N" . "OC[C@@H](C(=O)N[C@H](C(=O)O)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CCC(=O)O)CCC(=O)N)CC(C)C)CCC(=O)O)CCCN=C(N)N)C)CC(C)C)CC(=O)N" . "WZTIQQBMSJTRBR-WYKNNRPVSA-N" . "InChI=1S/C51H84N16O21/c1-22(2)17-30(47(84)65-32(19-36(53)71)48(85)66-33(20-68)49(86)67-34(21-69)50(87)88)63-40(77)24(5)57-41(78)25(7-6-16-56-51(54)55)59-43(80)29(11-15-39(75)76)62-46(83)31(18-23(3)4)64-45(82)27(8-12-35(52)70)60-44(81)28(10-14-38(73)74)61-42(79)26-9-13-37(72)58-26/h22-34,68-69H,6-21H2,1-5H3,(H2,52,70)(H2,53,71)(H,57,78)(H,58,72)(H,59,80)(H,60,81)(H,61,79)(H,62,83)(H,63,77)(H,64,82)(H,65,84)(H,66,85)(H,67,86)(H,73,74)(H,75,76)(H,87,88)(H4,54,55,56)/t24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1" . "CC(N=C(/N=C(/Nc1ccc(cc1)Cl)/N)N)C" . "CC(N=C(/N=C(/Nc1ccc(cc1)Cl)/N)N)C" . "SSOLNOMRVKKSON-UHFFFAOYSA-N" . "InChI=1S/C11H16ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H5,13,14,15,16,17)" . "OCC1(C)C(O)CCC2(C1CCC(=C)C2CC=C1C(O)COC1=O)C" . "OC[C@]1(C)[C@H](O)CC[C@@]2([C@@H]1CCC(=C)[C@H]2C/C=C/1/[C@H](O)COC1=O)C" . "BOJKULTULYSRAS-OTESTREVSA-N" . "InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1" . "O=C(N1CCN(CC1)Cc1ccccc1)CN(S(=O)(=O)c1ccccc1)c1cccc(c1C)Cl" . "O=C(N1CCN(CC1)Cc1ccccc1)CN(S(=O)(=O)c1ccccc1)c1cccc(c1C)Cl" . "QTYHUADZOPIUME-UHFFFAOYSA-N" . "InChI=1S/C26H28ClN3O3S/c1-21-24(27)13-8-14-25(21)30(34(32,33)23-11-6-3-7-12-23)20-26(31)29-17-15-28(16-18-29)19-22-9-4-2-5-10-22/h2-14H,15-20H2,1H3" . "OC(=O)CCN1C(=S)SC(=C2C(=O)NC3C2C=C(Cl)C=C3)C1=O" . "OC(=O)CCN1C(=S)S/C(=C/2/C(=O)NC3C2C=C(Cl)C=C3)/C1=O" . "NLLDCQPHRJHMSX-KHPPLWFESA-N" . "InChI=1S/C14H11ClN2O4S2/c15-6-1-2-8-7(5-6)10(12(20)16-8)11-13(21)17(14(22)23-11)4-3-9(18)19/h1-2,5,7-8H,3-4H2,(H,16,20)(H,18,19)/b11-10-" . "O=C(c1ccncc1)C=Cc1ccc2c(n1)cccc2" . "O=C(c1ccncc1)C=Cc1ccc2c(n1)cccc2" . "UJJUKZPBUMCSJZ-UHFFFAOYSA-N" . "InChI=1S/C17H12N2O/c20-17(14-9-11-18-12-10-14)8-7-15-6-5-13-3-1-2-4-16(13)19-15/h1-12H" . "O=C1CCc2c(N1)ccc(c2)Nc1cc(OC2CCOCC2)c(cc1Cl)[N+](=O)[O-]" . "O=C1CCc2c(N1)ccc(c2)Nc1cc(OC2CCOCC2)c(cc1Cl)[N+](=O)[O-]" . "RRELDGDKULRRDM-UHFFFAOYSA-N" . "InChI=1S/C20H20ClN3O5/c21-15-10-18(24(26)27)19(29-14-5-7-28-8-6-14)11-17(15)22-13-2-3-16-12(9-13)1-4-20(25)23-16/h2-3,9-11,14,22H,1,4-8H2,(H,23,25)" . "COc1ccc2c(c1)nc(nc2C)N=C(N)N" . "COc1ccc2c(c1)nc(nc2C)N=C(N)N" . "ZJBMSSBTCGJZEE-UHFFFAOYSA-N" . "InChI=1S/C11H13N5O/c1-6-8-4-3-7(17-2)5-9(8)15-11(14-6)16-10(12)13/h3-5H,1-2H3,(H4,12,13,14,15,16)" . "Cc1ccc(cc1)C(=O)NNC(=NS(=O)(=O)c1ccc(cc1)n1nc(cc1c1cccs1)C(F)(F)F)N1CCCC1" . "Cc1ccc(cc1)C(=O)NN/C(=N/S(=O)(=O)c1ccc(cc1)n1nc(cc1c1cccs1)C(F)(F)F)/N1CCCC1" . "FPHDAMLVFFWTQL-UHFFFAOYSA-N" . "InChI=1S/C27H25F3N6O3S2/c1-18-6-8-19(9-7-18)25(37)31-32-26(35-14-2-3-15-35)34-41(38,39)21-12-10-20(11-13-21)36-22(23-5-4-16-40-23)17-24(33-36)27(28,29)30/h4-13,16-17H,2-3,14-15H2,1H3,(H,31,37)(H,32,34)" . "N#Cc1c(ccc2c1ccc1c2cccc1)Cc1cc(C#N)c2c(c1)c1ccccc1cc2" . "N#Cc1c(ccc2c1ccc1c2cccc1)Cc1cc(C#N)c2c(c1)c1ccccc1cc2" . "IXJJCXATJSXNJM-UHFFFAOYSA-N" . "InChI=1S/C31H18N2/c32-18-24-16-20(17-30-26-8-4-2-6-22(26)9-12-27(24)30)15-23-11-14-28-25-7-3-1-5-21(25)10-13-29(28)31(23)19-33/h1-14,16-17H,15H2" . "CCC1C(COc2nccc3c2cc(OC)c(c3)C(=O)N)NC(=O)C1F" . "CC[C@H]1[C@@H](COc2nccc3c2cc(OC)c(c3)C(=O)N)NC(=O)[C@H]1F" . "JKDGKIBAOAFRPJ-ZBINZKHDSA-N" . "InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1" . "COc1cc2c(OCC3NC(=O)C(C3C)F)nccc2cc1C(=O)N" . "COc1cc2c(OC[C@H]3NC(=O)[C@H]([C@H]3C)F)nccc2cc1C(=O)N" . "GISRWBROCYNDME-PELMWDNLSA-N" . "InChI=1S/C17H18FN3O4/c1-8-12(21-16(23)14(8)18)7-25-17-10-6-13(24-2)11(15(19)22)5-9(10)3-4-20-17/h3-6,8,12,14H,7H2,1-2H3,(H2,19,22)(H,21,23)/t8-,12+,14-/m0/s1" . "ONC(=O)CCCCCCNC(=O)c1noc(c1)c1ccc(cc1)NC(=O)OC(C)(C)C" . "ONC(=O)CCCCCCNC(=O)c1noc(c1)c1ccc(cc1)NC(=O)OC(C)(C)C" . "WWGBHDIHIVGYLZ-UHFFFAOYSA-N" . "InChI=1S/C22H30N4O6/c1-22(2,3)31-21(29)24-16-11-9-15(10-12-16)18-14-17(26-32-18)20(28)23-13-7-5-4-6-8-19(27)25-30/h9-12,14,30H,4-8,13H2,1-3H3,(H,23,28)(H,24,29)(H,25,27)" . "ONC(=O)CCCCCCN(c1ccccn1)c1ccccn1" . "ONC(=O)CCCCCCN(c1ccccn1)c1ccccn1" . "QKTORDWLHYWRJF-UHFFFAOYSA-N" . "InChI=1S/C17H22N4O2/c22-17(20-23)11-3-1-2-8-14-21(15-9-4-6-12-18-15)16-10-5-7-13-19-16/h4-7,9-10,12-13,23H,1-3,8,11,14H2,(H,20,22)" . "CCOc1cc2ncc(c(c2cc1NC(=O)C=CC1CCCN1C)Nc1ccc(c(c1)Cl)OCc1ccccn1)C#N" . "CCOc1cc2ncc(c(c2cc1NC(=O)/C=C/[C@H]1CCCN1C)Nc1ccc(c(c1)Cl)OCc1ccccn1)C#N" . "SADXACCFNXBCFY-IYNHSRRRSA-N" . "InChI=1S/C32H31ClN6O3/c1-3-41-30-17-27-25(16-28(30)38-31(40)12-10-24-8-6-14-39(24)2)32(21(18-34)19-36-27)37-22-9-11-29(26(33)15-22)42-20-23-7-4-5-13-35-23/h4-5,7,9-13,15-17,19,24H,3,6,8,14,20H2,1-2H3,(H,36,37)(H,38,40)/b12-10+/t24-/m1/s1" . "OCc1cc(ccc1OCC1CCOCC1)S(=O)(=O)N(c1ccc(cc1)CC)CC(C)C" . "OCc1cc(ccc1OCC1CCOCC1)S(=O)(=O)N(c1ccc(cc1)CC)CC(C)C" . "LZLBRISQTJVZNP-UHFFFAOYSA-N" . "InChI=1S/C25H35NO5S/c1-4-20-5-7-23(8-6-20)26(16-19(2)3)32(28,29)24-9-10-25(22(15-24)17-27)31-18-21-11-13-30-14-12-21/h5-10,15,19,21,27H,4,11-14,16-18H2,1-3H3" . "CC1CCC(S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(=O)C)c1ccccc1" . "C[C@H]1CC[C@@H](S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(=O)C)c1ccccc1" . "WLCIIQPUMOJJOF-MHECFPHRSA-N" . "InChI=1S/C24H30FN3O3S/c1-18-8-11-24(20-6-4-3-5-7-20)32(30,31)28(18)17-21-9-10-22(16-23(21)25)27-14-12-26(13-15-27)19(2)29/h3-7,9-10,16,18,24H,8,11-15,17H2,1-2H3/t18-,24+/m0/s1" . "Nc1nc(nc2c1nnn2CC1OCCN(C1)Cc1nccs1)C(F)(F)F" . "Nc1nc(nc2c1nnn2C[C@@H]1OCCN(C1)Cc1nccs1)C(F)(F)F" . "VNLPYEMGHGDRRZ-MRVPVSSYSA-N" . "InChI=1S/C14H15F3N8OS/c15-14(16,17)13-20-11(18)10-12(21-13)25(23-22-10)6-8-5-24(2-3-26-8)7-9-19-1-4-27-9/h1,4,8H,2-3,5-7H2,(H2,18,20,21)/t8-/m1/s1" . "CC1SCC2(O1)CN1CCC2CC1" . "CC1SCC2(O1)CN1CCC2CC1" . "WUTYZMFRCNBCHQ-UHFFFAOYSA-N" . "InChI=1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3" . "CCc1c(C(=O)C(=O)N)c2c(n1Cc1ccccc1)cccc2OCC(=O)O" . "CCc1c(C(=O)C(=O)N)c2c(n1Cc1ccccc1)cccc2OCC(=O)O" . "BHLXTPHDSZUFHR-UHFFFAOYSA-N" . "InChI=1S/C21H20N2O5/c1-2-14-19(20(26)21(22)27)18-15(9-6-10-16(18)28-12-17(24)25)23(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,27)(H,24,25)" . "CCCn1c(=NC(=O)c2cccc(c2)C(=O)N)[nH]c2c1cccc2" . "CCCn1/c(=N/C(=O)c2cccc(c2)C(=O)N)/[nH]c2c1cccc2" . "UOZVVPXKJGOFIG-UHFFFAOYSA-N" . "InChI=1S/C18H18N4O2/c1-2-10-22-15-9-4-3-8-14(15)20-18(22)21-17(24)13-7-5-6-12(11-13)16(19)23/h3-9,11H,2,10H2,1H3,(H2,19,23)(H,20,21,24)" . "Fc1cc2CCOc2c(c1)C(CC(C(F)(F)F)(CNc1cccc2c1ccc(n2)C)O)(C)C" . "Fc1cc2CCOc2c(c1)C(C[C@](C(F)(F)F)(CNc1cccc2c1ccc(n2)C)O)(C)C" . "VJGFOYBQOIPQFY-XMMPIXPASA-N" . "InChI=1S/C25H26F4N2O2/c1-15-7-8-18-20(5-4-6-21(18)31-15)30-14-24(32,25(27,28)29)13-23(2,3)19-12-17(26)11-16-9-10-33-22(16)19/h4-8,11-12,30,32H,9-10,13-14H2,1-3H3/t24-/m1/s1" . "CCN(C(=O)c1c(Cl)cccc1Cl)CC(C(F)(F)F)(CNC(=O)c1cnn(c1N)c1ccc(cc1)F)O" . "CCN(C(=O)c1c(Cl)cccc1Cl)C[C@](C(F)(F)F)(CNC(=O)c1cnn(c1N)c1ccc(cc1)F)O" . "LKQMULLPLYLIGW-QFIPXVFZSA-N" . "InChI=1S/C23H21Cl2F4N5O3/c1-2-33(21(36)18-16(24)4-3-5-17(18)25)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(26)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35)/t22-/m0/s1" . "Clc1nc2n[nH]nc2nc1Cl" . "Clc1nc2n[nH]nc2nc1Cl" . "RKHFIGLWZHVDCG-UHFFFAOYSA-N" . "InChI=1S/C4HCl2N5/c5-1-2(6)8-4-3(7-1)9-11-10-4/h(H,7,8,9,10,11)" . "COc1ccccc1Oc1c(OCCC(=O)Nc2c(C)cccc2C)nc(nc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccn1" . "COc1ccccc1Oc1c(OCCC(=O)Nc2c(C)cccc2C)nc(nc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccn1" . "MTNFANNLCUMCNB-UHFFFAOYSA-N" . "InChI=1S/C36H38N6O6S/c1-23-11-9-12-24(2)30(23)39-29(43)19-22-47-35-31(48-28-14-8-7-13-27(28)46-6)32(40-34(41-35)33-37-20-10-21-38-33)42-49(44,45)26-17-15-25(16-18-26)36(3,4)5/h7-18,20-21H,19,22H2,1-6H3,(H,39,43)(H,40,41,42)" . "O=C(c1ccc2c(c1)CCC1C2(CCC(C1)(O)C(F)(F)F)Cc1ccccc1)Nc1cccnc1C" . "O=C(c1ccc2c(c1)CC[C@H]1[C@]2(CC[C@](C1)(O)C(F)(F)F)Cc1ccccc1)Nc1cccnc1C" . "QJJBNCHSWFGXML-KEKPKEOLSA-N" . "InChI=1S/C29H29F3N2O2/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(36,29(30,31)32)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23,36H,9,11,13-14,17-18H2,1H3,(H,34,35)/t23-,27+,28-/m1/s1" . "O=C(c1ccc2c(c1)CCC1C2(CCC(C1)(OP(=O)(O)O)C(F)(F)F)Cc1ccccc1)Nc1cccnc1C" . "O=C(c1ccc2c(c1)CC[C@H]1[C@]2(CC[C@](C1)(OP(=O)(O)O)C(F)(F)F)Cc1ccccc1)Nc1cccnc1C" . "BVXLAHSJXXSWFF-KEKPKEOLSA-N" . "InChI=1S/C29H30F3N2O5P/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(29(30,31)32,39-40(36,37)38)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23H,9,11,13-14,17-18H2,1H3,(H,34,35)(H2,36,37,38)/t23-,27+,28-/m1/s1" . "OCC1N2CCCCN(CC2C1c1ccc(cc1)C#Cc1ccccc1)C(=O)Nc1ccc(cc1)OC" . "OC[C@H]1N2CCCCN(C[C@H]2[C@H]1c1ccc(cc1)C#Cc1ccccc1)C(=O)Nc1ccc(cc1)OC" . "OJOYTIQMDFICSJ-FRXPANAUSA-N" . "InChI=1S/C31H33N3O3/c1-37-27-17-15-26(16-18-27)32-31(36)33-19-5-6-20-34-28(21-33)30(29(34)22-35)25-13-11-24(12-14-25)10-9-23-7-3-2-4-8-23/h2-4,7-8,11-18,28-30,35H,5-6,19-22H2,1H3,(H,32,36)/t28-,29+,30+/m0/s1" . "Cn1nc(c(c1C)Cc1nnc(o1)c1sc2c(c1OC1CCNCC1)cccc2)C" . "Cn1nc(c(c1C)Cc1nnc(o1)c1sc2c(c1OC1CCNCC1)cccc2)C" . "XZORQADPEUSNQJ-UHFFFAOYSA-N" . "InChI=1S/C22H25N5O2S/c1-13-17(14(2)27(3)26-13)12-19-24-25-22(29-19)21-20(28-15-8-10-23-11-9-15)16-6-4-5-7-18(16)30-21/h4-7,15,23H,8-12H2,1-3H3" . "OCc1ccc(cc1)c1nc(N)nc2c1c(C#N)c[nH]2" . "OCc1ccc(cc1)c1nc(N)nc2c1c(C#N)c[nH]2" . "BJQSJIPGTMBHKF-UHFFFAOYSA-N" . "InChI=1S/C14H11N5O/c15-5-10-6-17-13-11(10)12(18-14(16)19-13)9-3-1-8(7-20)2-4-9/h1-4,6,20H,7H2,(H3,16,17,18,19)" . "CNC(=O)c1c(oc2c1c(CN1CCCCC1)c(cc2)O)c1ccc(cc1)O" . "CNC(=O)c1c(oc2c1c(CN1CCCCC1)c(cc2)O)c1ccc(cc1)O" . "PQGCMFVNJWTUFH-UHFFFAOYSA-N" . "InChI=1S/C22H24N2O4/c1-23-22(27)20-19-16(13-24-11-3-2-4-12-24)17(26)9-10-18(19)28-21(20)14-5-7-15(25)8-6-14/h5-10,25-26H,2-4,11-13H2,1H3,(H,23,27)" . "Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2c(n1)nc(n2)C(F)(F)C" . "Cc1cc(Nc2ccc(cc2)S(F)(F)(F)(F)F)n2c(n1)nc(n2)C(F)(F)C" . "OIZSVTOIBNSVOS-UHFFFAOYSA-N" . "InChI=1S/C14H12F7N5S/c1-8-7-11(26-13(22-8)24-12(25-26)14(2,15)16)23-9-3-5-10(6-4-9)27(17,18,19,20)21/h3-7,23H,1-2H3" . "CCC(C(=O)N(Cc1ccccc1)O)(C)C" . "CCC(C(=O)N(Cc1ccccc1)O)(C)C" . "AVYVHIKSFXVDBG-UHFFFAOYSA-N" . "InChI=1S/C13H19NO2/c1-4-13(2,3)12(15)14(16)10-11-8-6-5-7-9-11/h5-9,16H,4,10H2,1-3H3" . "Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl" . "Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl" . "HGUFODBRKLSHSI-UHFFFAOYSA-N" . "InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H" . "NC1=NC2(CO1)c1cc(C#CC3(C)COC3)cnc1Oc1c2cc(cc1)c1cccnc1F" . "NC1=N[C@]2(CO1)c1cc(C#CC3(C)COC3)cnc1Oc1c2cc(cc1)c1cccnc1F" . "GKKFBOARESVMBW-VWLOTQADSA-N" . "InChI=1S/C25H19FN4O3/c1-24(12-31-13-24)7-6-15-9-19-22(29-11-15)33-20-5-4-16(17-3-2-8-28-21(17)26)10-18(20)25(19)14-32-23(27)30-25/h2-5,8-11H,12-14H2,1H3,(H2,27,30)/t25-/m0/s1" . "NCC1OC(Cc2c1ccc(c2O)O)C12CC3CC(C2)CC(C1)C3" . "NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)C12CC3CC(C2)CC(C1)C3" . "QLJOSZATCBCBDR-DFKUFRTHSA-N" . "InChI=1S/C20H27NO3/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,11-13,17-18,22-23H,3-10,21H2/t11?,12?,13?,17-,18-,20?/m0/s1" . "NC(=O)C(Nc1ccc2c(c1)OCCn1c2nc(c1)N1C(=O)OCC1C(F)F)C" . "NC(=O)[C@@H](Nc1ccc2c(c1)OCCn1c2nc(c1)N1C(=O)OC[C@H]1C(F)F)C" . "SGEUNORSOZVTOL-CABZTGNLSA-N" . "InChI=1S/C18H19F2N5O4/c1-9(16(21)26)22-10-2-3-11-13(6-10)28-5-4-24-7-14(23-17(11)24)25-12(15(19)20)8-29-18(25)27/h2-3,6-7,9,12,15,22H,4-5,8H2,1H3,(H2,21,26)/t9-,12-/m0/s1" . "OC(CCc1ccccc1)CCC1C(O)CC(C1CC=CCCCC(=O)OCCCCO[N+](=O)[O-])O" . "O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C/CCCC(=O)OCCCCO[N+](=O)[O-])O" . "LOVMMUBRQUFEAH-UIEAZXIASA-N" . "InChI=1S/C27H41NO8/c29-22(15-14-21-10-4-3-5-11-21)16-17-24-23(25(30)20-26(24)31)12-6-1-2-7-13-27(32)35-18-8-9-19-36-28(33)34/h1,3-6,10-11,22-26,29-31H,2,7-9,12-20H2/b6-1-/t22-,23+,24+,25-,26+/m0/s1" . "OCc1cccc(c1)c1ccc(c(n1)C(=O)Nc1c(C)ccc(c1C)C(=O)O)C" . "OCc1cccc(c1)c1ccc(c(n1)C(=O)Nc1c(C)ccc(c1C)C(=O)O)C" . "WRBLOVAXQYYLFM-UHFFFAOYSA-N" . "InChI=1S/C23H22N2O4/c1-13-7-9-18(23(28)29)15(3)20(13)25-22(27)21-14(2)8-10-19(24-21)17-6-4-5-16(11-17)12-26/h4-11,26H,12H2,1-3H3,(H,25,27)(H,28,29)" . "NC1CC(COC1c1cc(F)ccc1F)N1CC2=C(C1)CS(=O)(=O)C2" . "N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1CC2=C(C1)CS(=O)(=O)C2" . "ROFOCLOPXHFEIE-XOKHGSTOSA-N" . "InChI=1S/C17H20F2N2O3S/c18-12-1-2-15(19)14(3-12)17-16(20)4-13(7-24-17)21-5-10-8-25(22,23)9-11(10)6-21/h1-3,13,16-17H,4-9,20H2/t13-,16+,17-/m1/s1" . "CN1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n1c(c2)C(=O)NCC21CCCCC2" . "CN1CCN(CC1)c1ccc(nc1)Nc1ncc2c(n1)n1c(c2)C(=O)NCC21CCCCC2" . "PDGKHKMBHVFCMG-UHFFFAOYSA-N" . "InChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)" . "CCOC(=O)Cn1nc(cc1c1ccc(cc1)c1cccc(c1)S(=O)(=O)C)C(F)(F)F" . "CCOC(=O)Cn1nc(cc1c1ccc(cc1)c1cccc(c1)S(=O)(=O)C)C(F)(F)F" . "ZUMNJDGBYXHASJ-UHFFFAOYSA-N" . "InChI=1S/C21H19F3N2O4S/c1-3-30-20(27)13-26-18(12-19(25-26)21(22,23)24)15-9-7-14(8-10-15)16-5-4-6-17(11-16)31(2,28)29/h4-12H,3,13H2,1-2H3" . "ON=c1cc(oc2c1cc(CCCN1CCOCC1)cc2)c1ncc2c(c1)scc2" . "ON=c1cc(oc2c1cc(CCCN1CCOCC1)cc2)c1ncc2c(c1)scc2" . "ZTEDNASHAWNBKQ-UHFFFAOYSA-N" . "InChI=1S/C23H23N3O3S/c27-25-19-13-22(20-14-23-17(15-24-20)5-11-30-23)29-21-4-3-16(12-18(19)21)2-1-6-26-7-9-28-10-8-26/h3-5,11-15,27H,1-2,6-10H2" . "CCCc1nc(ccc1C=CC(=O)NC(c1cc(F)c(c(c1)F)NS(=O)(=O)C)C)C(F)(F)F" . "CCCc1nc(ccc1/C=C/C(=O)N[C@@H](c1cc(F)c(c(c1)F)NS(=O)(=O)C)C)C(F)(F)F" . "UKGJZDSUJSPAJL-YPUOHESYSA-N" . "InChI=1S/C21H22F5N3O3S/c1-4-5-17-13(6-8-18(28-17)21(24,25)26)7-9-19(30)27-12(2)14-10-15(22)20(16(23)11-14)29-33(3,31)32/h6-12,29H,4-5H2,1-3H3,(H,27,30)/b9-7+/t12-/m1/s1" . "CC(CC(=O)Nc1cncc(c1)c1ccc2c(c1)c(n[nH]2)c1nc2c([nH]1)c(cnc2)c1cccc(c1)F)C" . "CC(CC(=O)Nc1cncc(c1)c1ccc2c(c1)c(n[nH]2)c1nc2c([nH]1)c(cnc2)c1cccc(c1)F)C" . "AQDWDWAYVBQMAM-UHFFFAOYSA-N" . "InChI=1S/C29H24FN7O/c1-16(2)8-26(38)33-21-10-19(12-31-13-21)17-6-7-24-22(11-17)28(37-36-24)29-34-25-15-32-14-23(27(25)35-29)18-4-3-5-20(30)9-18/h3-7,9-16H,8H2,1-2H3,(H,33,38)(H,34,35)(H,36,37)" . "NC(C(=O)O)Cc1ccc(cc1)Cl" . "NC(C(=O)O)Cc1ccc(cc1)Cl" . "NIGWMJHCCYYCSF-UHFFFAOYSA-N" . "InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)" . "N#CCC(=O)N1CC(C21CCN(C2)c1ncnc2c1cc[nH]2)C" . "N#CCC(=O)N1C[C@@H]([C@]21CCN(C2)c1ncnc2c1cc[nH]2)C" . "LOWWYYZBZNSPDT-ZBEGNZNMSA-N" . "InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1" . "O=C1CCC(C(=O)N1)N1Cc2c(C1=O)cccc2OCc1ccc(cc1)CN1CCOCC1" . "O=C1CC[C@@H](C(=O)N1)N1Cc2c(C1=O)cccc2OCc1ccc(cc1)CN1CCOCC1" . "IXZOHGPZAQLIBH-NRFANRHFSA-N" . "InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)/t21-/m0/s1" . "Cn1nc(c(c1)c1ccncc1)c1ccc(cc1)OCc1ccc2c(n1)cccc2" . "Cn1nc(c(c1)c1ccncc1)c1ccc(cc1)OCc1ccc2c(n1)cccc2" . "AZEXWHKOMMASPA-UHFFFAOYSA-N" . "InChI=1S/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3" . "OCC(=CCCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)C" . "OC/C(=C/CCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)/C" . "IPOCPVGCROEFJO-NTEUORMPSA-N" . "InChI=1S/C18H33O8P/c1-14(11-19)9-8-10-27(22,25-12-23-15(20)17(2,3)4)26-13-24-16(21)18(5,6)7/h9,19H,8,10-13H2,1-7H3/b14-9+" . "S=C=NCCCCCCC(c1cc(O)c2c(c1)OC(C1C2CC(CO)CC1)(C)C)(C)C" . "S=C=NCCCCCCC(c1cc(O)c2c(c1)OC([C@H]1[C@H]2C[C@H](CO)CC1)(C)C)(C)C" . "JCIYJYHFBBXSBF-HMXCVIKNSA-N" . "InChI=1S/C26H39NO3S/c1-25(2,11-7-5-6-8-12-27-17-31)19-14-22(29)24-20-13-18(16-28)9-10-21(20)26(3,4)30-23(24)15-19/h14-15,18,20-21,28-29H,5-13,16H2,1-4H3/t18-,20-,21-/m1/s1" . "BrCCCCCCC(c1cc(O)c2c(c1)OC(C1C2CC(=CC1)C)(C)C)(C)C" . "BrCCCCCCC(c1cc(O)c2c(c1)OC([C@H]1[C@H]2CC(=CC1)C)(C)C)(C)C" . "SZDVFUZKFPGYEK-WOJBJXKFSA-N" . "InChI=1S/C25H37BrO2/c1-17-10-11-20-19(14-17)23-21(27)15-18(16-22(23)28-25(20,4)5)24(2,3)12-8-6-7-9-13-26/h10,15-16,19-20,27H,6-9,11-14H2,1-5H3/t19-,20-/m1/s1" . "NCCCn1c2ccccc2c(=O)c2c1c(C)c(C)cc2" . "NCCCn1c2ccccc2c(=O)c2c1c(C)c(C)cc2" . "CFPDEQBPNROZDC-UHFFFAOYSA-N" . "InChI=1S/C18H20N2O/c1-12-8-9-15-17(13(12)2)20(11-5-10-19)16-7-4-3-6-14(16)18(15)21/h3-4,6-9H,5,10-11,19H2,1-2H3" . "CSc1nc(c(n1C)c1ccnc(c1)NC(=O)C)c1ccc(cc1)F" . "CSc1nc(c(n1C)c1ccnc(c1)NC(=O)C)c1ccc(cc1)F" . "CJKGORBZVWDVRY-UHFFFAOYSA-N" . "InChI=1S/C18H17FN4OS/c1-11(24)21-15-10-13(8-9-20-15)17-16(22-18(25-3)23(17)2)12-4-6-14(19)7-5-12/h4-10H,1-3H3,(H,20,21,24)" . "CCOC(=O)c1cccc(c1)NC(=O)CCCCCCCSc1nnc(n1C)Cc1nn(C)c(=O)c2c1cccc2" . "CCOC(=O)c1cccc(c1)NC(=O)CCCCCCCSc1nnc(n1C)Cc1nn(C)c(=O)c2c1cccc2" . "GWNFQAKCJYEJEW-UHFFFAOYSA-N" . "InChI=1S/C30H36N6O4S/c1-4-40-29(39)21-13-12-14-22(19-21)31-27(37)17-8-6-5-7-11-18-41-30-33-32-26(35(30)2)20-25-23-15-9-10-16-24(23)28(38)36(3)34-25/h9-10,12-16,19H,4-8,11,17-18,20H2,1-3H3,(H,31,37)" . "N#Cc1cccc(c1)COc1cc(OCc2cccc(c2C)c2ccc3c(c2)OCCO3)c(cc1CN1CC(CC1C(=O)O)O)Cl" . "N#Cc1cccc(c1)COc1cc(OCc2cccc(c2C)c2ccc3c(c2)OCCO3)c(cc1CN1C[C@@H](C[C@@H]1C(=O)O)O)Cl" . "QBXVXKRWOVBUDB-GRKNLSHJSA-N" . "InChI=1S/C36H33ClN2O7/c1-22-26(6-3-7-29(22)25-8-9-32-35(14-25)44-11-10-43-32)21-46-34-16-33(45-20-24-5-2-4-23(12-24)17-38)27(13-30(34)37)18-39-19-28(40)15-31(39)36(41)42/h2-9,12-14,16,28,31,40H,10-11,15,18-21H2,1H3,(H,41,42)/t28-,31-/m1/s1" . "COc1nc(OCc2cccc(c2C)c2ccccc2)ccc1CNCCNC(=O)C" . "COc1nc(OCc2cccc(c2C)c2ccccc2)ccc1CNCCNC(=O)C" . "JEDPSOYOYVELLZ-UHFFFAOYSA-N" . "InChI=1S/C25H29N3O3/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29/h4-13,26H,14-17H2,1-3H3,(H,27,29)" . "ClC(P(=O)(O)O)(P(=O)(O)O)Cl" . "ClC(P(=O)(O)O)(P(=O)(O)O)Cl" . "ACSIXWWBWUQEHA-UHFFFAOYSA-N" . "InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)" . "CN(C(=O)n1cnc(c1)c1cccnc1)C1CCCCC1" . "CN(C(=O)n1cnc(c1)c1cccnc1)C1CCCCC1" . "DWCWWJONKWHPDD-UHFFFAOYSA-N" . "InChI=1S/C16H20N4O/c1-19(14-7-3-2-4-8-14)16(21)20-11-15(18-12-20)13-6-5-9-17-10-13/h5-6,9-12,14H,2-4,7-8H2,1H3" . "COc1ccc(c(c1)C(=O)Nc1ccc(cn1)Cl)NC(=O)c1ccc(cc1)C(=N)N(C)C" . "COc1ccc(c(c1)C(=O)Nc1ccc(cn1)Cl)NC(=O)c1ccc(cc1)C(=N)N(C)C" . "XHOLNRLADUSQLD-UHFFFAOYSA-N" . "InChI=1S/C23H22ClN5O3/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31)" . "COc1cc2c(ccnc2cc1OCC1(N)CC1)Oc1ccc2c(c1F)cc([nH]2)C" . "COc1cc2c(ccnc2cc1OCC1(N)CC1)Oc1ccc2c(c1F)cc([nH]2)C" . "KSMZEXLVHXZPEF-UHFFFAOYSA-N" . "InChI=1S/C23H22FN3O3/c1-13-9-15-16(27-13)3-4-19(22(15)24)30-18-5-8-26-17-11-21(20(28-2)10-14(17)18)29-12-23(25)6-7-23/h3-5,8-11,27H,6-7,12,25H2,1-2H3" . "NC1CCCCC1Nc1nc(c2cnn(c2)C)c2c(c1F)CNC2=O" . "N[C@H]1CCCC[C@H]1Nc1nc(c2cnn(c2)C)c2c(c1F)CNC2=O" . "MJHOMTRKVMKCNE-NWDGAFQWSA-N" . "InChI=1S/C17H21FN6O/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19/h6,8,11-12H,2-5,7,19H2,1H3,(H,20,25)(H,22,23)/t11-,12+/m0/s1" . "[O-][N+](=O)OC1COC2C1OCC2O" . "[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O" . "YWXYYJSYQOXTPL-SLPGGIOYSA-N" . "InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5+,6+/m0/s1" . "CCOc1cc(ccc1C1=NC(C(N1C(=O)N1CCN(CC1)CCCS(=O)(=O)C)(C)c1ccc(cc1)Cl)(C)c1ccc(cc1)Cl)C(C)(C)C" . "CCOc1cc(ccc1C1=N[C@@]([C@@](N1C(=O)N1CCN(CC1)CCCS(=O)(=O)C)(C)c1ccc(cc1)Cl)(C)c1ccc(cc1)Cl)C(C)(C)C" . "QBGKPEROWUKSBK-QPPIDDCLSA-N" . "InChI=1S/C38H48Cl2N4O4S/c1-8-48-33-26-29(36(2,3)4)14-19-32(33)34-41-37(5,27-10-15-30(39)16-11-27)38(6,28-12-17-31(40)18-13-28)44(34)35(45)43-23-21-42(22-24-43)20-9-25-49(7,46)47/h10-19,26H,8-9,20-25H2,1-7H3/t37-,38+/m0/s1" . "CN(CCCNC(=O)c1ccc(cc1)c1cc(O)c2c(c1)cccn2)C" . "CN(CCCNC(=O)c1ccc(cc1)c1cc(O)c2c(c1)cccn2)C" . "QDBVSOZTVKXUES-UHFFFAOYSA-N" . "InChI=1S/C21H23N3O2/c1-24(2)12-4-11-23-21(26)16-8-6-15(7-9-16)18-13-17-5-3-10-22-20(17)19(25)14-18/h3,5-10,13-14,25H,4,11-12H2,1-2H3,(H,23,26)" . "O=c1ccc2c(o1)cc1c(c2OCCCCc2ccccc2)cco1" . "O=c1ccc2c(o1)cc1c(c2OCCCCc2ccccc2)cco1" . "JJAWGNIQEOFURP-UHFFFAOYSA-N" . "InChI=1S/C21H18O4/c22-20-10-9-16-19(25-20)14-18-17(11-13-23-18)21(16)24-12-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-11,13-14H,4-5,8,12H2" . "COc1cc(OC)ccc1c1c[nH]c2c1c(ccn2)c1cscc1" . "COc1cc(OC)ccc1c1c[nH]c2c1c(ccn2)c1cscc1" . "WEHOIIGXTMKVRG-UHFFFAOYSA-N" . "InChI=1S/C19H16N2O2S/c1-22-13-3-4-15(17(9-13)23-2)16-10-21-19-18(16)14(5-7-20-19)12-6-8-24-11-12/h3-11H,1-2H3,(H,20,21)" . "N#Cc1cc(ccc1N1CCCC1)c1ccnc(n1)Nc1ccc2c(c1)CC(=O)N2" . "N#Cc1cc(ccc1N1CCCC1)c1ccnc(n1)Nc1ccc2c(c1)CC(=O)N2" . "DHPSFJYFPJRCTN-UHFFFAOYSA-N" . "InChI=1S/C23H20N6O/c24-14-17-11-15(3-6-21(17)29-9-1-2-10-29)20-7-8-25-23(28-20)26-18-4-5-19-16(12-18)13-22(30)27-19/h3-8,11-12H,1-2,9-10,13H2,(H,27,30)(H,25,26,28)" . "COc1ccc(cc1)N1N=CC2C1N=C(N=C2)Nc1cc(OC)c(c(c1)OCCCN1CCN(CC1)C)OC" . "COc1ccc(cc1)N1N=CC2C1N=C(N=C2)Nc1cc(OC)c(c(c1)OCCCN1CCN(CC1)C)OC" . "DRSHXJFUUPIBHX-UHFFFAOYSA-N" . "InChI=1S/C28H37N7O4/c1-33-11-13-34(14-12-33)10-5-15-39-25-17-21(16-24(37-3)26(25)38-4)31-28-29-18-20-19-30-35(27(20)32-28)22-6-8-23(36-2)9-7-22/h6-9,16-20,27H,5,10-15H2,1-4H3,(H,31,32)" . "N#Cc1cc(ccc1N1CCCC1)c1ccnc(n1)Nc1cccc(c1)NC(=O)N1CCCC1" . "N#Cc1cc(ccc1N1CCCC1)c1ccnc(n1)Nc1cccc(c1)NC(=O)N1CCCC1" . "MQAQKNLCUSPSAF-UHFFFAOYSA-N" . "InChI=1S/C26H27N7O/c27-18-20-16-19(8-9-24(20)32-12-1-2-13-32)23-10-11-28-25(31-23)29-21-6-5-7-22(17-21)30-26(34)33-14-3-4-15-33/h5-11,16-17H,1-4,12-15H2,(H,30,34)(H,28,29,31)" . "COc1ccc(cc1)c1ccc(cc1)C1NC2C(=N1)C(=C(C=N2)C(=O)N)NNCCCNC(=O)C1CCCCC1" . "COc1ccc(cc1)c1ccc(cc1)C1NC2C(=N1)C(=C(C=N2)C(=O)N)NNCCCNC(=O)C1CCCCC1" . "UMLDEMVOMRDOLS-UHFFFAOYSA-N" . "InChI=1S/C30H37N7O3/c1-40-23-14-12-20(13-15-23)19-8-10-21(11-9-19)28-35-26-25(24(27(31)38)18-33-29(26)36-28)37-34-17-5-16-32-30(39)22-6-3-2-4-7-22/h8-15,18,22,28-29,34,36-37H,2-7,16-17H2,1H3,(H2,31,38)(H,32,39)" . "CN(C(=O)c1ccc(cc1C(F)(F)F)[N+](=O)[O-])C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C" . "CN(C(=O)c1ccc(cc1C(F)(F)F)[N+](=O)[O-])C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C" . "ZDEZQXNVPSUJHK-UHFFFAOYSA-N" . "InChI=1S/C26H24F3N7O3/c1-33(25(37)20-8-7-17(36(38)39)15-21(20)26(27,28)29)16-10-13-35(14-11-16)24-19-6-4-3-5-18(19)23(31-32-24)22-9-12-30-34(22)2/h3-9,12,15-16H,10-11,13-14H2,1-2H3" . "OC(=O)CCNC(=O)c1ccc(cc1)C(C1CC(C1)(C)C)Nc1ccc(nc1)n1cnc(c1)C(F)(F)F" . "OC(=O)CCNC(=O)c1ccc(cc1)[C@@H](C1CC(C1)(C)C)Nc1ccc(nc1)n1cnc(c1)C(F)(F)F" . "MYZIDYJMNWEJMC-QHCPKHFHSA-N" . "InChI=1S/C26H28F3N5O3/c1-25(2)11-18(12-25)23(16-3-5-17(6-4-16)24(37)30-10-9-22(35)36)33-19-7-8-21(31-13-19)34-14-20(32-15-34)26(27,28)29/h3-8,13-15,18,23,33H,9-12H2,1-2H3,(H,30,37)(H,35,36)/t23-/m0/s1" . "O=C(N(c1ccc(cc1)C1CCCCC1)Cc1ccc(cc1)C(=O)Nc1n[nH]nn1)Nc1cccc(c1)S(=O)(=O)C" . "O=C(N(c1ccc(cc1)C1CCCCC1)Cc1ccc(cc1)C(=O)Nc1n[nH]nn1)Nc1cccc(c1)S(=O)(=O)C" . "PPTKULJUDJWTSA-UHFFFAOYSA-N" . "InChI=1S/C29H31N7O4S/c1-41(39,40)26-9-5-8-24(18-26)30-29(38)36(25-16-14-22(15-17-25)21-6-3-2-4-7-21)19-20-10-12-23(13-11-20)27(37)31-28-32-34-35-33-28/h5,8-18,21H,2-4,6-7,19H2,1H3,(H,30,38)(H2,31,32,33,34,35,37)" . "CCC(=O)C1CCCN1C(=O)C(N(C(=O)C(NC(=O)C1CSC(=N1)C1CC(CN1C(=O)C(N(C(=O)C(NC(=O)C(C)(C)C)C)C)Cc1ccc(c(c1)Br)O)C)CC(C)C)C)Cc1ccccc1" . "CCC(=O)[C@@H]1CCCN1C(=O)[C@@H](N(C(=O)[C@H](NC(=O)[C@H]1CSC(=N1)[C@@H]1C[C@@H](CN1C(=O)[C@H](N(C(=O)[C@@H](NC(=O)C(C)(C)C)C)C)Cc1ccc(c(c1)Br)O)C)CC(C)C)C)Cc1ccccc1" . "ADHYVMBQQIBLSN-WQGIEDEVSA-N" . "InChI=1S/C50H70BrN7O8S/c1-11-41(59)37-18-15-21-57(37)47(64)39(25-32-16-13-12-14-17-32)56(10)46(63)35(22-29(2)3)53-43(61)36-28-67-44(54-36)38-23-30(4)27-58(38)48(65)40(26-33-19-20-42(60)34(51)24-33)55(9)45(62)31(5)52-49(66)50(6,7)8/h12-14,16-17,19-20,24,29-31,35-40,60H,11,15,18,21-23,25-28H2,1-10H3,(H,52,66)(H,53,61)/t30-,31-,35+,36+,37-,38-,39-,40+/m0/s1" . "CCOC(Cn1nc(c2c1ncnc2N)c1ccc2c(c1)nc(o2)N)OCC" . "CCOC(Cn1nc(c2c1ncnc2N)c1ccc2c(c1)nc(o2)N)OCC" . "PSICWGWNIOOULV-UHFFFAOYSA-N" . "InChI=1S/C18H21N7O3/c1-3-26-13(27-4-2)8-25-17-14(16(19)21-9-22-17)15(24-25)10-5-6-12-11(7-10)23-18(20)28-12/h5-7,9,13H,3-4,8H2,1-2H3,(H2,20,23)(H2,19,21,22)" . "CC(=O)Nc1ccc(cc1)O" . "CC(=O)Nc1ccc(cc1)O" . "RZVAJINKPMORJF-UHFFFAOYSA-N" . "InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)" . "NCCCCC(N1CC2N(CC1=O)C(=O)C(CN2C(=O)c1ccco1)NC(=O)CC(C)C)C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CC(C)C" . "NCCCC[C@H](N1CC2N(CC1=O)C(=O)[C@H](CN2C(=O)c1ccco1)NC(=O)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CC(C)C" . "OHQDORKALTUSJJ-ZHLQKWORSA-N" . "InChI=1S/C38H53N7O10/c1-22(2)16-26(34(49)42-27(38(53)54)18-24-10-12-25(46)13-11-24)41-35(50)29(8-5-6-14-39)43-20-32-44(37(52)30-9-7-15-55-30)19-28(40-31(47)17-23(3)4)36(51)45(32)21-33(43)48/h7,9-13,15,22-23,26-29,32,46H,5-6,8,14,16-21,39H2,1-4H3,(H,40,47)(H,41,50)(H,42,49)(H,53,54)/t26-,27-,28-,29-,32?/m0/s1" . "CC(C(F)(F)F)Oc1ccc(cc1C(F)(F)F)c1onc(n1)c1ccc2c(c1)nc[nH]2" . "C[C@@H](C(F)(F)F)Oc1ccc(cc1C(F)(F)F)c1onc(n1)c1ccc2c(c1)nc[nH]2" . "NJNXCJPSMWKXHO-VIFPVBQESA-N" . "InChI=1S/C19H12F6N4O2/c1-9(18(20,21)22)30-15-5-3-11(6-12(15)19(23,24)25)17-28-16(29-31-17)10-2-4-13-14(7-10)27-8-26-13/h2-9H,1H3,(H,26,27)/t9-/m0/s1" . "CN1CCC2(C(C1)Cc1c(C2)nc2c(c1)cccc2)c1cccc(c1)O" . "CN1CC[C@]2([C@H](C1)Cc1c(C2)nc2c(c1)cccc2)c1cccc(c1)O" . "LEPBHAAYNPPRRA-WMZHIEFXSA-N" . "InChI=1S/C23H24N2O/c1-25-10-9-23(18-6-4-7-20(26)13-18)14-22-17(12-19(23)15-25)11-16-5-2-3-8-21(16)24-22/h2-8,11,13,19,26H,9-10,12,14-15H2,1H3/t19-,23+/m0/s1" . "CN(C1CCN(C1)c1cc(nc2n1ncc2)c1ccccc1)C" . "CN([C@@H]1CCN(C1)c1cc(nc2n1ncc2)c1ccccc1)C" . "XKBSPAZCFAIBJL-OAHLLOKOSA-N" . "InChI=1S/C18H21N5/c1-21(2)15-9-11-22(13-15)18-12-16(14-6-4-3-5-7-14)20-17-8-10-19-23(17)18/h3-8,10,12,15H,9,11,13H2,1-2H3/t15-/m1/s1" . "Fc1cc2c(C3CC(=O)NC3=O)c[nH]c2cc1" . "Fc1cc2c(C3CC(=O)NC3=O)c[nH]c2cc1" . "MXKLDYKORJEOPR-UHFFFAOYSA-N" . "InChI=1S/C12H9FN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-3,5,8,14H,4H2,(H,15,16,17)" . "CC(CCCC(C1CCC2C1(C)CCC1C2CCC2C1(C)CCC(C2)N)C)C" . "CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2[C@]1(C)CC[C@H](C2)N)C)C" . "RJNGJYWAIUJHOJ-DSHIFKSRSA-N" . "InChI=1S/C27H49N/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25H,6-17,28H2,1-5H3/t19-,20?,21-,22+,23-,24+,25+,26+,27-/m1/s1" . "Cn1ncc(c1)C#Cc1cccc2c1c(=O)n(c(c2)C(NC(=O)c1c(N)nn2c1nccc2)C)c1ccccc1" . "Cn1ncc(c1)C#Cc1cccc2c1c(=O)n(c(c2)[C@@H](NC(=O)c1c(N)nn2c1nccc2)C)c1ccccc1" . "XUMALORDVCFWKV-IBGZPJMESA-N" . "InChI=1S/C30H24N8O2/c1-19(34-29(39)26-27(31)35-37-15-7-14-32-28(26)37)24-16-22-9-6-8-21(13-12-20-17-33-36(2)18-20)25(22)30(40)38(24)23-10-4-3-5-11-23/h3-11,14-19H,1-2H3,(H2,31,35)(H,34,39)/t19-/m0/s1" . "CCc1nc2n(c1N(c1sc(c(n1)c1ccc(cc1)F)C#N)C)cc(cc2C)N1CCN(CC1)CC(=O)N1CC(C1)O" . "CCc1nc2n(c1N(c1sc(c(n1)c1ccc(cc1)F)C#N)C)cc(cc2C)N1CCN(CC1)CC(=O)N1CC(C1)O" . "REQQVBGILUTQNN-UHFFFAOYSA-N" . "InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3" . "N#Cc1ccc(cc1)NC(=O)c1ccc2c(c1)nc(n2C(C1CCCCC1)C)c1cc2OCOc2cc1Br" . "N#Cc1ccc(cc1)NC(=O)c1ccc2c(c1)nc(n2[C@H](C1CCCCC1)C)c1cc2OCOc2cc1Br" . "FJAOGFGHTPYADT-SFHVURJKSA-N" . "InChI=1S/C30H27BrN4O3/c1-18(20-5-3-2-4-6-20)35-26-12-9-21(30(36)33-22-10-7-19(16-32)8-11-22)13-25(26)34-29(35)23-14-27-28(15-24(23)31)38-17-37-27/h7-15,18,20H,2-6,17H2,1H3,(H,33,36)/t18-/m0/s1" . "C=CC(=O)N1CC(CCC1C)Nc1ncnc2c1cc[nH]2" . "C=CC(=O)N1C[C@@H](CC[C@@H]1C)Nc1ncnc2c1cc[nH]2" . "CBRJPFGIXUFMTM-WDEREUQCSA-N" . "InChI=1S/C15H19N5O/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,16,17,18,19)/t10-,11+/m0/s1" . "CC(NC(=O)COc1cccc(c1)c1nc(Nc2ccc3c(c2)cn[nH]3)c2c(n1)cccc2)C" . "CC(NC(=O)COc1cccc(c1)c1nc(Nc2ccc3c(c2)cn[nH]3)c2c(n1)cccc2)C" . "GKHIVNAUVKXIIY-UHFFFAOYSA-N" . "InChI=1S/C26H24N6O2/c1-16(2)28-24(33)15-34-20-7-5-6-17(13-20)25-30-23-9-4-3-8-21(23)26(31-25)29-19-10-11-22-18(12-19)14-27-32-22/h3-14,16H,15H2,1-2H3,(H,27,32)(H,28,33)(H,29,30,31)" . "COc1ccc(cc1)C(=O)c1ccc(cc1C(=O)O)C(=O)c1ccc(cn1)N(c1ccc(cc1)Cl)CC1CC1" . "COc1ccc(cc1)C(=O)c1ccc(cc1C(=O)O)C(=O)c1ccc(cn1)N(c1ccc(cc1)Cl)CC1CC1" . "GRDDFJXOEAJYCT-UHFFFAOYSA-N" . "InChI=1S/C31H25ClN2O5/c1-39-25-12-4-20(5-13-25)29(35)26-14-6-21(16-27(26)31(37)38)30(36)28-15-11-24(17-33-28)34(18-19-2-3-19)23-9-7-22(32)8-10-23/h4-17,19H,2-3,18H2,1H3,(H,37,38)" . "COc1cc(cnc1C(=O)C1CC1C(=O)O)N(c1ccc2c3c1cccc3CC2)CC1CC1" . "COc1cc(cnc1C(=O)C1CC1C(=O)O)N(c1ccc2c3c1cccc3CC2)CC1CC1" . "FQHWQFIPEVBFKT-UHFFFAOYSA-N" . "InChI=1S/C27H26N2O4/c1-33-23-11-18(13-28-25(23)26(30)20-12-21(20)27(31)32)29(14-15-5-6-15)22-10-9-17-8-7-16-3-2-4-19(22)24(16)17/h2-4,9-11,13,15,20-21H,5-8,12,14H2,1H3,(H,31,32)" . "O=C(c1n[nH]c(n1)Cc1ccccc1)NC1COc2c(N(C1=O)C)cccc2" . "O=C(c1n[nH]c(n1)Cc1ccccc1)N[C@H]1COc2c(N(C1=O)C)cccc2" . "LYPAFUINURXJSG-AWEZNQCLSA-N" . "InChI=1S/C20H19N5O3/c1-25-15-9-5-6-10-16(15)28-12-14(20(25)27)21-19(26)18-22-17(23-24-18)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,26)(H,22,23,24)/t14-/m0/s1" . "CCCCCCCCCCCCOP(=S)(O)O" . "CCCCCCCCCCCCOP(=S)(O)O" . "ISWBBUXCFWZBKC-UHFFFAOYSA-N" . "InChI=1S/C12H27O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-15-16(13,14)17/h2-12H2,1H3,(H2,13,14,17)" . "CCCc1nn(c2c1nc(nc2Oc1ncc(s1)N(N=O)C)c1cc(ccc1OCC)S(=O)(=O)C1CC(C)NC(C1)C)C" . "CCCc1nn(c2c1nc(nc2Oc1ncc(s1)N(N=O)C)c1cc(ccc1OCC)S(=O)(=O)C1CC(C)NC(C1)C)C" . "BNIFBESUYAAZKT-UHFFFAOYSA-N" . "InChI=1S/C28H36N8O5S2/c1-7-9-21-24-25(36(6)33-21)27(41-28-29-15-23(42-28)35(5)34-37)32-26(31-24)20-14-18(10-11-22(20)40-8-2)43(38,39)19-12-16(3)30-17(4)13-19/h10-11,14-17,19,30H,7-9,12-13H2,1-6H3" . "COc1ccc2c(c1)ccc(c2)C(C(=O)OCCCCO[N+](=O)[O-])C" . "COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)OCCCCO[N+](=O)[O-])C" . "AKFJWRDCWYYTIG-ZDUSSCGKSA-N" . "InChI=1S/C18H21NO6/c1-13(18(20)24-9-3-4-10-25-19(21)22)14-5-6-16-12-17(23-2)8-7-15(16)11-14/h5-8,11-13H,3-4,9-10H2,1-2H3/t13-/m0/s1" . "Clc1ccc(cc1)C=NNC(=O)c1ccccc1" . "Clc1ccc(cc1)/C=N/NC(=O)c1ccccc1" . "YJGPDMQKIPQVLX-MHWRWJLKSA-N" . "InChI=1S/C14H11ClN2O/c15-13-8-6-11(7-9-13)10-16-17-14(18)12-4-2-1-3-5-12/h1-10H,(H,17,18)/b16-10+" . "NCCCOc1cccc(c1c1[nH]nc(c1)Nc1cnc(cn1)C#N)OC" . "NCCCOc1cccc(c1c1[nH]nc(c1)Nc1cnc(cn1)C#N)OC" . "DOTGPNHGTYJDEP-UHFFFAOYSA-N" . "InChI=1S/C18H19N7O2/c1-26-14-4-2-5-15(27-7-3-6-19)18(14)13-8-16(25-24-13)23-17-11-21-12(9-20)10-22-17/h2,4-5,8,10-11H,3,6-7,19H2,1H3,(H2,22,23,24,25)" . "N#Cc1ccc(cc1)c1n[nH]cc1CN1CCN(C(C1)C)c1ccc(cn1)C(F)(F)F" . "N#Cc1ccc(cc1)c1n[nH]cc1CN1CCN([C@@H](C1)C)c1ccc(cn1)C(F)(F)F" . "VNTCGXMLDSKOKN-OAHLLOKOSA-N" . "InChI=1S/C22H21F3N6/c1-15-13-30(8-9-31(15)20-7-6-19(12-27-20)22(23,24)25)14-18-11-28-29-21(18)17-4-2-16(10-26)3-5-17/h2-7,11-12,15H,8-9,13-14H2,1H3,(H,28,29)/t15-/m1/s1" . "OCC1OC(Oc2n[nH]c(c2Cc2ccc(cc2C)OCCCNCC(C(=O)N)(C)C)C(C)C)C(C(C1O)O)O" . "OC[C@H]1O[C@@H](Oc2n[nH]c(c2Cc2ccc(cc2C)OCCCNCC(C(=O)N)(C)C)C(C)C)[C@@H]([C@H]([C@@H]1O)O)O" . "LREHMKLEOJAVMQ-TXKDOCKMSA-N" . "InChI=1S/C28H44N4O8/c1-15(2)21-19(25(32-31-21)40-26-24(36)23(35)22(34)20(13-33)39-26)12-17-7-8-18(11-16(17)3)38-10-6-9-30-14-28(4,5)27(29)37/h7-8,11,15,20,22-24,26,30,33-36H,6,9-10,12-14H2,1-5H3,(H2,29,37)(H,31,32)/t20-,22-,23+,24-,26+/m1/s1" . "CNCCN1CCC(CC1)c1nccc(c1)CN(C(=O)c1cccc(c1)Oc1ccccc1)C" . "CNCCN1CCC(CC1)c1nccc(c1)CN(C(=O)c1cccc(c1)Oc1ccccc1)C" . "VUIITYLFSAXKIQ-UHFFFAOYSA-N" . "InChI=1S/C28H34N4O2/c1-29-15-18-32-16-12-23(13-17-32)27-19-22(11-14-30-27)21-31(2)28(33)24-7-6-10-26(20-24)34-25-8-4-3-5-9-25/h3-11,14,19-20,23,29H,12-13,15-18,21H2,1-2H3" . "O=C1CSc2c(N1Cc1cccc(c1)C(F)(F)F)cccc2" . "O=C1CSc2c(N1Cc1cccc(c1)C(F)(F)F)cccc2" . "ZUIJXKLTUFCDGO-UHFFFAOYSA-N" . "InChI=1S/C16H12F3NOS/c17-16(18,19)12-5-3-4-11(8-12)9-20-13-6-1-2-7-14(13)22-10-15(20)21/h1-8H,9-10H2" . "O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1c(cc2c(c1S(=O)(=O)O)cc(cc2)S(=O)(=O)O)S(=O)(=O)O)NC1=CC(C=CC1)C(=O)NC1=C(C)C=CC(C1)C(=O)Nc1c(cc2c(c1S(=O)(=O)O)cc(cc2)S(=O)(=O)O)S(=O)(=O)O" . "O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1c(cc2c(c1S(=O)(=O)O)cc(cc2)S(=O)(=O)O)S(=O)(=O)O)NC1=CC(C=CC1)C(=O)NC1=C(C)C=CC(C1)C(=O)Nc1c(cc2c(c1S(=O)(=O)O)cc(cc2)S(=O)(=O)O)S(=O)(=O)O" . "RLZIFZVDVFDJNF-UHFFFAOYSA-N" . "InChI=1S/C51H44N6O23S6/c1-25-9-11-31(49(60)56-43-41(83(69,70)71)21-27-13-15-35(81(63,64)65)23-37(27)45(43)85(75,76)77)19-39(25)54-47(58)29-5-3-7-33(17-29)52-51(62)53-34-8-4-6-30(18-34)48(59)55-40-20-32(12-10-26(40)2)50(61)57-44-42(84(72,73)74)22-28-14-16-36(82(66,67)68)24-38(28)46(44)86(78,79)80/h3-7,9-19,21-24,30,32H,8,20H2,1-2H3,(H,54,58)(H,55,59)(H,56,60)(H,57,61)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)" . "COc1cc(cc2c1cc(NC(=O)c1ccc(c(c1)NC(=O)c1cccc(c1)NC(=O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1cc3c(OC)cc(cc3cc1S(=O)(=O)O)S(=O)(=O)O)C)c(c2)S(=O)(=O)O)S(=O)(=O)O" . "COc1cc(cc2c1cc(NC(=O)c1ccc(c(c1)NC(=O)c1cccc(c1)NC(=O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1cc3c(OC)cc(cc3cc1S(=O)(=O)O)S(=O)(=O)O)C)c(c2)S(=O)(=O)O)S(=O)(=O)O" . "OVDXRPYTXUZANY-UHFFFAOYSA-N" . "InChI=1S/C53H44N6O19S4/c1-27-11-13-31(51(62)58-43-25-39-33(21-47(43)81(71,72)73)17-37(79(65,66)67)23-45(39)77-3)19-41(27)56-49(60)29-7-5-9-35(15-29)54-53(64)55-36-10-6-8-30(16-36)50(61)57-42-20-32(14-12-28(42)2)52(63)59-44-26-40-34(22-48(44)82(74,75)76)18-38(80(68,69)70)24-46(40)78-4/h5-26H,1-4H3,(H,56,60)(H,57,61)(H,58,62)(H,59,63)(H2,54,55,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)" . "O=C(N1CCc2c1ccc(c2F)c1cn(c2c1c(N)ncn2)C)Cc1cccc(n1)C" . "O=C(N1CCc2c1ccc(c2F)c1cn(c2c1c(N)ncn2)C)Cc1cccc(n1)C" . "PRWSIEBRGXYXAJ-UHFFFAOYSA-N" . "InChI=1S/C23H21FN6O/c1-13-4-3-5-14(28-13)10-19(31)30-9-8-16-18(30)7-6-15(21(16)24)17-11-29(2)23-20(17)22(25)26-12-27-23/h3-7,11-12H,8-10H2,1-2H3,(H2,25,26,27)" . "O=C(Nc1c(Br)cc(cc1Br)C(C)C)Nc1cccnc1" . "O=C(Nc1c(Br)cc(cc1Br)C(C)C)Nc1cccnc1" . "JFNKIJKRXKPQCC-UHFFFAOYSA-N" . "InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21)" . "Cc1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2c1cccc2" . "Cc1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2c1cccc2" . "DHZNMEIBMACSFH-UHFFFAOYSA-N" . "InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3" . "Brc1cccc(c1)C1=NCC(=O)Nc2c1oc1c2cccc1" . "Brc1cccc(c1)C1=NCC(=O)Nc2c1oc1c2cccc1" . "NKYMVQPXXTZHSF-UHFFFAOYSA-N" . "InChI=1S/C17H11BrN2O2/c18-11-5-3-4-10(8-11)15-17-16(20-14(21)9-19-15)12-6-1-2-7-13(12)22-17/h1-8H,9H2,(H,20,21)" . "Clc1nc(Nc2cccc(c2)Nc2cc(c(c3c2C(=O)c2ccccc2C3=O)N)S(=O)(=O)O)nc(n1)Cl" . "Clc1nc(Nc2cccc(c2)Nc2cc(c(c3c2C(=O)c2ccccc2C3=O)N)S(=O)(=O)O)nc(n1)Cl" . "BLCUJFVIEUPNOP-UHFFFAOYSA-N" . "InChI=1S/C23H14Cl2N6O5S/c24-21-29-22(25)31-23(30-21)28-11-5-3-4-10(8-11)27-14-9-15(37(34,35)36)18(26)17-16(14)19(32)12-6-1-2-7-13(12)20(17)33/h1-9,27H,26H2,(H,34,35,36)(H,28,29,30,31)" . "OCC(Nc1ncc(c(n1)N)Oc1cc(I)c(cc1C(C)C)OC)CO" . "OCC(Nc1ncc(c(n1)N)Oc1cc(I)c(cc1C(C)C)OC)CO" . "PAYROHWFGZADBR-UHFFFAOYSA-N" . "InChI=1S/C17H23IN4O4/c1-9(2)11-4-14(25-3)12(18)5-13(11)26-15-6-20-17(22-16(15)19)21-10(7-23)8-24/h4-6,9-10,23-24H,7-8H2,1-3H3,(H3,19,20,21,22)" . "COc1cc2c(cc1OC)CC[N+](C2Cc1ccc(c(c1)OC)OC)(C)CCC(=O)OCCCCCOC(=O)CC[N+]1(C)CCc2c(C1Cc1ccc(c(c1)OC)OC)cc(c(c2)OC)OC" . "COc1cc2c(cc1OC)CC[N+](C2Cc1ccc(c(c1)OC)OC)(C)CCC(=O)OCCCCCOC(=O)CC[N+]1(C)CCc2c(C1Cc1ccc(c(c1)OC)OC)cc(c(c2)OC)OC" . "YXSLJKQTIDHPOT-UHFFFAOYSA-N" . "InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2" . "COc1ccc2c(c1)ccc(c2)C(C(=O)Oc1ccc(cc1)C(=S)N)C" . "COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)Oc1ccc(cc1)C(=S)N)C" . "YCNMAPLPQYQJFC-ZDUSSCGKSA-N" . "InChI=1S/C21H19NO3S/c1-13(21(23)25-18-8-5-14(6-9-18)20(22)26)15-3-4-17-12-19(24-2)10-7-16(17)11-15/h3-13H,1-2H3,(H2,22,26)/t13-/m0/s1" . "CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(=O)(=O)F)c2c(c1=O)nc([nH]2)C1CCCCC1" . "CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(=O)(=O)F)c2c(c1=O)nc([nH]2)C1CCCCC1" . "KAJVJPLKXGLLDA-UHFFFAOYSA-N" . "InChI=1S/C24H30FN5O5S/c1-2-14-30-23(32)19-21(28-20(27-19)16-7-4-3-5-8-16)29(24(30)33)15-6-13-26-22(31)17-9-11-18(12-10-17)36(25,34)35/h9-12,16H,2-8,13-15H2,1H3,(H,26,31)(H,27,28)" . "CNCCN1CCC(CC1)OCc1ccccc1" . "CNCCN1CCC(CC1)OCc1ccccc1" . "HBOJWAYLSJLULG-UHFFFAOYSA-N" . "InChI=1S/C15H24N2O/c1-16-9-12-17-10-7-15(8-11-17)18-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3" . "OC(C1OC(C(C1O)O)n1ccc2c1ncnc2N)c1ccccc1" . "O[C@@H]([C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc2c1ncnc2N)c1ccccc1" . "WWOOWAHTEXIWBO-QFRSUPTLSA-N" . "InChI=1S/C17H18N4O4/c18-15-10-6-7-21(16(10)20-8-19-15)17-13(24)12(23)14(25-17)11(22)9-4-2-1-3-5-9/h1-8,11-14,17,22-24H,(H2,18,19,20)/t11-,12+,13-,14-,17-/m1/s1" . "N#Cc1cc2c(n1Cc1c[nH]nc1)ccc(c2C)CN1CCC(CC1)Nc1ncnc2c1cc(s2)CC(F)(F)F" . "N#Cc1cc2c(n1Cc1c[nH]nc1)ccc(c2C)CN1CCC(CC1)Nc1ncnc2c1cc(s2)CC(F)(F)F" . "DETOMBLLEOZTMZ-UHFFFAOYSA-N" . "InChI=1S/C28H27F3N8S/c1-17-19(2-3-25-23(17)8-21(11-32)39(25)14-18-12-35-36-13-18)15-38-6-4-20(5-7-38)37-26-24-9-22(10-28(29,30)31)40-27(24)34-16-33-26/h2-3,8-9,12-13,16,20H,4-7,10,14-15H2,1H3,(H,35,36)(H,33,34,37)" . "CN(C1CN(CC1c1ccc(cc1)N1CCN(CC1)S(=O)(=O)C)C1CCc2c1c(F)ccc2)C" . "CN([C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(=O)(=O)C)C1CCc2c1c(F)ccc2)C" . "REVJNSVNICWODC-KIDMSAQOSA-N" . "InChI=1S/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/m1/s1" . "OCCCc1ccc2c3c1cccc3c(=O)n(c2=O)c1cc2c(cc1C)n(c(=O)n2C)C" . "OCCCc1ccc2c3c1cccc3c(=O)n(c2=O)c1cc2c(cc1C)n(c(=O)n2C)C" . "OFWWWKWUCDUISA-UHFFFAOYSA-N" . "InChI=1S/C25H23N3O4/c1-14-12-20-21(27(3)25(32)26(20)2)13-19(14)28-23(30)17-8-4-7-16-15(6-5-11-29)9-10-18(22(16)17)24(28)31/h4,7-10,12-13,29H,5-6,11H2,1-3H3" . "COc1cc2c(cc1NS(=O)(=O)c1ccc(cc1C)Br)n(c(=O)n2C)C" . "COc1cc2c(cc1NS(=O)(=O)c1ccc(cc1C)Br)n(c(=O)n2C)C" . "YUNQZQREIHWDQT-UHFFFAOYSA-N" . "InChI=1S/C17H18BrN3O4S/c1-10-7-11(18)5-6-16(10)26(23,24)19-12-8-13-14(9-15(12)25-4)21(3)17(22)20(13)2/h5-9,19H,1-4H3" . "Cc1ccc(cc1c1cc(n2c1nccc2)C(=O)C)C(=O)NC1CC1" . "Cc1ccc(cc1c1cc(n2c1nccc2)C(=O)C)C(=O)NC1CC1" . "RPBMXJHQYJLPDN-UHFFFAOYSA-N" . "InChI=1S/C20H19N3O2/c1-12-4-5-14(20(25)22-15-6-7-15)10-16(12)17-11-18(13(2)24)23-9-3-8-21-19(17)23/h3-5,8-11,15H,6-7H2,1-2H3,(H,22,25)" . "COC1CNCC(C1Nc1ncc(c2c1[nH]c(=O)c(c2)C)c1cncc(c1)C)OCC1CCC(CC1)(F)F" . "CO[C@H]1CNC[C@H]([C@@H]1Nc1ncc(c2c1[nH]c(=O)c(c2)C)c1cncc(c1)C)OCC1CCC(CC1)(F)F" . "YDPMMWAOCCOULO-JBRSBNLGSA-N" . "InChI=1S/C28H35F2N5O3/c1-16-8-19(11-31-10-16)21-12-33-26(24-20(21)9-17(2)27(36)35-24)34-25-22(37-3)13-32-14-23(25)38-15-18-4-6-28(29,30)7-5-18/h8-12,18,22-23,25,32H,4-7,13-15H2,1-3H3,(H,33,34)(H,35,36)/t22-,23+,25+/m0/s1" . "O=C1CCCN1C" . "O=C1CCCN1C" . "SECXISVLQFMRJM-UHFFFAOYSA-N" . "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3" . "CN(CC(=O)O)CCOP(=O)(OP(=O)(O)O)O" . "CN(CC(=O)O)CCOP(=O)(OP(=O)(O)O)O" . "YERUUUBBRAPJND-UHFFFAOYSA-N" . "InChI=1S/C5H13NO9P2/c1-6(4-5(7)8)2-3-14-17(12,13)15-16(9,10)11/h2-4H2,1H3,(H,7,8)(H,12,13)(H2,9,10,11)" . "C=CC(=O)Nc1cc(ccc1C)N1C(=O)CCc2c1c1cc(ccc1nc2)n1cccn1" . "C=CC(=O)Nc1cc(ccc1C)N1C(=O)CCc2c1c1cc(ccc1nc2)n1cccn1" . "AANOKQLITQDWQD-UHFFFAOYSA-N" . "InChI=1S/C25H21N5O2/c1-3-23(31)28-22-14-19(7-5-16(22)2)30-24(32)10-6-17-15-26-21-9-8-18(13-20(21)25(17)30)29-12-4-11-27-29/h3-5,7-9,11-15H,1,6,10H2,2H3,(H,28,31)" . "OC(=O)C(CCCN=C(N)N)N" . "OC(=O)[C@H](CCCN=C(N)N)N" . "ODKSFYDXXFIFQN-BYPYZUCNSA-N" . "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1" . "O=C(c1sc(nc1C)c1cccnc1)Nc1ccccc1c1cn2c(n1)scc2CN1CCOCC1" . "O=C(c1sc(nc1C)c1cccnc1)Nc1ccccc1c1cn2c(n1)scc2CN1CCOCC1" . "LAMQVIQMVKWXOC-UHFFFAOYSA-N" . "InChI=1S/C26H24N6O2S2/c1-17-23(36-25(28-17)18-5-4-8-27-13-18)24(33)29-21-7-3-2-6-20(21)22-15-32-19(16-35-26(32)30-22)14-31-9-11-34-12-10-31/h2-8,13,15-16H,9-12,14H2,1H3,(H,29,33)" . "COCCCn1c2nc3ccccc3nc2c(c1N)C(=O)NC1CCCC1" . "COCCCn1c2nc3ccccc3nc2c(c1N)C(=O)NC1CCCC1" . "VNOFYGGJZCEPAH-UHFFFAOYSA-N" . "InChI=1S/C20H25N5O2/c1-27-12-6-11-25-18(21)16(20(26)22-13-7-2-3-8-13)17-19(25)24-15-10-5-4-9-14(15)23-17/h4-5,9-10,13H,2-3,6-8,11-12,21H2,1H3,(H,22,26)" . "O=C(Nc1ccc(cc1)OC(F)(F)F)Nc1ccc(cc1)N(c1ccnc(n1)Nc1cccc(c1)S(=O)(=O)N)C" . "O=C(Nc1ccc(cc1)OC(F)(F)F)Nc1ccc(cc1)N(c1ccnc(n1)Nc1cccc(c1)S(=O)(=O)N)C" . "SNRUTMWCDZHKKM-UHFFFAOYSA-N" . "InChI=1S/C25H22F3N7O4S/c1-35(22-13-14-30-23(34-22)31-18-3-2-4-21(15-18)40(29,37)38)19-9-5-16(6-10-19)32-24(36)33-17-7-11-20(12-8-17)39-25(26,27)28/h2-15H,1H3,(H2,29,37,38)(H,30,31,34)(H2,32,33,36)" . "Clc1cccc(c1)C(CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O" . "Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O" . "LLDXOPKUNJTIRF-QFIPXVFZSA-N" . "InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1" . "Cc1cccc(c1)c1oc(nc1C(=O)Nc1cnn(n1)Cc1occ(n1)C(F)(F)C)C" . "Cc1cccc(c1)c1oc(nc1C(=O)Nc1cnn(n1)Cc1occ(n1)C(F)(F)C)C" . "PBTWPEDVIMHJEO-UHFFFAOYSA-N" . "InChI=1S/C20H18F2N6O3/c1-11-5-4-6-13(7-11)18-17(24-12(2)31-18)19(29)26-15-8-23-28(27-15)9-16-25-14(10-30-16)20(3,21)22/h4-8,10H,9H2,1-3H3,(H,26,27,29)" . "O=S(=O)(c1ccc(cc1)Oc1ccccc1)CC1SC1" . "O=S(=O)(c1ccc(cc1)Oc1ccccc1)CC1SC1" . "LSONWRHLFZYHIN-UHFFFAOYSA-N" . "InChI=1S/C15H14O3S2/c16-20(17,11-14-10-19-14)15-8-6-13(7-9-15)18-12-4-2-1-3-5-12/h1-9,14H,10-11H2" . "CCN(c1ccc2c(c1)oc1c(c2c2ccc(cc2C(=O)O)NC(=S)NCCCCCC(=O)OCC2OC(O)C(C(C2O)OC(C(=O)NC(C(=O)NC(C(=O)N)CCC(=O)O)C)C)NC(=O)C)ccc(=[N+](CC)CC)c1)CC" . "CCN(c1ccc2c(c1)oc1c(c2c2ccc(cc2C(=O)O)NC(=S)NCCCCCC(=O)OC[C@H]2O[C@@H](O)[C@@H]([C@H]([C@@H]2O)O[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N)CCC(=O)O)C)C)NC(=O)C)ccc(=[N+](CC)CC)c1)CC" . "WIKKPYADGXLQLA-FREYQMBCSA-O" . "InChI=1S/C54H72N8O15S/c1-8-61(9-2)33-17-20-36-40(26-33)76-41-27-34(62(10-3)11-4)18-21-37(41)45(36)35-19-16-32(25-38(35)52(71)72)59-54(78)56-24-14-12-13-15-44(66)74-28-42-47(67)48(46(53(73)77-42)58-31(7)63)75-30(6)51(70)57-29(5)50(69)60-39(49(55)68)22-23-43(64)65/h16-21,25-27,29-30,39,42,46-48,53,67,73H,8-15,22-24,28H2,1-7H3,(H8,55,56,57,58,60,63,64,65,68,69,70,71,72,78)/p+1/t29-,30+,39+,42+,46+,47+,48+,53+/m0/s1" . "CN(C(=O)CN)CC(=O)O" . "CN(C(=O)CN)CC(=O)O" . "VYAMLSCELQQRAE-UHFFFAOYSA-N" . "InChI=1S/C5H10N2O3/c1-7(3-5(9)10)4(8)2-6/h2-3,6H2,1H3,(H,9,10)" . "O=C(NC(C(=O)O)CCCC(C(=O)O)N)CCC(C(=O)O)N" . "O=C(N[C@@H](C(=O)O)CCC[C@@H](C(=O)O)N)CC[C@H](C(=O)O)N" . "QIFGMZZTJRULMA-XLPZGREQSA-N" . "InChI=1S/C12H21N3O7/c13-6(10(17)18)2-1-3-8(12(21)22)15-9(16)5-4-7(14)11(19)20/h6-8H,1-5,13-14H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t6-,7+,8+/m0/s1" . "CC(P(=O)(O)O)NC(=O)C(N)C" . "C[C@@H](P(=O)(O)O)NC(=O)[C@@H](N)C" . "BHAYDBSYOBONRV-IUYQGCFVSA-N" . "InChI=1S/C5H13N2O4P/c1-3(6)5(8)7-4(2)12(9,10)11/h3-4H,6H2,1-2H3,(H,7,8)(H2,9,10,11)/t3-,4+/m0/s1" . "CC(CC(CC(=O)OC(C(Cc1ccccc1)NC(=O)COc1c(C)cccc1C)CC(NC(=O)C(N1CCCNC1=O)C(C)C)Cc1ccccc1)NC(=O)CC(Cc1c[nH]cn1)N)C" . "CC(CC(CC(=O)O[C@H]([C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)C[C@@H](NC(=O)[C@@H](N1CCCNC1=O)C(C)C)Cc1ccccc1)NC(=O)CC(Cc1c[nH]cn1)N)C" . "CNRARJITWNMDCM-XGZCXRAPSA-N" . "InChI=1S/C51H70N8O7/c1-33(2)23-40(56-45(60)27-39(52)26-42-30-53-32-55-42)29-47(62)66-44(43(25-38-19-11-8-12-20-38)58-46(61)31-65-49-35(5)15-13-16-36(49)6)28-41(24-37-17-9-7-10-18-37)57-50(63)48(34(3)4)59-22-14-21-54-51(59)64/h7-13,15-20,30,32-34,39-41,43-44,48H,14,21-29,31,52H2,1-6H3,(H,53,55)(H,54,64)(H,56,60)(H,57,63)(H,58,61)/t39?,40?,41-,43-,44-,48-/m0/s1" . "NCCC(=O)NC(C(=O)O)CCCCNC(=O)Cc1c(=O)oc2c(c1C)ccc(c2)N" . "NCCC(=O)N[C@H](C(=O)O)CCCCNC(=O)Cc1c(=O)oc2c(c1C)ccc(c2)N" . "BXZFTTVQAOLWHY-INIZCTEOSA-N" . "InChI=1S/C21H28N4O6/c1-12-14-6-5-13(23)10-17(14)31-21(30)15(12)11-19(27)24-9-3-2-4-16(20(28)29)25-18(26)7-8-22/h5-6,10,16H,2-4,7-9,11,22-23H2,1H3,(H,24,27)(H,25,26)(H,28,29)/t16-/m0/s1" . "c1ccc2c(c1)[I+]c1c2cccc1.[Cl-]" . "c1ccc2c(c1)[I+]c1c2cccc1.[Cl-]" . "FCFZKAVCDNTYID-UHFFFAOYSA-M" . "InChI=1S/C12H8I.ClH/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;/h1-8H;1H/q+1;/p-1" . "COc1cccc(c1)n1nc(cc1c1ccc(c(c1)Cl)C1CCCCC1)C(=O)O" . "COc1cccc(c1)n1nc(cc1c1ccc(c(c1)Cl)C1CCCCC1)C(=O)O" . "BNALUYKEGYUHQC-UHFFFAOYSA-N" . "InChI=1S/C23H23ClN2O3/c1-29-18-9-5-8-17(13-18)26-22(14-21(25-26)23(27)28)16-10-11-19(20(24)12-16)15-6-3-2-4-7-15/h5,8-15H,2-4,6-7H2,1H3,(H,27,28)" . "COc1cc(cc(c1C)OC)C(=O)N(Cc1ccc(cc1)CC(=O)O)CCCc1ccccc1" . "COc1cc(cc(c1C)OC)C(=O)N(Cc1ccc(cc1)CC(=O)O)CCCc1ccccc1" . "WGABOZPQOOZAOI-UHFFFAOYSA-N" . "InChI=1S/C28H31NO5/c1-20-25(33-2)17-24(18-26(20)34-3)28(32)29(15-7-10-21-8-5-4-6-9-21)19-23-13-11-22(12-14-23)16-27(30)31/h4-6,8-9,11-14,17-18H,7,10,15-16,19H2,1-3H3,(H,30,31)" . "O=C(OC(c1ccccc1)C)Nc1c(C)noc1c1ccc(cc1)c1ccc(cc1)C1(CC1)C(=O)O" . "O=C(O[C@@H](c1ccccc1)C)Nc1c(C)noc1c1ccc(cc1)c1ccc(cc1)C1(CC1)C(=O)O" . "GQBRZBHEPUQRPL-LJQANCHMSA-N" . "InChI=1S/C29H26N2O5/c1-18-25(30-28(34)35-19(2)20-6-4-3-5-7-20)26(36-31-18)23-10-8-21(9-11-23)22-12-14-24(15-13-22)29(16-17-29)27(32)33/h3-15,19H,16-17H2,1-2H3,(H,30,34)(H,32,33)/t19-/m1/s1" . "O=C(CC(O)(C)C)NC(C(=O)N1CCC(C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C" . "O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C" . "PTNKPLPRPJERNR-XXBNENTESA-N" . "InChI=1S/C23H35ClN2O4/c1-15(2)19(25-18(27)13-22(5,6)29)20(28)26-12-11-23(30,21(3,4)14-26)16-7-9-17(24)10-8-16/h7-10,15,19,29-30H,11-14H2,1-6H3,(H,25,27)/t19-,23+/m1/s1" . "OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl" . "OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl" . "WAAWETUDFSIYSD-UHFFFAOYSA-N" . "InChI=1S/C18H17Cl2NO3/c19-16-6-3-13(7-17(16)20)11-24-15-4-1-12(2-5-15)8-21-9-14(10-21)18(22)23/h1-7,14H,8-11H2,(H,22,23)" . "OC(=O)CCCNCc1cc2c(s1)c(ccc2)c1ccc2c(c1)cccc2" . "OC(=O)CCCNCc1cc2c(s1)c(ccc2)c1ccc2c(c1)cccc2" . "XDCOYBQVEVSNNB-UHFFFAOYSA-N" . "InChI=1S/C23H21NO2S/c25-22(26)9-4-12-24-15-20-14-19-7-3-8-21(23(19)27-20)18-11-10-16-5-1-2-6-17(16)13-18/h1-3,5-8,10-11,13-14,24H,4,9,12,15H2,(H,25,26)" . "O=C(N(C1CCCCC1)C1CCCCC1)c1noc(c1)C1CC1" . "O=C(N(C1CCCCC1)C1CCCCC1)c1noc(c1)C1CC1" . "NDKGACIWVAOUQH-UHFFFAOYSA-N" . "InChI=1S/C19H28N2O2/c22-19(17-13-18(23-20-17)14-11-12-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h13-16H,1-12H2" . "CCCC(COP(=O)(O)O)(CCc1ccc(cc1Cl)Sc1cc(ccc1O)C(F)(F)F)N" . "CCC[C@@](COP(=O)(O)O)(CCc1ccc(cc1Cl)Sc1cc(ccc1O)C(F)(F)F)N" . "WDHXDLFPOPVGGO-IBGZPJMESA-N" . "InChI=1S/C20H24ClF3NO5PS/c1-2-8-19(25,12-30-31(27,28)29)9-7-13-3-5-15(11-16(13)21)32-18-10-14(20(22,23)24)4-6-17(18)26/h3-6,10-11,26H,2,7-9,12,25H2,1H3,(H2,27,28,29)/t19-/m0/s1" . "OC(=O)CCN1CCc2c(C1)c(C)n(n2)c1nnc(s1)c1ccc(c(c1)Cl)OC(C)C" . "OC(=O)CCN1CCc2c(C1)c(C)n(n2)c1nnc(s1)c1ccc(c(c1)Cl)OC(C)C" . "BGAJNPLDJJBRHK-UHFFFAOYSA-N" . "InChI=1S/C21H24ClN5O3S/c1-12(2)30-18-5-4-14(10-16(18)22)20-23-24-21(31-20)27-13(3)15-11-26(9-7-19(28)29)8-6-17(15)25-27/h4-5,10,12H,6-9,11H2,1-3H3,(H,28,29)" . "CCCCCCCOc1ccc(cc1C(F)(F)F)CCC(COP(=O)(O)O)(CO)N" . "CCCCCCCOc1ccc(cc1C(F)(F)F)CC[C@](COP(=O)(O)O)(CO)N" . "OFRUGVQKZMGHHH-GOSISDBHSA-N" . "InChI=1S/C19H31F3NO6P/c1-2-3-4-5-6-11-28-17-8-7-15(12-16(17)19(20,21)22)9-10-18(23,13-24)14-29-30(25,26)27/h7-8,12,24H,2-6,9-11,13-14,23H2,1H3,(H2,25,26,27)/t18-/m1/s1" . "CCOC(=O)C(Cc1ccc(cc1)c1cc(nc(n1)N)OC(C(F)(F)F)c1ccc(cc1n1ccc(n1)C)Cl)N" . "CCOC(=O)[C@H](Cc1ccc(cc1)c1cc(nc(n1)N)O[C@@H](C(F)(F)F)c1ccc(cc1n1ccc(n1)C)Cl)N" . "MDSQOJYHHZBZKA-GBXCKJPGSA-N" . "InChI=1S/C27H26ClF3N6O3/c1-3-39-25(38)20(32)12-16-4-6-17(7-5-16)21-14-23(35-26(33)34-21)40-24(27(29,30)31)19-9-8-18(28)13-22(19)37-11-10-15(2)36-37/h4-11,13-14,20,24H,3,12,32H2,1-2H3,(H2,33,34,35)/t20-,24+/m0/s1" . "NC1CONC1=O" . "N[C@@H]1CONC1=O" . "DYDCUQKUCUHJBH-UWTATZPHSA-N" . "InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1" . "NC1CONC1=O" . "N[C@H]1CONC1=O" . "DYDCUQKUCUHJBH-REOHCLBHSA-N" . "InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m0/s1" . "CN1CC(=CCC1)C(=O)O" . "CN1CC(=CCC1)C(=O)O" . "DNJFTXKSFAMXQF-UHFFFAOYSA-N" . "InChI=1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10)" . "NC(C(=O)NC(C(=O)O)CC(C)C)Cc1[nH]cnc1" . "N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1[nH]cnc1" . "MMFKFJORZBJVNF-UWVGGRQHSA-N" . "InChI=1S/C12H20N4O3/c1-7(2)3-10(12(18)19)16-11(17)9(13)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)/t9-,10-/m0/s1" . "Nc1cccc(c1)CNC(=O)c1ccc(nc1)Oc1ccc(cc1)OCc1cccc(c1)F" . "Nc1cccc(c1)CNC(=O)c1ccc(nc1)Oc1ccc(cc1)OCc1cccc(c1)F" . "JZMLHJRKSJXARY-UHFFFAOYSA-N" . "InChI=1S/C26H22FN3O3/c27-21-5-1-4-19(13-21)17-32-23-8-10-24(11-9-23)33-25-12-7-20(16-29-25)26(31)30-15-18-3-2-6-22(28)14-18/h1-14,16H,15,17,28H2,(H,30,31)" . "CCCCCCCCCCCCCCCC(C(=O)OCC1OC(O)C(CC1O)O)CCCCCCCCCCCCC" . "CCCCCCCCCCCCCCCC(C(=O)OCC1O[C@@H](O)C(C[C@@H]1O)O)CCCCCCCCCCCCC" . "HOINWSFARNFWIP-IGIMWDRYSA-N" . "InChI=1S/C36H70O6/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-31(27-25-23-21-19-17-14-12-10-8-6-4-2)35(39)41-30-34-32(37)29-33(38)36(40)42-34/h31-34,36-38,40H,3-30H2,1-2H3/t31?,32-,33?,34?,36+/m0/s1" . "O=C(N1CCC(CC1)C(c1ccc2c(c1)OCO2)(c1ccc2c(c1)OCO2)O)OC(C(F)(F)F)C(F)(F)F" . "O=C(N1CCC(CC1)C(c1ccc2c(c1)OCO2)(c1ccc2c(c1)OCO2)O)OC(C(F)(F)F)C(F)(F)F" . "SXHQLPHDBLTFPM-UHFFFAOYSA-N" . "InChI=1S/C24H21F6NO7/c25-23(26,27)20(24(28,29)30)38-21(32)31-7-5-13(6-8-31)22(33,14-1-3-16-18(9-14)36-11-34-16)15-2-4-17-19(10-15)37-12-35-17/h1-4,9-10,13,20,33H,5-8,11-12H2" . "O=C(n1cncn1)N1CCC(CC1)C(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2" . "O=C(n1cncn1)N1CCC(CC1)C(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2" . "CLSNATLUIXZPMV-UHFFFAOYSA-N" . "InChI=1S/C23H22N4O5/c28-23(27-12-24-11-25-27)26-7-5-15(6-8-26)22(16-1-3-18-20(9-16)31-13-29-18)17-2-4-19-21(10-17)32-14-30-19/h1-4,9-12,15,22H,5-8,13-14H2" . "O=C(N(Cc1cccc(c1)c1ccccc1)C)Oc1cccc(c1)c1ccc(cc1)C(=O)N" . "O=C(N(Cc1cccc(c1)c1ccccc1)C)Oc1cccc(c1)c1ccc(cc1)C(=O)N" . "QKMMESWNJMOPIF-UHFFFAOYSA-N" . "InChI=1S/C28H24N2O3/c1-30(19-20-7-5-10-24(17-20)21-8-3-2-4-9-21)28(32)33-26-12-6-11-25(18-26)22-13-15-23(16-14-22)27(29)31/h2-18H,19H2,1H3,(H2,29,31)" . "OC(=O)CCNC(=O)c1ccc(cc1)C(Oc1cc(C)c(c(c1)C)c1ccc(cc1)C(C)(C)C)CCC(F)(F)F" . "OC(=O)CCNC(=O)c1ccc(cc1)[C@@H](Oc1cc(C)c(c(c1)C)c1ccc(cc1)C(C)(C)C)CCC(F)(F)F" . "FASLTMSUPQDLIB-MHZLTWQESA-N" . "InChI=1S/C32H36F3NO4/c1-20-18-26(19-21(2)29(20)23-10-12-25(13-11-23)31(3,4)5)40-27(14-16-32(33,34)35)22-6-8-24(9-7-22)30(39)36-17-15-28(37)38/h6-13,18-19,27H,14-17H2,1-5H3,(H,36,39)(H,37,38)/t27-/m0/s1" . "COc1cc2c(NC3CCCCCC3)nc(nc2cc1OC)N1CCC(CC1)N1CCCCC1" . "COc1cc2c(NC3CCCCCC3)nc(nc2cc1OC)N1CCC(CC1)N1CCCCC1" . "WYVBISCFCHREDA-UHFFFAOYSA-N" . "InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30)" . "CC(=O)OCC(=O)C12N=C(OC1CC1C2(C)CC(O)C2C1CCC1=CC(=O)C=CC21C)C" . "CC(=O)OCC(=O)[C@@]12N=C(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@H]2[C@H]1CCC1=CC(=O)C=C[C@]21C)C" . "FBHSPRKOSMHSIF-GRMWVWQJSA-N" . "InChI=1S/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22+,23-,24-,25+/m0/s1" . "N#Cc1ccc(cc1OCC(CNC(CC1Cc2c(C1)cccc2)(C)C)O)CCC(=O)O" . "N#Cc1ccc(cc1OC[C@@H](CNC(CC1Cc2c(C1)cccc2)(C)C)O)CCC(=O)O" . "NJBFJCJKWWIKRD-HSZRJFAPSA-N" . "InChI=1S/C26H32N2O4/c1-26(2,14-19-11-20-5-3-4-6-21(20)12-19)28-16-23(29)17-32-24-13-18(8-10-25(30)31)7-9-22(24)15-27/h3-7,9,13,19,23,28-29H,8,10-12,14,16-17H2,1-2H3,(H,30,31)/t23-/m1/s1" . "C#CCOc1ccc2c(c1)c(nc(=O)n2Cc1ccccc1)c1ccc(cc1)C(C)C" . "C#CCOc1ccc2c(c1)c(nc(=O)n2Cc1ccccc1)c1ccc(cc1)C(C)C" . "WXYYACUWOMKZQC-UHFFFAOYSA-N" . "InChI=1S/C27H24N2O2/c1-4-16-31-23-14-15-25-24(17-23)26(22-12-10-21(11-13-22)19(2)3)28-27(30)29(25)18-20-8-6-5-7-9-20/h1,5-15,17,19H,16,18H2,2-3H3" . "OC(CNC(Cc1ccc(c(c1)F)Cl)(C)C)COC(c1ccccc1c1ccc(c(c1)C)C(=O)O)C" . "O[C@H](CNC(Cc1ccc(c(c1)F)Cl)(C)C)CO[C@@H](c1ccccc1c1ccc(c(c1)C)C(=O)O)C" . "UNFHDRVFEQPUEL-DENIHFKCSA-N" . "InChI=1S/C29H33ClFNO4/c1-18-13-21(10-11-23(18)28(34)35)25-8-6-5-7-24(25)19(2)36-17-22(33)16-32-29(3,4)15-20-9-12-26(30)27(31)14-20/h5-14,19,22,32-33H,15-17H2,1-4H3,(H,34,35)/t19-,22-/m1/s1" . "OC(COc1cc(CCC(=O)O)cc(c1F)F)CNC(CC1Cc2c(C1)cccc2)(C)C" . "O[C@@H](COc1cc(CCC(=O)O)cc(c1F)F)CNC(CC1Cc2c(C1)cccc2)(C)C" . "FQJISUPNMFRIFZ-HXUWFJFHSA-N" . "InChI=1S/C25H31F2NO4/c1-25(2,13-17-9-18-5-3-4-6-19(18)10-17)28-14-20(29)15-32-22-12-16(7-8-23(30)31)11-21(26)24(22)27/h3-6,11-12,17,20,28-29H,7-10,13-15H2,1-2H3,(H,30,31)/t20-/m1/s1" . "O=C(COc1ccc(cc1)C1=[N+]2C(=Cc3n([B-]2(F)F)c(cc3)c2cccs2)C=C1)NCCCCCNC(=O)C1OC(OP(=O)(OP(=O)(OCC2OC(C(C2O)O)n2ccc(=O)[nH]c2=O)O)O)C(C(C1O)O)O" . "O=C(COc1ccc(cc1)C1=[N+]2C(=Cc3n([B-]2(F)F)c(cc3)c2cccs2)C=C1)NCCCCCNC(=O)[C@H]1O[C@H](OP(=O)(OP(=O)(OCC2OC(C(C2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O" . "DXQJLXWZLNCEJX-VBCGWZPHSA-N" . "InChI=1S/C41H47BF2N6O19P2S/c43-42(44)49-23(19-24-9-13-27(50(24)42)29-5-4-18-72-29)8-12-26(49)22-6-10-25(11-7-22)64-21-31(52)45-15-2-1-3-16-46-38(58)37-34(55)33(54)36(57)40(67-37)68-71(62,63)69-70(60,61)65-20-28-32(53)35(56)39(66-28)48-17-14-30(51)47-41(48)59/h4-14,17-19,28,32-37,39-40,53-57H,1-3,15-16,20-21H2,(H,45,52)(H,46,58)(H,60,61)(H,62,63)(H,47,51,59)/t28?,32?,33-,34-,35?,36+,37-,39?,40+/m0/s1" . "O=C(c1ccc(c(c1)C(=O)O)c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S(=O)(=O)[O-])S(=O)(=O)O)N)NCCCCCCn1nnc(c1)CCCCN1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O" . "O=C(c1ccc(c(c1)C(=O)O)c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S(=O)(=O)[O-])S(=O)(=O)O)N)NCCCCCCn1nnc(c1)CCCCN1CCC(CC1)c1ccc(cc1)c1cc(cc2c1ccc(c2)c1ccc(cc1)C(F)(F)F)C(=O)O" . "FMXSYRBHGUMFBA-UHFFFAOYSA-N" . "InChI=1S/C62H58F3N7O12S2/c63-62(64,65)44-16-12-37(13-17-44)40-14-18-46-42(31-40)32-43(60(74)75)34-50(46)39-10-8-36(9-11-39)38-24-29-71(30-25-38)27-6-3-7-45-35-72(70-69-45)28-5-2-1-4-26-68-59(73)41-15-19-47(51(33-41)61(76)77)54-48-20-22-52(66)57(85(78,79)80)55(48)84-56-49(54)21-23-53(67)58(56)86(81,82)83/h8-23,31-35,38,66H,1-7,24-30,67H2,(H,68,73)(H,74,75)(H,76,77)(H,78,79,80)(H,81,82,83)" . "CN1CCN(CC1)C(=O)c1cccc(c1OC(C)C)NC(=O)c1csc2c1nc[nH]c2=O" . "CN1CCN(CC1)C(=O)c1cccc(c1OC(C)C)NC(=O)c1csc2c1nc[nH]c2=O" . "MJJJFOLDERHCND-UHFFFAOYSA-N" . "InChI=1S/C22H25N5O4S/c1-13(2)31-18-14(22(30)27-9-7-26(3)8-10-27)5-4-6-16(18)25-20(28)15-11-32-19-17(15)23-12-24-21(19)29/h4-6,11-13H,7-10H2,1-3H3,(H,25,28)(H,23,24,29)" . "O=C1NC(C)(C)N(c2c1ccc(c2)n1c(=O)[nH]c2c1cccn2)C(c1ccccc1)C" . "O=C1NC(C)(C)N(c2c1ccc(c2)n1c(=O)[nH]c2c1cccn2)[C@@H](c1ccccc1)C" . "WNYKGJHEQVIFGL-OAHLLOKOSA-N" . "InChI=1S/C24H23N5O2/c1-15(16-8-5-4-6-9-16)29-20-14-17(11-12-18(20)22(30)27-24(29,2)3)28-19-10-7-13-25-21(19)26-23(28)31/h4-15H,1-3H3,(H,27,30)(H,25,26,31)/t15-/m1/s1" . "O=C(COc1ccc(cc1)CCCONc1ccn(c(=O)n1)C1OC(C(C1O)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O)NCCc1nnn(c1)CCCNC(=O)CCCCCNC(=O)COc1ccc(cc1)C=Cc1ccc2n1[B-](F)(F)[N+]1=C(C=CC1=C2)c1cccs1" . "O=C(COc1ccc(cc1)CCCONc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O)NCCc1nnn(c1)CCCNC(=O)CCCCCNC(=O)COc1ccc(cc1)/C=C/c1ccc2n1[B-](F)(F)[N+]1=C(C=CC1=C2)c1cccs1" . "IKFGJXBDIZQEHP-NJFIWEGUSA-N" . "InChI=1S/C56H67BF2N11O20P3S/c58-57(59)69-41(16-17-42(69)33-43-18-23-46(70(43)57)48-8-5-32-94-48)15-10-39-13-21-45(22-14-39)84-36-51(72)61-26-3-1-2-9-50(71)60-27-6-29-67-34-40(64-66-67)24-28-62-52(73)37-85-44-19-11-38(12-20-44)7-4-31-86-65-49-25-30-68(56(76)63-49)55-54(75)53(74)47(88-55)35-87-92(80,81)90-93(82,83)89-91(77,78)79/h5,8,10-23,25,30,32-34,47,53-55,74-75H,1-4,6-7,9,24,26-29,31,35-37H2,(H,60,71)(H,61,72)(H,62,73)(H,80,81)(H,82,83)(H,63,65,76)(H2,77,78,79)/b15-10+/t47-,53-,54-,55-/m1/s1" . "COc1ccc(cc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O" . "COc1ccc(cc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O" . "MURCBJRRFKMCAT-UHFFFAOYSA-N" . "InChI=1S/C21H16N2O6S/c1-29-12-8-6-11(7-9-12)23-15-10-16(30(26,27)28)19(22)18-17(15)20(24)13-4-2-3-5-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)" . "COc1ccc(cn1)N(S(=O)(=O)c1ccccc1C)CC(=O)N(Cc1cccnc1)CC" . "CCN(C(=O)CN(S(=O)(=O)c1ccccc1C)c1ccc(nc1)OC([3H])([3H])[3H])Cc1ccc(nc1)[3H]" . "KJPHTXTWFHVJIG-MJVMYBOOSA-N" . "InChI=1S/C23H26N4O4S/c1-4-26(16-19-9-7-13-24-14-19)23(28)17-27(20-11-12-22(31-3)25-15-20)32(29,30)21-10-6-5-8-18(21)2/h5-15H,4,16-17H2,1-3H3/i3T3,13T" . "O=C(C1CCCCC1)Nc1cc(Nc2ccc(c(c2)Cl)Cl)nc2c1cccc2" . "O=C(C1CCCCC1)Nc1cc(Nc2ccc(c(c2)Cl)Cl)nc2c1cccc2" . "UWEIQVQNNLVOEI-UHFFFAOYSA-N" . "InChI=1S/C22H21Cl2N3O/c23-17-11-10-15(12-18(17)24)25-21-13-20(16-8-4-5-9-19(16)26-21)27-22(28)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2,(H2,25,26,27,28)" . "CNC(=O)C(N1CCc2c(C1CCc1ccc(nc1)C(F)(F)F)cc(c(c2)OC)OC)c1ccccc1" . "CNC(=O)[C@H](N1CCc2c([C@@H]1CCc1ccc(nc1[3H])C(F)(F)F)cc(c(c2)OC)OC)c1ccccc1[3H]" . "FIINKDGVMNTVCW-UCOREUHWSA-N" . "InChI=1S/C28H30F3N3O3/c1-32-27(35)26(19-7-5-4-6-8-19)34-14-13-20-15-23(36-2)24(37-3)16-21(20)22(34)11-9-18-10-12-25(33-17-18)28(29,30)31/h4-8,10,12,15-17,22,26H,9,11,13-14H2,1-3H3,(H,32,35)/t22-,26+/m0/s1/i7T,17T" . "CNC(=O)C(N1CCc2c(C1CCc1ccc(cc1)C(F)(F)F)cc(c(c2)OC)OC)c1ccccc1" . "CNC(=O)[C@@H](c1c([3H])cccc1[3H])N1CCc2c([C@@H]1CCc1ccc(cc1)C(F)(F)F)cc(c(c2)OC)OC" . "DKMACHNQISHMDN-AJYYXEBVSA-N" . "InChI=1S/C29H31F3N2O3/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35)/t24-,27+/m0/s1/i7T,8T" . "C#CCC(C=CC=CC#CC(CCCC(=O)OC(C)C)O)O" . "C#CC[C@H](/C=C/C=C/C#C[C@H](CCCC(=O)OC(C)C)O)O" . "ZVOCIIHCJJEFRQ-BHXBHYJPSA-N" . "InChI=1S/C18H24O4/c1-4-10-16(19)11-7-5-6-8-12-17(20)13-9-14-18(21)22-15(2)3/h1,5-7,11,15-17,19-20H,9-10,13-14H2,2-3H3/b6-5+,11-7+/t16-,17-/m1/s1" . "OCc1cccnc1n1nc(c(c1)CN1CCC2(CC1)OCC(c1c2sc(c1)Cl)(F)F)C" . "OCc1cccnc1n1nc(c(c1)CN1CCC2(CC1)OCC(c1c2sc(c1)Cl)(F)F)C" . "NKQHBJNRBKHUQR-UHFFFAOYSA-N" . "InChI=1S/C22H23ClF2N4O2S/c1-14-16(11-29(27-14)20-15(12-30)3-2-6-26-20)10-28-7-4-21(5-8-28)19-17(9-18(23)32-19)22(24,25)13-31-21/h2-3,6,9,11,30H,4-5,7-8,10,12-13H2,1H3" . "CC(=O)NC(C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1c[nH]c2c1cccc2" . "CC(=O)N[C@H](C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1c[nH]c2c1cccc2" . "BYYQYXVAWXAYQC-IBGZPJMESA-N" . "InChI=1S/C22H18F6N2O3/c1-12(31)30-19(8-14-10-29-18-5-3-2-4-17(14)18)20(32)33-11-13-6-15(21(23,24)25)9-16(7-13)22(26,27)28/h2-7,9-10,19,29H,8,11H2,1H3,(H,30,31)/t19-/m0/s1" . "Brc1cccc(c1)C(=NNC(=O)C1C(=O)NCC1c1ccccc1)C" . "Brc1cccc(c1)/C(=N/NC(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1)/C" . "RQKXQCSEZPQBNZ-QSBCOWLBSA-N" . "InChI=1S/C19H18BrN3O2/c1-12(14-8-5-9-15(20)10-14)22-23-19(25)17-16(11-21-18(17)24)13-6-3-2-4-7-13/h2-10,16-17H,11H2,1H3,(H,21,24)(H,23,25)/b22-12+/t16-,17-/m0/s1" . "OCc1c(c2ccccc2)c2c(n1C)ccc(c2)[N+](=O)[O-]" . "OCc1c(c2ccccc2)c2c(n1C)ccc(c2)[N+](=O)[O-]" . "GNJUKVGDCUKDLF-UHFFFAOYSA-N" . "InChI=1S/C16H14N2O3/c1-17-14-8-7-12(18(20)21)9-13(14)16(15(17)10-19)11-5-3-2-4-6-11/h2-9,19H,10H2,1H3" . "COC(=O)C(c1ccccc1)C1CCCCN1" . "COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1" . "DUGOZIWVEXMGBE-CHWSQXEVSA-N" . "InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m1/s1" . "CCOC(=O)c1ccc(cc1)c1nn(c2c1cccc2)Cc1ccccc1" . "CCOC(=O)c1ccc(cc1)c1nn(c2c1cccc2)Cc1ccccc1" . "LPROLPQTWKDPNU-UHFFFAOYSA-N" . "InChI=1S/C23H20N2O2/c1-2-27-23(26)19-14-12-18(13-15-19)22-20-10-6-7-11-21(20)25(24-22)16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3" . "O=C(C1C(=O)NCC1c1ccccc1)NN=C(c1cccs1)C" . "O=C([C@@H]1C(=O)NC[C@H]1c1ccccc1)N/N=C(/c1cccs1)/C" . "GNFXCDMTRHENBV-CJINARDKSA-N" . "InChI=1S/C17H17N3O2S/c1-11(14-8-5-9-23-14)19-20-17(22)15-13(10-18-16(15)21)12-6-3-2-4-7-12/h2-9,13,15H,10H2,1H3,(H,18,21)(H,20,22)/b19-11+/t13-,15-/m0/s1" . "Brc1cccc(c1)C(=NNC(=O)C(c1n[nH]c(=O)c2c1cccc2)NC(=O)c1ccccc1)C" . "Brc1cccc(c1)/C(=N/NC(=O)C(c1n[nH]c(=O)c2c1cccc2)NC(=O)c1ccccc1)/C" . "UCUHFWIFSHROPY-RWPZCVJISA-N" . "InChI=1S/C25H20BrN5O3/c1-15(17-10-7-11-18(26)14-17)28-31-25(34)22(27-23(32)16-8-3-2-4-9-16)21-19-12-5-6-13-20(19)24(33)30-29-21/h2-14,22H,1H3,(H,27,32)(H,30,33)(H,31,34)/b28-15+" . "CC(=CCOc1cc(nc2c1cccc2OCC=C(C)C)C(=O)OCC=C(C)C)C" . "CC(=CCOc1cc(nc2c1cccc2OCC=C(C)C)C(=O)OCC=C(C)C)C" . "APPXFGJVXDYNBO-UHFFFAOYSA-N" . "InChI=1S/C25H31NO4/c1-17(2)10-13-28-22-9-7-8-20-23(29-14-11-18(3)4)16-21(26-24(20)22)25(27)30-15-12-19(5)6/h7-12,16H,13-15H2,1-6H3" . "CC(c1ccc(cc1)OS(=O)(=O)C(F)(F)F)NC(=O)CCCN1CCCCC1" . "C[C@H](c1ccc(cc1)OS(=O)(=O)C(F)(F)F)NC(=O)CCCN1CCCCC1" . "QCZKLPFIGVYGPA-CQSZACIVSA-N" . "InChI=1S/C18H25F3N2O4S/c1-14(22-17(24)6-5-13-23-11-3-2-4-12-23)15-7-9-16(10-8-15)27-28(25,26)18(19,20)21/h7-10,14H,2-6,11-13H2,1H3,(H,22,24)/t14-/m1/s1" . "O=C(C1CCCN(C1c1ccc(cc1)NC1CCCC1)C(=O)c1c(C)cccc1F)Nc1ccc(c(c1)C(F)(F)F)C" . "O=C([C@H]1CCCN([C@H]1c1ccc(cc1)NC1CCCC1)C(=O)c1c(C)cccc1F)Nc1ccc(c(c1)C(F)(F)F)C" . "PUKBOVABABRILL-YZNIXAGQSA-N" . "InChI=1S/C33H35F4N3O2/c1-20-12-15-25(19-27(20)33(35,36)37)39-31(41)26-10-6-18-40(32(42)29-21(2)7-5-11-28(29)34)30(26)22-13-16-24(17-14-22)38-23-8-3-4-9-23/h5,7,11-17,19,23,26,30,38H,3-4,6,8-10,18H2,1-2H3,(H,39,41)/t26-,30-/m0/s1" . "CC(CC(c1occ(n1)C(=O)NC(C(=O)O)CCCN=C(N)N)NC(=O)c1c[nH]c2c1cccc2)C" . "CC(C[C@@H](c1occ(n1)C(=O)N[C@H](C(=O)O)CCCN=C(N)N)NC(=O)c1c[nH]c2c1cccc2)C" . "WGEOKEOSKNNXJR-ROUUACIJSA-N" . "InChI=1S/C24H31N7O5/c1-13(2)10-18(30-20(32)15-11-28-16-7-4-3-6-14(15)16)22-31-19(12-36-22)21(33)29-17(23(34)35)8-5-9-27-24(25)26/h3-4,6-7,11-13,17-18,28H,5,8-10H2,1-2H3,(H,29,33)(H,30,32)(H,34,35)(H4,25,26,27)/t17-,18-/m0/s1" . "CCC(n1c(Cc2cccs2)nc2c1ccc(c2)C(=O)NC(CC(=O)O)CC(C)C)CC" . "CCC(n1c(Cc2cccs2)nc2c1ccc(c2)C(=O)N[C@H](CC(=O)O)CC(C)C)CC" . "VCQKKZXFASLXAH-SFHVURJKSA-N" . "InChI=1S/C25H33N3O3S/c1-5-19(6-2)28-22-10-9-17(25(31)26-18(12-16(3)4)14-24(29)30)13-21(22)27-23(28)15-20-8-7-11-32-20/h7-11,13,16,18-19H,5-6,12,14-15H2,1-4H3,(H,26,31)(H,29,30)/t18-/m0/s1" . "Clc1ccc(cc1Cl)Nc1nc2ccccc2c2c1[nH]c(n2)C1CCCCC1" . "Clc1ccc(cc1Cl)Nc1nc2ccccc2c2c1[nH]c(n2)C1CCCCC1" . "UWJVRSIGHHSDSJ-UHFFFAOYSA-N" . "InChI=1S/C22H20Cl2N4/c23-16-11-10-14(12-17(16)24)25-22-20-19(15-8-4-5-9-18(15)26-22)27-21(28-20)13-6-2-1-3-7-13/h4-5,8-13H,1-3,6-7H2,(H,25,26)(H,27,28)" . "Nc1sc(c(c1C(=O)c1cccc(c1)C(F)(F)F)C)C" . "Nc1sc(c(c1C(=O)c1cccc(c1)C(F)(F)F)C)C" . "KKDKAWKYGCUOGR-UHFFFAOYSA-N" . "InChI=1S/C14H12F3NOS/c1-7-8(2)20-13(18)11(7)12(19)9-4-3-5-10(6-9)14(15,16)17/h3-6H,18H2,1-2H3" . "O=S(=O)(c1cnc2c(c1)cccc2N1CCNCC1)c1ccccc1" . "O=S(=O)(c1cnc2c(c1)cccc2N1CCNCC1)c1ccccc1" . "JJZFWROHYSMCMU-UHFFFAOYSA-N" . "InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2" . "CN(Cc1ccc2c(c1)C(C)CN(C2)C(=O)c1cc2c(n1C)cnc(c2)Br)C" . "CN(Cc1ccc2c(c1)C(C)CN(C2)C(=O)c1cc2c(n1C)cnc(c2)Br)C" . "BSGIKRCNMBTGEB-UHFFFAOYSA-N" . "InChI=1S/C22H25BrN4O/c1-14-11-27(13-16-6-5-15(7-18(14)16)12-25(2)3)22(28)19-8-17-9-21(23)24-10-20(17)26(19)4/h5-10,14H,11-13H2,1-4H3" . "NCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C(C)C)CS)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(N)C)CS)Cc1ccccc1" . "NCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CS)Cc1ccc(cc1)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CS)Cc1ccccc1" . "AJUZRHILBXDUEG-LSKWFVNGSA-N" . "InChI=1S/C48H64N10O10S2/c1-26(2)40(48(67)68)58-47(66)39(25-70)57-44(63)36(21-29-15-17-31(59)18-16-29)53-42(61)34(14-9-19-49)52-45(64)37(22-30-23-51-33-13-8-7-12-32(30)33)55-43(62)35(20-28-10-5-4-6-11-28)54-46(65)38(24-69)56-41(60)27(3)50/h4-8,10-13,15-18,23,26-27,34-40,51,59,69-70H,9,14,19-22,24-25,49-50H2,1-3H3,(H,52,64)(H,53,61)(H,54,65)(H,55,62)(H,56,60)(H,57,63)(H,58,66)(H,67,68)/t27-,34-,35-,36-,37-,38-,39-,40-/m0/s1" . "CCN1CCN(CC1)c1cccc2c1CN(C2=O)C(c1ccc(c(c1)OC)OC)CCCNS(=O)(=O)c1cccs1" . "CCN1CCN(CC1)c1cccc2c1CN(C2=O)[C@@H](c1ccc(c(c1)OC)OC)CCCNS(=O)(=O)c1cccs1" . "MWCLCGKVMLYVJI-RUZDIDTESA-N" . "InChI=1S/C30H38N4O5S2/c1-4-32-15-17-33(18-16-32)26-9-5-8-23-24(26)21-34(30(23)35)25(22-12-13-27(38-2)28(20-22)39-3)10-6-14-31-41(36,37)29-11-7-19-40-29/h5,7-9,11-13,19-20,25,31H,4,6,10,14-18,21H2,1-3H3/t25-/m1/s1" . "CCc1cc(O)c(cc1c1ccc2c(c1)[nH]nc2c1nc2c([nH]1)CCN(C2)C(=O)c1cnc(cn1)N1CCCCC1)F" . "CCc1cc(O)c(cc1c1ccc2c(c1)[nH]nc2c1nc2c([nH]1)CCN(C2)C(=O)c1cnc(cn1)N1CCCCC1)F" . "XDJGNPSZQSWJCV-UHFFFAOYSA-N" . "InChI=1S/C31H31FN8O2/c1-2-18-13-27(41)22(32)14-21(18)19-6-7-20-24(12-19)37-38-29(20)30-35-23-8-11-40(17-26(23)36-30)31(42)25-15-34-28(16-33-25)39-9-4-3-5-10-39/h6-7,12-16,41H,2-5,8-11,17H2,1H3,(H,35,36)(H,37,38)" . "Clc1ccc(c(c1)F)N1C(C2CCCCC2)C(=C(C1=O)O)C(=O)C" . "Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C" . "VQNLJXWZGVRLBA-MRXNPFEDSA-N" . "InChI=1S/C18H19ClFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3/t16-/m1/s1" . "CCCC1CC(CCC1N1CCC(C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C" . "CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C" . "NUJWKQSEJDYCDB-GNRVTEMESA-N" . "InChI=1S/C26H36F3N5O/c1-5-6-17-13-19(33(4)16(2)3)8-10-23(17)34-12-11-22(25(34)35)32-24-20-14-18(26(27,28)29)7-9-21(20)30-15-31-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,30,31,32)/t17-,19-,22+,23+/m1/s1" . "Nc1ncccc1c1nc2c(n1c1ccc(cc1)C1(N)CCC1)nc(cc2)c1ccccc1" . "Nc1ncccc1c1nc2c(n1c1ccc(cc1)C1(N)CCC1)nc(cc2)c1ccccc1" . "HNFMVVHMKGFCMB-UHFFFAOYSA-N" . "InChI=1S/C27H24N6/c28-24-21(8-4-17-30-24)25-32-23-14-13-22(18-6-2-1-3-7-18)31-26(23)33(25)20-11-9-19(10-12-20)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30)" . "CNC(=O)c1c(C)oc2c1ccc(c2)Oc1ncnc2c1cc(OC)c(c2)OC" . "CNC(=O)c1c(C)oc2c1ccc(c2)Oc1ncnc2c1cc(OC)c(c2)OC" . "BALLNEJQLSTPIO-UHFFFAOYSA-N" . "InChI=1S/C21H19N3O5/c1-11-19(20(25)22-2)13-6-5-12(7-16(13)28-11)29-21-14-8-17(26-3)18(27-4)9-15(14)23-10-24-21/h5-10H,1-4H3,(H,22,25)" . "COc1cc(ccc1Nc1nc2n(n1)cc(cc2)c1ccc(cc1)NC(=O)C(c1ccc(cc1)F)C)S(=O)(=O)C" . "COc1cc(ccc1Nc1nc2n(n1)cc(cc2)c1ccc(cc1)NC(=O)[C@@H](c1ccc(cc1)F)C)S(=O)(=O)C" . "NRJKIOCCERLIDG-GOSISDBHSA-N" . "InChI=1S/C29H26FN5O4S/c1-18(19-4-9-22(30)10-5-19)28(36)31-23-11-6-20(7-12-23)21-8-15-27-33-29(34-35(27)17-21)32-25-14-13-24(40(3,37)38)16-26(25)39-2/h4-18H,1-3H3,(H,31,36)(H,32,34)/t18-/m1/s1" . "ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1Cl)c1ccccc1" . "ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1Cl)c1ccccc1" . "VLIUIBXPEDFJRF-UHFFFAOYSA-N" . "InChI=1S/C24H26ClN5O3/c25-20-12-7-8-13-21(20)30(19-10-4-3-5-11-19)24-27-16-18(17-28-24)23(32)26-15-9-2-1-6-14-22(31)29-33/h3-5,7-8,10-13,16-17,33H,1-2,6,9,14-15H2,(H,26,32)(H,29,31)" . "CC(N1CCN(CC1)Cc1cnc(o1)c1cc(cc2c1cn[nH]2)c1cccc2c1cc[nH]2)C" . "CC(N1CCN(CC1)Cc1cnc(o1)c1cc(cc2c1cn[nH]2)c1cccc2c1cc[nH]2)C" . "MCIDWGZGWVSZMK-UHFFFAOYSA-N" . "InChI=1S/C26H28N6O/c1-17(2)32-10-8-31(9-11-32)16-19-14-28-26(33-19)22-12-18(13-25-23(22)15-29-30-25)20-4-3-5-24-21(20)6-7-27-24/h3-7,12-15,17,27H,8-11,16H2,1-2H3,(H,29,30)" . "CCC(=O)N1CCC(C1)Nc1ncnc2c1CN(CC2)c1cnc(c(c1)C(F)(F)F)OC" . "CCC(=O)N1CC[C@@H](C1)Nc1ncnc2c1CN(CC2)c1cnc(c(c1)C(F)(F)F)OC" . "MWKYMZXCGYXLPL-ZDUSSCGKSA-N" . "InChI=1S/C21H25F3N6O2/c1-3-18(31)30-6-4-13(10-30)28-19-15-11-29(7-5-17(15)26-12-27-19)14-8-16(21(22,23)24)20(32-2)25-9-14/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,26,27,28)/t13-/m0/s1" . "Clc1ccc(c(c1)S(=O)(=O)Nc1ccc(cc1)c1cnc2c(n1)n[nH]c2N)F" . "Clc1ccc(c(c1)S(=O)(=O)Nc1ccc(cc1)c1cnc2c(n1)n[nH]c2N)F" . "DDKHTWASHUKHLD-UHFFFAOYSA-N" . "InChI=1S/C17H12ClFN6O2S/c18-10-3-6-12(19)14(7-10)28(26,27)25-11-4-1-9(2-5-11)13-8-21-15-16(20)23-24-17(15)22-13/h1-8,25H,(H3,20,22,23,24)" . "O=C1OC(=NC1=Cc1cccnc1)c1ccc(c(c1)C)Br" . "O=C1OC(=N/C/1=C/c1cccnc1)c1ccc(c(c1)C)Br" . "AIDLMCGWDDGYCV-RIYZIHGNSA-N" . "InChI=1S/C16H11BrN2O2/c1-10-7-12(4-5-13(10)17)15-19-14(16(20)21-15)8-11-3-2-6-18-9-11/h2-9H,1H3/b14-8+" . "OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C" . "OC(=O)[C@H](c1ccc(c(c1)F)c1ccccc1)C" . "SYTBZMRGLBWNTM-JTQLQIEISA-N" . "InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1" . "O=C(C(C)(C)C)C(=Cc1cccc(c1)[N+](=O)[O-])n1cncn1" . "O=C(C(C)(C)C)/C(=C/c1cccc(c1)[N+](=O)[O-])/n1cncn1" . "VKSOIYNNOFGGES-JYRVWZFOSA-N" . "InChI=1S/C15H16N4O3/c1-15(2,3)14(20)13(18-10-16-9-17-18)8-11-5-4-6-12(7-11)19(21)22/h4-10H,1-3H3/b13-8-" . "COCCOC1C(OP(=O)(OCC2OC(C(C2OP(=O)(OCC2OC(C(C2OP(=O)(OCC2OC(C(C2OP(=O)(OCC2OC(C(C2OP(=O)(OCC2OC(C(C2OP(=O)(OCC2OC(C(C2OP(=O)(OCC2OC(C(C2OP(=O)(OCC2OC(C(C2OP(=O)(OCC2OC(C(C2O)OCCOC)n2cnc3c2nc(N)[nH]c3=O)S)OCCOC)n2cnc3c2nc(N)[nH]c3=O)S)OCCOC)n2cc(C)c(=O)[nH]c2=O)S)OCCOC)n2cc(C)c(nc2=O)N)S)OCCOC)n2cnc3c2nc(N)[nH]c3=O)S)OCCOC)n2cc(C)c(=O)[nH]c2=O)S)OCCOC)n2cnc3c2ncnc3N)S)OCCOC)n2cnc3c2ncnc3N)S)OCCOC)n2cc(C)c(=O)[nH]c2=O)S)C(OC1n1cnc2c1ncnc2N)COP(=O)(OC1C(COP(=O)(OC2C(COP(=O)(OC3C(COP(=O)(OC4C(COP(=O)(OC5C(COP(=O)(OC6C(COP(=O)(OC7C(COP(=O)(OC8C(CO)OC(C8OCCOC)n8cc(C)c(=O)[nH]c8=O)S)OC(C7OCCOC)n7cc(C)c(nc7=O)N)S)OC(C6OCCOC)n6cnc7c6ncnc7N)S)OC(C5OCCOC)n5cc(C)c(nc5=O)N)S)OC(C4OCCOC)n4cc(C)c(=O)[nH]c4=O)S)OC(C3OCCOC)n3cc(C)c(=O)[nH]c3=O)S)OC(C2OCCOC)n2cc(C)c(=O)[nH]c2=O)S)OC(C1OCCOC)n1cc(C)c(nc1=O)N)S" . "COCCO[C@@H]1[C@H](OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)OCCOC)n2cnc3c2nc(N)[nH]c3=O)S)OCCOC)n2cnc3c2nc(N)[nH]c3=O)S)OCCOC)n2cc(C)c(=O)[nH]c2=O)S)OCCOC)n2cc(C)c(nc2=O)N)S)OCCOC)n2cnc3c2nc(N)[nH]c3=O)S)OCCOC)n2cc(C)c(=O)[nH]c2=O)S)OCCOC)n2cnc3c2ncnc3N)S)OCCOC)n2cnc3c2ncnc3N)S)OCCOC)n2cc(C)c(=O)[nH]c2=O)S)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)(O[C@@H]1[C@@H](COP(=O)(O[C@@H]2[C@@H](COP(=O)(O[C@@H]3[C@@H](COP(=O)(O[C@@H]4[C@@H](COP(=O)(O[C@@H]5[C@@H](COP(=O)(O[C@@H]6[C@@H](COP(=O)(O[C@@H]7[C@@H](COP(=O)(O[C@@H]8[C@@H](CO)O[C@H]([C@@H]8OCCOC)n8cc(C)c(=O)[nH]c8=O)S)O[C@H]([C@@H]7OCCOC)n7cc(C)c(nc7=O)N)S)O[C@H]([C@@H]6OCCOC)n6cnc7c6ncnc7N)S)O[C@H]([C@@H]5OCCOC)n5cc(C)c(nc5=O)N)S)O[C@H]([C@@H]4OCCOC)n4cc(C)c(=O)[nH]c4=O)S)O[C@H]([C@@H]3OCCOC)n3cc(C)c(=O)[nH]c3=O)S)O[C@H]([C@@H]2OCCOC)n2cc(C)c(=O)[nH]c2=O)S)O[C@H]([C@@H]1OCCOC)n1cc(C)c(nc1=O)N)S" . "WWFDJIVIDXJAQR-FFWSQMGZSA-N" . "OCC(C1OC(=O)C(=O)C1=O)O" . "OC[C@@H]([C@H]1OC(=O)C(=O)C1=O)O" . "SBJKKFFYIZUCET-JLAZNSOCSA-N" . "InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1" . "O=C(Nc1ccc(cc1Cl)Br)NC1COC(OC1c1ccccc1)(C)C" . "O=C(Nc1ccc(cc1Cl)Br)N[C@H]1COC(O[C@H]1c1ccccc1)(C)C" . "HHNAHVCOGFTMSQ-IRXDYDNUSA-N" . "InChI=1S/C19H20BrClN2O3/c1-19(2)25-11-16(17(26-19)12-6-4-3-5-7-12)23-18(24)22-15-9-8-13(20)10-14(15)21/h3-10,16-17H,11H2,1-2H3,(H2,22,23,24)/t16-,17-/m0/s1" . "C=CC(=O)N1CCC(=Cc2ccc(c(c2)[N+](=O)[O-])F)C(=O)C(=Cc2ccc(c(c2)[N+](=O)[O-])F)C1" . "C=CC(=O)N1CC/C(=C/c2ccc(c(c2)[N+](=O)[O-])F)/C(=O)/C(=C/c2ccc(c(c2)[N+](=O)[O-])F)/C1" . "SCKXBVLYWLLALY-CQRYCMKKSA-N" . "InChI=1S/C23H17F2N3O6/c1-2-22(29)26-8-7-16(9-14-3-5-18(24)20(11-14)27(31)32)23(30)17(13-26)10-15-4-6-19(25)21(12-15)28(33)34/h2-6,9-12H,1,7-8,13H2/b16-9-,17-10-" . "CCCN(C1CCc2c(C1)cc(cc2)O)CCC" . "CCCN(C1CCc2c(C1)cc(cc2)O)CCC" . "BLYMJBIZMIGWFK-UHFFFAOYSA-N" . "InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3" . "N#CC(Cc1ccc(cc1)c1ccc2c(c1)n(C)c(=O)o2)NC(=O)C1CNCCCO1" . "N#C[C@H](Cc1ccc(cc1)c1ccc2c(c1)n(C)c(=O)o2)NC(=O)[C@@H]1CNCCCO1" . "AEXFXNFMSAAELR-RXVVDRJESA-N" . "InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1" . "CN(CC=CC(=O)Nc1ncc2c(c1)c(ncn2)Nc1ccc(c(c1)Br)Cl)C" . "CN(C/C=C/C(=O)Nc1ncc2c(c1)c(ncn2)Nc1ccc(c(c1)Br)Cl)C" . "QBACGOWRJDBXSG-ONEGZZNKSA-N" . "InChI=1S/C19H18BrClN6O/c1-27(2)7-3-4-18(28)26-17-9-13-16(10-22-17)23-11-24-19(13)25-12-5-6-15(21)14(20)8-12/h3-6,8-11H,7H2,1-2H3,(H,22,26,28)(H,23,24,25)/b4-3+" . "O=C(Nc1ncc2c(c1)c(ncn2)Nc1ccc(c(c1)Br)Cl)C=CC[N+](Cc1n(C)cnc1[N+](=O)[O-])(C)C" . "O=C(Nc1ncc2c(c1)c(ncn2)Nc1ccc(c(c1)Br)Cl)/C=C/C[N+](Cc1n(C)cnc1[N+](=O)[O-])(C)C" . "MUJMYVFVAWFUJL-SNAWJCMRSA-O" . "InChI=1S/C24H23BrClN9O3/c1-33-14-30-24(34(37)38)20(33)12-35(2,3)8-4-5-22(36)32-21-10-16-19(11-27-21)28-13-29-23(16)31-15-6-7-18(26)17(25)9-15/h4-7,9-11,13-14H,8,12H2,1-3H3,(H-,27,28,29,31,32,36)/p+1/b5-4+" . "CCc1c(ccc(c1C)O)C(=O)NNC(=O)C(c1cc(F)cc(c1)F)O" . "CCc1c(ccc(c1C)O)C(=O)NNC(=O)C(c1cc(F)cc(c1)F)O" . "SSNAPUUWBPZGOY-UHFFFAOYSA-N" . "InChI=1S/C18H18F2N2O4/c1-3-13-9(2)15(23)5-4-14(13)17(25)21-22-18(26)16(24)10-6-11(19)8-12(20)7-10/h4-8,16,23-24H,3H2,1-2H3,(H,21,25)(H,22,26)" . "COc1cc(ccc1Nc1ncc(c(n1)NC)Cl)C(=O)N1CCOCC1" . "COc1cc(ccc1Nc1ncc(c(n1)NC)Cl)C(=O)N1CCOCC1" . "YEVOZZZLKJKCCD-UHFFFAOYSA-N" . "InChI=1S/C17H20ClN5O3/c1-19-15-12(18)10-20-17(22-15)21-13-4-3-11(9-14(13)25-2)16(24)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22)" . "CCOc1cc(ccc1Nc1ncc2c(n1)n(C1CCCC1)c1ccccc1c(=O)n2C)C(=O)N1CCC(CC1)N1CCN(CC1)C" . "CCOc1cc(ccc1Nc1ncc2c(n1)n(C1CCCC1)c1ccccc1c(=O)n2C)C(=O)N1CCC(CC1)N1CCN(CC1)C" . "XVBGRTMNFNMINE-UHFFFAOYSA-N" . "InChI=1S/C36H46N8O3/c1-4-47-32-23-25(34(45)43-17-15-26(16-18-43)42-21-19-40(2)20-22-42)13-14-29(32)38-36-37-24-31-33(39-36)44(27-9-5-6-10-27)30-12-8-7-11-28(30)35(46)41(31)3/h7-8,11-14,23-24,26-27H,4-6,9-10,15-22H2,1-3H3,(H,37,38,39)" . "NCCCCCCNc1cc(NCc2ccccc2)n2c(n1)c(cn2)C(C)C" . "NCCCCCCNc1cc(NCc2ccccc2)n2c(n1)c(cn2)C(C)C" . "DNYBIOICMDTDAP-UHFFFAOYSA-N" . "InChI=1S/C22H32N6/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27)" . "Clc1ccc(cc1)c1nn(c2c1c(N)ncn2)C(C)(C)C" . "Clc1ccc(cc1)c1nn(c2c1c(N)ncn2)C(C)(C)C" . "PBBRWFOVCUAONR-UHFFFAOYSA-N" . "InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)" . "COc1cc(ccc1Nc1ncc2c(n1)N(CC(C(=O)N2C)(F)F)C1CCCC1)C(=O)NC1CCN(CC1)C" . "COc1cc(ccc1Nc1ncc2c(n1)N(CC(C(=O)N2C)(F)F)C1CCCC1)C(=O)NC1CCN(CC1)C" . "DJNZZLZKAXGMMC-UHFFFAOYSA-N" . "InChI=1S/C27H35F2N7O3/c1-34-12-10-18(11-13-34)31-24(37)17-8-9-20(22(14-17)39-3)32-26-30-15-21-23(33-26)36(19-6-4-5-7-19)16-27(28,29)25(38)35(21)2/h8-9,14-15,18-19H,4-7,10-13,16H2,1-3H3,(H,31,37)(H,30,32,33)" . "CN(CCCc1cnc(c(c1)Nc1ncc2c(n1)c1ccc(cc1NC(=S)C2)C(F)(F)F)C)C" . "CN(CCCc1cnc(c(c1)Nc1ncc2c(n1)c1ccc(cc1NC(=S)C2)C(F)(F)F)C)C" . "CODBZFJPKJDNDT-UHFFFAOYSA-N" . "InChI=1S/C24H25F3N6S/c1-14-19(9-15(12-28-14)5-4-8-33(2)3)31-23-29-13-16-10-21(34)30-20-11-17(24(25,26)27)6-7-18(20)22(16)32-23/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,30,34)(H,29,31,32)" . "CCc1cccc(c1NC(=O)c1nn(c2c1CCc1c2nc(nc1)Nc1ccc(cc1OC(F)(F)F)C(=O)NC1CCN(CC1)C)C)CC" . "CCc1cccc(c1NC(=O)c1nn(c2c1CCc1c2nc(nc1)Nc1ccc(cc1OC(F)(F)F)C(=O)NC1CCN(CC1)C)C)CC" . "JFOAJUGFHDCBJJ-UHFFFAOYSA-N" . "InChI=1S/C35H39F3N8O3/c1-5-20-8-7-9-21(6-2)28(20)42-33(48)30-25-12-10-23-19-39-34(43-29(23)31(25)46(4)44-30)41-26-13-11-22(18-27(26)49-35(36,37)38)32(47)40-24-14-16-45(3)17-15-24/h7-9,11,13,18-19,24H,5-6,10,12,14-17H2,1-4H3,(H,40,47)(H,42,48)(H,39,41,43)" . "COc1c(C)cnc(c1C)Cn1cnc2c1nc(N)nc2Cl" . "COc1c(C)cnc(c1C)Cn1cnc2c1nc(N)nc2Cl" . "QULDDKSCVCJTPV-UHFFFAOYSA-N" . "InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)" . "COc1cc(ccc1Nc1ncc2c(n1)n(C1CCCC1)c(=O)n2C)OC1CCN(CC1)C" . "COc1cc(ccc1Nc1ncc2c(n1)n(C1CCCC1)c(=O)n2C)OC1CCN(CC1)C" . "YUKWVHPTFRQHMF-UHFFFAOYSA-N" . "InChI=1S/C24H32N6O3/c1-28-12-10-17(11-13-28)33-18-8-9-19(21(14-18)32-3)26-23-25-15-20-22(27-23)30(24(31)29(20)2)16-6-4-5-7-16/h8-9,14-17H,4-7,10-13H2,1-3H3,(H,25,26,27)" . "Cc1cc(ccc1Nc1nc(NC2CCCCC2)c2c(n1)nc[nH]2)N1CCOCC1" . "Cc1cc(ccc1Nc1nc(NC2CCCCC2)c2c(n1)nc[nH]2)N1CCOCC1" . "OVJBNYKNHXJGSA-UHFFFAOYSA-N" . "InChI=1S/C22H29N7O/c1-15-13-17(29-9-11-30-12-10-29)7-8-18(15)26-22-27-20-19(23-14-24-20)21(28-22)25-16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3,(H3,23,24,25,26,27,28)" . "CN1CCN(CC1)c1ncc(c(c1)C(=O)Nc1ccc2c(c1)c1c(CC2)c(nn1c1ccc(cc1)F)C(=O)N)Cl" . "CN1CCN(CC1)c1ncc(c(c1)C(=O)Nc1ccc2c(c1)c1c(CC2)c(nn1c1ccc(cc1)F)C(=O)N)Cl" . "ZLEZHGHFWIHCGU-UHFFFAOYSA-N" . "InChI=1S/C29H27ClFN7O2/c1-36-10-12-37(13-11-36)25-15-23(24(30)16-33-25)29(40)34-19-6-2-17-3-9-21-26(28(32)39)35-38(27(21)22(17)14-19)20-7-4-18(31)5-8-20/h2,4-8,14-16H,3,9-13H2,1H3,(H2,32,39)(H,34,40)" . "O=C(Nc1ncc(s1)CCNc1ncnc2c1scc2)Nc1cccc(c1)Cl" . "O=C(Nc1ncc(s1)CCNc1ncnc2c1scc2)Nc1cccc(c1)Cl" . "FAYAUAZLLLJJGH-UHFFFAOYSA-N" . "InChI=1S/C18H15ClN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26)" . "COc1cc(ccc1Nc1ncc2c(n1)n(C)c1ccccc1c(=O)n2C)C(=O)N1CCC(CC1)N1CCN(CC1)C" . "COc1cc(ccc1Nc1ncc2c(n1)n(C)c1ccccc1c(=O)n2C)C(=O)N1CCC(CC1)N1CCN(CC1)C" . "IWMCPJZTADUIFX-UHFFFAOYSA-N" . "InChI=1S/C31H38N8O3/c1-35-15-17-38(18-16-35)22-11-13-39(14-12-22)29(40)21-9-10-24(27(19-21)42-4)33-31-32-20-26-28(34-31)36(2)25-8-6-5-7-23(25)30(41)37(26)3/h5-10,19-20,22H,11-18H2,1-4H3,(H,32,33,34)" . "OCC1OC2(OCc3c2cc(cc3)Cc2ccc(cc2)CC)C(C(C1O)O)O" . "OC[C@H]1O[C@]2(OCc3c2cc(cc3)Cc2ccc(cc2)CC)[C@@H]([C@H]([C@@H]1O)O)O" . "VWVKUNOPTJGDOB-BDHVOXNPSA-N" . "InChI=1S/C22H26O6/c1-2-13-3-5-14(6-4-13)9-15-7-8-16-12-27-22(17(16)10-15)21(26)20(25)19(24)18(11-23)28-22/h3-8,10,18-21,23-26H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22+/m1/s1" . "OCC1OC(c2ccc(c(c2)Cc2cc3c(s2)cccc3)F)C(C(C1O)O)O" . "OC[C@H]1O[C@@H](c2ccc(c(c2)Cc2cc3c(s2)cccc3)F)[C@@H]([C@H]([C@@H]1O)O)O" . "AHFWIQIYAXSLBA-RQXATKFSSA-N" . "InChI=1S/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16-,18-,19+,20-,21+/m1/s1" . "N#CC(n1nc(c(c1)Nc1ncc(c(n1)NC)C(F)(F)F)C)(C)C" . "N#CC(n1nc(c(c1)Nc1ncc(c(n1)NC)C(F)(F)F)C)(C)C" . "ZPPUMAMZIMPJGP-UHFFFAOYSA-N" . "InChI=1S/C14H16F3N7/c1-8-10(6-24(23-8)13(2,3)7-18)21-12-20-5-9(14(15,16)17)11(19-4)22-12/h5-6H,1-4H3,(H2,19,20,21,22)" . "CN(CC=CC(=O)N(C1CC2C(CC1F)N=C(c1n2cnc1)Nc1ccccc1C)C)C" . "CN(C/C=C/C(=O)N(C1CC2C(CC1F)N=C(c1n2cnc1)Nc1ccccc1C)C)C" . "KJDBCEWMSRFWQY-JXMROGBWSA-N" . "InChI=1S/C24H31FN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,14-15,17,19-21H,11-13H2,1-4H3,(H,27,28)/b10-7+" . "CC1COCCN1c1cc(nc(n1)c1ccnc2c1cc[nH]2)C1(CC1)S(=O)(=N)C" . "C[C@@H]1COCCN1c1cc(nc(n1)c1ccnc2c1cc[nH]2)C1(CC1)[S@@](=O)(=N)C" . "OHUHVTCQTUDPIJ-JYCIKRDWSA-N" . "InChI=1S/C20H24N6O2S/c1-13-12-28-10-9-26(13)17-11-16(20(5-6-20)29(2,21)27)24-19(25-17)15-4-8-23-18-14(15)3-7-22-18/h3-4,7-8,11,13,21H,5-6,9-10,12H2,1-2H3,(H,22,23)/t13-,29-/m1/s1" . "O=NC1=c2ccc(=c3nc([nH]c3=c3cc[nH]cc3)c3ccc(cc3)OCCN(C)C)cc2CC1" . "O=NC1=c2cc/c(=c/3/nc([nH]c3=c3cc[nH]cc3)c3ccc(cc3)OCCN(C)C)/cc2CC1" . "DPCXEUSDRQOOGZ-YYADALCUSA-N" . "InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,28H,6,10,15-16H2,1-2H3,(H,29,30)/b26-21+" . "NC1COCCC1Nc1ncc(c(n1)Nc1ccc(cc1)C)C(=O)N" . "N[C@@H]1COCC[C@@H]1Nc1ncc(c(n1)Nc1ccc(cc1)C)C(=O)N" . "KBPYMFSSFLOJPH-KGLIPLIRSA-N" . "InChI=1S/C17H22N6O2/c1-10-2-4-11(5-3-10)21-16-12(15(19)24)8-20-17(23-16)22-14-6-7-25-9-13(14)18/h2-5,8,13-14H,6-7,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m1/s1" . "CN1CCN(CC1)c1cccc(c1)Nc1nn2c(n1)c(ccc2)c1ccc(cc1)S(=O)(=O)C" . "CN1CCN(CC1)c1cccc(c1)Nc1nn2c(n1)c(ccc2)c1ccc(cc1)S(=O)(=O)C" . "RFZKSQIFOZZIAQ-UHFFFAOYSA-N" . "InChI=1S/C24H26N6O2S/c1-28-13-15-29(16-14-28)20-6-3-5-19(17-20)25-24-26-23-22(7-4-12-30(23)27-24)18-8-10-21(11-9-18)33(2,31)32/h3-12,17H,13-16H2,1-2H3,(H,25,27)" . "Clc1cccc(c1)C(CNC1=CC=NC(=O)C1=c1[nH]c2c([nH]1)cc(cc2C)N1CCOCC1)O" . "Clc1cccc(c1)C(CNC1=CC=NC(=O)C1=c1[nH]c2c([nH]1)cc(cc2C)N1CCOCC1)O" . "UGQMURPIMYALPH-UHFFFAOYSA-N" . "InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,28-30,32H,7-10,14H2,1H3" . "CC(NCCCn1c(Sc2cc(Cl)cc(c2)Cl)nc2c1ncnc2N)C" . "CC(NCCCn1c(Sc2cc(Cl)cc(c2)Cl)nc2c1ncnc2N)C" . "JYSLFQTWNRYWJT-UHFFFAOYSA-N" . "InChI=1S/C17H20Cl2N6S/c1-10(2)21-4-3-5-25-16-14(15(20)22-9-23-16)24-17(25)26-13-7-11(18)6-12(19)8-13/h6-10,21H,3-5H2,1-2H3,(H2,20,22,23)" . "O=C(c1sccc1NCc1ccnc2c1cccc2)Nc1ccc(cc1)OC(F)(F)F" . "O=C(c1sccc1NCc1ccnc2c1cccc2)Nc1ccc(cc1)OC(F)(F)F" . "FGTCROZDHDSNIO-UHFFFAOYSA-N" . "InChI=1S/C22H16F3N3O2S/c23-22(24,25)30-16-7-5-15(6-8-16)28-21(29)20-19(10-12-31-20)27-13-14-9-11-26-18-4-2-1-3-17(14)18/h1-12,27H,13H2,(H,28,29)" . "CNC(=O)c1ccccc1Nc1nc(ncc1Cl)Nc1ccc(cc1OC)N1CCOCC1" . "CNC(=O)c1ccccc1Nc1nc(ncc1Cl)Nc1ccc(cc1OC)N1CCOCC1" . "UYJNQQDJUOUFQJ-UHFFFAOYSA-N" . "InChI=1S/C23H25ClN6O3/c1-25-22(31)16-5-3-4-6-18(16)27-21-17(24)14-26-23(29-21)28-19-8-7-15(13-20(19)32-2)30-9-11-33-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,31)(H2,26,27,28,29)" . "O=C1Nc2c(C1)cc(cc2)Nc1ncc(c(n1)NCc1cccnc1N(S(=O)(=O)C)C)C(F)(F)F" . "O=C1Nc2c(C1)cc(cc2)Nc1ncc(c(n1)NCc1cccnc1N(S(=O)(=O)C)C)C(F)(F)F" . "MZDKLVOWGIOKTN-UHFFFAOYSA-N" . "InChI=1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30)" . "CN(Cc1cccc(c1)NC(=C1C(=O)Nc2c1ccc(c2)C(=O)N(C)C)c1ccccc1)C" . "CN(Cc1cccc(c1)N/C(=C/1/C(=O)Nc2c1ccc(c2)C(=O)N(C)C)/c1ccccc1)C" . "HOMJAAIVTDVQJA-IZHYLOQSSA-N" . "InChI=1S/C27H28N4O2/c1-30(2)17-18-9-8-12-21(15-18)28-25(19-10-6-5-7-11-19)24-22-14-13-20(27(33)31(3)4)16-23(22)29-26(24)32/h5-16,28H,17H2,1-4H3,(H,29,32)/b25-24-" . "Nc1ncc(c(n1)CC1CC1)c1ccnc(n1)Nc1ccncc1" . "Nc1ncc(c(n1)CC1CC1)c1ccnc(n1)Nc1ccncc1" . "XXSDLQLNIVFIJI-UHFFFAOYSA-N" . "InChI=1S/C17H17N7/c18-16-21-10-13(15(23-16)9-11-1-2-11)14-5-8-20-17(24-14)22-12-3-6-19-7-4-12/h3-8,10-11H,1-2,9H2,(H2,18,21,23)(H,19,20,22,24)" . "Clc1nccc(c1)Nc1nccc(n1)c1cnc(nc1CC1CC1)NCC(O)(C)C" . "Clc1nccc(c1)Nc1nccc(n1)c1cnc(nc1CC1CC1)NCC(O)(C)C" . "AWNXKZVIZARMME-UHFFFAOYSA-N" . "InChI=1S/C21H24ClN7O/c1-21(2,30)12-26-19-25-11-15(17(29-19)9-13-3-4-13)16-6-8-24-20(28-16)27-14-5-7-23-18(22)10-14/h5-8,10-11,13,30H,3-4,9,12H2,1-2H3,(H,25,26,29)(H,23,24,27,28)" . "Fc1cc(cc(c1)c1ccnc(n1)Nc1ccc(cc1)n1cnc(n1)N1CCOCC1)N1CCOCC1" . "Fc1cc(cc(c1)c1ccnc(n1)Nc1ccc(cc1)n1cnc(n1)N1CCOCC1)N1CCOCC1" . "AHMHIFXJPSHHPH-UHFFFAOYSA-N" . "InChI=1S/C26H27FN8O2/c27-20-15-19(16-23(17-20)33-7-11-36-12-8-33)24-5-6-28-25(31-24)30-21-1-3-22(4-2-21)35-18-29-26(32-35)34-9-13-37-14-10-34/h1-6,15-18H,7-14H2,(H,28,30,31)" . "Nc1ncnc2c1ncn2Cc1nc2cccc(c2c(=O)n1c1ccccc1C)C" . "Nc1ncnc2c1ncn2Cc1nc2cccc(c2c(=O)n1c1ccccc1C)C" . "GNWHRHGTIBRNSM-UHFFFAOYSA-N" . "InChI=1S/C22H19N7O/c1-13-6-3-4-9-16(13)29-17(27-15-8-5-7-14(2)18(15)22(29)30)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25)" . "OC(=O)C(Cc1cc(Cl)c(c(c1)Cl)OCc1cc(N)cc2c1oc(n2)c1ccccc1)N" . "OC(=O)[C@H](Cc1cc(Cl)c(c(c1)Cl)OCc1cc(N)cc2c1oc(n2)c1ccccc1)N" . "XNRZJPQTMQZBCE-SFHVURJKSA-N" . "InChI=1S/C23H19Cl2N3O4/c24-16-6-12(8-18(27)23(29)30)7-17(25)21(16)31-11-14-9-15(26)10-19-20(14)32-22(28-19)13-4-2-1-3-5-13/h1-7,9-10,18H,8,11,26-27H2,(H,29,30)/t18-/m0/s1" . "OCC(c1cccc(c1)Cl)NC(=O)c1[nH]cc(c1)c1nc(ncc1C)Nc1ccc(cc1Cl)F" . "OC[C@H](c1cccc(c1)Cl)NC(=O)c1[nH]cc(c1)c1nc(ncc1C)Nc1ccc(cc1Cl)F" . "WUTVMXLIGHTZJC-OAQYLSRUSA-N" . "InChI=1S/C24H20Cl2FN5O2/c1-13-10-29-24(31-19-6-5-17(27)9-18(19)26)32-22(13)15-8-20(28-11-15)23(34)30-21(12-33)14-3-2-4-16(25)7-14/h2-11,21,28,33H,12H2,1H3,(H,30,34)(H,29,31,32)/t21-/m1/s1" . "[O-]C(=O)c1ccc2c(c1)nc(c1c2cnc(n1)NC1CC1)Nc1cccc(c1)C(F)(F)F" . "[O-]C(=O)c1ccc2c(c1)nc(c1c2cnc(n1)NC1CC1)Nc1cccc(c1)C(F)(F)F" . "UXZATHOFDZQOMY-UHFFFAOYSA-M" . "InChI=1S/C22H16F3N5O2/c23-22(24,25)12-2-1-3-14(9-12)27-19-18-16(10-26-21(30-18)28-13-5-6-13)15-7-4-11(20(31)32)8-17(15)29-19/h1-4,7-10,13H,5-6H2,(H,27,29)(H,31,32)(H,26,28,30)/p-1" . "C#Cc1cccc(c1)Nc1nc2cc(ccc2c2c1ncnc2)C(=O)[O-]" . "C#Cc1cccc(c1)Nc1nc2cc(ccc2c2c1ncnc2)C(=O)[O-]" . "HJGFPNFAFSFDNN-UHFFFAOYSA-M" . "InChI=1S/C20H12N4O2/c1-2-12-4-3-5-14(8-12)23-19-18-16(10-21-11-22-18)15-7-6-13(20(25)26)9-17(15)24-19/h1,3-11H,(H,23,24)(H,25,26)/p-1" . "Brc1c(Br)c(Br)c2c(c1Br)n[nH]n2" . "Brc1c(Br)c(Br)c2c(c1Br)n[nH]n2" . "OMZYUVOATZSGJY-UHFFFAOYSA-N" . "InChI=1S/C6HBr4N3/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6/h(H,11,12,13)" . "Nc1nccc(n1)c1n(cnc1c1ccc(cc1)F)C1CCCCC1" . "Nc1nccc(n1)c1n(cnc1c1ccc(cc1)F)C1CCCCC1" . "WUDBUIUHVNECTM-UHFFFAOYSA-N" . "InChI=1S/C19H20FN5/c20-14-8-6-13(7-9-14)17-18(16-10-11-22-19(21)24-16)25(12-23-17)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H2,21,22,24)" . "NC(=O)c1cc(nc(c1)c1ccnc(c1)NC1CCCCC1)N1CCNCC1" . "NC(=O)c1cc(nc(c1)c1ccnc(c1)NC1CCCCC1)N1CCNCC1" . "XNWDRALEEPGBHB-UHFFFAOYSA-N" . "InChI=1S/C21H28N6O/c22-21(28)16-12-18(26-20(14-16)27-10-8-23-9-11-27)15-6-7-24-19(13-15)25-17-4-2-1-3-5-17/h6-7,12-14,17,23H,1-5,8-11H2,(H2,22,28)(H,24,25)" . "Oc1cc2c3SCCNC(=O)c3sc2cc1" . "Oc1cc2c3SCCNC(=O)c3sc2cc1" . "DHUAGGSHTKPOHU-UHFFFAOYSA-N" . "InChI=1S/C11H9NO2S2/c13-6-1-2-8-7(5-6)9-10(16-8)11(14)12-3-4-15-9/h1-2,5,13H,3-4H2,(H,12,14)" . "CN1CCCN(CC1)C(=O)c1cccc(c1)c1ccc(o1)C=C1C(=O)Nc2c1cc(Cl)cc2" . "CN1CCCN(CC1)C(=O)c1cccc(c1)c1ccc(o1)/C=C/1/C(=O)Nc2c1cc(Cl)cc2" . "KGBPLKOPSFDBOX-CJLVFECKSA-N" . "InChI=1S/C26H24ClN3O3/c1-29-10-3-11-30(13-12-29)26(32)18-5-2-4-17(14-18)24-9-7-20(33-24)16-22-21-15-19(27)6-8-23(21)28-25(22)31/h2,4-9,14-16H,3,10-13H2,1H3,(H,28,31)/b22-16+" . "CC1CN(CC(C1O)N)c1ccncc1NC(=O)c1ccc(c(n1)c1c(F)cccc1F)F" . "C[C@H]1CN(C[C@H]([C@@H]1O)N)c1ccncc1NC(=O)c1ccc(c(n1)c1c(F)cccc1F)F" . "ODZZYKUYGVLOTQ-ONJZCGHCSA-N" . "InChI=1S/C23H22F3N5O2/c1-12-10-31(11-16(27)22(12)32)19-7-8-28-9-18(19)30-23(33)17-6-5-15(26)21(29-17)20-13(24)3-2-4-14(20)25/h2-9,12,16,22,32H,10-11,27H2,1H3,(H,30,33)/t12-,16+,22+/m0/s1" . "COc1cc(ccc1C(=O)Nc1ccc2c(c1)CCNCC2)c1cn[nH]c1" . "COc1cc(ccc1C(=O)Nc1ccc2c(c1)CCNCC2)c1cn[nH]c1" . "GMZCYCKIXQZORP-UHFFFAOYSA-N" . "InChI=1S/C21H22N4O2/c1-27-20-11-15(17-12-23-24-13-17)3-5-19(20)21(26)25-18-4-2-14-6-8-22-9-7-16(14)10-18/h2-5,10-13,22H,6-9H2,1H3,(H,23,24)(H,25,26)" . "Clc1ccc2=NC(=O)C(=c3[nH]c4c([nH]3)cccc4)C(=c2c1)NC1CN2CCC1CC2" . "Clc1ccc2=NC(=O)C(=c3[nH]c4c([nH]3)cccc4)C(=c2c1)N[C@@H]1CN2CCC1CC2" . "VBIIUHUSFOLTIU-LJQANCHMSA-N" . "InChI=1S/C23H22ClN5O/c24-14-5-6-16-15(11-14)21(25-19-12-29-9-7-13(19)8-10-29)20(23(30)28-16)22-26-17-3-1-2-4-18(17)27-22/h1-6,11,13,19,25-27H,7-10,12H2/t19-/m1/s1" . "NC(=Nc1onc(c1)C(c1ccc(c(c1)F)c1ccccc1)C)N1CCOCC1" . "N/C(=N/c1onc(c1)[C@H](c1ccc(c(c1)F)c1ccccc1)C)/N1CCOCC1" . "MYTIJGWONQOOLC-HNNXBMFYSA-N" . "InChI=1S/C22H23FN4O2/c1-15(17-7-8-18(19(23)13-17)16-5-3-2-4-6-16)20-14-21(29-26-20)25-22(24)27-9-11-28-12-10-27/h2-8,13-15H,9-12H2,1H3,(H2,24,25)/t15-/m0/s1" . "CO[C@@]12C=C[C@@]34[C@@]5([C@@H]1N[C@@H]([C@]2(C)C3)c1ccccc1)CCN([C@@H]4Cc1c5cc(O)cc1)C" . "CO[C@@]12C=C[C@@]34[C@@]5([C@@H]1N[C@@H]([C@]2(C)C3)c1ccccc1)CCN([C@@H]4Cc1c5cc(O)cc1)C" . "RGJHUVJQGAAZLK-GKTFKBBASA-N" . "InChI=1S/C28H32N2O2/c1-25-17-26-11-12-28(25,32-3)24(29-23(25)18-7-5-4-6-8-18)27(26)13-14-30(2)22(26)15-19-9-10-20(31)16-21(19)27/h4-12,16,22-24,29,31H,13-15,17H2,1-3H3/t22-,23-,24+,25+,26-,27+,28+/m1/s1" . "CN(C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(c(c1)Cl)NC(=O)C(C(F)(F)F)(O)C)C" . "CN(C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(c(c1)Cl)NC(=O)[C@](C(F)(F)F)(O)C)C" . "DTDZLJHKVNTQGZ-GOSISDBHSA-N" . "InChI=1S/C19H18ClF3N2O5S/c1-18(28,19(21,22)23)17(27)24-15-9-8-13(10-14(15)20)31(29,30)12-6-4-11(5-7-12)16(26)25(2)3/h4-10,28H,1-3H3,(H,24,27)/t18-/m1/s1" . "COC(=O)Nc1ccc(cc1)c1nc(N2CCOCC2)c2c(n1)n(nc2)C1CCN(CC1)C(=O)OC" . "COC(=O)Nc1ccc(cc1)c1nc(N2CCOCC2)c2c(n1)n(nc2)C1CCN(CC1)C(=O)OC" . "IMXHGCRIEAKIBU-UHFFFAOYSA-N" . "InChI=1S/C24H29N7O5/c1-34-23(32)26-17-5-3-16(4-6-17)20-27-21(29-11-13-36-14-12-29)19-15-25-31(22(19)28-20)18-7-9-30(10-8-18)24(33)35-2/h3-6,15,18H,7-14H2,1-2H3,(H,26,32)" . "NCC(=CF)COc1ccc(cc1)C(=O)NC(C)(C)C" . "NC/C(=C/F)/COc1ccc(cc1)C(=O)NC(C)(C)C" . "OWNSXNXYELKDSO-DHZHZOJOSA-N" . "InChI=1S/C15H21FN2O2/c1-15(2,3)18-14(19)12-4-6-13(7-5-12)20-10-11(8-16)9-17/h4-8H,9-10,17H2,1-3H3,(H,18,19)/b11-8+" . "COc1ccc(cc1CO)c1ccc2c(n1)nc(nc2N1CCOCC1)N1CC(C)OC(C1)C" . "COc1ccc(cc1CO)c1ccc2c(n1)nc(nc2N1CCOCC1)N1C[C@H](C)O[C@@H](C1)C" . "RFSMUFRPPYDYRD-CALCHBBNSA-N" . "InChI=1S/C25H31N5O4/c1-16-13-30(14-17(2)34-16)25-27-23-20(24(28-25)29-8-10-33-11-9-29)5-6-21(26-23)18-4-7-22(32-3)19(12-18)15-31/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17+" . "COc1cc2c(cc1OC)ncnc2n1nc(nc1N)c1ccccn1" . "COc1cc2c(cc1OC)ncnc2n1nc(nc1N)c1ccccn1" . "ILBRKJBKDGCSCB-UHFFFAOYSA-N" . "InChI=1S/C17H15N7O2/c1-25-13-7-10-12(8-14(13)26-2)20-9-21-16(10)24-17(18)22-15(23-24)11-5-3-4-6-19-11/h3-9H,1-2H3,(H2,18,22,23)" . "OCCCn1c(C(=O)CF)c(c2c1ncnc2N)c1ccc(cc1)C" . "OCCCn1c(C(=O)CF)c(c2c1ncnc2N)c1ccc(cc1)C" . "IKLGYJACVCXYIL-UHFFFAOYSA-N" . "InChI=1S/C18H19FN4O2/c1-11-3-5-12(6-4-11)14-15-17(20)21-10-22-18(15)23(7-2-8-24)16(14)13(25)9-19/h3-6,10,24H,2,7-9H2,1H3,(H2,20,21,22)" . "CCC(c1cc(nc2c1c(N)c(s2)C(=O)N)N1CCC(CC1)S(=O)(=O)C)(F)F" . "CCC(c1cc(nc2c1c(N)c(s2)C(=O)N)N1CCC(CC1)S(=O)(=O)C)(F)F" . "IYHHRZBKXXKDDY-UHFFFAOYSA-N" . "InChI=1S/C17H22F2N4O3S2/c1-3-17(18,19)10-8-11(23-6-4-9(5-7-23)28(2,25)26)22-16-12(10)13(20)14(27-16)15(21)24/h8-9H,3-7,20H2,1-2H3,(H2,21,24)" . "O=C1NC(=C(C(C1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc2cn[nH]c2cc1F)C" . "O=C1NC(=C(C(C1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc2cn[nH]c2cc1F)C" . "OLIIUAHHAZEXEX-UHFFFAOYSA-N" . "InChI=1S/C21H16F4N4O2/c1-10-19(20(31)28-17-6-12-9-26-29-16(12)8-15(17)22)14(7-18(30)27-10)11-2-4-13(5-3-11)21(23,24)25/h2-6,8-9,14H,7H2,1H3,(H,26,29)(H,27,30)(H,28,31)" . "N#Cc1ccnc(c1)Nc1cc(cc(n1)N1CCC(C1)(F)F)C1CCN(CC1)C1COC1" . "N#Cc1ccnc(c1)Nc1cc(cc(n1)N1CCC(C1)(F)F)C1CCN(CC1)C1COC1" . "RHFIAUKMKYHHFA-UHFFFAOYSA-N" . "InChI=1S/C23H26F2N6O/c24-23(25)4-8-31(15-23)22-11-18(17-2-6-30(7-3-17)19-13-32-14-19)10-21(29-22)28-20-9-16(12-26)1-5-27-20/h1,5,9-11,17,19H,2-4,6-8,13-15H2,(H,27,28,29)" . "NC(C(=O)O)CS" . "N[C@@H](C(=O)O)CS" . "XUJNEKJLAYXESH-UWTATZPHSA-N" . "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1" . "CCN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(c(c1)Oc1ccc2c(c1)CC(=O)N2)C" . "CCN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(c(c1)Oc1ccc2c(c1)CC(=O)N2)C" . "AOZPVMOOEJAZGK-UHFFFAOYSA-N" . "InChI=1S/C30H31F3N4O3/c1-3-36-10-12-37(13-11-36)18-21-6-5-20(15-25(21)30(31,32)33)29(39)34-23-7-4-19(2)27(17-23)40-24-8-9-26-22(14-24)16-28(38)35-26/h4-9,14-15,17H,3,10-13,16,18H2,1-2H3,(H,34,39)(H,35,38)" . "Clc1cncc(c1)CN1c2nc(cc(=O)n2CCC1C(F)(F)F)N1CCOCC1C" . "Clc1cncc(c1)CN1c2nc(cc(=O)n2CC[C@H]1C(F)(F)F)N1CCOC[C@H]1C" . "SPDQRCUBFSRAFI-DOMZBBRYSA-N" . "InChI=1S/C19H21ClF3N5O2/c1-12-11-30-5-4-26(12)16-7-17(29)27-3-2-15(19(21,22)23)28(18(27)25-16)10-13-6-14(20)9-24-8-13/h6-9,12,15H,2-5,10-11H2,1H3/t12-,15+/m1/s1" . "COc1ccc2c(c1)[nH]c1c2ccnc1C" . "COc1ccc2c(c1)[nH]c1c2ccnc1C" . "BXNJHAXVSOCGBA-UHFFFAOYSA-N" . "InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CCCCN)CCCN=C(N)N)CCCN=C(N)N)Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CCCN=C(N)N)N)CCCCN)CCCCN)Cc1ccc(cc1)O" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCCN)CCCN=C(N)N)CCCN=C(N)N)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)N)CCCCN)CCCCN)Cc1ccc(cc1)O" . "JPOKAKNGULMYHZ-UILVTTEASA-N" . "InChI=1S/C60H105N23O11/c61-27-5-1-13-41(49(66)86)76-51(88)45(17-10-32-74-59(69)70)79-53(90)46(18-11-33-75-60(71)72)81-57(94)48(35-37-21-25-39(85)26-22-37)83-55(92)44(16-4-8-30-64)80-56(93)47(34-36-19-23-38(84)24-20-36)82-54(91)43(15-3-7-29-63)78-52(89)42(14-2-6-28-62)77-50(87)40(65)12-9-31-73-58(67)68/h19-26,40-48,84-85H,1-18,27-35,61-65H2,(H2,66,86)(H,76,88)(H,77,87)(H,78,89)(H,79,90)(H,80,93)(H,81,94)(H,82,91)(H,83,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1" . "Oc1cc(ccc1Cl)c1nc([nH]c1c1ccncc1)c1ccccc1" . "Oc1cc(ccc1Cl)c1nc([nH]c1c1ccncc1)c1ccccc1" . "WXJLXRNWMLWVFB-UHFFFAOYSA-N" . "InChI=1S/C20H14ClN3O/c21-16-7-6-15(12-17(16)25)19-18(13-8-10-22-11-9-13)23-20(24-19)14-4-2-1-3-5-14/h1-12,25H,(H,23,24)" . "O=C(C(F)F)NCc1ccc(cc1)CN(C(=O)c1ccc(cc1O)O)c1ccc(cc1)c1nc(Cl)ncc1C" . "O=C(C(F)F)NCc1ccc(cc1)CN(C(=O)c1ccc(cc1O)O)c1ccc(cc1)c1nc(Cl)ncc1C" . "LCGNLQSOSJFLKR-UHFFFAOYSA-N" . "InChI=1S/C28H23ClF2N4O4/c1-16-13-33-28(29)34-24(16)19-6-8-20(9-7-19)35(27(39)22-11-10-21(36)12-23(22)37)15-18-4-2-17(3-5-18)14-32-26(38)25(30)31/h2-13,25,36-37H,14-15H2,1H3,(H,32,38)" . "O=C1NN=C2N(C1C)c1cc(NC3(C)CNC3)c(cc1OC2)C(F)(F)F" . "O=C1NN=C2N([C@@H]1C)c1cc(NC3(C)CNC3)c(cc1OC2)C(F)(F)F" . "OUZPGLCFBNPQPF-MRVPVSSYSA-N" . "InChI=1S/C16H18F3N5O2/c1-8-14(25)23-22-13-5-26-12-3-9(16(17,18)19)10(4-11(12)24(8)13)21-15(2)6-20-7-15/h3-4,8,20-21H,5-7H2,1-2H3,(H,23,25)/t8-/m1/s1" . "COc1ccc2c(c1)ccc(c2)c1nc([nH]c1c1ccncc1)c1ccc(cc1)S(=O)C" . "COc1ccc2c(c1)ccc(c2)c1nc([nH]c1c1ccncc1)c1ccc(cc1)S(=O)C" . "SINQIEAULQKUPD-UHFFFAOYSA-N" . "InChI=1S/C26H21N3O2S/c1-31-22-8-5-19-15-21(4-3-20(19)16-22)25-24(17-11-13-27-14-12-17)28-26(29-25)18-6-9-23(10-7-18)32(2)30/h3-16H,1-2H3,(H,28,29)" . "CCNC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1)CO)CC(C)C)CCCN=C(N)N" . "CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)CO)CC(C)C)CCCN=C(N)N" . "GJKXGJCSJWBJEZ-XRSSZCMZSA-N" . "InChI=1S/C64H83N17O12/c1-4-68-62(92)53-16-10-24-81(53)63(93)46(15-9-23-69-64(65)66)74-56(86)47(25-35(2)3)75-58(88)49(27-37-30-70-43-13-7-5-11-41(37)43)77-57(87)48(26-36-17-19-40(83)20-18-36)76-61(91)52(33-82)80-59(89)50(28-38-31-71-44-14-8-6-12-42(38)44)78-60(90)51(29-39-32-67-34-72-39)79-55(85)45-21-22-54(84)73-45/h5-8,11-14,17-20,30-32,34-35,45-53,70-71,82-83H,4,9-10,15-16,21-29,33H2,1-3H3,(H,67,72)(H,68,92)(H,73,84)(H,74,86)(H,75,88)(H,76,91)(H,77,87)(H,78,90)(H,79,85)(H,80,89)(H4,65,66,69)/t45-,46-,47-,48-,49+,50-,51-,52-,53-/m0/s1" . "CCNC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1)CO)C)CC(C)C)CCCN=C(N)N" . "CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)CO)C)CC(C)C)CCCN=C(N)N" . "QLGKMLRGKPKGKI-QWQCQAQZSA-N" . "InChI=1S/C56H78N16O12/c1-5-60-54(83)45-13-9-21-72(45)55(84)39(12-8-20-61-56(57)58)66-50(79)40(22-30(2)3)67-47(76)31(4)64-49(78)41(23-32-14-16-35(74)17-15-32)68-53(82)44(28-73)71-51(80)42(24-33-26-62-37-11-7-6-10-36(33)37)69-52(81)43(25-34-27-59-29-63-34)70-48(77)38-18-19-46(75)65-38/h6-7,10-11,14-17,26-27,29-31,38-45,62,73-74H,5,8-9,12-13,18-25,28H2,1-4H3,(H,59,63)(H,60,83)(H,64,78)(H,65,75)(H,66,79)(H,67,76)(H,68,82)(H,69,81)(H,70,77)(H,71,80)(H4,57,58,61)/t31-,38+,39+,40+,41+,42+,43+,44+,45+/m1/s1" . "N#CC(=Cc1ccccc1Cl)C#N" . "N#CC(=Cc1ccccc1Cl)C#N" . "JJNZXLAFIPKXIG-UHFFFAOYSA-N" . "InChI=1S/C10H5ClN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5H" . "CCNC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)CNC(=O)C(Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1)CO)CC(C)C)CCCN=C(N)N" . "CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)CO)CC(C)C)CCCN=C(N)N" . "DGCPIBPDYFLAAX-YTAGXALCSA-N" . "InChI=1S/C55H76N16O12/c1-4-59-53(82)44-12-8-20-71(44)54(83)38(11-7-19-60-55(56)57)66-49(78)39(21-30(2)3)65-46(75)27-62-47(76)40(22-31-13-15-34(73)16-14-31)67-52(81)43(28-72)70-50(79)41(23-32-25-61-36-10-6-5-9-35(32)36)68-51(80)42(24-33-26-58-29-63-33)69-48(77)37-17-18-45(74)64-37/h5-6,9-10,13-16,25-26,29-30,37-44,61,72-73H,4,7-8,11-12,17-24,27-28H2,1-3H3,(H,58,63)(H,59,82)(H,62,76)(H,64,74)(H,65,75)(H,66,78)(H,67,81)(H,68,80)(H,69,77)(H,70,79)(H4,56,57,60)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1" . "[O-][N+](=O)OCCC#Cc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1" . "[O-][N+](=O)OCCC#Cc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1" . "KXXKUWQMQUYUSE-UHFFFAOYSA-N" . "InChI=1S/C26H25Cl2N5O4/c1-18-24(26(34)30-31-14-4-2-5-15-31)29-32(23-13-12-21(27)17-22(23)28)25(18)20-10-8-19(9-11-20)7-3-6-16-37-33(35)36/h8-13,17H,2,4-6,14-16H2,1H3,(H,30,34)" . "O=C(C1CCCN1C(=O)CSc1nc2c(n1C)cccc2)Nc1ccccc1c1ccccc1" . "O=C([C@@H]1CCCN1C(=O)CSc1nc2c(n1C)cccc2)Nc1ccccc1c1ccccc1" . "YSBGRVXJEMSEQY-DEOSSOPVSA-N" . "InChI=1S/C27H26N4O2S/c1-30-23-15-8-7-14-22(23)29-27(30)34-18-25(32)31-17-9-16-24(31)26(33)28-21-13-6-5-12-20(21)19-10-3-2-4-11-19/h2-8,10-15,24H,9,16-18H2,1H3,(H,28,33)/t24-/m0/s1" . "CCCC(C(C(=O)NCC(C)C)NCC(C(NC(=O)c1cccc(c1)C(=O)N(C(c1ccccc1)C)C)Cc1ccccc1)O)O" . "CCC[C@@H]([C@@H](C(=O)NCC(C)C)NC[C@H]([C@@H](NC(=O)c1cccc(c1)C(=O)N([C@@H](c1ccccc1)C)C)Cc1ccccc1)O)O" . "PHXSVGGLTIKXSW-GUZVZUIYSA-N" . "InChI=1S/C37H50N4O5/c1-6-14-32(42)34(36(45)39-23-25(2)3)38-24-33(43)31(21-27-15-9-7-10-16-27)40-35(44)29-19-13-20-30(22-29)37(46)41(5)26(4)28-17-11-8-12-18-28/h7-13,15-20,22,25-26,31-34,38,42-43H,6,14,21,23-24H2,1-5H3,(H,39,45)(H,40,44)/t26-,31+,32+,33-,34+/m1/s1" . "CCC(=O)NC(C(C(C)C)O)C(=O)OC(C1NC(=O)C(C)N(C)C(=O)C(C)NC(=O)C(=C)N(C)C(=O)C(OC(=O)C(C(OC(=O)C(N(C1=O)C)C(OC)C)C(C)C)NC(=O)C)Cc1ccccc1)C(C)C" . "CCC(=O)N[C@@H]([C@@H](C(C)C)O)C(=O)O[C@@H]([C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)C(=C)N(C)C(=O)[C@H](OC(=O)[C@H]([C@H](OC(=O)[C@@H](N(C1=O)C)[C@H](OC)C)C(C)C)NC(=O)C)Cc1ccccc1)C(C)C" . "IMXKHFILKMPFGB-ZWYWTTNJSA-N" . "InChI=1S/C49H75N7O15/c1-17-34(58)52-35(39(59)24(2)3)47(65)70-40(25(4)5)36-46(64)56(15)38(30(11)68-16)49(67)71-41(26(6)7)37(51-31(12)57)48(66)69-33(23-32-21-19-18-20-22-32)45(63)55(14)28(9)42(60)50-27(8)44(62)54(13)29(10)43(61)53-36/h18-22,24-27,29-30,33,35-41,59H,9,17,23H2,1-8,10-16H3,(H,50,60)(H,51,57)(H,52,58)(H,53,61)/t27-,29-,30+,33+,35-,36-,37-,38-,39+,40+,41+/m0/s1" . "CCCN=C1SC(=Cc2ccc(c(c2)Cl)OCC(CO)O)C(=O)N1c1ccccc1C" . "CCCN=C1S/C(=C/c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C" . "LPAUOXUZGSBGDU-ULCCENQXSA-N" . "InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23?/t17-/m1/s1" . "COC(C1C(=O)OC(C)C(NC(=O)C)C(=O)OC(Cc2ccccc2)C(=O)N(C)C(=C)C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N1C)C(C(C)C)OC(=O)C(C(C(C)C)O)NC(=O)C)C)C)C)C" . "CO[C@@H]([C@H]1C(=O)O[C@H](C)[C@H](NC(=O)C)C(=O)O[C@H](Cc2ccccc2)C(=O)N(C)C(=C)C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N1C)[C@@H](C(C)C)OC(=O)[C@H]([C@@H](C(C)C)O)NC(=O)C)C)C)C)C" . "QVYLWCAYZGFGNF-WBWCVGBTSA-N" . "InChI=1S/C46H69N7O15/c1-22(2)37(56)34(49-30(11)55)45(63)68-38(23(3)4)35-43(61)53(14)36(28(9)65-15)46(64)66-27(8)33(48-29(10)54)44(62)67-32(21-31-19-17-16-18-20-31)42(60)52(13)25(6)39(57)47-24(5)41(59)51(12)26(7)40(58)50-35/h16-20,22-24,26-28,32-38,56H,6,21H2,1-5,7-15H3,(H,47,57)(H,48,54)(H,49,55)(H,50,58)/t24-,26-,27+,28+,32+,33-,34-,35-,36-,37+,38+/m0/s1" . "NC(=N)NCCCC(C(=O)c1nc2c(s1)cccc2)NC(=O)C1CC(CN1C(=O)C)O" . "NC(=N)NCCC[C@@H](C(=O)c1nc2c(s1)cccc2)NC(=O)[C@@H]1C[C@H](CN1C(=O)C)O" . "VXDAVYUFYPFGDX-SNPRPXQTSA-N" . "InChI=1S/C20H26N6O4S/c1-11(27)26-10-12(28)9-15(26)18(30)24-14(6-4-8-23-20(21)22)17(29)19-25-13-5-2-3-7-16(13)31-19/h2-3,5,7,12,14-15,28H,4,6,8-10H2,1H3,(H,24,30)(H4,21,22,23)/t12-,14+,15+/m1/s1" . "CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(nc2c1cnn2C(C)C)c1ccc(nc1)N1CCN(CC1)C" . "CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(nc2c1cnn2C(C)C)c1ccc(nc1)N1CCN(CC1)C" . "LQTWDAYNGMMHLV-UHFFFAOYSA-N" . "InChI=1S/C30H38N8O2/c1-6-7-21-14-20(4)34-30(40)24(21)17-32-29(39)23-15-26(35-28-25(23)18-33-38(28)19(2)3)22-8-9-27(31-16-22)37-12-10-36(5)11-13-37/h8-9,14-16,18-19H,6-7,10-13,17H2,1-5H3,(H,32,39)(H,34,40)" . "OC(=O)CC1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1" . "OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1" . "MVGWUTBTXDYMND-QGZVFWFLSA-N" . "InChI=1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1" . "COc1ccc(cc1OC1CCCC1)C(c1ccccc1)Cc1ccncc1" . "COc1ccc(cc1OC1CCCC1)[C@@H](c1ccccc1)Cc1ccncc1" . "UTUUPXBCDMQYRR-HSZRJFAPSA-N" . "InChI=1S/C25H27NO2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3/t23-/m1/s1" . "CC1CCn2c(C(=O)N(C1)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c(c1ccc(cc1)C)c1c(c2=O)nccc1" . "C[C@@H]1CCn2c(C(=O)N(C1)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c(c1ccc(cc1)C)c1c(c2=O)nccc1" . "LDXQLWNPGRANTO-GOSISDBHSA-N" . "InChI=1S/C30H25F6N3O2/c1-17-5-7-20(8-6-17)24-23-4-3-10-37-25(23)27(40)39-11-9-18(2)15-38(28(41)26(24)39)16-19-12-21(29(31,32)33)14-22(13-19)30(34,35)36/h3-8,10,12-14,18H,9,11,15-16H2,1-2H3/t18-/m1/s1" . "CCc1nc(c(s1)c1ccnc(c1)NC(=O)c1ccccc1)c1cccc(c1)C" . "CCc1nc(c(s1)c1ccnc(c1)NC(=O)c1ccccc1)c1cccc(c1)C" . "HEKAIDKUDLCBRU-UHFFFAOYSA-N" . "InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)" . "N#Cc1ccc(c2c1cccc2)c1cnccc1SC(C(=O)O)(C)C" . "N#Cc1ccc(c2c1cccc2)c1cnccc1SC(C(=O)O)(C)C" . "YYBOLPLTQDKXPM-UHFFFAOYSA-N" . "InChI=1S/C20H16N2O2S/c1-20(2,19(23)24)25-18-9-10-22-12-17(18)16-8-7-13(11-21)14-5-3-4-6-15(14)16/h3-10,12H,1-2H3,(H,23,24)" . "O=c1ccc2c([nH]1)c(O)ccc2C(CNCCCCCCOCC(c1ccccc1)(F)F)O" . "O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O" . "SFYAXIFVXBKRPK-QFIPXVFZSA-N" . "InChI=1S/C25H30F2N2O4/c26-25(27,18-8-4-3-5-9-18)17-33-15-7-2-1-6-14-28-16-22(31)19-10-12-21(30)24-20(19)11-13-23(32)29-24/h3-5,8-13,22,28,30-31H,1-2,6-7,14-17H2,(H,29,32)/t22-/m0/s1" . "COc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)Nc1cc(C)cc(c1)C" . "COc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(C)cc(c1)C" . "NHPQGZOBHSVTAQ-IBGZPJMESA-N" . "InChI=1S/C20H24N2O4S/c1-14-11-15(2)13-16(12-14)21-20(23)19-5-4-10-22(19)27(24,25)18-8-6-17(26-3)7-9-18/h6-9,11-13,19H,4-5,10H2,1-3H3,(H,21,23)/t19-/m0/s1" . "CC(C(c1ccc2c(c1)OCCO2)Oc1ccc2c(c1)cnn2c1cccc(c1)C(=O)NC1COCC1)NC(=O)C(F)(F)C" . "C[C@@H]([C@@H](c1ccc2c(c1)OCCO2)Oc1ccc2c(c1)cnn2c1cccc(c1)C(=O)N[C@H]1COCC1)NC(=O)C(F)(F)C" . "ZZWJKLGCDHYVMB-BWGXUDETSA-N" . "InChI=1S/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23+,29-/m0/s1" . "CN(c1[nH]c2c(n1)c(Br)c(c(c2Br)Br)Br)C" . "CN(c1[nH]c2c(n1)c(Br)c(c(c2Br)Br)Br)C" . "SLPJGDQJLTYWCI-UHFFFAOYSA-N" . "InChI=1S/C9H7Br4N3/c1-16(2)9-14-7-5(12)3(10)4(11)6(13)8(7)15-9/h1-2H3,(H,14,15)" . "NCC(C(=O)Nc1ccc2c(c1)ccnc2)c1ccc(cc1)COC(=O)c1ccc(cc1C)C" . "NC[C@@H](C(=O)Nc1ccc2c(c1)ccnc2)c1ccc(cc1)COC(=O)c1ccc(cc1C)C" . "OURRXQUGYQRVML-AREMUKBSSA-N" . "InChI=1S/C28H27N3O3/c1-18-3-10-25(19(2)13-18)28(33)34-17-20-4-6-21(7-5-20)26(15-29)27(32)31-24-9-8-23-16-30-12-11-22(23)14-24/h3-14,16,26H,15,17,29H2,1-2H3,(H,31,32)/t26-/m1/s1" . "CCCCCCCOc1ccc(cc1C(F)(F)F)CCC(CO)(CO)N" . "CCCCCCCOc1ccc(cc1C(F)(F)F)CCC(CO)(CO)N" . "JVCPIJKPAKAIIP-UHFFFAOYSA-N" . "InChI=1S/C19H30F3NO3/c1-2-3-4-5-6-11-26-17-8-7-15(12-16(17)19(20,21)22)9-10-18(23,13-24)14-25/h7-8,12,24-25H,2-6,9-11,13-14,23H2,1H3" . "O=C(c1ccc(c(c1)F)O)OCc1cccc(c1)COC(=O)c1ccc(c(c1)F)O" . "O=C(c1ccc(c(c1)F)O)OCc1cccc(c1)COC(=O)c1ccc(c(c1)F)O" . "XOZKRECPKXTNAK-UHFFFAOYSA-N" . "InChI=1S/C22H16F2O6/c23-17-9-15(4-6-19(17)25)21(27)29-11-13-2-1-3-14(8-13)12-30-22(28)16-5-7-20(26)18(24)10-16/h1-10,25-26H,11-12H2" . "Clc1ccc(cc1)Nc1nc(nc2c1ncn2C)n1nc(cc1C)C" . "Clc1ccc(cc1)Nc1nc(nc2c1ncn2C)n1nc(cc1C)C" . "DVQOPNIPUIOXHU-UHFFFAOYSA-N" . "InChI=1S/C17H16ClN7/c1-10-8-11(2)25(23-10)17-21-15(14-16(22-17)24(3)9-19-14)20-13-6-4-12(18)5-7-13/h4-9H,1-3H3,(H,20,21,22)" . "CON=CNc1nn2c(n1)nccc2C(Oc1ccc(cc1)C(C)(C)C)C" . "CON=CNc1nn2c(n1)nccc2C(Oc1ccc(cc1)C(C)(C)C)C" . "HJKSIPKXGWOSBM-UHFFFAOYSA-N" . "InChI=1S/C19H24N6O2/c1-13(27-15-8-6-14(7-9-15)19(2,3)4)16-10-11-20-18-23-17(24-25(16)18)21-12-22-26-5/h6-13H,1-5H3,(H,21,22,24)" . "CON=CNc1nn2c(n1)nccc2C(Oc1ccc(cc1C)Cl)C" . "CON=CNc1nn2c(n1)nccc2C(Oc1ccc(cc1C)Cl)C" . "OZWWQEQUDKBSCF-UHFFFAOYSA-N" . "InChI=1S/C16H17ClN6O2/c1-10-8-12(17)4-5-14(10)25-11(2)13-6-7-18-16-21-15(22-23(13)16)19-9-20-24-3/h4-9,11H,1-3H3,(H,19,20,22)" . "COc1ccccc1NC(=O)OCC1CCN(CC1)C(=O)OC(C)(C)C" . "COc1ccccc1NC(=O)OCC1CCN(CC1)C(=O)OC(C)(C)C" . "SAXGSDIZIYFNKD-UHFFFAOYSA-N" . "InChI=1S/C19H28N2O5/c1-19(2,3)26-18(23)21-11-9-14(10-12-21)13-25-17(22)20-15-7-5-6-8-16(15)24-4/h5-8,14H,9-13H2,1-4H3,(H,20,22)" . "Nc1nc2c(s1)c1cc3ccccc3cc1cc2" . "Nc1nc2c(s1)c1cc3ccccc3cc1cc2" . "YKXKYTRQOWDNGL-UHFFFAOYSA-N" . "InChI=1S/C15H10N2S/c16-15-17-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)14(13)18-15/h1-8H,(H2,16,17)" . "Fc1ccc(cc1)n1c(C)nc(c1C)C#Cc1ccnc(c1)Cl" . "Fc1ccc(cc1)n1c(C)nc(c1C)C#Cc1ccnc(c1)Cl" . "UPZWINBEAHDTLA-UHFFFAOYSA-N" . "InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3" . "Cc1cc(C)nc(n1)N1CC2C(C1)CN(C2)C(=O)c1c(F)cccc1n1nccn1" . "Cc1cc(C)nc(n1)N1CC2C(C1)CN(C2)C(=O)c1c(F)cccc1n1nccn1" . "SQOCEMCKYDVLMM-UHFFFAOYSA-N" . "InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3" . "COc1nc(CNC(=O)c2cc(ncc2c2nccs2)c2cncc(c2)C)ccc1OC" . "COc1nc(CNC(=O)c2cc(ncc2c2nccs2)c2cncc(c2)C)ccc1OC" . "VSOUDUXMPUHJEU-UHFFFAOYSA-N" . "InChI=1S/C23H21N5O3S/c1-14-8-15(11-24-10-14)19-9-17(18(13-26-19)23-25-6-7-32-23)21(29)27-12-16-4-5-20(30-2)22(28-16)31-3/h4-11,13H,12H2,1-3H3,(H,27,29)" . "COc1nc(CNC(=O)c2cc(cnc2c2ccccn2)c2cncc(c2)Cl)ccc1OC" . "COc1nc(CNC(=O)c2cc(cnc2c2ccccn2)c2cncc(c2)Cl)ccc1OC" . "CKTWQGHVNRYNCM-UHFFFAOYSA-N" . "InChI=1S/C24H20ClN5O3/c1-32-21-7-6-18(30-24(21)33-2)14-29-23(31)19-10-16(15-9-17(25)13-26-11-15)12-28-22(19)20-5-3-4-8-27-20/h3-13H,14H2,1-2H3,(H,29,31)" . "COc1ccc(cc1S(=O)(=O)Nc1cccc(c1)NCCNC(=O)c1cccc(c1)C)c1cccc(c1)C(=O)N(C)C" . "COc1ccc(cc1S(=O)(=O)Nc1cccc(c1)NCCNC(=O)c1cccc(c1)C)c1cccc(c1)C(=O)N(C)C" . "RHLMXWCISNJNDH-UHFFFAOYSA-N" . "InChI=1S/C32H34N4O5S/c1-22-8-5-10-25(18-22)31(37)34-17-16-33-27-12-7-13-28(21-27)35-42(39,40)30-20-24(14-15-29(30)41-4)23-9-6-11-26(19-23)32(38)36(2)3/h5-15,18-21,33,35H,16-17H2,1-4H3,(H,34,37)" . "O=C(C1CC1(COc1cnc(nc1C)C)c1cccc(c1)F)Nc1ccc(cn1)F" . "O=C([C@@H]1C[C@@]1(COc1cnc(nc1C)C)c1cccc(c1)F)Nc1ccc(cn1)F" . "MUGXRYIUWFITCP-PGRDOPGGSA-N" . "InChI=1S/C22H20F2N4O2/c1-13-19(11-25-14(2)27-13)30-12-22(15-4-3-5-16(23)8-15)9-18(22)21(29)28-20-7-6-17(24)10-26-20/h3-8,10-11,18H,9,12H2,1-2H3,(H,26,28,29)/t18-,22+/m0/s1" . "CCC(=O)NCC1CCN(CC1)c1ccc(cc1C(F)(F)F)NC(=O)Nc1cccc(c1)Oc1cnc2c(c1)cc(c(c2)OC)OC" . "CCC(=O)NCC1CCN(CC1)c1ccc(cc1C(F)(F)F)NC(=O)Nc1cccc(c1)Oc1cnc2c(c1)cc(c(c2)OC)OC" . "QNWLWBMZIXFBPZ-UHFFFAOYSA-N" . "InChI=1S/C34H36F3N5O5/c1-4-32(43)39-19-21-10-12-42(13-11-21)29-9-8-24(17-27(29)34(35,36)37)41-33(44)40-23-6-5-7-25(16-23)47-26-14-22-15-30(45-2)31(46-3)18-28(22)38-20-26/h5-9,14-18,20-21H,4,10-13,19H2,1-3H3,(H,39,43)(H2,40,41,44)" . "CCOc1ccc(cc1)c1nc(C(=O)N)c2c(n1)n(c(=O)[nH]2)c1ccccc1OC" . "CCOc1ccc(cc1)c1nc(C(=O)N)c2c(n1)n(c(=O)[nH]2)c1ccccc1OC" . "FFKCRLSRMMVTAN-UHFFFAOYSA-N" . "InChI=1S/C21H19N5O4/c1-3-30-13-10-8-12(9-11-13)19-23-16(18(22)27)17-20(25-19)26(21(28)24-17)14-6-4-5-7-15(14)29-2/h4-11H,3H2,1-2H3,(H2,22,27)(H,24,28)" . "OCc1c(ccnc1N1CCn2c(C1=O)cc1c2CC(C1)(C)C)c1cc(Nc2ccc(cn2)N2CCN(CC2C)C2COC2)c(=O)n(c1)C" . "OCc1c(ccnc1N1CCn2c(C1=O)cc1c2CC(C1)(C)C)c1cc(Nc2ccc(cn2)N2CCN(C[C@@H]2C)C2COC2)c(=O)n(c1)C" . "WNEODWDFDXWOLU-QHCPKHFHSA-N" . "InChI=1S/C37H44N8O4/c1-23-18-42(27-21-49-22-27)9-10-43(23)26-5-6-33(39-17-26)40-30-13-25(19-41(4)35(30)47)28-7-8-38-34(29(28)20-46)45-12-11-44-31(36(45)48)14-24-15-37(2,3)16-32(24)44/h5-8,13-14,17,19,23,27,46H,9-12,15-16,18,20-22H2,1-4H3,(H,39,40)/t23-/m0/s1" . "O=C(c1ccc(cc1)C(C)(C)C)Nc1cccc(c1)c1nc(Nc2ccccc2)c2n(c1)ccn2" . "O=C(c1ccc(cc1)C(C)(C)C)Nc1cccc(c1)c1nc(Nc2ccccc2)c2n(c1)ccn2" . "IJMHHZDBRUGXNO-UHFFFAOYSA-N" . "InChI=1S/C29H27N5O/c1-29(2,3)22-14-12-20(13-15-22)28(35)32-24-11-7-8-21(18-24)25-19-34-17-16-30-27(34)26(33-25)31-23-9-5-4-6-10-23/h4-19H,1-3H3,(H,31,33)(H,32,35)" . "CC(CC(C(=O)NC(C=CS(=O)(=O)c1ccccc1)CCc1ccccc1)NC(=O)N1CCOCC1)C" . "CC(C[C@H](C(=O)N[C@@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)NC(=O)N1CCOCC1)C" . "YUMYYTORLYHUFW-ZUDLOMHPSA-N" . "InChI=1S/C28H37N3O5S/c1-22(2)21-26(30-28(33)31-16-18-36-19-17-31)27(32)29-24(14-13-23-9-5-3-6-10-23)15-20-37(34,35)25-11-7-4-8-12-25/h3-12,15,20,22,24,26H,13-14,16-19,21H2,1-2H3,(H,29,32)(H,30,33)/b20-15+/t24-,26-/m1/s1" . "COC12CCC3(CC1C(C(CC)(C)C)(O)C)C14C2Oc2c4c(CC3N(CC1)CC1CC1)ccc2O" . "CO[C@]12CC[C@]3(C[C@@H]1[C@@](C(CC)(C)C)(O)C)[C@@]14[C@H]2Oc2c4c(C[C@H]3N(CC1)CC1CC1)ccc2O" . "HBENZIXOGRCSQN-VQWWACLZSA-N" . "InChI=1S/C30H43NO4/c1-6-26(2,3)27(4,33)21-16-28-11-12-30(21,34-5)25-29(28)13-14-31(17-18-7-8-18)22(28)15-19-9-10-20(32)24(35-25)23(19)29/h9-10,18,21-22,25,32-33H,6-8,11-17H2,1-5H3/t21-,22-,25-,27+,28-,29+,30-/m1/s1" . "CCc1cc(ccc1CN1CC(C1)C(=O)O)C(=NOCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)C" . "CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C" . "KIHYPELVXPAIDH-HNSNBQBZSA-N" . "InChI=1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+" . "CC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CC=C2c2cccnc2)C)C1)C" . "CC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC=C2c2cccnc2)C)C1)C" . "UVIQSJCZCSLXRZ-UBUQANBQSA-N" . "InChI=1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3/t20-,21-,23-,24-,25-,26+/m0/s1" . "Oc1ccc2c(c1)C13CCCCC3C(C2)N(CC1)C" . "Oc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C" . "JAQUASYNZVUNQP-PVAVHDDUSA-N" . "InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m1/s1" . "Fc1cc(cc(c1CNC1Cc2c(C1)cccc2)F)c1cccc(c1)c1ncn[nH]1" . "Fc1cc(cc(c1CNC1Cc2c(C1)cccc2)F)c1cccc(c1)c1ncn[nH]1" . "WIEDUMBCZQRGSY-UHFFFAOYSA-N" . "InChI=1S/C24H20F2N4/c25-22-11-19(15-6-3-7-18(8-15)24-28-14-29-30-24)12-23(26)21(22)13-27-20-9-16-4-1-2-5-17(16)10-20/h1-8,11-12,14,20,27H,9-10,13H2,(H,28,29,30)" . "CC(Cc1cscc1)NC(=O)NCC(N(C)C)Cc1ccc(cc1)O" . "C[C@@H](Cc1cscc1)NC(=O)NC[C@@H](N(C)C)Cc1ccc(cc1)O" . "MEDBIJOVZJEMBI-YOEHRIQHSA-N" . "InChI=1S/C19H27N3O2S/c1-14(10-16-8-9-25-13-16)21-19(24)20-12-17(22(2)3)11-15-4-6-18(23)7-5-15/h4-9,13-14,17,23H,10-12H2,1-3H3,(H2,20,21,24)/t14-,17-/m0/s1" . "C=CC(=O)N1CCCC1Cn1c(NC(=O)c2ccc(s2)C(F)F)nc2c1ccc(c2)CNC(C(C)(C)C)C" . "C=CC(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)C(F)F)nc2c1ccc(c2)CN[C@H](C(C)(C)C)C" . "NXTKFBGDLDPFLB-PKOBYXMFSA-N" . "InChI=1S/C28H35F2N5O2S/c1-6-24(36)34-13-7-8-19(34)16-35-21-10-9-18(15-31-17(2)28(3,4)5)14-20(21)32-27(35)33-26(37)23-12-11-22(38-23)25(29)30/h6,9-12,14,17,19,25,31H,1,7-8,13,15-16H2,2-5H3,(H,32,33,37)/t17-,19+/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)C(C)C)Cc1ccccc1)CO)CC(=O)O)CCC(=O)O)CS)C)CC(=O)O)CCCN=C(N)N)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(N)C)CCCCN)CC(=O)O)CCC(=O)O " . "CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)N)C(=O)O" . "MOZAQZCGIKWACU-VKDININFSA-N" . "InChI=1S/C97H146N28O36S/c1-48(2)79(96(160)161)123-91(155)60(35-51-15-6-5-7-16-51)119-93(157)66-20-13-33-124(66)73(133)45-104-68(128)40-106-85(149)64(46-126)121-89(153)62(38-77(140)141)114-72(132)44-109-84(148)57(27-29-75(136)137)117-92(156)65(47-162)122-81(145)50(4)110-87(151)61(37-76(138)139)113-71(131)43-107-82(146)54(19-12-32-103-97(101)102)115-86(150)55(17-8-10-30-98)111-69(129)42-108-83(147)56(26-28-74(134)135)116-90(154)63(39-78(142)143)120-94(158)67-21-14-34-125(67)95(159)58(18-9-11-31-99)118-88(152)59(36-52-22-24-53(127)25-23-52)112-70(130)41-105-80(144)49(3)100/h5-7,15-16,22-25,48-50,54-67,79,126-127,162H,8-14,17-21,26-47,98-100H2,1-4H3,(H,104,128)(H,105,144)(H,106,149)(H,107,146)(H,108,147)(H,109,148)(H,110,151)(H,111,129)(H,112,130)(H,113,131)(H,114,132)(H,115,150)(H,116,154)(H,117,156)(H,118,152)(H,119,157)(H,120,158)(H,121,153)(H,122,145)(H,123,155)(H,134,135)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H,160,161)(H4,101,102,103)/t49-,50-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,79-/m0/s1" . "CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)C=Cc1ccc(cc1)F" . "CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccc(cc1)F" . "SYSMVOANBVDZNG-LFYBBSHMSA-N" . "InChI=1S/C20H18FN5O3S3/c1-2-18-24-25-20(31-18)26-32(28,29)16-10-8-15(9-11-16)22-19(30)23-17(27)12-5-13-3-6-14(21)7-4-13/h3-12H,2H2,1H3,(H,25,26)(H2,22,23,27,30)/b12-5+" . "CN(C1CCCCC1N(C(=O)c1ccc(c(c1)Cl)Cl)C)C" . "CN([C@@H]1CCCC[C@H]1N(C(=O)c1ccc(c(c1)Cl)Cl)C)C" . "JGPNMZWFVRQNGU-HUUCEWRRSA-N" . "InChI=1S/C16H22Cl2N2O/c1-19(2)14-6-4-5-7-15(14)20(3)16(21)11-8-9-12(17)13(18)10-11/h8-10,14-15H,4-7H2,1-3H3/t14-,15-/m1/s1" . "O=C1CCC(=C1)N1CC2C(C1)C(C(CC2)OC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F" . "O=C1CCC(=C1)N1C[C@@H]2[C@@H](C1)[C@@H]([C@H](CC2)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F" . "FLNYCRJBCNNHRH-OIYLJQICSA-N" . "InChI=1S/C29H28F7NO2/c1-16(19-10-20(28(31,32)33)12-21(11-19)29(34,35)36)39-26-9-4-18-14-37(23-7-8-24(38)13-23)15-25(18)27(26)17-2-5-22(30)6-3-17/h2-3,5-6,10-13,16,18,25-27H,4,7-9,14-15H2,1H3/t16-,18-,25-,26+,27+/m1/s1" . "OC1CCN(C1)CC(N(C(=O)C(c1ccccc1)c1ccccc1)C)c1ccccc1" . "O[C@H]1CCN(C1)C[C@@H](N(C(=O)C(c1ccccc1)c1ccccc1)C)c1ccccc1" . "JHLHNYVMZCADTC-LOSJGSFVSA-N" . "InChI=1S/C27H30N2O2/c1-28(25(21-11-5-2-6-12-21)20-29-18-17-24(30)19-29)27(31)26(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24-26,30H,17-20H2,1H3/t24-,25+/m0/s1" . "O=c1oc2c(n1Cc1nnn(c1)c1ccccc1Cl)nccc2" . "O=c1oc2c(n1Cc1nnn(c1)c1ccccc1Cl)nccc2" . "DVUFHXDFLFFOFE-UHFFFAOYSA-N" . "InChI=1S/C15H10ClN5O2/c16-11-4-1-2-5-12(11)21-9-10(18-19-21)8-20-14-13(23-15(20)22)6-3-7-17-14/h1-7,9H,8H2" . "Clc1ccccc1C(=O)c1cccnc1c1nnn(c1c1ccncc1)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "Clc1ccccc1C(=O)c1cccnc1c1nnn(c1c1ccncc1)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "CAVRKWRKTNINFF-UHFFFAOYSA-N" . "InChI=1S/C28H16ClF6N5O/c29-22-6-2-1-4-20(22)26(41)21-5-3-9-37-23(21)24-25(17-7-10-36-11-8-17)40(39-38-24)15-16-12-18(27(30,31)32)14-19(13-16)28(33,34)35/h1-14H,15H2" . "Fc1ccc2c(c1)c(Cc1ccc3c(n1)cccc3)c(n2CC(=O)O)C" . "Fc1ccc2c(c1)c(Cc1ccc3c(n1)cccc3)c(n2CC(=O)O)C" . "FATGTHLOZSXOBC-UHFFFAOYSA-N" . "InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)" . "CN1CCC(CC1)CCCNc1ncc(c(n1)C)c1nc2c([nH]1)cc(cc2C)C" . "CN1CCC(CC1)CCCNc1ncc(c(n1)C)c1nc2c([nH]1)cc(cc2C)C" . "FCRFVPZAXGJLPW-UHFFFAOYSA-N" . "InChI=1S/C23H32N6/c1-15-12-16(2)21-20(13-15)27-22(28-21)19-14-25-23(26-17(19)3)24-9-5-6-18-7-10-29(4)11-8-18/h12-14,18H,5-11H2,1-4H3,(H,27,28)(H,24,25,26)" . "C[NH+](c1ccc2c(c1)Sc1c(N2)ccc(c1)[NH+](C)C)C" . "C[NH+](c1ccc2c(c1)Sc1c(N2)ccc(c1)[NH+](C)C)C" . "QTWZICCBKBYHDM-UHFFFAOYSA-P" . "InChI=1S/C16H19N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10,17H,1-4H3/p+2" . "COCCN(C1CCC(CC1)N(c1cc(C#CCN2CCOCC2)cc(c1C)C(=O)NCc1c(C)cc([nH]c1=O)C)CC)C" . "COCCN(C1CCC(CC1)N(c1cc(C#CCN2CCOCC2)cc(c1C)C(=O)NCc1c(C)cc([nH]c1=O)C)CC)C" . "XQFINGFCBFHOPE-UHFFFAOYSA-N" . "InChI=1S/C35H51N5O4/c1-7-40(30-12-10-29(11-13-30)38(5)15-18-43-6)33-23-28(9-8-14-39-16-19-44-20-17-39)22-31(27(33)4)34(41)36-24-32-25(2)21-26(3)37-35(32)42/h21-23,29-30H,7,10-20,24H2,1-6H3,(H,36,41)(H,37,42)" . "NC(=NCCCC(C(=O)NC1CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)C)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)C)N" . "NC(=NCCC[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)C)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)C)N" . "HDHDTKMUACZDAA-PHNIDTBTSA-N" . "InChI=1S/C49H68N18O9S2/c1-26-41(70)63-37(20-30-22-55-25-59-30)46(75)64-35(18-28-10-4-3-5-11-28)44(73)62-34(15-9-17-57-49(53)54)43(72)65-36(19-29-21-58-32-13-7-6-12-31(29)32)45(74)66-38(40(50)69)23-77-78-24-39(47(76)60-26)67-42(71)33(61-27(2)68)14-8-16-56-48(51)52/h3-7,10-13,21-22,25-26,33-39,58H,8-9,14-20,23-24H2,1-2H3,(H2,50,69)(H,55,59)(H,60,76)(H,61,68)(H,62,73)(H,63,70)(H,64,75)(H,65,72)(H,66,74)(H,67,71)(H4,51,52,56)(H4,53,54,57)/t26-,33+,34+,35-,36+,37+,38+,39+/m1/s1" . "COc1cc(ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(n1)[nH]cc2)N1CCC(CC1)O" . "COc1cc(ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(n1)[nH]cc2)N1CCC(CC1)O" . "NMJMRSQTDLRCRQ-UHFFFAOYSA-N" . "InChI=1S/C28H33N5O4S/c1-18(2)38(35,36)26-7-5-4-6-23(26)30-24-17-27(32-28-21(24)10-13-29-28)31-22-9-8-19(16-25(22)37-3)33-14-11-20(34)12-15-33/h4-10,13,16-18,20,34H,11-12,14-15H2,1-3H3,(H3,29,30,31,32)" . "CCCc1nc2c(s1)c1ccccc1nc2N" . "CCCc1nc2c(s1)c1ccccc1nc2N" . "NFYMGJSUKCDVJR-UHFFFAOYSA-N" . "InChI=1S/C13H13N3S/c1-2-5-10-16-11-12(17-10)8-6-3-4-7-9(8)15-13(11)14/h3-4,6-7H,2,5H2,1H3,(H2,14,15)" . "C=CC(=O)Nc1cc(ccc1C)n1c(=O)ccc2c1c1cc(ccc1nc2)c1ccc(cc1)NS(=O)(=O)C" . "C=CC(=O)Nc1cc(ccc1C)n1c(=O)ccc2c1c1cc(ccc1nc2)c1ccc(cc1)NS(=O)(=O)C" . "SFMJNHNUOVADRW-UHFFFAOYSA-N" . "InChI=1S/C29H24N4O4S/c1-4-27(34)31-26-16-23(12-5-18(26)2)33-28(35)14-9-21-17-30-25-13-8-20(15-24(25)29(21)33)19-6-10-22(11-7-19)32-38(3,36)37/h4-17,32H,1H2,2-3H3,(H,31,34)" . "Nc1nnc(c(n1)c1ccccc1)c1cc(C)nc(c1)C" . "Nc1nnc(c(n1)c1ccccc1)c1cc(C)nc(c1)C" . "SORFNYWLKDSNNF-UHFFFAOYSA-N" . "InChI=1S/C16H15N5/c1-10-8-13(9-11(2)18-10)15-14(19-16(17)21-20-15)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,17,19,21)" . "COc1cc(ccc1Nc1nccc(n1)c1cn(c2c1ccnc2)C)N1CCN(CC1)C" . "COc1cc(ccc1Nc1nccc(n1)c1cn(c2c1ccnc2)C)N1CCN(CC1)C" . "ZYVXTMKTGDARKR-UHFFFAOYSA-N" . "InChI=1S/C24H27N7O/c1-29-10-12-31(13-11-29)17-4-5-21(23(14-17)32-3)28-24-26-9-7-20(27-24)19-16-30(2)22-15-25-8-6-18(19)22/h4-9,14-16H,10-13H2,1-3H3,(H,26,27,28)" . "Oc1cc2CCC3C(c2cc1O)c1ccccc1CN3" . "Oc1cc2CC[C@H]3[C@H](c2cc1O)c1ccccc1CN3" . "BGOQGUHWXBGXJW-YOEHRIQHSA-N" . "InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m0/s1" . "C=CC(=O)Nc1cccc(c1)Nc1nc(ncc1F)Nc1ccc(cc1)Oc1ccnc(c1)C(=O)NC" . "C=CC(=O)Nc1cccc(c1)Nc1nc(ncc1F)Nc1ccc(cc1)Oc1ccnc(c1)C(=O)NC" . "VVLHQJDAUIPZFH-UHFFFAOYSA-N" . "InChI=1S/C26H22FN7O3/c1-3-23(35)31-17-5-4-6-18(13-17)32-24-21(27)15-30-26(34-24)33-16-7-9-19(10-8-16)37-20-11-12-29-22(14-20)25(36)28-2/h3-15H,1H2,2H3,(H,28,36)(H,31,35)(H2,30,32,33,34)" . "CC#CC(=O)N1CC[C@H](C1)n1c(=O)n(c2c1ncnc2N)c1ccc(cc1)Oc1ccccc1" . "CC#CC(=O)N1CC[C@H](C1)n1c(=O)n(c2c1ncnc2N)c1ccc(cc1)Oc1ccccc1" . "SEJLPXCPMNSRAM-GOSISDBHSA-N" . "InChI=1S/C25H22N6O3/c1-2-6-21(32)29-14-13-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-9-11-20(12-10-17)34-19-7-4-3-5-8-19/h3-5,7-12,16,18H,13-15H2,1H3,(H2,26,27,28)/t18-/m1/s1" . "CN1CCN(C(=O)C1c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCC2)C" . "CN1CCN(C(=O)[C@H]1c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1cc2c(s1)CCCC2)C" . "CDOOFZZILLRUQH-GDLZYMKVSA-N" . "InChI=1S/C33H36N6O3S/c1-20-24(9-7-10-25(20)36-31(40)28-18-22-8-5-6-11-27(22)43-28)26-19-39(4)33(42)30(35-26)34-23-14-12-21(13-15-23)29-32(41)38(3)17-16-37(29)2/h7,9-10,12-15,18-19,29H,5-6,8,11,16-17H2,1-4H3,(H,34,35)(H,36,40)/t29-/m1/s1" . "CC(=C(C(=O)Nc1cc(Br)ccc1Br)C#N)O" . "C/C(=C(/C(=O)Nc1cc(Br)ccc1Br)/C#N)/O" . "UVSVTDVJQAJIFG-VURMDHGXSA-N" . "InChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,16H,1H3,(H,15,17)/b8-6-" . "CCNC(=O)c1noc(c1c1ccc(cc1)CN1CCOCC1)c1cc(C(C)C)c(cc1O)O" . "CCNC(=O)c1noc(c1c1ccc(cc1)CN1CCOCC1)c1cc(C(C)C)c(cc1O)O" . "NDAZATDQFDPQBD-UHFFFAOYSA-N" . "InChI=1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32)" . "NC(=O)c1c(NC2COCC2)cc(cc1F)n1cc(c2c1CC(C)(C)CC2=O)C" . "NC(=O)c1c(N[C@@H]2COCC2)cc(cc1F)n1cc(c2c1CC(C)(C)CC2=O)C" . "GAGDTKJJVCLACJ-ZDUSSCGKSA-N" . "InChI=1S/C22H26FN3O3/c1-12-10-26(17-8-22(2,3)9-18(27)19(12)17)14-6-15(23)20(21(24)28)16(7-14)25-13-4-5-29-11-13/h6-7,10,13,25H,4-5,8-9,11H2,1-3H3,(H2,24,28)/t13-/m0/s1" . "Cc1cc(cc(c1)C)Oc1ccc(cc1C)CNC(=O)C(N)C" . "Cc1cc(cc(c1)C)Oc1ccc(cc1C)CNC(=O)[C@@H](N)C" . "GLFOFXKMALJTCZ-HNNXBMFYSA-N" . "InChI=1S/C19H24N2O2/c1-12-7-13(2)9-17(8-12)23-18-6-5-16(10-14(18)3)11-21-19(22)15(4)20/h5-10,15H,11,20H2,1-4H3,(H,21,22)/t15-/m0/s1" . "CCCCOC(=O)C(c1cc(O)c2c(c1)OC(C1C2CC(CO)CC1)(C)C)(C)C" . "CCCCOC(=O)C(c1cc(O)c2c(c1)OC([C@H]1[C@H]2C[C@H](CO)CC1)(C)C)(C)C" . "OSVHLUXLWQLPIY-KBAYOESNSA-N" . "InChI=1S/C24H36O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h12-13,15,17-18,25-26H,6-11,14H2,1-5H3/t15-,17-,18-/m1/s1" . "CCCCOc1nc(N)c2c(n1)n(CCCN(Cc1cccc(c1)CC(=O)OC)CCCN1CCOCC1)c(=O)[nH]2" . "CCCCOc1nc(N)c2c(n1)n(CCCN(Cc1cccc(c1)CC(=O)OC)CCCN1CCOCC1)c(=O)[nH]2" . "FEFIBEHSXLKJGI-UHFFFAOYSA-N" . "InChI=1S/C29H43N7O5/c1-3-4-16-41-28-32-26(30)25-27(33-28)36(29(38)31-25)13-7-12-35(11-6-10-34-14-17-40-18-15-34)21-23-9-5-8-22(19-23)20-24(37)39-2/h5,8-9,19H,3-4,6-7,10-18,20-21H2,1-2H3,(H,31,38)(H2,30,32,33)" . "Fc1ccc(cc1)CN1CCN(CC1)C(=O)C=Cc1ccccc1Cl" . "Fc1ccc(cc1)CN1CCN(CC1)C(=O)/C=C/c1ccccc1Cl" . "RMDYFILMTQCLCQ-JXMROGBWSA-N" . "InChI=1S/C20H20ClFN2O/c21-19-4-2-1-3-17(19)7-10-20(25)24-13-11-23(12-14-24)15-16-5-8-18(22)9-6-16/h1-10H,11-15H2/b10-7+" . "CCCC(Oc1nc(N)c2c(n1)n(CCCCCN1CCCCC1)c(=O)[nH]2)C" . "CCC[C@@H](Oc1nc(N)c2c(n1)n(CCCCCN1CCCCC1)c(=O)[nH]2)C" . "LFMPVTVPXHNXOT-HNNXBMFYSA-N" . "InChI=1S/C20H34N6O2/c1-3-10-15(2)28-19-23-17(21)16-18(24-19)26(20(27)22-16)14-9-5-8-13-25-11-6-4-7-12-25/h15H,3-14H2,1-2H3,(H,22,27)(H2,21,23,24)/t15-/m0/s1" . "OB(CCCCC(C(=O)O)(CCN1CCCCC1)N)O" . "OB(CCCC[C@](C(=O)O)(CCN1CCCCC1)N)O" . "CHPILBYRQPOXMV-CYBMUJFWSA-N" . "InChI=1S/C13H27BN2O4/c15-13(12(17)18,6-2-3-8-14(19)20)7-11-16-9-4-1-5-10-16/h19-20H,1-11,15H2,(H,17,18)/t13-/m1/s1" . "NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)OC)CC(C)C)Cc1ccccc1" . "NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)OC)CC(C)C)Cc1ccccc1" . "CSHFHJNMIMPJST-HOTGVXAUSA-N" . "InChI=1S/C20H30N4O5/c1-13(2)9-16(20(28)29-3)24-19(27)15(10-14-7-5-4-6-8-14)23-18(26)12-22-17(25)11-21/h4-8,13,15-16H,9-12,21H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)/t15-,16-/m0/s1" . "O=C1c2c(ccc(c2C(=O)N1c1ccc[n+](c1C)[O-])Cl)NS(=O)(=O)c1ccc(cc1)C(C)(C)C" . "O=C1c2c(ccc(c2C(=O)N1c1ccc[n+](c1C)[O-])Cl)NS(=O)(=O)c1ccc(cc1)C(C)(C)C" . "SEZYEWZALINSCW-UHFFFAOYSA-N" . "InChI=1S/C24H22ClN3O5S/c1-14-19(6-5-13-27(14)31)28-22(29)20-17(25)11-12-18(21(20)23(28)30)26-34(32,33)16-9-7-15(8-10-16)24(2,3)4/h5-13,26H,1-4H3" . "O=C(c1ccc(cc1)N1CCOCC1)Nc1cccc(c1)COc1cncc(c1)C(=O)N" . "O=C(c1ccc(cc1)N1CCOCC1)Nc1cccc(c1)COc1cncc(c1)C(=O)N" . "VKLKXFOZNHEBSW-UHFFFAOYSA-N" . "InChI=1S/C24H24N4O4/c25-23(29)19-13-22(15-26-14-19)32-16-17-2-1-3-20(12-17)27-24(30)18-4-6-21(7-5-18)28-8-10-31-11-9-28/h1-7,12-15H,8-11,16H2,(H2,25,29)(H,27,30)" . "NCC1C(CCC2(C1CCC2=C)C)C1(C)CCC(CC1CO)O" . "NC[C@@H]1[C@H](CC[C@]2([C@H]1CCC2=C)C)[C@@]1(C)CC[C@@H](C[C@@H]1CO)O" . "MDEJTPWQNNMAQF-BVMLLJBZSA-N" . "InChI=1S/C20H35NO2/c1-13-4-5-17-16(11-21)18(7-9-19(13,17)2)20(3)8-6-15(23)10-14(20)12-22/h14-18,22-23H,1,4-12,21H2,2-3H3/t14-,15+,16+,17+,18+,19-,20+/m1/s1" . "COc1nc(nc(c1F)C)N1CC2C(C1)(N=C(N(C2=O)C)N)c1ccc(cc1F)F" . "COc1nc(nc(c1F)C)N1C[C@@H]2[C@](C1)(N=C(N(C2=O)C)N)c1ccc(cc1F)F" . "FNMJFZYRSQTKIH-HXPMCKFVSA-N" . "InChI=1S/C19H19F3N6O2/c1-9-14(22)15(30-3)25-18(24-9)28-7-12-16(29)27(2)17(23)26-19(12,8-28)11-5-4-10(20)6-13(11)21/h4-6,12H,7-8H2,1-3H3,(H2,23,26)/t12-,19+/m0/s1" . "C=CC(=O)N1CCC(C1)Oc1nc(Nc2ccc(cc2)N2CCC(CC2)N2CCN(CC2)C)c(nc1CC)C(=O)N" . "C=CC(=O)N1CC[C@H](C1)Oc1nc(Nc2ccc(cc2)N2CCC(CC2)N2CCN(CC2)C)c(nc1CC)C(=O)N" . "QKDCLUARMDUUKN-XMMPIXPASA-N" . "InChI=1S/C30H42N8O3/c1-4-25-30(41-24-12-15-38(20-24)26(39)5-2)34-29(27(33-25)28(31)40)32-21-6-8-22(9-7-21)36-13-10-23(11-14-36)37-18-16-35(3)17-19-37/h5-9,23-24H,2,4,10-20H2,1,3H3,(H2,31,40)(H,32,34)/t24-/m1/s1" . "OCC(=O)C1(O)C(C)CC2C1(C)CC=C1C2CCC2=CC(=O)C=CC12C" . "OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)CC=C1[C@H]2CCC2=CC(=O)C=C[C@]12C" . "ZYTXTXAMMDTYDQ-DGEXFFLYSA-N" . "InChI=1S/C22H28O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h6-8,11,13,16,18,23,26H,4-5,9-10,12H2,1-3H3/t13-,16-,18+,20+,21+,22+/m1/s1" . "CCC1CN(CC1c1cnc2n1c1cc[nH]c1nc2)C(=O)NCC(F)(F)F" . "CC[C@@H]1CN(C[C@@H]1c1cnc2n1c1cc[nH]c1nc2)C(=O)NCC(F)(F)F" . "WYQFJHHDOKWSHR-MNOVXSKESA-N" . "InChI=1S/C17H19F3N6O/c1-2-10-7-25(16(27)24-9-17(18,19)20)8-11(10)13-5-22-14-6-23-15-12(26(13)14)3-4-21-15/h3-6,10-11,21H,2,7-9H2,1H3,(H,24,27)/t10-,11+/m1/s1" . "CNCCN(Cc1cn[nH]c1c1ccc(cc1)OC1CC(C1)OCCC1CCOCC1)C" . "CNCCN(Cc1cn[nH]c1c1ccc(cc1)OC1CC(C1)OCCC1CCOCC1)C" . "QMDKVNSQXPVCRD-UHFFFAOYSA-N" . "InChI=1S/C25H38N4O3/c1-26-10-11-29(2)18-21-17-27-28-25(21)20-3-5-22(6-4-20)32-24-15-23(16-24)31-14-9-19-7-12-30-13-8-19/h3-6,17,19,23-24,26H,7-16,18H2,1-2H3,(H,27,28)" . "CCC(=O)NCC1CCc2c(N1Cc1ccccc1)cccc2OC" . "CCC(=O)NCC1CCc2c(N1Cc1ccccc1)cccc2OC" . "VLPGTHUDTCBGRU-UHFFFAOYSA-N" . "InChI=1S/C21H26N2O2/c1-3-21(24)22-14-17-12-13-18-19(10-7-11-20(18)25-2)23(17)15-16-8-5-4-6-9-16/h4-11,17H,3,12-15H2,1-2H3,(H,22,24)" . "CC(CCCCn1c(=O)c2n(C)cnc2n(c1=O)C)O" . "C[C@H](CCCCn1c(=O)c2n(C)cnc2n(c1=O)C)O" . "NSMXQKNUPPXBRG-SECBINFHSA-N" . "InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/t9-/m1/s1" . "C=CC(=O)Nc1cc(ccc1Oc1ccccc1)c1nn(c2c1c(N)ncn2)C1CCN(CC1)CCNC(=O)C(CCC12CC3CC(C2)CC(C1)C3)C" . "C=CC(=O)Nc1cc(ccc1Oc1ccccc1)c1nn(c2c1c(N)ncn2)C1CCN(CC1)CCNC(=O)[C@@H](CCC12CC3CC(C2)CC(C1)C3)C" . "GKJWHLDKQULMHJ-PZMWFESPSA-N" . "InChI=1S/C42H52N8O3/c1-3-36(51)47-34-22-31(9-10-35(34)53-33-7-5-4-6-8-33)38-37-39(43)45-26-46-40(37)50(48-38)32-12-16-49(17-13-32)18-15-44-41(52)27(2)11-14-42-23-28-19-29(24-42)21-30(20-28)25-42/h3-10,22,26-30,32H,1,11-21,23-25H2,2H3,(H,44,52)(H,47,51)(H2,43,45,46)/t27-,28?,29?,30?,42?/m1/s1" . "C=CC(=O)Nc1cc(ccc1Oc1ccccc1)c1nn(c2c1c(N)ncn2)C1CCC(CC1)N1CCN(CC1)C(=O)C" . "C=CC(=O)Nc1cc(ccc1Oc1ccccc1)c1nn(c2c1c(N)ncn2)C1CCC(CC1)N1CCN(CC1)C(=O)C" . "FYICDSWKKFSYOM-UHFFFAOYSA-N" . "InChI=1S/C32H36N8O3/c1-3-28(42)36-26-19-22(9-14-27(26)43-25-7-5-4-6-8-25)30-29-31(33)34-20-35-32(29)40(37-30)24-12-10-23(11-13-24)39-17-15-38(16-18-39)21(2)41/h3-9,14,19-20,23-24H,1,10-13,15-18H2,2H3,(H,36,42)(H2,33,34,35)" . "Fc1cccc(c1)N(C(c1ccccc1C)C(=O)NC1CCCCC1)C(=O)Cn1ccnc1C" . "Fc1cccc(c1)N(C(c1ccccc1C)C(=O)NC1CCCCC1)C(=O)Cn1ccnc1C" . "FNYGWXSATBUBER-UHFFFAOYSA-N" . "InChI=1S/C27H31FN4O2/c1-19-9-6-7-14-24(19)26(27(34)30-22-11-4-3-5-12-22)32(23-13-8-10-21(28)17-23)25(33)18-31-16-15-29-20(31)2/h6-10,13-17,22,26H,3-5,11-12,18H2,1-2H3,(H,30,34)" . "[O-][N+](=O)CC(c1c([nH]c2c1ccc(c2)C)c1ccccc1)c1cccs1" . "[O-][N+](=O)CC(c1c([nH]c2c1ccc(c2)C)c1ccccc1)c1cccs1" . "RJSPNRDBWHHFMH-UHFFFAOYSA-N" . "InChI=1S/C21H18N2O2S/c1-14-9-10-16-18(12-14)22-21(15-6-3-2-4-7-15)20(16)17(13-23(24)25)19-8-5-11-26-19/h2-12,17,22H,13H2,1H3" . "O=C(c1ccc(cc1)c1cnc2n1nc(cc2NCC1CCOCC1)NC(C(F)(F)F)(C)C)NC1CC1" . "O=C(c1ccc(cc1)c1cnc2n1nc(cc2NCC1CCOCC1)NC(C(F)(F)F)(C)C)NC1CC1" . "LVBWRNKEBGYENR-UHFFFAOYSA-N" . "InChI=1S/C26H31F3N6O2/c1-25(2,26(27,28)29)33-22-13-20(30-14-16-9-11-37-12-10-16)23-31-15-21(35(23)34-22)17-3-5-18(6-4-17)24(36)32-19-7-8-19/h3-6,13,15-16,19,30H,7-12,14H2,1-2H3,(H,32,36)(H,33,34)" . "N#CSc1ccc2c(c1)c(CC)c([nH]2)C(=O)NCCc1ccc(cc1)N1CCCCC1" . "N#CSc1ccc2c(c1)c(CC)c([nH]2)C(=O)NCCc1ccc(cc1)N1CCCCC1" . "OZEQTGDZTPJNAR-UHFFFAOYSA-N" . "InChI=1S/C25H28N4OS/c1-2-21-22-16-20(31-17-26)10-11-23(22)28-24(21)25(30)27-13-12-18-6-8-19(9-7-18)29-14-4-3-5-15-29/h6-11,16,28H,2-5,12-15H2,1H3,(H,27,30)" . "CCCCCC(C(c1cc(O)c2c(c1)OC(C=C2c1ccncc1)(C)C)C)C" . "CCCCCC(C(c1cc(O)c2c(c1)OC(C=C2c1ccncc1)(C)C)C)C" . "YHUDSHIRWOVVCV-UHFFFAOYSA-N" . "InChI=1S/C25H33NO2/c1-6-7-8-9-17(2)18(3)20-14-22(27)24-21(19-10-12-26-13-11-19)16-25(4,5)28-23(24)15-20/h10-18,27H,6-9H2,1-5H3" . "CN=C(N1N=C(C(C1)c1ccccc1)c1ccc(cc1)Cl)NS(=O)(=O)c1ccc(cc1)Cl" . "CN=C(N1N=C([C@H](C1)c1ccccc1)c1ccc(cc1)Cl)NS(=O)(=O)c1ccc(cc1)Cl" . "AXJQVVLKUYCICH-OAQYLSRUSA-N" . "InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)/t21-/m1/s1" . "CCc1c(nn(c1c1ccc(cc1)Br)c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1" . "CCc1c(nn(c1c1ccc(cc1)Br)c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1" . "HMXDWDSNPRNUKI-UHFFFAOYSA-N" . "InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)" . "CCNC1(CCN(CC1)c1ncnc2c1nc(n2c1ccc(cc1)Cl)c1ccccc1Cl)C(=O)N" . "CCNC1(CCN(CC1)c1ncnc2c1nc(n2c1ccc(cc1)Cl)c1ccccc1Cl)C(=O)N" . "UNAZAADNBYXMIV-UHFFFAOYSA-N" . "InChI=1S/C25H25Cl2N7O/c1-2-31-25(24(28)35)11-13-33(14-12-25)22-20-23(30-15-29-22)34(17-9-7-16(26)8-10-17)21(32-20)18-5-3-4-6-19(18)27/h3-10,15,31H,2,11-14H2,1H3,(H2,28,35)" . "N#Cc1cccc(c1)C(C(NC(=O)C(Oc1ccc(cn1)C(F)(F)F)(C)C)C)Cc1ccc(cc1)Cl" . "N#Cc1cccc(c1)[C@@H]([C@@H](NC(=O)C(Oc1ccc(cn1)C(F)(F)F)(C)C)C)Cc1ccc(cc1)Cl" . "QLYKJCMUNUWAGO-GAJHUEQPSA-N" . "InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1" . "Cc1ncn(c1)c1cc(NC(=O)c2ccc3c(c2)CN(CC3C)c2cncnc2)cc(c1)C(F)(F)F" . "Cc1ncn(c1)c1cc(NC(=O)c2ccc3c(c2)CN(C[C@@H]3C)c2cncnc2)cc(c1)C(F)(F)F" . "CMJJZRAAQMUAFH-INIZCTEOSA-N" . "InChI=1S/C26H23F3N6O/c1-16-11-34(23-9-30-14-31-10-23)13-19-5-18(3-4-24(16)19)25(36)33-21-6-20(26(27,28)29)7-22(8-21)35-12-17(2)32-15-35/h3-10,12,14-16H,11,13H2,1-2H3,(H,33,36)/t16-/m0/s1" . "OCC(n1ccc(cc1=O)c1ccnc(n1)Nc1ccnn1C)c1ccc(c(c1)F)Cl" . "OC[C@@H](n1ccc(cc1=O)c1ccnc(n1)Nc1ccnn1C)c1ccc(c(c1)F)Cl" . "RZUOCXOYPYGSKL-GOSISDBHSA-N" . "InChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1" . "OC1COCCC1NC(=O)c1ncc(c(c1)Cc1ccc(cc1)c1cscn1)C" . "O[C@H]1COCC[C@@H]1NC(=O)c1ncc(c(c1)Cc1ccc(cc1)c1cscn1)C" . "VVZZHFMLRHJXTO-RXVVDRJESA-N" . "InChI=1S/C22H23N3O3S/c1-14-10-23-19(22(27)25-18-6-7-28-11-21(18)26)9-17(14)8-15-2-4-16(5-3-15)20-12-29-13-24-20/h2-5,9-10,12-13,18,21,26H,6-8,11H2,1H3,(H,25,27)/t18-,21-/m0/s1" . "O=C(Nc1ccc(c(c1)Cl)C)NCc1ccc2c(c1)CN(C2=O)C1CCC(=O)NC1=O" . "O=C(Nc1ccc(c(c1)Cl)C)NCc1ccc2c(c1)CN(C2=O)C1CCC(=O)NC1=O" . "DOEVCIHTTTYVCC-UHFFFAOYSA-N" . "InChI=1S/C22H21ClN4O4/c1-12-2-4-15(9-17(12)23)25-22(31)24-10-13-3-5-16-14(8-13)11-27(21(16)30)18-6-7-19(28)26-20(18)29/h2-5,8-9,18H,6-7,10-11H2,1H3,(H2,24,25,31)(H,26,28,29)" . "Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C" . "Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C" . "WCDFXVWDGHHCSI-UHFFFAOYSA-N" . "InChI=1S/C31H35FN2O6/c1-20(2)18-31(38)13-14-34(19-31)29(37)33-23-15-26(17-27(16-23)40-25-11-7-22(32)8-12-25)39-24-9-5-21(6-10-24)30(3,4)28(35)36/h5-12,15-17,20,38H,13-14,18-19H2,1-4H3,(H,33,37)(H,35,36)" . "Fc1ccc(c(c1)C(N1Cc2c(C1=O)cccc2)C(=O)Nc1nccs1)O" . "Fc1ccc(c(c1)C(N1Cc2c(C1=O)cccc2)C(=O)Nc1nccs1)O" . "YTUFHOKUFOQRDF-UHFFFAOYSA-N" . "InChI=1S/C19H14FN3O3S/c20-12-5-6-15(24)14(9-12)16(17(25)22-19-21-7-8-27-19)23-10-11-3-1-2-4-13(11)18(23)26/h1-9,16,24H,10H2,(H,21,22,25)" . "Nc1nc(=O)c2c([nH]1)n(cn2)C1OC2C(C1OP(=O)(O)OCC1C(OP(=O)(OC2)O)C(C(O1)n1cnc2c1ncnc2N)O)O" . "Nc1nc(=O)c2c([nH]1)n(cn2)[C@@H]1O[C@H]2[C@H]([C@H]1OP(=O)(O)OC[C@@H]1[C@@H](OP(=O)(OC2)O)[C@H]([C@@H](O1)n1cnc2c1ncnc2N)O)O" . "XRILCFTWUCUKJR-INFSMZHSSA-N" . "InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1" . "CCC(C(C(=O)NC1CSSCC(NC(=O)C(CCCN=C(N)N)NC(=O)C(Cc2[nH]cnc2)NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)C(C)C)C(C)C)CCC(=O)N)CC(=O)O)Cc1c[nH]c2c1cccc2)Cc1[nH]cnc1)C(=O)NC(C(=O)N)C(O)C)N)C" . "CC[C@@H]([C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2[nH]cnc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)C(C)C)CCC(=O)N)CC(=O)O)Cc1c[nH]c2c1cccc2)Cc1[nH]cnc1)C(=O)N[C@H](C(=O)N)[C@H](O)C)N)C" . "RDTRHBCZFDCUPW-KWICJJCGSA-N" . "InChI=1S/C66H99N23O17S2/c1-8-32(6)50(68)63(104)86-46-27-108-107-26-45(62(103)89-53(33(7)90)54(69)95)85-56(97)39(14-11-17-74-66(70)71)80-59(100)43(20-36-24-73-29-78-36)83-58(99)42(19-35-23-72-28-77-35)79-48(92)25-76-55(96)41(18-34-22-75-38-13-10-9-12-37(34)38)82-60(101)44(21-49(93)94)84-57(98)40(15-16-47(67)91)81-64(105)51(30(2)3)88-65(106)52(31(4)5)87-61(46)102/h9-10,12-13,22-24,28-33,39-46,50-53,75,90H,8,11,14-21,25-27,68H2,1-7H3,(H2,67,91)(H2,69,95)(H,72,77)(H,73,78)(H,76,96)(H,79,92)(H,80,100)(H,81,105)(H,82,101)(H,83,99)(H,84,98)(H,85,97)(H,86,104)(H,87,102)(H,88,106)(H,89,103)(H,93,94)(H4,70,71,74)/t32-,33+,39-,40-,41-,42-,43-,44-,45-,46-,50-,51-,52-,53-/m0/s1" . "N#Cc1ccnc(c1)N1C(=O)CCC1C(=O)N(C(c1ccccc1Cl)C(=O)NC1CC(C1)(F)F)c1cncc(c1)F" . "N#Cc1ccnc(c1)N1C(=O)CC[C@H]1C(=O)N([C@@H](c1ccccc1Cl)C(=O)NC1CC(C1)(F)F)c1cncc(c1)F" . "WIJZXSAJMHAVGX-DHLKQENFSA-N" . "InChI=1S/C28H22ClF3N6O3/c29-21-4-2-1-3-20(21)25(26(40)36-18-11-28(31,32)12-18)37(19-10-17(30)14-34-15-19)27(41)22-5-6-24(39)38(22)23-9-16(13-33)7-8-35-23/h1-4,7-10,14-15,18,22,25H,5-6,11-12H2,(H,36,40)/t22-,25-/m0/s1" . "N#Cc1ccc2c(c1)N(CCCN1CCC(CC1)O)c1c(S2)cccc1" . "N#Cc1ccc2c(c1)N(CCCN1CCC(CC1)O)c1c(S2)cccc1" . "LUALIOATIOESLM-UHFFFAOYSA-N" . "InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2" . "Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2" . "Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2" . "FEBOTPHFXYHVPL-UHFFFAOYSA-N" . "InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)" . "OC1CC(N(C1)C(=O)C1CCCN1C(=O)C(Cc1ccc(cc1)O)NC(=O)C)C(=O)NCC(=O)NC(C(=O)NCC(=O)N)C" . "O[C@H]1C[C@@H](N(C1)C(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)C)C(=O)NCC(=O)N[C@@H](C(=O)NCC(=O)N)C" . "GFJRASPBQLDRRY-TWTQBQJDSA-N" . "InChI=1S/C28H39N7O9/c1-15(25(41)30-12-23(29)39)32-24(40)13-31-26(42)22-11-19(38)14-35(22)28(44)21-4-3-9-34(21)27(43)20(33-16(2)36)10-17-5-7-18(37)8-6-17/h5-8,15,19-22,37-38H,3-4,9-14H2,1-2H3,(H2,29,39)(H,30,41)(H,31,42)(H,32,40)(H,33,36)/t15-,19+,20-,21-,22-/m1/s1" . "COCCOCC12Cc3cnn(c3C=C2CCN(C1)S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)F" . "COCCOC[C@@]12Cc3cnn(c3C=C2CCN(C1)S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)F" . "OMKDFVUMRKROMY-SSEXGKCCSA-N" . "InChI=1S/C30H36FN3O4S/c1-29(2,3)23-5-11-27(12-6-23)39(35,36)33-14-13-24-17-28-22(18-30(24,20-33)21-38-16-15-37-4)19-32-34(28)26-9-7-25(31)8-10-26/h5-12,17,19H,13-16,18,20-21H2,1-4H3/t30-/m1/s1" . "O=C(NC1CNC1=O)OCCCCC1CCCCC1" . "O=C(N[C@H]1CNC1=O)OCCCCC1CCCCC1" . "FNLUJRBWJBUJTC-LBPRGKRZSA-N" . "InChI=1S/C14H24N2O3/c17-13-12(10-15-13)16-14(18)19-9-5-4-8-11-6-2-1-3-7-11/h11-12H,1-10H2,(H,15,17)(H,16,18)/t12-/m0/s1" . "CC(N(CC#C)C)Cc1ccccc1" . "C[C@@H](N(CC#C)C)Cc1ccccc1" . "MEZLKOACVSPNER-GFCCVEGCSA-N" . "InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1" . "COC1CC(CCC1OCCOCc1nnn(c1)CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCn1nc(c2c1ncnc2N)c1ccc2c(c1)nc(o2)N)CC(C1CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C(C(CC2OC(C(=O)C(=O)N3C(C(=O)O1)CCCC3)(O)C(C)CC2)OC)C)C" . "CO[C@@H]1C[C@H](CC[C@@H]1OCCOCc1nnn(c1)CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCn1nc(c2c1ncnc2N)c1ccc2c(c1)nc(o2)N)C[C@H]([C@@H]1CC(=O)[C@H](C)/C=C(/C)/[C@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(/[C@@H](C[C@H]2O[C@](C(=O)C(=O)N3[C@@H](C(=O)O1)CCCC3)(O)[C@H](C)CC2)OC)/C)C" . "QDOGZMBPRITPMZ-LFEDRMHTSA-N" . "InChI=1S/C91H138N12O24/c1-60-18-12-11-13-19-61(2)76(112-8)55-70-24-21-66(7)91(111,127-70)85(108)88(109)102-29-16-14-20-72(102)89(110)125-77(56-73(104)62(3)51-65(6)83(107)84(114-10)82(106)64(5)50-60)63(4)52-67-22-25-75(78(53-67)113-9)124-49-48-123-58-69-57-101(100-98-69)31-33-116-35-37-118-39-41-120-43-45-122-47-46-121-44-42-119-40-38-117-36-34-115-32-27-79(105)94-28-15-17-30-103-87-80(86(92)95-59-96-87)81(99-103)68-23-26-74-71(54-68)97-90(93)126-74/h11-13,18-19,23,26,51,54,57,59-60,62-64,66-67,70,72,75-78,83-84,107,111H,14-17,20-22,24-25,27-50,52-53,55-56,58H2,1-10H3,(H2,93,97)(H,94,105)(H2,92,95,96)/b13-11+,18-12+,61-19+,65-51+/t60-,62-,63-,64-,66-,67-,70+,72-,75+,76-,77+,78-,83+,84+,91-/m1/s1" . "O=C(Nc1cc(cc(c1)C(=NN=C(N)N)C)C(=NN=C(N)N)C)CCCCCCCCC(=O)Nc1cc(cc(c1)C(=NN=C(N)N)C)C(=NN=C(N)N)C" . "O=C(Nc1cc(cc(c1)/C(=N/N=C(N)N)/C)/C(=N/N=C(N)N)/C)CCCCCCCCC(=O)Nc1cc(cc(c1)/C(=N/N=C(N)N)/C)/C(=N/N=C(N)N)/C" . "PWDYHMBTPGXCSN-BFKCERSTSA-N" . "InChI=1S/C34H52N18O2/c1-19(45-49-31(35)36)23-13-24(20(2)46-50-32(37)38)16-27(15-23)43-29(53)11-9-7-5-6-8-10-12-30(54)44-28-17-25(21(3)47-51-33(39)40)14-26(18-28)22(4)48-52-34(41)42/h13-18H,5-12H2,1-4H3,(H,43,53)(H,44,54)(H4,35,36,49)(H4,37,38,50)(H4,39,40,51)(H4,41,42,52)/b45-19-,46-20+,47-21-,48-22+" . "OCC(c1cccc(c1)Cl)NC(=O)c1[nH]cc(c1)c1cc(ncc1Cl)NC(C)C" . "OC[C@H](c1cccc(c1)Cl)NC(=O)c1[nH]cc(c1)c1cc(ncc1Cl)NC(C)C" . "KSERXGMCDHOLSS-LJQANCHMSA-N" . "InChI=1S/C21H22Cl2N4O2/c1-12(2)26-20-8-16(17(23)10-25-20)14-7-18(24-9-14)21(29)27-19(11-28)13-4-3-5-15(22)6-13/h3-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29)/t19-/m1/s1" . "O=C(c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2)NCc1ccco1" . "O=C(c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2)NCc1ccco1" . "NAGKYJATVFXZKN-UHFFFAOYSA-N" . "InChI=1S/C21H16ClFN2O3S/c22-16-4-1-5-17(23)15(16)11-25-18-9-13(6-7-19(18)29-12-20(25)26)21(27)24-10-14-3-2-8-28-14/h1-9H,10-12H2,(H,24,27)" . "CNc1ccnc(n1)Nc1ccc2c(c1)n(c(c2)C)c1ccccc1Oc1cnc2c(c1)ncn2C" . "CNc1ccnc(n1)Nc1ccc2c(c1)n(c(c2)C)c1ccccc1Oc1cnc2c(c1)ncn2C" . "RQVLGMREYUFLPQ-UHFFFAOYSA-N" . "InChI=1S/C27H24N8O/c1-17-12-18-8-9-19(32-27-29-11-10-25(28-2)33-27)13-23(18)35(17)22-6-4-5-7-24(22)36-20-14-21-26(30-15-20)34(3)16-31-21/h4-16H,1-3H3,(H2,28,29,32,33)" . "CN(CC=CC(=O)N1CCCCC(C1)n1c(NC(=O)c2ccnc(c2)C)nc2c1c(Cl)ccc2)C" . "CN(C/C=C/C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(c2)C)nc2c1c(Cl)ccc2)C" . "IOMMMLWIABWRKL-WUTDNEBXSA-N" . "InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1" . "N#Cc1cccc(c1)C(=O)c1cnn(c1N)c1cc(ccc1C)C(=O)NC1CC1" . "N#Cc1cccc(c1)C(=O)c1cnn(c1N)c1cc(ccc1C)C(=O)NC1CC1" . "VGUSQKZDZHAAEE-UHFFFAOYSA-N" . "InChI=1S/C22H19N5O2/c1-13-5-6-16(22(29)26-17-7-8-17)10-19(13)27-21(24)18(12-25-27)20(28)15-4-2-3-14(9-15)11-23/h2-6,9-10,12,17H,7-8,24H2,1H3,(H,26,29)" . "O=[As]c1ccccc1" . "O=[As]c1ccccc1" . "BQVCCPGCDUSGOE-UHFFFAOYSA-N" . "InChI=1S/C6H5AsO/c8-7-6-4-2-1-3-5-6/h1-5H" . "C=CC(=O)Nc1cccc(c1)Oc1nc(Nc2ccc(cc2)N2CCN(CC2)C)nc2c1scc2" . "C=CC(=O)Nc1cccc(c1)Oc1nc(Nc2ccc(cc2)N2CCN(CC2)C)nc2c1scc2" . "FDMQDKQUTRLUBU-UHFFFAOYSA-N" . "InChI=1S/C26H26N6O2S/c1-3-23(33)27-19-5-4-6-21(17-19)34-25-24-22(11-16-35-24)29-26(30-25)28-18-7-9-20(10-8-18)32-14-12-31(2)13-15-32/h3-11,16-17H,1,12-15H2,2H3,(H,27,33)(H,28,29,30)" . "Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(cc1)Oc1ccc(cc1F)C(=O)N" . "Cc1cc(C)cc(c1)[C@@H]1CCCN1Cc1ccc(cc1)Oc1ccc(cc1F)C(=O)N" . "ZHPMYDSXGRRERG-DEOSSOPVSA-N" . "InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)/t24-/m0/s1" . "Fc1ccc(cc1)C(c1nc(Nc2n[nH]c(c2)C)c2c(n1)cccc2)O" . "Fc1ccc(cc1)[C@H](c1nc(Nc2n[nH]c(c2)C)c2c(n1)cccc2)O" . "DCRWIATZWHLIPN-QGZVFWFLSA-N" . "InChI=1S/C19H16FN5O/c1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12/h2-10,17,26H,1H3,(H2,21,22,23,24,25)/t17-/m1/s1" . "C=CC(=O)Nc1cccc(c1)Oc1nc(ncc1Cl)Nc1ccc(cc1OC)N1CCN(CC1)C" . "C=CC(=O)Nc1cccc(c1)Oc1nc(ncc1Cl)Nc1ccc(cc1OC)N1CCN(CC1)C" . "ITTRLTNMFYIYPA-UHFFFAOYSA-N" . "InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)" . "NC(C(=O)O)CCCN" . "N[C@H](C(=O)O)CCCN" . "AHLPHDHHMVZTML-BYPYZUCNSA-N" . "InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1" . "NCCCCC(C(=O)N)NC(=O)C1CCCN1C(=O)C(NC(=O)C1CNC(=O)CC(NC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)C(Cc2ccc(cc2)O)NCc2ccccc2)C(=O)NC(C(=O)NC(C(=O)N1)C(CC)C)CCCN=C(N)N)CCCN=C(N)N" . "NCCCC[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(cc2)O)NCc2ccccc2)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C(CC)C)CCCN=C(N)N)CCCN=C(N)N" . "UWLIKQFWZOPOAX-HRFULILYSA-N" . "InChI=1S/C65H96N20O13/c1-3-38(2)54-62(97)83-49(60(95)81-45(21-13-29-73-65(70)71)63(98)85-30-14-22-50(85)61(96)79-43(55(67)90)19-10-11-27-66)35-75-51(87)33-48(59(94)80-44(57(92)84-54)20-12-28-72-64(68)69)82-58(93)47(32-39-15-6-4-7-16-39)78-53(89)37-76-52(88)36-77-56(91)46(31-40-23-25-42(86)26-24-40)74-34-41-17-8-5-9-18-41/h4-9,15-18,23-26,38,43-50,54,74,86H,3,10-14,19-22,27-37,66H2,1-2H3,(H2,67,90)(H,75,87)(H,76,88)(H,77,91)(H,78,89)(H,79,96)(H,80,94)(H,81,95)(H,82,93)(H,83,97)(H,84,92)(H4,68,69,72)(H4,70,71,73)/t38?,43-,44-,45-,46-,47-,48-,49-,50-,54-/m0/s1" . "O=C(C1CC=CC2C1C(=O)N(CC2)c1ccccc1F)Nc1ccc(c(c1)C(F)(F)F)C" . "O=C([C@H]1CC=C[C@@H]2[C@H]1C(=O)N(CC2)c1ccccc1F)Nc1ccc(c(c1)C(F)(F)F)C" . "LRJGJDKBKCTWKM-HZUJVAHNSA-N" . "InChI=1S/C24H22F4N2O2/c1-14-9-10-16(13-18(14)24(26,27)28)29-22(31)17-6-4-5-15-11-12-30(23(32)21(15)17)20-8-3-2-7-19(20)25/h2-5,7-10,13,15,17,21H,6,11-12H2,1H3,(H,29,31)/t15-,17-,21+/m0/s1" . "Cc1ccc(cc1C(F)(F)F)CSc1nnc(n1Cc1ccco1)c1ccccn1" . "Cc1ccc(cc1C(F)(F)F)CSc1nnc(n1Cc1ccco1)c1ccccn1" . "OQJGZGAYSCWFCK-UHFFFAOYSA-N" . "InChI=1S/C21H17F3N4OS/c1-14-7-8-15(11-17(14)21(22,23)24)13-30-20-27-26-19(18-6-2-3-9-25-18)28(20)12-16-5-4-10-29-16/h2-11H,12-13H2,1H3" . "Oc1cccc(c1)CCN(CC1CC1)CCc1ccccc1" . "Oc1cccc(c1)CCN(CC1CC1)CCc1ccccc1" . "QURAQIGQNZYJHP-UHFFFAOYSA-N" . "InChI=1S/C20H25NO/c22-20-8-4-7-18(15-20)12-14-21(16-19-9-10-19)13-11-17-5-2-1-3-6-17/h1-8,15,19,22H,9-14,16H2" . "Oc1cccc(c1)CCN(CC1CCC1)CCc1ccccc1" . "Oc1cccc(c1)CCN(CC1CCC1)CCc1ccccc1" . "YNVKFHIWFDRVNY-UHFFFAOYSA-N" . "InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2" . "COC1CN(C1)C(=O)c1ccc2c(n1)c(cnc2N)c1ccc(cc1)c1cnn(c1)C" . "COC1CN(C1)C(=O)c1ccc2c(n1)c(cnc2N)c1ccc(cc1)c1cnn(c1)C" . "OJIQEAIHEGJBFE-UHFFFAOYSA-N" . "InChI=1S/C23H22N6O2/c1-28-11-16(9-26-28)14-3-5-15(6-4-14)19-10-25-22(24)18-7-8-20(27-21(18)19)23(30)29-12-17(13-29)31-2/h3-11,17H,12-13H2,1-2H3,(H2,24,25)" . "CC(C(=O)O)N" . "C[C@@H](C(=O)O)N" . "QNAYBMKLOCPYGJ-REOHCLBHSA-N" . "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1nc[nH]c1)CO)CC(C)C)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C1CCCN1C(=O)C(NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)N)CC(=O)O)CC(=O)N)Cc1ccccc1 " . "CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O" . "CSDQEWILNKOWRN-WSDCEOHFSA-N" . "InChI=1S/C65H105N19O17/c1-33(2)24-41(55(91)76-42(25-34(3)4)56(92)81-47(31-85)59(95)80-46(64(100)101)27-38-30-71-32-73-38)75-54(90)40(19-12-13-21-66)74-57(93)43(26-37-16-10-9-11-17-37)77-58(94)44(28-49(68)86)78-61(97)52(36(7)8)83-60(96)48-20-15-23-84(48)63(99)45(29-50(87)88)79-62(98)51(35(5)6)82-53(89)39(67)18-14-22-72-65(69)70/h9-11,16-17,30,32-36,39-48,51-52,85H,12-15,18-29,31,66-67H2,1-8H3,(H2,68,86)(H,71,73)(H,74,93)(H,75,90)(H,76,91)(H,77,94)(H,78,97)(H,79,98)(H,80,95)(H,81,92)(H,82,89)(H,83,96)(H,87,88)(H,100,101)(H4,69,70,72)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-/m0/s1" . "N#Cc1cnc(cn1)Nc1ncc(c(c1)NCC1CNCCO1)C(F)(F)F" . "N#Cc1cnc(cn1)Nc1ncc(c(c1)NC[C@H]1CNCCO1)C(F)(F)F" . "YBYYWUUUGCNAHQ-LLVKDONJSA-N" . "InChI=1S/C16H16F3N7O/c17-16(18,19)12-8-25-14(26-15-9-22-10(4-20)5-24-15)3-13(12)23-7-11-6-21-1-2-27-11/h3,5,8-9,11,21H,1-2,6-7H2,(H2,23,24,25,26)/t11-/m1/s1" . "COc1cc(ccc1NC(=O)OC(C)(C)C)c1nn(c2c1c(N)ncn2)CCN1CCC(CC1)N(C)C" . "COc1cc(ccc1NC(=O)OC(C)(C)C)c1nn(c2c1c(N)ncn2)CCN1CCC(CC1)N(C)C" . "GMPQGWXPDRNCBL-UHFFFAOYSA-N" . "InChI=1S/C26H38N8O3/c1-26(2,3)37-25(35)30-19-8-7-17(15-20(19)36-6)22-21-23(27)28-16-29-24(21)34(31-22)14-13-33-11-9-18(10-12-33)32(4)5/h7-8,15-16,18H,9-14H2,1-6H3,(H,30,35)(H2,27,28,29)" . "Clc1ccc(cc1)Nc1cc2nc3ccccc3n(c2cc1=NC(C)C)c1ccc(cc1)Cl" . "Clc1ccc(cc1)Nc1cc2nc3ccccc3n(c2cc1=NC(C)C)c1ccc(cc1)Cl" . "WDQPAMHFFCXSNU-UHFFFAOYSA-N" . "InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3" . "[NH3]CCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C)C)CCC(=O)O)CCCC[NH3])C)CCCC[NH3])CCC(=O)O)C)C)CCCC[NH3])CC(=O)O)Cc1ccc(cc1)O)C)C)CCCC[NH3])C)Cc1c[nH]c2c1cccc2)CC(=O)O)Cc1ccccc1)C)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(CC(=O)O)N)CC(C)C)CCCC[NH3])C)Cc1ccccc1)Cc1ccc(cc1)O)CC(=O)O)CCCC[NH3])C)CCC(=O)O)CCCC[NH3])CC(C)C" . "[NH3]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)C)CCC(=O)O)CCCC[NH3])C)CCCC[NH3])CCC(=O)O)C)C)CCCC[NH3])CC(=O)O)Cc1ccc(cc1)O)C)C)CCCC[NH3])C)Cc1c[nH]c2c1cccc2)CC(=O)O)Cc1ccccc1)C)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CC(=O)O)N)CC(C)C)CCCC[NH3])C)Cc1ccccc1)Cc1ccc(cc1)O)CC(=O)O)CCCC[NH3])C)CCC(=O)O)CCCC[NH3])CC(C)C" . "FOIYDQXBMQZAML-GNGNDROBSA-N" . "InChI=1S/C197H303N47O56/c1-101(2)87-140(235-180(282)134(59-34-42-84-204)225-182(284)139(73-77-155(253)254)223-167(269)113(16)218-195(297)160(103(5)6)243-183(285)135(60-35-43-85-205)229-192(294)148(97-158(259)260)240-189(291)144(91-118-64-68-122(246)69-65-118)237-187(289)142(89-115-45-20-18-21-46-115)232-169(271)111(14)215-175(277)130(55-30-38-80-200)226-186(288)141(88-102(3)4)236-190(292)146(234-171(273)125(206)95-156(255)256)94-120-100-208-127-52-27-25-50-124(120)127)185(287)228-133(58-33-41-83-203)179(281)231-137(71-75-153(249)250)177(279)216-112(15)170(272)242-150(92-116-47-22-19-23-48-116)196(298)244-86-44-61-151(244)194(296)241-149(98-159(261)262)193(295)238-145(93-119-99-207-126-51-26-24-49-123(119)126)184(286)217-110(13)166(268)220-128(53-28-36-78-198)172(274)211-104(7)162(264)210-108(11)168(270)233-143(90-117-62-66-121(245)67-63-117)188(290)239-147(96-157(257)258)191(293)227-131(56-31-39-81-201)174(276)212-105(8)161(263)209-107(10)164(266)222-138(72-76-154(251)252)181(283)224-129(54-29-37-79-199)173(275)214-109(12)165(267)221-132(57-32-40-82-202)178(280)230-136(70-74-152(247)248)176(278)213-106(9)163(265)219-114(17)197(299)300/h18-27,45-52,62-69,99-114,125,128-151,160,207-208,245-246H,28-44,53-61,70-98,206H2,1-17,198-205H3,(H,209,263)(H,210,264)(H,211,274)(H,212,276)(H,213,278)(H,214,275)(H,215,277)(H,216,279)(H,217,286)(H,218,297)(H,219,265)(H,220,268)(H,221,267)(H,222,266)(H,223,269)(H,224,283)(H,225,284)(H,226,288)(H,227,293)(H,228,287)(H,229,294)(H,230,280)(H,231,281)(H,232,271)(H,233,270)(H,234,273)(H,235,282)(H,236,292)(H,237,289)(H,238,295)(H,239,290)(H,240,291)(H,241,296)(H,242,272)(H,243,285)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,299,300)/t104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,125-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,160-/m0/s1" . "OCC1OC(O)C(C(C1O)O)O" . "OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1O)O)O" . "WQZGKKKJIJFFOK-GASJEMHNSA-N" . "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1" . "CNc1ncc2c(c1)n(CC)c(=O)c(c2)c1cc(NC(=O)Nc2ccccc2)c(cc1Br)F" . "CNc1ncc2c(c1)n(CC)c(=O)c(c2)c1cc(NC(=O)Nc2ccccc2)c(cc1Br)F" . "CEFJVGZHQAGLHS-UHFFFAOYSA-N" . "InChI=1S/C24H21BrFN5O2/c1-3-31-21-12-22(27-2)28-13-14(21)9-17(23(31)32)16-10-20(19(26)11-18(16)25)30-24(33)29-15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,27,28)(H2,29,30,33)" . "O=C(C1CC1)Nc1nccc(c1)Oc1cc(F)c(cc1F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F" . "O=C(C1CC1)Nc1nccc(c1)Oc1cc(F)c(cc1F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F" . "GNNDEPIMDAZHRQ-UHFFFAOYSA-N" . "InChI=1S/C26H21F3N4O4/c27-15-3-5-16(6-4-15)31-24(35)26(8-9-26)25(36)32-20-12-19(29)21(13-18(20)28)37-17-7-10-30-22(11-17)33-23(34)14-1-2-14/h3-7,10-14H,1-2,8-9H2,(H,31,35)(H,32,36)(H,30,33,34)" . "CNC(=O)c1nccc(c1)Oc1ccc(c(c1)F)NC(=O)Nc1cc(nn1c1ccc2c(c1)cccn2)C(C)(C)C" . "CNC(=O)c1nccc(c1)Oc1ccc(c(c1)F)NC(=O)Nc1cc(nn1c1ccc2c(c1)cccn2)C(C)(C)C" . "WVXNSAVVKYZVOE-UHFFFAOYSA-N" . "InChI=1S/C30H28FN7O3/c1-30(2,3)26-17-27(38(37-26)19-7-9-23-18(14-19)6-5-12-33-23)36-29(40)35-24-10-8-20(15-22(24)31)41-21-11-13-34-25(16-21)28(39)32-4/h5-17H,1-4H3,(H,32,39)(H2,35,36,40)" . "CNc1nccc(n1)N1CCC(C1)NC(=O)Nc1ccc(c(c1)C(F)(F)F)CN1CCOCC1" . "CNc1nccc(n1)N1CC[C@@H](C1)NC(=O)Nc1ccc(c(c1)C(F)(F)F)CN1CCOCC1" . "LVIYMOOJJGCMCP-KRWDZBQOSA-N" . "InChI=1S/C22H28F3N7O2/c1-26-20-27-6-4-19(30-20)32-7-5-17(14-32)29-21(33)28-16-3-2-15(18(12-16)22(23,24)25)13-31-8-10-34-11-9-31/h2-4,6,12,17H,5,7-11,13-14H2,1H3,(H,26,27,30)(H2,28,29,33)/t17-/m0/s1" . "COc1cc(ccc1Nc1ncc2c(n1)c(ncc2)NC(C(C)(C)C)C)c1cnn(c1)C" . "COc1cc(ccc1Nc1ncc2c(n1)c(ncc2)N[C@H](C(C)(C)C)C)c1cnn(c1)C" . "XTJZKALDRPVFSN-HNNXBMFYSA-N" . "InChI=1S/C24H29N7O/c1-15(24(2,3)4)28-22-21-17(9-10-25-22)12-26-23(30-21)29-19-8-7-16(11-20(19)32-6)18-13-27-31(5)14-18/h7-15H,1-6H3,(H,25,28)(H,26,29,30)/t15-/m0/s1" . "Cc1n(CC=Cc2ccccc2)c2[n+](c1P(=S)(c1ccccc1)c1ccccc1)cccc2" . "Cc1n(C/C=C/c2ccccc2)c2[n+](c1P(=S)(c1ccccc1)c1ccccc1)cccc2" . "VSWYSDPXUHVQCG-DTQAZKPQSA-N" . "InChI=1S/C29H26N2PS/c1-24-29(32(33,26-17-7-3-8-18-26)27-19-9-4-10-20-27)31-22-12-11-21-28(31)30(24)23-13-16-25-14-5-2-6-15-25/h2-22H,23H2,1H3/q+1/b16-13+" . "Clc1ccc(cc1)C(c1ccccc1)N1CCNCC1" . "Clc1ccc(cc1)C(c1ccccc1)N1CCNCC1" . "UZKBSZSTDQSMDR-UHFFFAOYSA-N" . "InChI=1S/C17H19ClN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2" . "COc1cc(Br)ccc1C1SCCN1S(=O)(=O)c1ccc(cc1)Cl" . "COc1cc(Br)ccc1C1SCCN1S(=O)(=O)c1ccc(cc1)Cl" . "PMPBBWPDHSHENJ-UHFFFAOYSA-N" . "InChI=1S/C16H15BrClNO3S2/c1-22-15-10-11(17)2-7-14(15)16-19(8-9-23-16)24(20,21)13-5-3-12(18)4-6-13/h2-7,10,16H,8-9H2,1H3" . "COc1ccc(cc1N(O)[O])C1SCCN1S(=O)(=O)c1ccc(cc1)C" . "COc1ccc(cc1N(O)[O])C1SCCN1S(=O)(=O)c1ccc(cc1)C" . "AXAIHSGKCYUSAN-UHFFFAOYSA-N" . "InChI=1S/C17H19N2O5S2/c1-12-3-6-14(7-4-12)26(22,23)18-9-10-25-17(18)13-5-8-16(24-2)15(11-13)19(20)21/h3-8,11,17,20H,9-10H2,1-2H3" . "COc1ccc(cc1Br)C1SCCN1S(=O)(=O)c1ccc(cc1)Cl" . "COc1ccc(cc1Br)C1SCCN1S(=O)(=O)c1ccc(cc1)Cl" . "PNGJPVDGZNPZHY-UHFFFAOYSA-N" . "InChI=1S/C16H15BrClNO3S2/c1-22-15-7-2-11(10-14(15)17)16-19(8-9-23-16)24(20,21)13-5-3-12(18)4-6-13/h2-7,10,16H,8-9H2,1H3" . "Clc1cccc(c1Nc1scc(n1)c1ccc(cc1)N(O)[O])Cl" . "Clc1cccc(c1Nc1scc(n1)c1ccc(cc1)N(O)[O])Cl" . "XUVKOFBHMYDXMJ-UHFFFAOYSA-N" . "InChI=1S/C15H10Cl2N3O2S/c16-11-2-1-3-12(17)14(11)19-15-18-13(8-23-15)9-4-6-10(7-5-9)20(21)22/h1-8,21H,(H,18,19)" . "OCc1ccccc1c1nc(NCc2ccccc2)nc(n1)N" . "OCc1ccccc1c1nc(NCc2ccccc2)nc(n1)N" . "MDGIEDNDSFMSLP-UHFFFAOYSA-N" . "InChI=1S/C17H17N5O/c18-16-20-15(14-9-5-4-8-13(14)11-23)21-17(22-16)19-10-12-6-2-1-3-7-12/h1-9,23H,10-11H2,(H3,18,19,20,21,22)" . "OC1CCCC(C1=O)(N)c1ccccc1Cl" . "O[C@@H]1CCC[C@@](C1=O)(N)c1ccccc1Cl" . "CFBVGSWSOJBYGC-ZYHUDNBSSA-N" . "InChI=1S/C12H14ClNO2/c13-9-5-2-1-4-8(9)12(14)7-3-6-10(15)11(12)16/h1-2,4-5,10,15H,3,6-7,14H2/t10-,12-/m1/s1" . "CNC1(CCCCC1=O)c1ccccc1Cl" . "CN[C@]1(CCCCC1=O)c1ccccc1Cl" . "YQEZLKZALYSWHR-CYBMUJFWSA-N" . "InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m1/s1" . "CNC1(CCCCC1=O)c1ccccc1Cl" . "CN[C@@]1(CCCCC1=O)c1ccccc1Cl" . "YQEZLKZALYSWHR-ZDUSSCGKSA-N" . "InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m0/s1" . "N#Cc1ccc(cc1)Oc1ccc2c(c1)COB2O" . "N#Cc1ccc(cc1)Oc1ccc2c(c1)COB2O" . "USZAGAREISWJDP-UHFFFAOYSA-N" . "InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2" . "O=C(C1=C(O)C2C34C(C1)(O)C(Cc1c4c(O2)c(O)cc1)N(CC3)CC1CC1)NC(c1onc(n1)c1ccccc1)(C)C" . "O=C(C1=C(O)[C@H]2[C@]34[C@](C1)(O)[C@@H](Cc1c4c(O2)c(O)cc1)N(CC3)CC1CC1)NC(c1onc(n1)c1ccccc1)(C)C" . "AXQACEQYCPKDMV-RZAWKFBISA-N" . "InChI=1S/C32H34N4O6/c1-30(2,29-33-27(35-42-29)18-6-4-3-5-7-18)34-28(39)20-15-32(40)22-14-19-10-11-21(37)25-23(19)31(32,26(41-25)24(20)38)12-13-36(22)16-17-8-9-17/h3-7,10-11,17,22,26,37-38,40H,8-9,12-16H2,1-2H3,(H,34,39)/t22-,26+,31+,32-/m1/s1" . "OC(=O)CCc1ccc(cc1F)NCc1cccc(c1)c1ccc(cc1C)OCCCS(=O)(=O)C" . "OC(=O)CCc1ccc(cc1F)NCc1cccc(c1)c1ccc(cc1C)OCCCS(=O)(=O)C" . "ODIHLEYTPVYAPY-UHFFFAOYSA-N" . "InChI=1S/C27H30FNO5S/c1-19-15-24(34-13-4-14-35(2,32)33)10-11-25(19)22-6-3-5-20(16-22)18-29-23-9-7-21(26(28)17-23)8-12-27(30)31/h3,5-7,9-11,15-17,29H,4,8,12-14,18H2,1-2H3,(H,30,31)" . "OC(=O)CCc1ccc(cc1F)OCc1cccc(c1)c1ccc(cc1C)OCCOCCNc1ccc(c2=NCN=c12)N(O)[O]" . "OC(=O)CCc1ccc(cc1F)OCc1cccc(c1)c1ccc(cc1C)OCCOCCNc1ccc(c2=NCN=c12)N(O)[O]" . "BNXVSBVQPRGKJS-UHFFFAOYSA-N" . "InChI=1S/C34H34FN4O7/c1-22-17-26(45-16-15-44-14-13-36-30-10-11-31(39(42)43)34-33(30)37-21-38-34)8-9-28(22)25-4-2-3-23(18-25)20-46-27-7-5-24(29(35)19-27)6-12-32(40)41/h2-5,7-11,17-19,36,42H,6,12-16,20-21H2,1H3,(H,40,41)" . "CNCCCc1cncc(c1)CCc1cc(C)cc(n1)N" . "CNCCCc1cncc(c1)CCc1cc(C)cc(n1)N" . "YUXWMCKGSHXUGW-UHFFFAOYSA-N" . "InChI=1S/C17H24N4/c1-13-8-16(21-17(18)9-13)6-5-15-10-14(11-20-12-15)4-3-7-19-2/h8-12,19H,3-7H2,1-2H3,(H2,18,21)" . "COc1cc(cc(c1CN(C)C)OC)c1cn(C)c(=O)c2c1ccnc2" . "COc1cc(cc(c1CN(C)C)OC)c1cn(C)c(=O)c2c1ccnc2" . "RBUYFHLQNPJMQM-UHFFFAOYSA-N" . "InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3" . "OC(C1(CC(C1)(C)O)c1nccc(c1)C(C)(C)C)c1ccccn1" . "O[C@@H]([C@@]1(C[C@](C1)(C)O)c1nccc(c1)C(C)(C)C)c1ccccn1" . "CWNBNHVIRBCANH-RLLQIKCJSA-N" . "InChI=1S/C20H26N2O2/c1-18(2,3)14-8-10-22-16(11-14)20(12-19(4,24)13-20)17(23)15-7-5-6-9-21-15/h5-11,17,23-24H,12-13H2,1-4H3/t17-,19-,20+/m1/s1" . "Fc1ccc(cc1)CC1=NN=CC2C1CN(CC2)C(=O)CCc1nc2c(s1)cccc2" . "Fc1ccc(cc1)CC1=NN=CC2C1CN(CC2)C(=O)CCc1nc2c(s1)cccc2" . "BSWOIMAAUKKRAB-UHFFFAOYSA-N" . "InChI=1S/C24H23FN4OS/c25-18-7-5-16(6-8-18)13-21-19-15-29(12-11-17(19)14-26-28-21)24(30)10-9-23-27-20-3-1-2-4-22(20)31-23/h1-8,14,17,19H,9-13,15H2" . "O=C(N1CC2C(C1)CN(C2)C(=O)c1ccc(c(c1)F)S(=O)(=O)N)OCc1ccc(cc1)OC(F)(F)F" . "O=C(N1C[C@H]2[C@H](C1)CN(C2)C(=O)c1ccc(c(c1)F)S(=O)(=O)N)OCc1ccc(cc1)OC(F)(F)F" . "PCBOWMZAEDDKNH-HOTGVXAUSA-N" . "InChI=1S/C22H21F4N3O6S/c23-18-7-14(3-6-19(18)36(27,32)33)20(30)28-8-15-10-29(11-16(15)9-28)21(31)34-12-13-1-4-17(5-2-13)35-22(24,25)26/h1-7,15-16H,8-12H2,(H2,27,32,33)/t15-,16-/m0/s1" . "Clc1cc(COC(=O)N2CCN(CC2)CCC(=O)c2ccc3c(c2)oc(=O)[nH]3)cc(c1)Cl" . "Clc1cc(COC(=O)N2CCN(CC2)CCC(=O)c2ccc3c(c2)oc(=O)[nH]3)cc(c1)Cl" . "JMSUDQYHPSNBSN-UHFFFAOYSA-N" . "InChI=1S/C22H21Cl2N3O5/c23-16-9-14(10-17(24)12-16)13-31-22(30)27-7-5-26(6-8-27)4-3-19(28)15-1-2-18-20(11-15)32-21(29)25-18/h1-2,9-12H,3-8,13H2,(H,25,29)" . "CN1CCN(CC1)CC(=O)N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1" . "CN1CCN(CC1)CC(=O)N1N=C2C(C1c1ccccc1)CCC/C/2=C/c1ccccc1" . "GEMFAWUXUVGGTE-FCDQGJHFSA-N" . "InChI=1S/C27H32N4O/c1-29-15-17-30(18-16-29)20-25(32)31-27(22-11-6-3-7-12-22)24-14-8-13-23(26(24)28-31)19-21-9-4-2-5-10-21/h2-7,9-12,19,24,27H,8,13-18,20H2,1H3/b23-19+" . "CCCCCCC(c1cc(O)c2c(c1)OC(C1C2CC(=O)CC1)(C)C)(C)C" . "CCCCCCC(c1cc(O)c2c(c1)OC(C1C2CC(=O)CC1)(C)C)(C)C" . "GECBBEABIDMGGL-UHFFFAOYSA-N" . "InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3" . "OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C(C)C)CCCN=C(N)N)CC(C)C)CC(C)C)C)CC(C)C)C(C)C)CC(=O)N)CCC(=O)O)C(C)C)CCC(=O)O)CC(C)C)CC(=O)O)CCC(=O)N)CC(=O)O)C(C)C)N " . "CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)O)C(C)C" . "FQPFUCOMMICWOE-CPPASMBOSA-N" . "InChI=1S/C102H169N27O34/c1-46(2)36-60(117-93(154)65(41-76(139)140)120-86(147)57(26-29-70(104)131)113-92(153)66(42-77(141)142)122-97(158)78(50(9)10)123-83(144)55(103)45-130)85(146)110-44-73(134)127-33-19-23-67(127)95(156)115-59(28-31-75(137)138)89(150)125-80(52(13)14)100(161)129-35-21-25-69(129)99(160)128-34-20-24-68(128)96(157)114-58(27-30-74(135)136)87(148)119-64(40-71(105)132)94(155)124-79(51(11)12)98(159)121-61(37-47(3)4)84(145)109-43-72(133)111-54(17)82(143)116-62(38-48(5)6)91(152)118-63(39-49(7)8)90(151)112-56(22-18-32-108-102(106)107)88(149)126-81(53(15)16)101(162)163/h46-69,78-81,130H,18-45,103H2,1-17H3,(H2,104,131)(H2,105,132)(H,109,145)(H,110,146)(H,111,133)(H,112,151)(H,113,153)(H,114,157)(H,115,156)(H,116,143)(H,117,154)(H,118,152)(H,119,148)(H,120,147)(H,121,159)(H,122,158)(H,123,144)(H,124,155)(H,125,150)(H,126,149)(H,135,136)(H,137,138)(H,139,140)(H,141,142)(H,162,163)(H4,106,107,108)/t54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,78-,79-,80-,81-/m0/s1" . "O=C(C(NC(=O)c1ccc(c(c1)OCc1ccc(cc1)O)N)CCc1ccccc1)OC(C)(C)C" . "O=C([C@H](NC(=O)c1ccc(c(c1)OCc1ccc(cc1)O)N)CCc1ccccc1)OC(C)(C)C" . "NRHPXDROGIVILZ-XMMPIXPASA-N" . "InChI=1S/C28H32N2O5/c1-28(2,3)35-27(33)24(16-11-19-7-5-4-6-8-19)30-26(32)21-12-15-23(29)25(17-21)34-18-20-9-13-22(31)14-10-20/h4-10,12-15,17,24,31H,11,16,18,29H2,1-3H3,(H,30,32)/t24-/m1/s1" . "O=C(C(NC(=O)c1ccc(c(c1)CCc1ccc(cc1)O)N)CCc1ccccc1)OC(C)(C)C" . "O=C([C@@H](NC(=O)c1ccc(c(c1)CCc1ccc(cc1)O)N)CCc1ccccc1)OC(C)(C)C" . "OACODUCFPHHCIH-SANMLTNESA-N" . "InChI=1S/C29H34N2O4/c1-29(2,3)35-28(34)26(18-12-20-7-5-4-6-8-20)31-27(33)23-14-17-25(30)22(19-23)13-9-21-10-15-24(32)16-11-21/h4-8,10-11,14-17,19,26,32H,9,12-13,18,30H2,1-3H3,(H,31,33)/t26-/m0/s1" . "Cc1sc(c(n1)C(=O)N1CCCC1Cc1nnc(o1)c1ccccc1)c1ccccc1F" . "Cc1sc(c(n1)C(=O)N1CCC[C@H]1Cc1nnc(o1)c1ccccc1)c1ccccc1F" . "HYBZWVLPALMACV-KRWDZBQOSA-N" . "InChI=1S/C24H21FN4O2S/c1-15-26-21(22(32-15)18-11-5-6-12-19(18)25)24(30)29-13-7-10-17(29)14-20-27-28-23(31-20)16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-14H2,1H3/t17-/m0/s1" . "COc1ccc2c(c1)ccc(c2)c1cc(nn1C(c1ccc(cc1)C(=O)NCCC(=O)O)C)c1cc(Cl)cc(c1)Cl" . "COc1ccc2c(c1)ccc(c2)c1cc(nn1[C@H](c1ccc(cc1)C(=O)NCCC(=O)O)C)c1cc(Cl)cc(c1)Cl" . "DNTVJEMGHBIUMW-IBGZPJMESA-N" . "InChI=1S/C32H27Cl2N3O4/c1-19(20-3-5-21(6-4-20)32(40)35-12-11-31(38)39)37-30(18-29(36-37)25-14-26(33)17-27(34)15-25)24-8-7-23-16-28(41-2)10-9-22(23)13-24/h3-10,13-19H,11-12H2,1-2H3,(H,35,40)(H,38,39)/t19-/m0/s1" . "Fc1ccc2c(c1)c(n[nH]2)Nc1ccnc2c1cc(cc2)S(=O)(=O)C(C)(C)C" . "Fc1ccc2c(c1)c(n[nH]2)Nc1ccnc2c1cc(cc2)S(=O)(=O)C(C)(C)C" . "XLOGLWKOHPIJLV-UHFFFAOYSA-N" . "InChI=1S/C20H19FN4O2S/c1-20(2,3)28(26,27)13-5-7-16-14(11-13)17(8-9-22-16)23-19-15-10-12(21)4-6-18(15)24-25-19/h4-11H,1-3H3,(H2,22,23,24,25)" . "COCCNCc1ccc(nc1)c1sc2c(c1)nccc2Oc1ccc(cc1F)NC(=S)NC(=O)Cc1ccc(cc1)F" . "COCCNCc1cnc(cc1)c1cc2nccc(c2s1)Oc1c(cc(cc1)NC(=S)NC(=O)Cc1ccc(cc1)F)F" . "YRCHYHRCBXNYNU-UHFFFAOYSA-N" . "InChI=1S/C31H27F2N5O3S2/c1-40-13-12-34-17-20-4-8-24(36-18-20)28-16-25-30(43-28)27(10-11-35-25)41-26-9-7-22(15-23(26)33)37-31(42)38-29(39)14-19-2-5-21(32)6-3-19/h2-11,15-16,18,34H,12-14,17H2,1H3,(H2,37,38,39,42)" . "FC1CCN(C1)S(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(cn2)c1cnc(nc1)C1CC1)F" . "F[C@@H]1CCN(C1)S(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(cn2)c1cnc(nc1)C1CC1)F" . "YYACLQUDUDXAPA-MRXNPFEDSA-N" . "InChI=1S/C25H21F3N6O3S/c26-16-5-6-34(12-16)38(36,37)33-20-4-3-19(27)21(22(20)28)23(35)18-11-32-25-17(18)7-14(8-31-25)15-9-29-24(30-10-15)13-1-2-13/h3-4,7-11,13,16,33H,1-2,5-6,12H2,(H,31,32)/t16-/m1/s1" . "Oc1ccc(cc1)C(=O)Nc1cc(ccc1C)NC(=O)c1cccc(c1)N(C)C" . "Oc1ccc(cc1)C(=O)Nc1cc(ccc1C)NC(=O)c1cccc(c1)N(C)C" . "PYEFPDQFAZNXLI-UHFFFAOYSA-N" . "InChI=1S/C23H23N3O3/c1-15-7-10-18(24-23(29)17-5-4-6-19(13-17)26(2)3)14-21(15)25-22(28)16-8-11-20(27)12-9-16/h4-14,27H,1-3H3,(H,24,29)(H,25,28)" . "O=C1CCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(O)C(=O)C)C)C)C" . "O=C1CC[C@]2(C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C)C" . "VXIMPSPISRVBPZ-NWUMPJBXSA-N" . "InChI=1S/C22H30O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h11-12,16-18,25H,5-10H2,1-4H3/t16-,17+,18+,20-,21+,22+/m1/s1" . "CCOc1cc(F)c(c(c1)F)Cn1nc(c(c1OC)C)c1ncc(c(n1)Nc1ccncc1)OC" . "CCOc1cc(F)c(c(c1)F)Cn1nc(c(c1OC)C)c1ncc(c(n1)Nc1ccncc1)OC" . "LMRCQVHTZUUHFN-UHFFFAOYSA-N" . "InChI=1S/C24H24F2N6O3/c1-5-35-16-10-18(25)17(19(26)11-16)13-32-24(34-4)14(2)21(31-32)23-28-12-20(33-3)22(30-23)29-15-6-8-27-9-7-15/h6-12H,5,13H2,1-4H3,(H,27,28,29,30)" . "CCOc1cc(F)c(c(c1)F)Cn1nc(c(c1C1CC1)C)c1ncc(c(n1)Nc1ccncc1)OC" . "CCOc1cc(F)c(c(c1)F)Cn1nc(c(c1C1CC1)C)c1ncc(c(n1)Nc1ccncc1)OC" . "WAELFQHBZPHEMW-UHFFFAOYSA-N" . "InChI=1S/C26H26F2N6O2/c1-4-36-18-11-20(27)19(21(28)12-18)14-34-24(16-5-6-16)15(2)23(33-34)26-30-13-22(35-3)25(32-26)31-17-7-9-29-10-8-17/h7-13,16H,4-6,14H2,1-3H3,(H,29,30,31,32)" . "CC(C(=O)O)NC(=O)C(CP(=O)(C(N)C)O)Cc1ccc(cc1)c1ccccc1" . "C[C@@H](C(=O)O)NC(=O)[C@@H](CP(=O)([C@@H](N)C)O)Cc1ccc(cc1)c1ccccc1" . "CWJPVKSBGVPXRD-QMTMVMCOSA-N" . "InChI=1S/C21H27N2O5P/c1-14(21(25)26)23-20(24)19(13-29(27,28)15(2)22)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14-15,19H,12-13,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t14-,15+,19+/m0/s1" . "COc1cc(ccc1OC)CC1c2cc(OC)c(cc2CCN1C(c1ccccc1)C(=O)NC(C)C)OC" . "COc1cc(ccc1OC)C[C@H]1c2cc(OC)c(cc2CCN1[C@H](c1ccccc1)C(=O)NC(C)C)OC" . "HXHOBPVRRPCTLG-SETSBSEESA-N" . "InChI=1S/C31H38N2O5/c1-20(2)32-31(34)30(22-10-8-7-9-11-22)33-15-14-23-18-28(37-5)29(38-6)19-24(23)25(33)16-21-12-13-26(35-3)27(17-21)36-4/h7-13,17-20,25,30H,14-16H2,1-6H3,(H,32,34)/t25-,30+/m0/s1" . "Fc1ccc(cc1)S(=O)(=O)N(c1ccccc1c1ccccc1)Cc1[nH]ccn1" . "Fc1ccc(cc1)S(=O)(=O)N(c1ccccc1c1ccccc1)Cc1[nH]ccn1" . "PCDMCECXKAELMI-UHFFFAOYSA-N" . "InChI=1S/C22H18FN3O2S/c23-18-10-12-19(13-11-18)29(27,28)26(16-22-24-14-15-25-22)21-9-5-4-8-20(21)17-6-2-1-3-7-17/h1-15H,16H2,(H,24,25)" . "NC(=O)CC1N=C(c2ccc(cc2)Cl)c2c(c3c1onc3C)cccc2" . "NC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(c3c1onc3C)cccc2" . "GCWIQUVXWZWCLE-INIZCTEOSA-N" . "InChI=1S/C20H16ClN3O2/c1-11-18-14-4-2-3-5-15(14)19(12-6-8-13(21)9-7-12)23-16(10-17(22)25)20(18)26-24-11/h2-9,16H,10H2,1H3,(H2,22,25)/t16-/m0/s1" . "CCS(=O)(=O)Nc1ccc(c(c1)c1cn(C)c(=O)c2c1cc[nH]2)Oc1ccc(cc1F)F" . "CCS(=O)(=O)Nc1ccc(c(c1)c1cn(C)c(=O)c2c1cc[nH]2)Oc1ccc(cc1F)F" . "RDONXGFGWSSFMY-UHFFFAOYSA-N" . "InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3" . "OC(=O)c1ccc(cc1)CN1CCC(CC1)CNC1CC1c1ccccc1" . "OC(=O)c1ccc(cc1)CN1CCC(CC1)CN[C@@H]1C[C@H]1c1ccccc1" . "LRULVYSBRWUVGR-FCHUYYIVSA-N" . "InChI=1S/C23H28N2O2/c26-23(27)20-8-6-18(7-9-20)16-25-12-10-17(11-13-25)15-24-22-14-21(22)19-4-2-1-3-5-19/h1-9,17,21-22,24H,10-16H2,(H,26,27)/t21-,22+/m0/s1" . "O=C(c1sc2c(c1C)c(=O)[nH]cn2)Nc1nncs1" . "O=C(c1sc2c(c1C)c(=O)[nH]cn2)Nc1nncs1" . "CDWYKQOLMLZLKK-UHFFFAOYSA-N" . "InChI=1S/C10H7N5O2S2/c1-4-5-7(16)11-2-12-9(5)19-6(4)8(17)14-10-15-13-3-18-10/h2-3H,1H3,(H,11,12,16)(H,14,15,17)" . "COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(c2c1cccc2)C(C1CCN(CC1)CC(F)(F)F)C" . "COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(c2c1cccc2)[C@@H](C1CCN(CC1)CC(F)(F)F)C" . "HPODOLXTMDHLLC-QGZVFWFLSA-N" . "InChI=1S/C27H33F3N4O3/c1-16-13-23(37-4)21(25(35)32-16)14-31-26(36)24-18(3)34(22-8-6-5-7-20(22)24)17(2)19-9-11-33(12-10-19)15-27(28,29)30/h5-8,13,17,19H,9-12,14-15H2,1-4H3,(H,31,36)(H,32,35)/t17-/m1/s1" . "COc1ccc(cc1CSc1ccc(cc1)NC(=O)C)C1Nc2cccc(c2C(=O)N1Cc1ccccc1)O" . "COc1ccc(cc1CSc1ccc(cc1)NC(=O)C)C1Nc2cccc(c2C(=O)N1Cc1ccccc1)O" . "DWYMDWVNEIIEHC-UHFFFAOYSA-N" . "InChI=1S/C31H29N3O4S/c1-20(35)32-24-12-14-25(15-13-24)39-19-23-17-22(11-16-28(23)38-2)30-33-26-9-6-10-27(36)29(26)31(37)34(30)18-21-7-4-3-5-8-21/h3-17,30,33,36H,18-19H2,1-2H3,(H,32,35)" . "CC1CCC(C1(C)C)CCCC(=O)O" . "CC1CCC(C1(C)C)CCCC(=O)O" . "LYFXCRCUENNESS-UHFFFAOYSA-N" . "InChI=1S/C12H22O2/c1-9-7-8-10(12(9,2)3)5-4-6-11(13)14/h9-10H,4-8H2,1-3H3,(H,13,14)" . "COc1cc2OC(CC(=O)c2c(c1OC)O)c1ccc(cc1)O" . "COc1cc2O[C@@H](CC(=O)c2c(c1OC)O)c1ccc(cc1)O" . "DEOJMRBCCZJDEC-LBPRGKRZSA-N" . "InChI=1S/C17H16O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-6,8,12,18,20H,7H2,1-2H3/t12-/m0/s1" . "CC(N1CCCN(CC1)C(=O)C1CCN(CC1)c1ccc(nc1)C(F)(F)F)C" . "CC(N1CCCN(CC1)C(=O)C1CCN(CC1)c1ccc(nc1)C(F)(F)F)C" . "AHHPKVQYHXNBQN-UHFFFAOYSA-N" . "InChI=1S/C20H29F3N4O/c1-15(2)25-8-3-9-27(13-12-25)19(28)16-6-10-26(11-7-16)17-4-5-18(24-14-17)20(21,22)23/h4-5,14-16H,3,6-13H2,1-2H3" . "C1CCN(C1)CCOc1ccc(cc1)c1ccccc1" . "C1CCN(C1)CCOc1ccc(cc1)c1ccccc1" . "PKUGRVAJRGZDJP-UHFFFAOYSA-N" . "InChI=1S/C18H21NO/c1-2-6-16(7-3-1)17-8-10-18(11-9-17)20-15-14-19-12-4-5-13-19/h1-3,6-11H,4-5,12-15H2" . "Fc1ccc(cn1)c1ccc2c(c1)[nH]c1c2cncc1" . "[18F]c1ccc(cn1)c1ccc2c(c1)[nH]c1c2cncc1" . "GETAAWDSFUCLBS-SJPDSGJFSA-N" . "InChI=1S/C16H10FN3/c17-16-4-2-11(8-19-16)10-1-3-12-13-9-18-6-5-14(13)20-15(12)7-10/h1-9,20H/i17-1" . "Fc1ccc(cc1)C(=O)CCCN1CCC2C(C1)c1cccc3c1N2CCN3C" . "Fc1ccc(cc1)C(=O)CCCN1CCC2C(C1)c1cccc3c1N2CCN3C" . "HOIIHACBCFLJET-UHFFFAOYSA-N" . "InChI=1S/C24H28FN3O/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3" . "COc1ccc(c(c1)C(C(N)C)O)OC" . "COc1ccc(c(c1)C(C(N)C)O)OC" . "WJAJPNHVVFWKKL-UHFFFAOYSA-N" . "InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3" . "CN1CC=CCCOc2cccc(c2)c2nc(Nc3cc(C1)ccc3)ncc2" . "CN1C/C=C/CCOc2cccc(c2)c2nc(Nc3cc(C1)ccc3)ncc2" . "VXBAJLGYBMTJCY-NSCUHMNNSA-N" . "InChI=1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+" . "Nc1ccc(c(c1)N)N=Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(c(c1)S(=O)(=O)O)N=Nc1ccc(cc1N)N" . "Nc1ccc(c(c1)N)/N=N/c1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(c(c1)S(=O)(=O)O)/N=N/c1ccc(cc1N)N" . "ADRMADAIKSWNOR-GOCYIQQKSA-N" . "InChI=1S/C28H24N10O7S2/c29-15-2-6-22(20(31)10-15)35-33-17-4-1-14-9-26(47(43,44)45)27(28(39)19(14)12-17)38-34-18-5-8-24(25(13-18)46(40,41)42)37-36-23-7-3-16(30)11-21(23)32/h1-13,39H,29-32H2,(H,40,41,42)(H,43,44,45)/b35-33-,37-36+,38-34+" . "[O-][N+](=O)c1ccc(c(c1)OC1CCCCC1)NS(=O)(=O)C" . "[O-][N+](=O)c1ccc(c(c1)OC1CCCCC1)NS(=O)(=O)C" . "KTDZCOWXCWUPEO-UHFFFAOYSA-N" . "InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3" . "O=C(NC(P(=O)(CC(C(=O)NC(C(=O)O)C)Cc1ccc(cc1)c1ccccc1)O)C)OCOC(=O)C(C)C" . "O=C(N[C@H](P(=O)(C[C@H](C(=O)N[C@H](C(=O)O)C)Cc1ccc(cc1)c1ccccc1)O)C)OCOC(=O)C(C)C" . "HLACXNCYLIKGES-YCRNBWNJSA-N" . "InChI=1S/C27H35N2O9P/c1-17(2)26(33)37-16-38-27(34)29-19(4)39(35,36)15-23(24(30)28-18(3)25(31)32)14-20-10-12-22(13-11-20)21-8-6-5-7-9-21/h5-13,17-19,23H,14-16H2,1-4H3,(H,28,30)(H,29,34)(H,31,32)(H,35,36)/t18-,19+,23+/m0/s1" . "CCOC(=O)C1(CCCCCCOc2ccc(cc2)Cl)OC1" . "CCOC(=O)[C@]1(CCCCCCOc2ccc(cc2)Cl)OC1" . "DZLOHEOHWICNIL-QGZVFWFLSA-N" . "InChI=1S/C17H23ClO4/c1-2-20-16(19)17(13-22-17)11-5-3-4-6-12-21-15-9-7-14(18)8-10-15/h7-10H,2-6,11-13H2,1H3/t17-/m1/s1" . "ClCC(=O)C1(O)C(C)CC2C1(C)CC(=O)C1(C2CCC2=CC(=O)C=CC12C)F" . "ClCC(=O)[C@@]1(O)[C@@H](C)C[C@@H]2[C@]1(C)CC(=O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F" . "XXIFVOHLGBURIG-OZCCCYNHSA-N" . "InChI=1S/C22H26ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-16,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,19-,20-,21-,22-/m0/s1" . "CN1CCC23C4C1Cc1c3c(OC2C(C=C4)O)c(cc1)OCCN1CCOCC1" . "CN1CC[C@@]23[C@@H]4[C@H]1Cc1c3c(O[C@H]2[C@H](C=C4)O)c(cc1)OCCN1CCOCC1" . "GPFAJKDEDBRFOS-FKQDBXSBSA-N" . "InChI=1S/C23H30N2O4/c1-24-7-6-23-16-3-4-18(26)22(23)29-21-19(5-2-15(20(21)23)14-17(16)24)28-13-10-25-8-11-27-12-9-25/h2-5,16-18,22,26H,6-14H2,1H3/t16-,17+,18-,22-,23-/m0/s1" . "O=C1N(CCc2c1cccc2)c1ccc(cc1)c1cc[nH]n1" . "O=C1N(CCc2c1cccc2)c1ccc(cc1)c1cc[nH]n1" . "NEEFLDGZGNPYSN-UHFFFAOYSA-N" . "InChI=1S/C18H15N3O/c22-18-16-4-2-1-3-13(16)10-12-21(18)15-7-5-14(6-8-15)17-9-11-19-20-17/h1-9,11H,10,12H2,(H,19,20)" . "CC(=O)OC1C=CC2C34C1Oc1c4c(CC2N(CC3)C)ccc1OC(=O)C" . "CC(=O)O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1OC(=O)C" . "GVGLGOZIDCSQPN-PVHGPHFFSA-N" . "InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1" . "CCC(=O)C(c1ccccc1)(c1ccccc1)CC(N1CCCCC1)C" . "CCC(=O)C(c1ccccc1)(c1ccccc1)CC(N1CCCCC1)C" . "SVDHSZFEQYXRDC-UHFFFAOYSA-N" . "InChI=1S/C24H31NO/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)25-17-11-6-12-18-25/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3" . "OC(=O)c1ccc(c(c1)F)C1=NN(C2C1N=CC=C2)C(=O)c1c(Cl)cccc1C(F)(F)F" . "OC(=O)c1ccc(c(c1)F)C1=NN(C2C1N=CC=C2)C(=O)c1c(Cl)cccc1C(F)(F)F" . "ODEANEWMWSRFHI-UHFFFAOYSA-N" . "InChI=1S/C21H12ClF4N3O3/c22-13-4-1-3-12(21(24,25)26)16(13)19(30)29-15-5-2-8-27-18(15)17(28-29)11-7-6-10(20(31)32)9-14(11)23/h1-9,15,18H,(H,31,32)" . "Fc1cc(C(=O)O)c(cc1C1=NN(C2C1N=CC=C2)C(=O)c1c(Cl)cccc1C(F)(F)F)O" . "Fc1cc(C(=O)O)c(cc1C1=NN(C2C1N=CC=C2)C(=O)c1c(Cl)cccc1C(F)(F)F)O" . "LCOVNUGQIUYGLV-UHFFFAOYSA-N" . "InChI=1S/C21H12ClF4N3O4/c22-12-4-1-3-11(21(24,25)26)16(12)19(31)29-14-5-2-6-27-18(14)17(28-29)9-8-15(30)10(20(32)33)7-13(9)23/h1-8,14,18,30H,(H,32,33)" . "Fc1ccc(c(c1)C)N(C(=O)c1ccncc1C)Cc1cccc2c1cc([nH]2)C" . "Fc1ccc(c(c1)C)N(C(=O)c1ccncc1C)Cc1cccc2c1cc([nH]2)C" . "FMASTMURQSHELY-UHFFFAOYSA-N" . "InChI=1S/C24H22FN3O/c1-15-11-19(25)7-8-23(15)28(24(29)20-9-10-26-13-16(20)2)14-18-5-4-6-22-21(18)12-17(3)27-22/h4-13,27H,14H2,1-3H3" . "O=C(N1CC(C1)Oc1ccc(cn1)c1ccccc1)Nc1cccnn1" . "O=C(N1CC(C1)Oc1ccc(cn1)c1ccccc1)Nc1cccnn1" . "VSQUREFTKYDATG-UHFFFAOYSA-N" . "InChI=1S/C19H17N5O2/c25-19(22-17-7-4-10-21-23-17)24-12-16(13-24)26-18-9-8-15(11-20-18)14-5-2-1-3-6-14/h1-11,16H,12-13H2,(H,22,23,25)" . "ClCCN(C(=O)Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2O)C)CCCl" . "ClCCN(C(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)CCCl" . "FRPJXPJMRWBBIH-RBRWEJTLSA-N" . "InChI=1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3/t18-,19-,20+,21+,23+/m1/s1" . "CN(N=Nc1[nH]cnc1C(=O)N)C" . "CN(N=Nc1[nH]cnc1C(=O)N)C" . "FDKXTQMXEQVLRF-UHFFFAOYSA-N" . "InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)" . "CCOP(=O)(SCC[N+](C)(C)C)OCC" . "CCOP(=O)(SCC[N+](C)(C)C)OCC" . "BJOLKYGKSZKIGU-UHFFFAOYSA-N" . "InChI=1S/C9H23NO3PS/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5/h6-9H2,1-5H3/q+1" . "CC[N+](c1cccc(c1)O)(C)C" . "CC[N+](c1cccc(c1)O)(C)C" . "VWLHWLSRQJQWRG-UHFFFAOYSA-O" . "InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1" . "c1ccc(cc1)C=CCN1CCN(CC1)C(c1ccccc1)c1ccccc1" . "c1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccccc1)c1ccccc1" . "DERZBLKQOCDDDZ-JLHYYAGUSA-N" . "InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+" . "OC(=O)CCC1NC(=O)C(CSSCC2NC(=O)C(C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC(C)C)CSSCC(NC(=O)CNC(=O)C(NC2=O)C(O)C)C(=O)NC(C(=O)O)CC(C)C)C(C)C)CC(=O)N)C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)N)N)CC(=O)O)CCC(=O)O" . "OC(=O)CC[C@@H]1NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(C)C)CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)[C@H](O)C)C(=O)N[C@H](C(=O)O)CC(C)C)C(C)C)CC(=O)N)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)N)CC(=O)O)CCC(=O)O" . "NSPHQWLKCGGCQR-DLJDZFDSSA-N" . "InChI=1S/C65H104N18O26S4/c1-25(2)15-34-55(98)80-41-24-113-110-21-38(58(101)77-37(65(108)109)16-26(3)4)71-44(87)20-69-62(105)50(30(10)84)83-61(104)40(78-51(94)29(9)70-63(106)48(27(5)6)81-57(100)35(18-43(68)86)76-64(107)49(28(7)8)82-60(41)103)23-112-111-22-39(59(102)73-32(53(96)75-34)11-13-45(88)89)79-54(97)33(12-14-46(90)91)72-56(99)36(19-47(92)93)74-52(95)31(66)17-42(67)85/h25-41,48-50,84H,11-24,66H2,1-10H3,(H2,67,85)(H2,68,86)(H,69,105)(H,70,106)(H,71,87)(H,72,99)(H,73,102)(H,74,95)(H,75,96)(H,76,107)(H,77,101)(H,78,94)(H,79,97)(H,80,98)(H,81,100)(H,82,103)(H,83,104)(H,88,89)(H,90,91)(H,92,93)(H,108,109)/t29-,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,48-,49-,50-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC1CSSCC(NC(=O)CNC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CO)NC(=O)C(CCSC)NC(=O)C(CO)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC1=O)Cc1ccccc1)CC(C)C)CCCCN)CC(C)C)CC(=O)O)CCCNC(=N)N)C(CC)C)C(=O)O)CCCCN)CO)CC(C)C)CCCCN)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1CCCN1)CCC(=O)N)CCC(=O)O)Cc1[nH]cnc1)CC(=O)N)C)CCCNC(=N)N)CCCCN)Cc1ccc(cc1)O)CCCCN)C)CC(=O)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC1=O)Cc1ccccc1)CC(C)C)CCCCN)CC(C)C)CC(=O)O)CCCNC(=N)N)[C@H](CC)C)C(=O)O)CCCCN)CO)CC(C)C)CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1)CCC(=O)N)CCC(=O)O)Cc1[nH]cnc1)CC(=O)N)C)CCCNC(=N)N)CCCCN)Cc1ccc(cc1)O)CCCCN)C)CC(=O)N" . "IGYWDDBBJPSOTG-WBAGYEQSSA-N" . "InChI=1S/C176H290N56O51S3/c1-14-95(10)143-172(280)201-84-138(245)209-125(86-234)168(276)221-113(54-65-284-13)159(267)229-124(85-233)152(260)200-81-135(242)206-114(66-91(2)3)150(258)198-83-140(247)211-128(174(282)283)89-286-285-88-127(170(278)224-118(70-98-34-16-15-17-35-98)151(259)199-80-137(244)207-115(67-92(4)5)162(270)217-108(41-23-29-60-182)155(263)223-117(69-94(8)9)164(272)226-122(75-142(250)251)167(275)219-110(160(268)231-143)44-32-63-193-176(188)189)210-139(246)82-197-149(257)105(38-20-26-57-179)215-169(277)126(87-235)230-163(271)116(68-93(6)7)208-136(243)79-196-147(255)103(36-18-24-55-177)213-153(261)106(39-21-27-58-180)218-166(274)121(74-132(185)239)222-144(252)96(11)203-133(240)77-195-148(256)104(37-19-25-56-178)214-165(273)119(71-99-46-48-101(236)49-47-99)225-156(264)107(40-22-28-59-181)216-154(262)109(43-31-62-192-175(186)187)212-145(253)97(12)204-161(269)120(73-131(184)238)227-171(279)129-45-33-64-232(129)173(281)123(72-100-76-190-90-202-100)228-158(266)112(51-53-141(248)249)220-157(265)111(50-52-130(183)237)205-134(241)78-194-146(254)102-42-30-61-191-102/h15-17,34-35,46-49,76,90-97,102-129,143,191,233-236H,14,18-33,36-45,50-75,77-89,177-182H2,1-13H3,(H2,183,237)(H2,184,238)(H2,185,239)(H,190,202)(H,194,254)(H,195,256)(H,196,255)(H,197,257)(H,198,258)(H,199,259)(H,200,260)(H,201,280)(H,203,240)(H,204,269)(H,205,241)(H,206,242)(H,207,244)(H,208,243)(H,209,245)(H,210,246)(H,211,247)(H,212,253)(H,213,261)(H,214,273)(H,215,277)(H,216,262)(H,217,270)(H,218,274)(H,219,275)(H,220,265)(H,221,276)(H,222,252)(H,223,263)(H,224,278)(H,225,264)(H,226,272)(H,227,279)(H,228,266)(H,229,267)(H,230,271)(H,231,268)(H,248,249)(H,250,251)(H,282,283)(H4,186,187,192)(H4,188,189,193)/t95-,96-,97-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,143-/m0/s1" . "O=C(Nc1ccc(nn1)CCCCc1nnc(s1)NC(=O)Cc1ccccn1)Cc1cccc(c1)OC(F)(F)F" . "O=C(Nc1ccc(nn1)CCCCc1nnc(s1)NC(=O)Cc1ccccn1)Cc1cccc(c1)OC(F)(F)F" . "PRAAPINBUWJLGA-UHFFFAOYSA-N" . "InChI=1S/C26H24F3N7O3S/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38)" . "OC(=O)C1NCC2C1C(=NO2)O" . "OC(=O)[C@H]1NC[C@H]2[C@@H]1C(=NO2)O" . "XJSXFNHFIBCTDU-HZLVTQRSSA-N" . "InChI=1S/C6H8N2O4/c9-5-3-2(12-8-5)1-7-4(3)6(10)11/h2-4,7H,1H2,(H,8,9)(H,10,11)/t2-,3-,4-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C)CO)C(O)C)CO)C)CC(=O)O)CCCN=C(N)N)CC(=O)O)CCCN=C(N)N)CC(C)C)CO)CS)CC(C)C)CO)CCSC)CO)C(CC)C)CCCN=C(N)N)CC(=O)O)CC(C)C)NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CN)CC(C)C)CO)CCCCN)CS)Cc1ccccc1)CC(C)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O" . "YZEJNKFJIYNYMP-MGAVOHMASA-N" . "InChI=1S/C158H264N48O51S3/c1-17-82(12)123(201-132(233)90(37-26-47-169-157(164)165)187-138(239)100(61-121(222)223)193-137(238)97(58-81(10)11)190-129(230)88(35-22-24-45-160)185-134(235)95(56-79(6)7)180-116(216)64-173-127(228)98(59-86-32-19-18-20-33-86)192-144(245)108(75-258)182-118(218)66-171-125(226)87(34-21-23-44-159)184-141(242)105(72-210)197-135(236)94(55-78(4)5)178-114(214)63-161)149(250)175-68-117(217)181-103(70-208)140(241)188-91(43-53-260-16)131(232)196-102(69-207)128(229)174-65-115(215)179-93(54-77(2)3)126(227)172-67-119(219)183-109(76-259)154(255)206-52-31-42-113(206)148(249)198-106(73-211)142(243)191-96(57-80(8)9)136(237)186-89(36-25-46-168-156(162)163)130(231)195-101(62-122(224)225)153(254)205-51-30-40-111(205)145(246)189-92(38-27-48-170-158(166)167)152(253)204-50-29-41-112(204)146(247)194-99(60-120(220)221)133(234)176-83(13)151(252)203-49-28-39-110(203)147(248)199-107(74-212)143(244)202-124(85(15)213)150(251)200-104(71-209)139(240)177-84(14)155(256)257/h18-20,32-33,77-85,87-113,123-124,207-213,258-259H,17,21-31,34-76,159-161H2,1-16H3,(H,171,226)(H,172,227)(H,173,228)(H,174,229)(H,175,250)(H,176,234)(H,177,240)(H,178,214)(H,179,215)(H,180,216)(H,181,217)(H,182,218)(H,183,219)(H,184,242)(H,185,235)(H,186,237)(H,187,239)(H,188,241)(H,189,246)(H,190,230)(H,191,243)(H,192,245)(H,193,238)(H,194,247)(H,195,231)(H,196,232)(H,197,236)(H,198,249)(H,199,248)(H,200,251)(H,201,233)(H,202,244)(H,220,221)(H,222,223)(H,224,225)(H,256,257)(H4,162,163,168)(H4,164,165,169)(H4,166,167,170)/t82-,83-,84-,85+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,123-,124-/m0/s1" . "CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CC" . "CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CC" . "JOATXPAWOHTVSZ-UHFFFAOYSA-N" . "InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)" . "CSc1ccc(cc1)C(=O)c1[nH]c(=O)[nH]c1C" . "CSc1ccc(cc1)C(=O)c1[nH]c(=O)[nH]c1C" . "ZJKNESGOIKRXQY-UHFFFAOYSA-N" . "InChI=1S/C12H12N2O2S/c1-7-10(14-12(16)13-7)11(15)8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H2,13,14,16)" . "COCC(Cn1c(=O)cnn(c1=O)c1ccc(c(c1)C(=O)NCC1(O)CCCCCC1)Cl)O" . "COC[C@@H](Cn1c(=O)cnn(c1=O)c1ccc(c(c1)C(=O)NCC1(O)CCCCCC1)Cl)O" . "FUCKCIVGBCBZNP-MRXNPFEDSA-N" . "InChI=1S/C22H29ClN4O6/c1-33-13-16(28)12-26-19(29)11-25-27(21(26)31)15-6-7-18(23)17(10-15)20(30)24-14-22(32)8-4-2-3-5-9-22/h6-7,10-11,16,28,32H,2-5,8-9,12-14H2,1H3,(H,24,30)/t16-/m1/s1" . "N#Cc1ccc(cc1Cl)N1N=C2C(C1C1CCCC1)CCc1c2ccc(c1)C(=O)O" . "N#Cc1ccc(cc1Cl)N1N=C2[C@@H]([C@@H]1C1CCCC1)CCc1c2ccc(c1)C(=O)O" . "XNULRSOGWPFPBL-REWPJTCUSA-N" . "InChI=1S/C24H22ClN3O2/c25-21-12-18(8-5-17(21)13-26)28-23(14-3-1-2-4-14)20-10-6-15-11-16(24(29)30)7-9-19(15)22(20)27-28/h5,7-9,11-12,14,20,23H,1-4,6,10H2,(H,29,30)/t20-,23-/m0/s1" . "Cc1ncnc(c1)c1ccc2c(c1)CCC2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C" . "Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C" . "ZIUDADZJCKGWKR-AREMUKBSSA-N" . "InChI=1S/C29H32N6OS/c1-19-11-25(31-18-30-19)22-3-5-24-21(12-22)4-6-26(24)35-16-29(17-35)7-9-33(10-8-29)27(36)13-23-15-34-14-20(2)37-28(34)32-23/h3,5,11-12,14-15,18,26H,4,6-10,13,16-17H2,1-2H3/t26-/m1/s1" . "OC1(CCOCC1)CN1CCC(CC1)COc1noc2c1c(ccc2)OC1COCC1" . "OC1(CCOCC1)CN1CCC(CC1)COc1noc2c1c(ccc2)O[C@H]1COCC1" . "WLLOFQROROXOMO-GOSISDBHSA-N" . "InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1" . "CCNC(=O)C1CC(C1)(F)c1ccc(c(c1)F)CN1CCCC1" . "CCNC(=O)C1CC(C1)(F)c1ccc(c(c1)F)CN1CCCC1" . "SXMBKHYDZOCBMT-UHFFFAOYSA-N" . "InChI=1S/C18H24F2N2O/c1-2-21-17(23)14-10-18(20,11-14)15-6-5-13(16(19)9-15)12-22-7-3-4-8-22/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,21,23)" . "Clc1ccc(c(c1)Cl)C(=Cn1cncn1)Cl" . "Clc1ccc(c(c1)Cl)/C(=C/n1cncn1)/Cl" . "XGLHZTBDUXXHOM-WMZJFQQLSA-N" . "InChI=1S/C10H6Cl3N3/c11-7-1-2-8(9(12)3-7)10(13)4-16-6-14-5-15-16/h1-6H/b10-4-" . "CN1CC2C(C1)C2CN(C(=O)c1ncn(c1)C)Cc1ccc(c(c1)Cl)F" . "CN1C[C@@H]2[C@H](C1)C2CN(C(=O)c1ncn(c1)C)Cc1ccc(c(c1)Cl)F" . "KYLOBHXXQOZRKK-YIONKMFJSA-N" . "InChI=1S/C19H22ClFN4O/c1-23-7-13-14(8-23)15(13)9-25(19(26)18-10-24(2)11-22-18)6-12-3-4-17(21)16(20)5-12/h3-5,10-11,13-15H,6-9H2,1-2H3/t13-,14+,15?" . "FC(c1ccc2c(c1)C1CNCC2C1)(F)F" . "FC(c1ccc2c(c1)[C@H]1CNC[C@@H]2C1)(F)F" . "RNOBTWYQAWEZHH-JGVFFNPUSA-N" . "InChI=1S/C12H12F3N/c13-12(14,15)9-1-2-10-7-3-8(6-16-5-7)11(10)4-9/h1-2,4,7-8,16H,3,5-6H2/t7-,8+/m0/s1" . "CC(N(C(=O)CN1c2ccccc2n2c(C(C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C" . "CC(N(C(=O)CN1c2ccccc2n2c([C@@H](C1=O)Cc1c[nH]c3c1cccc3)nnc2c1ccccc1)Cc1ccccc1)C" . "UBNMGTSDHSQBEL-PMERELPUSA-N" . "InChI=1S/C37H34N6O2/c1-25(2)41(23-26-13-5-3-6-14-26)34(44)24-42-32-19-11-12-20-33(32)43-35(27-15-7-4-8-16-27)39-40-36(43)30(37(42)45)21-28-22-38-31-18-10-9-17-29(28)31/h3-20,22,25,30,38H,21,23-24H2,1-2H3/t30-/m0/s1" . "Cn1nccc1c1ccc(cc1)Sc1cccc(c1)C1(CCOCC1)C(=O)N" . "Cn1nccc1c1ccc(cc1)Sc1cccc(c1)C1(CCOCC1)C(=O)N" . "DVNQWYLVSNPCJZ-UHFFFAOYSA-N" . "InChI=1S/C22H23N3O2S/c1-25-20(9-12-24-25)16-5-7-18(8-6-16)28-19-4-2-3-17(15-19)22(21(23)26)10-13-27-14-11-22/h2-9,12,15H,10-11,13-14H2,1H3,(H2,23,26)" . "Oc1cccc(c1)NC1=CC=NC2C1C1C=CC=CC1N2" . "Oc1cccc(c1)NC1=CC=NC2C1C1C=CC=CC1N2" . "YLLRPQWLASQXSI-UHFFFAOYSA-N" . "InChI=1S/C17H17N3O/c21-12-5-3-4-11(10-12)19-15-8-9-18-17-16(15)13-6-1-2-7-14(13)20-17/h1-10,13-14,16-17,19-21H" . "Clc1ccc(cc1)Oc1cccc(c1)CN1CCN(CC1)C(=O)Nc1cccnc1" . "Clc1ccc(cc1)Oc1cccc(c1)CN1CCN(CC1)C(=O)Nc1cccnc1" . "CTYVKSQPMCSUOR-UHFFFAOYSA-N" . "InChI=1S/C23H23ClN4O2/c24-19-6-8-21(9-7-19)30-22-5-1-3-18(15-22)17-27-11-13-28(14-12-27)23(29)26-20-4-2-10-25-16-20/h1-10,15-16H,11-14,17H2,(H,26,29)" . "OCC1OC(Oc2ccc(cc2c2cccc(c2)CC(=O)O)CCCCCCc2ccc(c(c2)c2cccc(c2)CC(=O)O)OC2OC(CO)C(C(C2O)O)O)C(C(C1O)O)O" . "OC[C@H]1O[C@H](Oc2ccc(cc2c2cccc(c2)CC(=O)O)CCCCCCc2ccc(c(c2)c2cccc(c2)CC(=O)O)O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@@H]2O)O)O)[C@H]([C@H]([C@@H]1O)O)O" . "RYWCQJDEHXJHRI-XJMXIVSISA-N" . "InChI=1S/C46H54O16/c47-23-35-39(53)41(55)43(57)45(61-35)59-33-15-13-25(19-31(33)29-11-5-9-27(17-29)21-37(49)50)7-3-1-2-4-8-26-14-16-34(60-46-44(58)42(56)40(54)36(24-48)62-46)32(20-26)30-12-6-10-28(18-30)22-38(51)52/h5-6,9-20,35-36,39-48,53-58H,1-4,7-8,21-24H2,(H,49,50)(H,51,52)/t35-,36-,39-,40-,41+,42+,43+,44+,45+,46+/m1/s1" . "COC1COCCC1NC1CCC(C1)(C(C)C)C(=O)N1CCc2c(C1)cc(cn2)C(F)(F)F" . "CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2c(C1)cc(cn2)C(F)(F)F" . "MTMDXAIUENDNDL-RJSMDTJLSA-N" . "InChI=1S/C24H34F3N3O3/c1-15(2)23(7-4-18(11-23)29-20-6-9-33-14-21(20)32-3)22(31)30-8-5-19-16(13-30)10-17(12-28-19)24(25,26)27/h10,12,15,18,20-21,29H,4-9,11,13-14H2,1-3H3/t18-,20+,21-,23+/m1/s1" . "Clc1ccc(c(c1)C(=O)c1cc[n+](cc1)[O-])NS(=O)(=O)c1ccc(cc1)C(C)(C)C" . "Clc1ccc(c(c1)C(=O)c1cc[n+](cc1)[O-])NS(=O)(=O)c1ccc(cc1)C(C)(C)C" . "JRWROCIMSDXGOZ-UHFFFAOYSA-N" . "InChI=1S/C22H21ClN2O4S/c1-22(2,3)16-4-7-18(8-5-16)30(28,29)24-20-9-6-17(23)14-19(20)21(26)15-10-12-25(27)13-11-15/h4-14,24H,1-3H3" . "COc1ccc(cn1)C1(O)CCC(CC1)N1CCC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F" . "COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F" . "NXZNYBUBXWWKCP-JMOWIOHXSA-N" . "InChI=1S/C26H31F3N4O4/c1-37-23-6-5-19(14-30-23)25(36)10-7-21(8-11-25)33-12-9-20(16-33)32-22(34)15-31-24(35)17-3-2-4-18(13-17)26(27,28)29/h2-6,13-14,20-21,36H,7-12,15-16H2,1H3,(H,31,35)(H,32,34)/t20-,21?,25?/m1/s1" . "NCCCCC(C(=O)N1CCC(CC1)(N)C(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)N)Cc1ccccc1)CC(C)C" . "NCCCC[C@H](C(=O)N1CCC(CC1)(N)C(=O)O)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)N)Cc1ccccc1)CC(C)C" . "FWMNVWWHGCHHJJ-SKKKGAJSSA-N" . "InChI=1S/C36H53N7O6/c1-24(2)21-29(32(45)40-28(15-9-10-18-37)34(47)43-19-16-36(39,17-20-43)35(48)49)42-33(46)30(23-26-13-7-4-8-14-26)41-31(44)27(38)22-25-11-5-3-6-12-25/h3-8,11-14,24,27-30H,9-10,15-23,37-39H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)(H,48,49)/t27-,28-,29-,30-/m1/s1" . "CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C21CCC2)c1cnc(c(c1)C(F)(F)F)C#N" . "CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C21CCC2)c1cnc(c(c1)C(F)(F)F)C#N" . "HJBWBFZLDZWPHF-UHFFFAOYSA-N" . "InChI=1S/C21H15F4N5O2S/c1-27-17(31)13-4-3-11(8-15(13)22)30-19(33)29(18(32)20(30)5-2-6-20)12-7-14(21(23,24)25)16(9-26)28-10-12/h3-4,7-8,10H,2,5-6H2,1H3,(H,27,31)" . "OC(=O)Cc1ccc(cc1)N1CCC(C1)NC(c1cccc2c1cccc2)C" . "OC(=O)Cc1ccc(cc1)N1CC[C@@H](C1)N[C@@H](c1cccc2c1cccc2)C" . "RZNUIYPHQFXBAN-XLIONFOSSA-N" . "InChI=1S/C24H26N2O2/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28/h2-12,17,20,25H,13-16H2,1H3,(H,27,28)/t17-,20+/m1/s1" . "CCCC1CN(C(=O)C1)C(C(=O)N)CC" . "CCC[C@H]1CN(C(=O)C1)[C@H](C(=O)N)CC" . "MSYKRHVOOPPJKU-BDAKNGLRSA-N" . "InChI=1S/C11H20N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)/t8-,9+/m1/s1" . "O=C(c1cc(c(cc1F)C)n1cnc(c1)C1CC1)Nc1cccc(n1)c1nncn1C(C)C" . "O=C(c1cc(c(cc1F)C)n1cnc(c1)C1CC1)Nc1cccc(n1)c1nncn1C(C)C" . "YIDDLAAKOYYGJG-UHFFFAOYSA-N" . "InChI=1S/C24H24FN7O/c1-14(2)32-13-27-30-23(32)19-5-4-6-22(28-19)29-24(33)17-10-21(15(3)9-18(17)25)31-11-20(26-12-31)16-7-8-16/h4-6,9-14,16H,7-8H2,1-3H3,(H,28,29,33)" . "COc1cc(OC)cc(c1)N(c1ccc2c(c1)nc(cn2)c1cnn(c1)C)CCNC(C)C" . "COc1cc(OC)cc(c1)N(c1ccc2c(c1)nc(cn2)c1cnn(c1)C)CCNC(C)C" . "OLAHOMJCDNXHFI-UHFFFAOYSA-N" . "InChI=1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3" . "O=C1C(N)Cc2c(N1O)cccc2" . "O=C1[C@@H](N)Cc2c(N1O)cccc2" . "HYTRYTZFJVVZAF-ZETCQYMHSA-N" . "InChI=1S/C9H10N2O2/c10-7-5-6-3-1-2-4-8(6)11(13)9(7)12/h1-4,7,13H,5,10H2/t7-/m0/s1" . "CC(CC(C(=O)NCC(=O)N1CCC(CC1)c1cc(nn1C)c1ccc(c(c1Cl)Cl)OCc1ccc(o1)C(=O)O)N=C(N)N)C" . "CC(C[C@H](C(=O)NCC(=O)N1CCC(CC1)c1cc(nn1C)c1ccc(c(c1Cl)Cl)OCc1ccc(o1)C(=O)O)N=C(N)N)C" . "VNZHOIDQBPFEJU-OAQYLSRUSA-N" . "InChI=1S/C30H37Cl2N7O6/c1-16(2)12-21(36-30(33)34)28(41)35-14-25(40)39-10-8-17(9-11-39)22-13-20(37-38(22)3)19-5-7-23(27(32)26(19)31)44-15-18-4-6-24(45-18)29(42)43/h4-7,13,16-17,21H,8-12,14-15H2,1-3H3,(H,35,41)(H,42,43)(H4,33,34,36)/t21-/m1/s1" . "CCOC(=O)C1=CCCCC1S(=O)(=O)Nc1ccc(cc1Cl)F" . "CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(cc1Cl)F" . "LEEIJTHMHDMWLJ-CQSZACIVSA-N" . "InChI=1S/C15H17ClFNO4S/c1-2-22-15(19)11-5-3-4-6-14(11)23(20,21)18-13-8-7-10(17)9-12(13)16/h5,7-9,14,18H,2-4,6H2,1H3/t14-/m1/s1" . "CCOC1OC(=O)CC1NC(=O)C1CCCN1C(=O)C(C(C)(C)C)NC(=O)c1ccc(c(c1)Cl)N" . "CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)(C)C)NC(=O)c1ccc(c(c1)Cl)N" . "SJDDOCKBXFJEJB-MOKWFATOSA-N" . "InChI=1S/C24H33ClN4O6/c1-5-34-23-16(12-18(30)35-23)27-21(32)17-7-6-10-29(17)22(33)19(24(2,3)4)28-20(31)13-8-9-15(26)14(25)11-13/h8-9,11,16-17,19,23H,5-7,10,12,26H2,1-4H3,(H,27,32)(H,28,31)/t16-,17-,19+,23+/m0/s1" . "O=CC(NC(=O)C1CCCN1C(=O)C(C(C)(C)C)NC(=O)c1ccc(c(c1)Cl)N)CC(=O)O" . "O=C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)(C)C)NC(=O)c1ccc(c(c1)Cl)N)CC(=O)O" . "SOZONDBMOYWSRW-QANKJYHBSA-N" . "InChI=1S/C22H29ClN4O6/c1-22(2,3)18(26-19(31)12-6-7-15(24)14(23)9-12)21(33)27-8-4-5-16(27)20(32)25-13(11-28)10-17(29)30/h6-7,9,11,13,16,18H,4-5,8,10,24H2,1-3H3,(H,25,32)(H,26,31)(H,29,30)/t13-,16-,18+/m0/s1" . "CCOP(=O)(Cc1ccc(cc1)NC(=O)CNC(=O)C1OC(C(C1O)O)n1ccc(=O)[nH]c1=O)OCC" . "CCOP(=O)(Cc1ccc(cc1)NC(=O)CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(=O)[nH]c1=O)OCC" . "AEVBPXDFDKBGLT-YOUFYPILSA-N" . "InChI=1S/C22H29N4O10P/c1-3-34-37(33,35-4-2)12-13-5-7-14(8-6-13)24-16(28)11-23-20(31)19-17(29)18(30)21(36-19)26-10-9-15(27)25-22(26)32/h5-10,17-19,21,29-30H,3-4,11-12H2,1-2H3,(H,23,31)(H,24,28)(H,25,27,32)/t17-,18+,19-,21+/m0/s1" . "O=C(N1CCC(C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F" . "O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F" . "ZNSVOHSYDRPBGI-CBQRAPNFSA-N" . "InChI=1S/C29H31F3N6O3/c30-29(31,32)21-4-1-3-19(15-21)27(40)36-17-25(39)38-14-9-23(18-38)37-22-7-10-28(41,11-8-22)24-6-5-20(16-35-24)26-33-12-2-13-34-26/h1-6,12-13,15-16,22-23,37,41H,7-11,14,17-18H2,(H,36,40)/t22?,23-,28?/m0/s1" . "COc1ccc(cc1)CC(C(=O)NC(C(=O)C1(C)CO1)Cc1ccccc1)NC(=O)C(NC(=O)CN1CCOCC1)C" . "COc1ccc(cc1)C[C@@H](C(=O)N[C@H](C(=O)[C@@]1(C)CO1)Cc1ccccc1)NC(=O)[C@@H](NC(=O)CN1CCOCC1)C" . "WQAVPPWWLLVGFK-VTNASVEKSA-N" . "InChI=1S/C31H40N4O7/c1-21(32-27(36)19-35-13-15-41-16-14-35)29(38)34-26(18-23-9-11-24(40-3)12-10-23)30(39)33-25(28(37)31(2)20-42-31)17-22-7-5-4-6-8-22/h4-12,21,25-26H,13-20H2,1-3H3,(H,32,36)(H,33,39)(H,34,38)/t21-,25-,26-,31+/m0/s1" . "CCN(c1ncnc2c1ncn2C1OC(C(C1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Br)Br)O)O)CC" . "CCN(c1ncnc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Br)Br)O)O)CC" . "ILXFKEOLRYLPJG-IDTAVKCVSA-N" . "InChI=1S/C15H24Br2N5O12P3/c1-3-21(4-2)12-9-13(19-6-18-12)22(7-20-9)14-11(24)10(23)8(33-14)5-32-37(30,31)34-36(28,29)15(16,17)35(25,26)27/h6-8,10-11,14,23-24H,3-5H2,1-2H3,(H,28,29)(H,30,31)(H2,25,26,27)/t8-,10-,11-,14-/m1/s1" . "ClCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)Cl" . "ClCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)Cl" . "QLIIKPVHVRXHRI-CXSFZGCWSA-N" . "InChI=1S/C22H28Cl2O4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1" . "CC(=C)C1CCC2(C1C1CCC3C(C1(C)CC2)(C)CCC1C3(C)CCC(C1(C)C)O)C" . "CC(=C)C1CCC2([C@H]1C1CCC3C([C@]1(C)CC2)(C)CC[C@@H]1C3(C)CCC(C1(C)C)O)C" . "MQYXUWHLBZFQQO-HQBMYVNCSA-N" . "InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20?,21?,22-,23?,24?,25+,27?,28?,29+,30?/m0/s1" . "COc1ccc(cc1)C(=O)C=Cc1cccc(c1OC)OC" . "COc1ccc(cc1)C(=O)/C=C/c1cccc(c1OC)OC" . "IECVLMVZGCYCSZ-FMIVXFBMSA-N" . "InChI=1S/C18H18O4/c1-20-15-10-7-13(8-11-15)16(19)12-9-14-5-4-6-17(21-2)18(14)22-3/h4-12H,1-3H3/b12-9+" . "CCCN(C(=O)C1=Cc2ccc(cc2N=C(C1)N)c1ccc(cc1)C(=O)N1CCCC1)CCC" . "CCCN(C(=O)C1=Cc2ccc(cc2N=C(C1)N)c1ccc(cc1)C(=O)N1CCCC1)CCC" . "QSPOQCXMGPDIHI-UHFFFAOYSA-N" . "InChI=1S/C28H34N4O2/c1-3-13-31(14-4-2)28(34)24-17-23-12-11-22(18-25(23)30-26(29)19-24)20-7-9-21(10-8-20)27(33)32-15-5-6-16-32/h7-12,17-18H,3-6,13-16,19H2,1-2H3,(H2,29,30)" . "CCc1nc2c(n1CCCCNS(=O)(=O)C)c1ccccc1nc2N" . "CCc1nc2c(n1CCCCNS(=O)(=O)C)c1ccccc1nc2N" . "YZOQZEXYFLXNKA-UHFFFAOYSA-N" . "InChI=1S/C17H23N5O2S/c1-3-14-21-15-16(12-8-4-5-9-13(12)20-17(15)18)22(14)11-7-6-10-19-25(2,23)24/h4-5,8-9,19H,3,6-7,10-11H2,1-2H3,(H2,18,20)" . "CCCCCCCCCCCC(CC(=O)NC1C(OC(C(C1O)O)COC1OC(CO)C(C(C1NC(=O)CC(OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)O)OP(=O)(O)O)OP(=O)(O)O)O" . "CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C[C@@H](OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)O)OP(=O)(O)O)OP(=O)(O)O)O" . "GOWLTLODGKPXMN-MEKRSRHXSA-N" . "InChI=1S/C52H100N2O20P2/c1-4-7-10-13-16-19-22-25-28-31-38(56)34-42(57)53-45-48(61)47(60)41(72-52(45)74-76(66,67)68)37-69-51-46(49(62)50(40(36-55)71-51)73-75(63,64)65)54-43(58)35-39(32-29-26-23-20-17-14-11-8-5-2)70-44(59)33-30-27-24-21-18-15-12-9-6-3/h38-41,45-52,55-56,60-62H,4-37H2,1-3H3,(H,53,57)(H,54,58)(H2,63,64,65)(H2,66,67,68)/t38-,39+,40-,41-,45-,46-,47-,48-,49-,50-,51-,52-/m1/s1" . "Clc1cc2c(nnc(c2cc1Cl)NC1CCCC1)c1ccncc1" . "Clc1cc2c(nnc(c2cc1Cl)NC1CCCC1)c1ccncc1" . "ABGOSOMRWSYAOB-UHFFFAOYSA-N" . "InChI=1S/C18H16Cl2N4/c19-15-9-13-14(10-16(15)20)18(22-12-3-1-2-4-12)24-23-17(13)11-5-7-21-8-6-11/h5-10,12H,1-4H2,(H,22,24)" . "O=C1c2ccccc2C(=O)c2c1c(N)c(cc2Nc1ccc2c(c1)cc1c(c2)cccc1)S(=O)(=O)[O-]" . "O=C1c2ccccc2C(=O)c2c1c(N)c(cc2Nc1ccc2c(c1)cc1c(c2)cccc1)S(=O)(=O)[O-]" . "JXFRJOYKTCEJDG-UHFFFAOYSA-M" . "InChI=1S/C28H18N2O5S/c29-26-23(36(33,34)35)14-22(24-25(26)28(32)21-8-4-3-7-20(21)27(24)31)30-19-10-9-17-11-15-5-1-2-6-16(15)12-18(17)13-19/h1-14,30H,29H2,(H,33,34,35)/p-1" . "O=C(Nc1cc(ccc1C)CN1CCNCC1)CNc1ccc(c(c1)F)F" . "O=C(Nc1cc(ccc1C)CN1CCNCC1)CNc1ccc(c(c1)F)F" . "GRUWKTIRBBPZSD-UHFFFAOYSA-N" . "InChI=1S/C20H24F2N4O/c1-14-2-3-15(13-26-8-6-23-7-9-26)10-19(14)25-20(27)12-24-16-4-5-17(21)18(22)11-16/h2-5,10-11,23-24H,6-9,12-13H2,1H3,(H,25,27)" . "OCCNCCNc1ccc2c(n1)cccc2NC(=O)CC12CC3CC(C2)CC(C1)C3" . "OCCNCCNc1ccc2c(n1)cccc2NC(=O)CC12CC3CC(C2)CC(C1)C3" . "FQMZXMVHHKXGTM-UHFFFAOYSA-N" . "InChI=1S/C25H34N4O2/c30-9-8-26-6-7-27-23-5-4-20-21(28-23)2-1-3-22(20)29-24(31)16-25-13-17-10-18(14-25)12-19(11-17)15-25/h1-5,17-19,26,30H,6-16H2,(H,27,28)(H,29,31)" . "O=C(c1ccccc1O)OCc1no[n+](c1C(=O)N)[O-]" . "O=C(c1ccccc1O)OCc1no[n+](c1C(=O)N)[O-]" . "YWHHKFGUOITYRD-UHFFFAOYSA-N" . "InChI=1S/C11H9N3O6/c12-10(16)9-7(13-20-14(9)18)5-19-11(17)6-3-1-2-4-8(6)15/h1-4,15H,5H2,(H2,12,16)" . "OC(C1CCCCC1)CC1c2ccccc2c2n1cnc2" . "OC(C1CCCCC1)CC1c2ccccc2c2n1cnc2" . "YTRRAUACYORZLX-UHFFFAOYSA-N" . "InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2" . "[O-][N+](=O)OCc1cccc(c1)OC(=O)c1ccccc1OC(=O)C" . "[O-][N+](=O)OCc1cccc(c1)OC(=O)c1ccccc1OC(=O)C" . "IOJUJUOXKXMJNF-UHFFFAOYSA-N" . "InChI=1S/C16H13NO7/c1-11(18)23-15-8-3-2-7-14(15)16(19)24-13-6-4-5-12(9-13)10-22-17(20)21/h2-9H,10H2,1H3" . "Fc1ccc2c(c1)[nH]cc2C=Cc1nnn[nH]1" . "Fc1ccc2c(c1)[nH]cc2/C=C/c1nnn[nH]1" . "JDBSZVDIUIRSDG-DAFODLJHSA-N" . "InChI=1S/C11H8FN5/c12-8-2-3-9-7(6-13-10(9)5-8)1-4-11-14-16-17-15-11/h1-6,13H,(H,14,15,16,17)/b4-1+" . "CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccc(cc1)[N+](=O)[O-]" . "CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccc(cc1)[N+](=O)[O-]" . "VABCILAOYCMVPS-UHFFFAOYSA-N" . "InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3" . "OCC1COC(CO1)Cn1nnc(n1)c1nc(C)nc(c1)C(=O)NCc1ccc(c(c1)OC)F" . "OC[C@@H]1CO[C@H](CO1)Cn1nnc(n1)c1nc(C)nc(c1)C(=O)NCc1ccc(c(c1)OC)F" . "SKEAGJWUKCNICJ-LSDHHAIUSA-N" . "InChI=1S/C21H24FN7O5/c1-12-24-17(20-26-28-29(27-20)8-14-10-34-15(9-30)11-33-14)6-18(25-12)21(31)23-7-13-3-4-16(22)19(5-13)32-2/h3-6,14-15,30H,7-11H2,1-2H3,(H,23,31)/t14-,15+/m0/s1" . "Clc1ccc(cc1)Oc1oc(=O)n(n1)c1ccc(c(c1)O)O" . "Clc1ccc(cc1)Oc1oc(=O)n(n1)c1ccc(c(c1)O)O" . "NLWUQNVDUOHGIP-UHFFFAOYSA-N" . "InChI=1S/C14H9ClN2O5/c15-8-1-4-10(5-2-8)21-13-16-17(14(20)22-13)9-3-6-11(18)12(19)7-9/h1-7,18-19H" . "O=C(N1CCN(CC1)Cc1ccc2c(c1)OC(O2)(F)F)Nc1cnccc1Cl" . "O=C(N1CCN(CC1)Cc1ccc2c(c1)OC(O2)(F)F)Nc1cnccc1Cl" . "YWGYNGCRVZLMCS-UHFFFAOYSA-N" . "InChI=1S/C18H17ClF2N4O3/c19-13-3-4-22-10-14(13)23-17(26)25-7-5-24(6-8-25)11-12-1-2-15-16(9-12)28-18(20,21)27-15/h1-4,9-10H,5-8,11H2,(H,23,26)" . "COc1ccc(cc1)CC(N(CCCCOC(=O)c1ccc(c(c1)OC)OC)CC)C" . "COc1ccc(cc1)CC(N(CCCCOC(=O)c1ccc(c(c1)OC)OC)CC)C" . "VYVKHNNGDFVQGA-UHFFFAOYSA-N" . "InChI=1S/C25H35NO5/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5/h9-14,18-19H,6-8,15-17H2,1-5H3" . "Brc1ccc(c(c1)c1oc2ccccc2c(=O)c1O)F" . "Brc1ccc(c(c1)c1oc2ccccc2c(=O)c1O)F" . "OGIJEXWCHFAYRS-UHFFFAOYSA-N" . "InChI=1S/C15H8BrFO3/c16-8-5-6-11(17)10(7-8)15-14(19)13(18)9-3-1-2-4-12(9)20-15/h1-7,19H" . "CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CCCCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N)CC(=O)N)CCCNC(=N)N)CCCNC(=N)N)Cc1ccccc1)CC(C)C)Cc1ccccc1)(C)C" . "CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CCCCCC(=O)NC(C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N1CCCC1C(=O)N[C@H](C(=O)NC(C(=O)N)CC(=O)N)CCCNC(=N)N)CCCNC(=N)N)Cc1ccccc1)CC(C)C)Cc1ccccc1)(C)C" . "GDPUTCQTCXMCTL-YPQIROLXSA-N" . "InChI=1S/C87H151N17O10/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-41-57-103(58-42-32-30-28-26-24-22-20-18-16-14-12-10-8-2)59-43-35-40-54-76(106)102-87(5,6)84(114)101-73(63-67-49-38-34-39-50-67)81(111)99-71(61-65(3)4)79(109)100-72(62-66-47-36-33-37-48-66)80(110)97-69(52-45-56-95-86(92)93)83(113)104-60-46-53-74(104)82(112)96-68(51-44-55-94-85(90)91)78(108)98-70(77(89)107)64-75(88)105/h33-34,36-39,47-50,65,68-74H,7-32,35,40-46,51-64H2,1-6H3,(H2,88,105)(H2,89,107)(H,96,112)(H,97,110)(H,98,108)(H,99,111)(H,100,109)(H,101,114)(H,102,106)(H4,90,91,94)(H4,92,93,95)/t68-,69-,70?,71-,72?,73?,74?/m0/s1" . "NC(=O)Nc1cccc(c1)c1ncn(c1)C(=O)N(C1CCCC1)C" . "NC(=O)Nc1cccc(c1)c1ncn(c1)C(=O)N(C1CCCC1)C" . "SXKWDPMBWTZYCA-UHFFFAOYSA-N" . "InChI=1S/C17H21N5O2/c1-21(14-7-2-3-8-14)17(24)22-10-15(19-11-22)12-5-4-6-13(9-12)20-16(18)23/h4-6,9-11,14H,2-3,7-8H2,1H3,(H3,18,20,23)" . "OC(C(Cl)(Cl)Cl)Cc1ccncc1" . "OC(C(Cl)(Cl)Cl)Cc1ccncc1" . "NGTDJJKTGRNNAU-UHFFFAOYSA-N" . "InChI=1S/C8H8Cl3NO/c9-8(10,11)7(13)5-6-1-3-12-4-2-6/h1-4,7,13H,5H2" . "NC(=N)NCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)Cc1cccs1)Cc1ccc(cc1)F" . "NC(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)Cc1cccs1)Cc1ccc(cc1)F" . "TZCCKCLHNUSAMQ-DUGSHLAESA-N" . "InChI=1S/C47H62FN15O8S/c48-28-15-13-26(14-16-28)21-35(62-43(69)36(58-39(65)23-29-7-6-20-72-29)22-27-25-57-31-9-2-1-8-30(27)31)42(68)60-33(11-4-18-56-47(53)54)45(71)63-19-5-12-37(63)44(70)59-32(10-3-17-55-46(51)52)41(67)61-34(40(50)66)24-38(49)64/h1-2,6-9,13-16,20,25,32-37,57H,3-5,10-12,17-19,21-24H2,(H2,49,64)(H2,50,66)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,69)(H4,51,52,55)(H4,53,54,56)/t32-,33-,34-,35-,36-,37-/m0/s1" . "OC(=O)CCn1c(=O)oc2c1cc(Cl)c(c2)Cl" . "OC(=O)CCn1c(=O)oc2c1cc(Cl)c(c2)Cl" . "MIGAKMWKMLYGJX-UHFFFAOYSA-N" . "InChI=1S/C10H7Cl2NO4/c11-5-3-7-8(4-6(5)12)17-10(16)13(7)2-1-9(14)15/h3-4H,1-2H2,(H,14,15)" . "Oc1cc(C)c(c(c1)C)CC(C(=O)N1Cc2ccccc2CC1C(=O)NC(c1[nH]c2c(n1)cccc2)CC(=O)O)N" . "Oc1cc(C)c(c(c1)C)C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](c1[nH]c2c(n1)cccc2)CC(=O)O)N" . "USVQTDLSVBRMCR-YGPDHOBYSA-N" . "InChI=1S/C31H33N5O5/c1-17-11-21(37)12-18(2)22(17)14-23(32)31(41)36-16-20-8-4-3-7-19(20)13-27(36)30(40)35-26(15-28(38)39)29-33-24-9-5-6-10-25(24)34-29/h3-12,23,26-27,37H,13-16,32H2,1-2H3,(H,33,34)(H,35,40)(H,38,39)/t23-,26-,27-/m0/s1" . "CCN(C(=O)c1ccc(cc1)C(=C1CCNCC1)c1ccccc1)CC" . "CCN(C(=O)c1ccc(cc1)C(=C1CCNCC1)c1ccccc1)CC" . "SMUGAZNLKPFBSB-UHFFFAOYSA-N" . "InChI=1S/C23H28N2O/c1-3-25(4-2)23(26)21-12-10-19(11-13-21)22(18-8-6-5-7-9-18)20-14-16-24-17-15-20/h5-13,24H,3-4,14-17H2,1-2H3" . "CCN(C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2c1c(O)ccc2)CC" . "CCN(C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2c1c(O)ccc2)CC" . "OPIKUXLJQFYMSC-UHFFFAOYSA-N" . "InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)18-10-8-17(9-11-18)19-16-24(12-14-25-15-13-24)29-21-7-5-6-20(27)22(19)21/h5-11,16,25,27H,3-4,12-15H2,1-2H3" . "CCN(C(=O)c1ccc(c(c1)O)C1=CC2(CCNCC2)Oc2c1cccc2)CC" . "CCN(C(=O)c1ccc(c(c1)O)C1=CC2(CCNCC2)Oc2c1cccc2)CC" . "ALGHKWSXJUQNJJ-UHFFFAOYSA-N" . "InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)17-9-10-18(21(27)15-17)20-16-24(11-13-25-14-12-24)29-22-8-6-5-7-19(20)22/h5-10,15-16,25,27H,3-4,11-14H2,1-2H3" . "C=CCN1CC(C)N(CC1C)C(c1cccc(c1)O)c1ccc(cc1)C(=O)N(CC)CC" . "C=CCN1C[C@H](C)N(C[C@H]1C)[C@@H](c1cccc(c1)O)c1ccc(cc1)C(=O)N(CC)CC" . "LBLDMHBSVIVJPM-YZIHRLCOSA-N" . "InChI=1S/C27H37N3O2/c1-6-16-29-18-21(5)30(19-20(29)4)26(24-10-9-11-25(31)17-24)22-12-14-23(15-13-22)27(32)28(7-2)8-3/h6,9-15,17,20-21,26,31H,1,7-8,16,18-19H2,2-5H3/t20-,21+,26-/m1/s1" . "[O-][n+]1cccc(c1)c1ncn(c1)C(=O)N(C1CCCCC1)C" . "[O-][n+]1cccc(c1)c1ncn(c1)C(=O)N(C1CCCCC1)C" . "DOWVMJFBDGWVML-UHFFFAOYSA-N" . "InChI=1S/C16H20N4O2/c1-18(14-7-3-2-4-8-14)16(21)19-11-15(17-12-19)13-6-5-9-20(22)10-13/h5-6,9-12,14H,2-4,7-8H2,1H3" . "CCCCCCNC(=O)Oc1cccc(c1)c1ccc(cc1F)C(C(=O)O)C" . "CCCCCCNC(=O)Oc1cccc(c1)c1ccc(cc1F)[C@H](C(=O)O)C" . "USQOVYLRWBOSQC-OAHLLOKOSA-N" . "InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)/t15-/m1/s1" . "CCCCCCNC(=O)Oc1cccc(c1)c1ccc(cc1F)C(C(=O)O)C" . "CCCCCCNC(=O)Oc1cccc(c1)c1ccc(cc1F)[C@@H](C(=O)O)C" . "USQOVYLRWBOSQC-HNNXBMFYSA-N" . "InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)/t15-/m0/s1" . "OC(=O)Cc1c(C)n(c2c1cccn2)Cc1ccc(cc1)S(=O)(=O)C" . "OC(=O)Cc1c(C)n(c2c1cccn2)Cc1ccc(cc1)S(=O)(=O)C" . "YOPFAMROKXHVCQ-UHFFFAOYSA-N" . "InChI=1S/C18H18N2O4S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)25(2,23)24/h3-9H,10-11H2,1-2H3,(H,21,22)" . "OC(=O)Cc1c(C)n(c2c1cccn2)Cc1ccc(cc1C(F)(F)F)S(=O)(=O)C" . "OC(=O)Cc1c(C)n(c2c1cccn2)Cc1ccc(cc1C(F)(F)F)S(=O)(=O)C" . "GFPPXZDRVCSVNR-UHFFFAOYSA-N" . "InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)" . "C[n+]1cccc(c1)OC(=O)N(C)C" . "C[n+]1cccc(c1)OC(=O)N(C)C" . "RVOLLAQWKVFTGE-UHFFFAOYSA-N" . "InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1" . "O=C(N(C)C)Oc1cccc(c1)[N+](C)(C)C" . "O=C(N(C)C)Oc1cccc(c1)[N+](C)(C)C" . "ALWKGYPQUAPLQC-UHFFFAOYSA-N" . "InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1" . "O=C(N1CCC(CC1)N1CCC2C(NC1=O)C=CC=C2)CC1SC(N(C1=O)CCC(C)(C)C)c1cccc(c1N1CCN(CC1)C(C)(C)C)F" . "O=C(N1CCC(CC1)N1CCC2C(NC1=O)C=CC=C2)C[C@@H]1S[C@@H](N(C1=O)CCC(C)(C)C)c1cccc(c1N1CCN(CC1)C(C)(C)C)F" . "UUUGXEGGIAPJQE-MYMUVWEJSA-N" . "InChI=1S/C39H57FN6O3S/c1-38(2,3)17-21-46-35(48)32(50-36(46)29-11-9-12-30(40)34(29)43-22-24-44(25-23-43)39(4,5)6)26-33(47)42-18-15-28(16-19-42)45-20-14-27-10-7-8-13-31(27)41-37(45)49/h7-13,27-28,31-32,36H,14-26H2,1-6H3,(H,41,49)/t27?,31?,32-,36+/m0/s1" . "OC1=CC(=c2o[nH]c(n2)c2c(C)c(Cl)c([n+](c2Cl)[O-])C)C=C(C1=O)[N+](=O)[O-]" . "OC1=C/C(=c/2/o[nH]c(n2)c2c(C)c(Cl)c([n+](c2Cl)[O-])C)/C=C(C1=O)[N+](=O)[O-]" . "HVGGGVAREUUJQV-CHHVJCJISA-N" . "InChI=1S/C15H10Cl2N4O6/c1-5-10(13(17)20(24)6(2)11(5)16)14-18-15(27-19-14)7-3-8(21(25)26)12(23)9(22)4-7/h3-4,22H,1-2H3,(H,18,19)/b15-7-" . "CNC1CCN(C1)c1cc(NCC2CC2)nc(n1)N" . "CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(n1)N" . "ISBHYKVAFKTATD-SNVBAGLBSA-N" . "InChI=1S/C13H22N6/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18)/t10-/m1/s1" . "NC1CCN(C1)c1cc(nc(n1)N)C(C)C" . "N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C" . "COOGVHJHSCBOQT-MRVPVSSYSA-N" . "InChI=1S/C11H19N5/c1-7(2)9-5-10(15-11(13)14-9)16-4-3-8(12)6-16/h5,7-8H,3-4,6,12H2,1-2H3,(H2,13,14,15)/t8-/m1/s1" . "CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(n1)N" . "CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(n1)N" . "ICAQZJCLBRKWBG-UHFFFAOYSA-N" . "InChI=1S/C16H20Cl2N6/c1-23-5-7-24(8-6-23)15-9-14(21-16(19)22-15)20-10-11-12(17)3-2-4-13(11)18/h2-4,9H,5-8,10H2,1H3,(H3,19,20,21,22)" . "CN1CCN(CC1)C1=CC(=NC(N1)N)c1ccc2c(c1)CN(CC2)C(=O)CCC1CCCC1" . "CN1CCN(CC1)C1=CC(=NC(N1)N)c1ccc2c(c1)CN(CC2)C(=O)CCC1CCCC1" . "JZAGLPUCLXBELH-UHFFFAOYSA-N" . "InChI=1S/C26H38N6O/c1-30-12-14-31(15-13-30)24-17-23(28-26(27)29-24)21-8-7-20-10-11-32(18-22(20)16-21)25(33)9-6-19-4-2-3-5-19/h7-8,16-17,19,26,29H,2-6,9-15,18,27H2,1H3" . "CN(C1CCC2(C(=CCC3C2CCC24C3CCC4C(N(C2)C)C)C1)C)C" . "CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C" . "GPLGAQQQNWMVMM-MYAJQUOBSA-N" . "InChI=1S/C24H40N2/c1-16-20-8-9-22-19-7-6-17-14-18(25(3)4)10-12-23(17,2)21(19)11-13-24(20,22)15-26(16)5/h6,16,18-22H,7-15H2,1-5H3/t16-,18-,19+,20+,21-,22-,23-,24-/m0/s1" . "CN1CCN(CC1)C(=O)CNC1CC1c1ccc(cc1)OCc1ccccc1" . "CN1CCN(CC1)C(=O)CN[C@@H]1C[C@H]1c1ccc(cc1)OCc1ccccc1" . "YAMSXCOVJUUMCT-FCHUYYIVSA-N" . "InChI=1S/C23H29N3O2/c1-25-11-13-26(14-12-25)23(27)16-24-22-15-21(22)19-7-9-20(10-8-19)28-17-18-5-3-2-4-6-18/h2-10,21-22,24H,11-17H2,1H3/t21-,22+/m0/s1" . "CCOC(=O)CCNc1cc(nc(n1)c1ccccn1)N1CCc2c(CC1)cccc2" . "CCOC(=O)CCNc1cc(nc(n1)c1ccccn1)N1CCc2c(CC1)cccc2" . "WBKCKEHGXNWYMO-UHFFFAOYSA-N" . "InChI=1S/C24H27N5O2/c1-2-31-23(30)10-14-26-21-17-22(28-24(27-21)20-9-5-6-13-25-20)29-15-11-18-7-3-4-8-19(18)12-16-29/h3-9,13,17H,2,10-12,14-16H2,1H3,(H,26,27,28)" . "CCc1ccc(cc1)C(=O)c1cnc2c(c1N1CCC(CC1)C(=O)N)cc1c(c2)OCCO1" . "CCc1ccc(cc1)C(=O)c1cnc2c(c1N1CCC(CC1)C(=O)N)cc1c(c2)OCCO1" . "TZUJFIBUVNERIP-UHFFFAOYSA-N" . "InChI=1S/C26H27N3O4/c1-2-16-3-5-17(6-4-16)25(30)20-15-28-21-14-23-22(32-11-12-33-23)13-19(21)24(20)29-9-7-18(8-10-29)26(27)31/h3-6,13-15,18H,2,7-12H2,1H3,(H2,27,31)" . "Cc1nc(Nc2cnn(c2)C2CCNCC2)nc2c1n(C)c(=O)c1c(n2C)cc2c(c1)cccc2" . "Cc1nc(Nc2cnn(c2)C2CCNCC2)nc2c1n(C)c(=O)c1c(n2C)cc2c(c1)cccc2" . "CHSDJDLAKKAWCI-UHFFFAOYSA-N" . "InChI=1S/C26H28N8O/c1-16-23-24(31-26(29-16)30-19-14-28-34(15-19)20-8-10-27-11-9-20)32(2)22-13-18-7-5-4-6-17(18)12-21(22)25(35)33(23)3/h4-7,12-15,20,27H,8-11H2,1-3H3,(H,29,30,31)" . "COc1ncc(cc1NS(=O)(=O)c1ccc(cc1F)F)c1ccc2c(c1)c(ccn2)c1ccnnc1" . "COc1ncc(cc1NS(=O)(=O)c1ccc(cc1F)F)c1ccc2c(c1)c(ccn2)c1ccnnc1" . "CGBJSGAELGCMKE-UHFFFAOYSA-N" . "InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)CC(=O)O)CC(=O)N)CCCCN)CCCCN)CCCCN)CCC(=O)N)C)CC(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)CC(=O)N)C(C)C)Cc1ccccc1)CC(=O)O)CCC(=O)N)CCC(=O)N)Cc1nc[nH]c1)C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(C(O)C)N)Cc1ccccc1)CO)CC(=O)O)Cc1ccc(cc1)O)CO)C)CCSC)CC(=O)O" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)CC(=O)O)CC(=O)N)CCCCN)CCCCN)CCCCN)CCC(=O)N)C)CC(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)CC(=O)N)C(C)C)Cc1ccccc1)CC(=O)O)CCC(=O)N)CCC(=O)N)Cc1nc[nH]c1)[C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)N)Cc1ccccc1)CO)CC(=O)O)Cc1ccc(cc1)O)CO)C)CCSC)CC(=O)O" . "NEJABMGLOVSGDX-RKHUIQFASA-N" . "InChI=1S/C182H275N47O51S/c1-17-94(10)148(229-176(273)135(89-231)224-163(260)122(74-102-53-55-106(233)56-54-102)212-171(268)133(83-145(246)247)220-175(272)134(88-230)225-181(278)150(96(12)19-3)228-174(271)124(73-101-42-24-21-25-43-101)221-177(274)146(193)99(15)232)179(276)200-98(14)152(249)203-118(63-69-281-16)159(256)218-130(80-142(240)241)169(266)206-114(51-33-38-67-186)160(257)227-149(95(11)18-2)180(277)222-127(77-105-86-194-90-198-105)166(263)208-116(58-61-137(189)235)157(254)207-117(59-62-138(190)236)158(255)217-131(81-143(242)243)170(267)213-123(72-100-40-22-20-23-41-100)173(270)226-147(93(8)9)178(275)223-129(79-140(192)238)168(265)214-126(76-104-85-196-110-47-29-27-45-108(104)110)165(262)211-121(71-92(6)7)162(259)210-120(70-91(4)5)161(258)199-97(13)151(248)202-115(57-60-136(188)234)156(253)204-111(48-30-35-64-183)153(250)197-87-141(239)201-112(49-31-36-65-184)154(251)205-113(50-32-37-66-185)155(252)216-128(78-139(191)237)167(264)219-132(82-144(244)245)172(269)215-125(75-103-84-195-109-46-28-26-44-107(103)109)164(261)209-119(182(279)280)52-34-39-68-187/h20-29,40-47,53-56,84-86,90-99,111-135,146-150,195-196,230-233H,17-19,30-39,48-52,57-83,87-89,183-187,193H2,1-16H3,(H2,188,234)(H2,189,235)(H2,190,236)(H2,191,237)(H2,192,238)(H,194,198)(H,197,250)(H,199,258)(H,200,276)(H,201,239)(H,202,248)(H,203,249)(H,204,253)(H,205,251)(H,206,266)(H,207,254)(H,208,263)(H,209,261)(H,210,259)(H,211,262)(H,212,268)(H,213,267)(H,214,265)(H,215,269)(H,216,252)(H,217,255)(H,218,256)(H,219,264)(H,220,272)(H,221,274)(H,222,277)(H,223,275)(H,224,260)(H,225,278)(H,226,270)(H,227,257)(H,228,271)(H,229,273)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,279,280)/t94-,95-,96-,97-,98-,99+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,146-,147-,148-,149-,150-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)CC(=O)O)CC(=O)N)CCCCN)CCCCN)CCCCN)CCC(=O)N)C)CC(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)CC(=O)N)C(C)C)Cc1ccccc1)CC(=O)O)CCC(=O)N)CCC(=O)N)Cc1nc[nH]c1)C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)CNC(=O)C(CCC(=O)O)N)Cc1ccccc1)CO)CC(=O)O)Cc1ccc(cc1)O)CO)C)CCSC)CC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)[C@@H](C)CC" . "IOBVONZFFZDDEF-OTCKMHAFSA-N" . "InChI=1S/C189H285N49O55S/c1-17-97(10)153(238-183(286)139(92-240)232-170(273)126(76-105-53-55-109(242)56-54-105)220-178(281)137(85-151(258)259)228-182(285)138(91-239)233-187(290)155(99(12)19-3)237-181(284)128(75-104-42-24-21-25-43-104)229-188(291)156(102(15)241)234-146(249)90-204-159(262)112(195)57-64-147(250)251)185(288)208-101(14)158(261)211-122(65-71-294-16)166(269)226-134(82-148(252)253)176(279)214-118(51-33-38-69-193)167(270)236-154(98(11)18-2)186(289)230-131(79-108-88-201-93-206-108)173(276)216-120(59-62-141(197)244)164(267)215-121(60-63-142(198)245)165(268)225-135(83-149(254)255)177(280)221-127(74-103-40-22-20-23-41-103)180(283)235-152(96(8)9)184(287)231-133(81-144(200)247)175(278)222-130(78-107-87-203-114-47-29-27-45-111(107)114)172(275)219-125(73-95(6)7)169(272)218-124(72-94(4)5)168(271)207-100(13)157(260)210-119(58-61-140(196)243)163(266)212-115(48-30-35-66-190)160(263)205-89-145(248)209-116(49-31-36-67-191)161(264)213-117(50-32-37-68-192)162(265)224-132(80-143(199)246)174(277)227-136(84-150(256)257)179(282)223-129(77-106-86-202-113-46-28-26-44-110(106)113)171(274)217-123(189(292)293)52-34-39-70-194/h20-29,40-47,53-56,86-88,93-102,112,115-139,152-156,202-203,239-242H,17-19,30-39,48-52,57-85,89-92,190-195H2,1-16H3,(H2,196,243)(H2,197,244)(H2,198,245)(H2,199,246)(H2,200,247)(H,201,206)(H,204,262)(H,205,263)(H,207,271)(H,208,288)(H,209,248)(H,210,260)(H,211,261)(H,212,266)(H,213,264)(H,214,279)(H,215,267)(H,216,276)(H,217,274)(H,218,272)(H,219,275)(H,220,281)(H,221,280)(H,222,278)(H,223,282)(H,224,265)(H,225,268)(H,226,269)(H,227,277)(H,228,285)(H,229,291)(H,230,289)(H,231,287)(H,232,273)(H,233,290)(H,234,249)(H,235,283)(H,236,270)(H,237,284)(H,238,286)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,292,293)/t97-,98-,99-,100-,101-,102+,112-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,152-,153-,154-,155-,156-/m0/s1" . "Nc1oc2c(n1)cc(cc2)c1ccc2n(c1)c(cn2)C(=O)N1CCOCC1" . "Nc1oc2c(n1)cc(cc2)c1ccc2n(c1)c(cn2)C(=O)N1CCOCC1" . "BLGWHBSBBJNKJO-UHFFFAOYSA-N" . "InChI=1S/C19H17N5O3/c20-19-22-14-9-12(1-3-16(14)27-19)13-2-4-17-21-10-15(24(17)11-13)18(25)23-5-7-26-8-6-23/h1-4,9-11H,5-8H2,(H2,20,22)" . "Cc1cc(C(Nc2ccccc2)C)c2c(c1)c(=O)cc(o2)N1CCOCC1" . "Cc1cc([C@@H](Nc2ccccc2)C)c2c(c1)c(=O)cc(o2)N1CCOCC1" . "VRCXIJAYLCUSHC-INIZCTEOSA-N" . "InChI=1S/C22H24N2O3/c1-15-12-18(16(2)23-17-6-4-3-5-7-17)22-19(13-15)20(25)14-21(27-22)24-8-10-26-11-9-24/h3-7,12-14,16,23H,8-11H2,1-2H3/t16-/m0/s1" . "Fc1ccc(cc1)CSc1nnc(s1)NC(=O)c1ccc(cc1)F" . "Fc1ccc(cc1)CSc1nnc(s1)NC(=O)c1ccc(cc1)F" . "ZDYQINDXPNAOKX-UHFFFAOYSA-N" . "InChI=1S/C16H11F2N3OS2/c17-12-5-1-10(2-6-12)9-23-16-21-20-15(24-16)19-14(22)11-3-7-13(18)8-4-11/h1-8H,9H2,(H,19,20,22)" . "Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(s2)C)C1=O" . "Fc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2ccc(s2)C)/C1=O" . "KXFOCXRVKPGLHA-MDWZMJQESA-N" . "InChI=1S/C16H11FN2O2S2/c1-9-2-7-12(23-9)8-13-14(20)18-16(22)19(15(13)21)11-5-3-10(17)4-6-11/h2-8H,1H3,(H,18,20,22)/b13-8+" . "OC1CCN(C1)c1ncc(cc1c1ccn[nH]1)C(=O)Nc1ccc(cc1)OC(Cl)(F)F" . "O[C@@H]1CCN(C1)c1ncc(cc1c1ccn[nH]1)C(=O)Nc1ccc(cc1)OC(Cl)(F)F" . "VOVZXURTCKPRDQ-CQSZACIVSA-N" . "InChI=1S/C20H18ClF2N5O3/c21-20(22,23)31-15-3-1-13(2-4-15)26-19(30)12-9-16(17-5-7-25-27-17)18(24-10-12)28-8-6-14(29)11-28/h1-5,7,9-10,14,29H,6,8,11H2,(H,25,27)(H,26,30)/t14-/m1/s1" . "COc1c(C)cc(cc1C)NC(=O)c1nn(c2c1CN(CC2(C)C(=O)N)C(=O)c1[nH]ccc1)Cc1ccc(cc1)F" . "COc1c(C)cc(cc1C)NC(=O)c1nn(c2c1CN(C[C@]2(C)C(=O)N)C(=O)c1[nH]ccc1)Cc1ccc(cc1)F" . "DUCNNEYLFOQFSW-PMERELPUSA-N" . "InChI=1S/C30H31FN6O4/c1-17-12-21(13-18(2)25(17)41-4)34-27(38)24-22-15-36(28(39)23-6-5-11-33-23)16-30(3,29(32)40)26(22)37(35-24)14-19-7-9-20(31)10-8-19/h5-13,33H,14-16H2,1-4H3,(H2,32,40)(H,34,38)/t30-/m0/s1" . "CC(CNc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)c1cccc(n1)C(F)(F)F)(O)C" . "CC(CNc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)c1cccc(n1)C(F)(F)F)(O)C" . "DYLUUSLLRIQKOE-UHFFFAOYSA-N" . "InChI=1S/C19H17F6N7O/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32)" . "CN1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)c1nnc(c(c1)OC(c1c(Cl)ccc(c1Cl)F)C)N" . "CN1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)c1nnc(c(c1)O[C@@H](c1c(Cl)ccc(c1Cl)F)C)N" . "ONPGOSVDVDPBCY-CQSZACIVSA-N" . "InChI=1S/C25H25Cl2FN6O3/c1-14(21-17(26)7-8-18(28)22(21)27)37-20-13-19(31-32-23(20)29)24(35)30-16-5-3-15(4-6-16)25(36)34-11-9-33(2)10-12-34/h3-8,13-14H,9-12H2,1-2H3,(H2,29,32)(H,30,35)/t14-/m1/s1" . "CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F" . "CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F" . "IDYZIJYBMGIQMJ-UHFFFAOYSA-N" . "InChI=1S/C15H17FN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23)" . "O=C1CCc2c(N1)nccc2Oc1ccc2c(c1)C1C(O2)C1c1nc2c([nH]1)cc(cc2)C(F)(F)F" . "O=C1CCc2c(N1)nccc2Oc1ccc2c(c1)[C@@H]1[C@H](O2)[C@H]1c1nc2c([nH]1)cc(cc2)C(F)(F)F" . "NGFFVZQXSRKHBM-FKBYEOEOSA-N" . "InChI=1S/C25H17F3N4O3/c26-25(27,28)11-1-4-15-16(9-11)31-24(30-15)21-20-14-10-12(2-5-17(14)35-22(20)21)34-18-7-8-29-23-13(18)3-6-19(33)32-23/h1-2,4-5,7-10,20-22H,3,6H2,(H,30,31)(H,29,32,33)/t20-,21-,22-/m0/s1" . "CCS(=O)(=O)N1CCN(CC1)c1ccc(cc1)Nc1ncc(c(n1)NC1CC1)C(=O)N" . "CCS(=O)(=O)N1CCN(CC1)c1ccc(cc1)Nc1ncc(c(n1)NC1CC1)C(=O)N" . "BGLPECHZZQDNCD-UHFFFAOYSA-N" . "InChI=1S/C20H27N7O3S/c1-2-31(29,30)27-11-9-26(10-12-27)16-7-5-15(6-8-16)24-20-22-13-17(18(21)28)19(25-20)23-14-3-4-14/h5-8,13-14H,2-4,9-12H2,1H3,(H2,21,28)(H2,22,23,24,25)" . "N#Cc1ccc(cn1)C1NC(=O)C(C(=C1C(=O)C)C)c1cccc(c1)C(F)(F)F" . "N#Cc1ccc(cn1)[C@H]1NC(=O)C(C(=C1C(=O)C)C)c1cccc(c1)C(F)(F)F" . "SHVLFOSIUCIFDN-MUMRKEEXSA-N" . "InChI=1S/C21H16F3N3O2/c1-11-17(12(2)28)19(14-6-7-16(9-25)26-10-14)27-20(29)18(11)13-4-3-5-15(8-13)21(22,23)24/h3-8,10,18-19H,1-2H3,(H,27,29)/t18?,19-/m1/s1" . "NCCN(Cc1c[nH]cc1c1ccc(cc1)OC(C)C)C" . "NCCN(Cc1c[nH]cc1c1ccc(cc1)OC(C)C)C" . "FMTVWAGUJRUAKE-UHFFFAOYSA-N" . "InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3" . "OC(=O)CCc1cccc(c1)[Sb](=O)(O)O" . "OC(=O)CCc1cccc(c1)[Sb](=O)(O)O" . "VXMRXQJADBGVFN-UHFFFAOYSA-L" . "InChI=1S/C9H9O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-5H,6-7H2,(H,10,11);2*1H2;;/q;;;;+2/p-2" . "OC(CN1CCc2c(C1)cccc2)CNC(=O)c1ccnc(c1)NC1CCC1" . "O[C@H](CN1CCc2c(C1)cccc2)CNC(=O)c1ccnc(c1)NC1CCC1" . "TWKYXZSXXXKKJU-FQEVSTJZSA-N" . "InChI=1S/C22H28N4O2/c27-20(15-26-11-9-16-4-1-2-5-18(16)14-26)13-24-22(28)17-8-10-23-21(12-17)25-19-6-3-7-19/h1-2,4-5,8,10,12,19-20,27H,3,6-7,9,11,13-15H2,(H,23,25)(H,24,28)/t20-/m0/s1" . "N#CN=C(N1CC(C(=N1)c1ccc(c(c1)Cl)Cl)N(C(=O)CO)CC)Nc1cccc(c1)OC(F)F" . "N#C/N=C(/N1C[C@@H](C(=N1)c1ccc(c(c1)Cl)Cl)N(C(=O)CO)CC)/Nc1cccc(c1)OC(F)F" . "OTTJIRVZJJGFTK-SFHVURJKSA-N" . "InChI=1S/C22H20Cl2F2N6O3/c1-2-31(19(34)11-33)18-10-32(30-20(18)13-6-7-16(23)17(24)8-13)22(28-12-27)29-14-4-3-5-15(9-14)35-21(25)26/h3-9,18,21,33H,2,10-11H2,1H3,(H,28,29)/t18-/m0/s1" . "ONC(=O)c1cnc(nc1)N(Cc1cc2c(s1)c(nc(n2)c1ccc(nc1)OC)N1CCOCC1)C" . "ONC(=O)c1cnc(nc1)N(Cc1cc2c(s1)c(nc(n2)c1ccc(nc1)OC)N1CCOCC1)C" . "JOWXJLIFIIOYMS-UHFFFAOYSA-N" . "InChI=1S/C23H24N8O4S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32)" . "CCCS(=O)(=O)c1nc(NC2CC2)cc(n1)c1ccc2c(c1)ccn2C1CC(C)(C)NC(C1)(C)C" . "CCCS(=O)(=O)c1nc(NC2CC2)cc(n1)c1ccc2c(c1)ccn2C1CC(C)(C)NC(C1)(C)C" . "XVECNLUKQDKOST-UHFFFAOYSA-N" . "InChI=1S/C27H37N5O2S/c1-6-13-35(33,34)25-29-22(15-24(30-25)28-20-8-9-20)18-7-10-23-19(14-18)11-12-32(23)21-16-26(2,3)31-27(4,5)17-21/h7,10-12,14-15,20-21,31H,6,8-9,13,16-17H2,1-5H3,(H,28,29,30)" . "COc1cc(CN(C)C)c(cc1c1cn(C)c(=O)c2c1ccnc2)OC" . "COc1cc(CN(C)C)c(cc1c1cn(C)c(=O)c2c1ccnc2)OC" . "BJFSUDWKXGMUKA-UHFFFAOYSA-N" . "InChI=1S/C20H23N3O3/c1-22(2)11-13-8-19(26-5)15(9-18(13)25-4)17-12-23(3)20(24)16-10-21-7-6-14(16)17/h6-10,12H,11H2,1-5H3" . "OCC(C(Oc1nc(SCc2cccc(c2F)F)nc(c1)NS(=O)(=O)N1CCC1)C)O" . "OC[C@@H]([C@H](Oc1nc(SCc2cccc(c2F)F)nc(c1)NS(=O)(=O)N1CCC1)C)O" . "QZECRCLSIGFCIO-RISCZKNCSA-N" . "InChI=1S/C18H22F2N4O5S2/c1-11(14(26)9-25)29-16-8-15(23-31(27,28)24-6-3-7-24)21-18(22-16)30-10-12-4-2-5-13(19)17(12)20/h2,4-5,8,11,14,25-26H,3,6-7,9-10H2,1H3,(H,21,22,23)/t11-,14+/m1/s1" . "FC(c1c(ccn2c1nnc2CC1CC1)CN1CCC(CC1)c1ccccc1)(F)F" . "FC(c1c(ccn2c1nnc2CC1CC1)CN1CCC(CC1)c1ccccc1)(F)F" . "LYDKDODJIBQNLK-UHFFFAOYSA-N" . "InChI=1S/C23H25F3N4/c24-23(25,26)21-19(10-13-30-20(14-16-6-7-16)27-28-22(21)30)15-29-11-8-18(9-12-29)17-4-2-1-3-5-17/h1-5,10,13,16,18H,6-9,11-12,14-15H2" . "CCCCn1ccc(c(c1=O)Cl)N1CCC(CC1)c1ccccc1" . "CCCCn1ccc(c(c1=O)Cl)N1CCC(CC1)c1ccccc1" . "HYOGJHCDLQSAHX-UHFFFAOYSA-N" . "InChI=1S/C20H25ClN2O/c1-2-3-12-23-15-11-18(19(21)20(23)24)22-13-9-17(10-14-22)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3" . "Cn1ncc(c1)c1ccc(cc1)c1cncc(c1N1CCC2(CC1)CCNC2=O)Cl" . "Cn1ncc(c1)c1ccc(cc1)c1cncc(c1N1CCC2(CC1)CCNC2=O)Cl" . "LBFYQISQYCGDDW-UHFFFAOYSA-N" . "InChI=1S/C23H24ClN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30)" . "CNc1ncc2c(n1)nc(c(c2)c1cc(NC(=O)NCCC(C)(C)C)c(cc1C)F)C" . "CNc1ncc2c(n1)nc(c(c2)c1cc(NC(=O)NCCC(C)(C)C)c(cc1C)F)C" . "HHCBMISMPSAZBF-UHFFFAOYSA-N" . "InChI=1S/C23H29FN6O/c1-13-9-18(24)19(29-22(31)26-8-7-23(3,4)5)11-16(13)17-10-15-12-27-21(25-6)30-20(15)28-14(17)2/h9-12H,7-8H2,1-6H3,(H2,26,29,31)(H,25,27,28,30)" . "N#Cc1c[nH]c(n1)C(=O)Nc1ccc(nc1C1=CCC(CC1)(C)C)C1CC(C)(C)OC(C1)(C)C" . "N#Cc1c[nH]c(n1)C(=O)Nc1ccc(nc1C1=CCC(CC1)(C)C)C1CC(C)(C)OC(C1)(C)C" . "BNVPFDRNGHMRJS-UHFFFAOYSA-N" . "InChI=1S/C27H35N5O2/c1-25(2)11-9-17(10-12-25)22-21(32-24(33)23-29-16-19(15-28)30-23)8-7-20(31-22)18-13-26(3,4)34-27(5,6)14-18/h7-9,16,18H,10-14H2,1-6H3,(H,29,30)(H,32,33)" . "OCC(C#Cc1ccc2c(c1)n(c1ncnc(n1)N)c(n2)C)(O)C" . "OCC(C#Cc1ccc2c(c1)n(c1ncnc(n1)N)c(n2)C)(O)C" . "XFZMSTKVAOPBGR-UHFFFAOYSA-N" . "InChI=1S/C16H16N6O2/c1-10-20-12-4-3-11(5-6-16(2,24)8-23)7-13(12)22(10)15-19-9-18-14(17)21-15/h3-4,7,9,23-24H,8H2,1-2H3,(H2,17,18,19,21)" . "Oc1ccc2c(c1SSc1c(O)ccc3c1cccc3)cccc2" . "Oc1ccc2c(c1SSc1c(O)ccc3c1cccc3)cccc2" . "RFAXLXKIAKIUDT-UHFFFAOYSA-N" . "InChI=1S/C20H14O2S2/c21-17-11-9-13-5-1-3-7-15(13)19(17)23-24-20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H" . "CCn1c2nc(ncc2cc(c1=O)c1ccc(cc1Cl)c1cncs1)Nc1ccc(cc1)N1CCN(CC1)C" . "CCn1c2nc(ncc2cc(c1=O)c1ccc(cc1Cl)c1cncs1)Nc1ccc(cc1)N1CCN(CC1)C" . "DHUJCQOUWQMVCG-UHFFFAOYSA-N" . "InChI=1S/C29H28ClN7OS/c1-3-37-27-20(14-24(28(37)38)23-9-4-19(15-25(23)30)26-17-31-18-39-26)16-32-29(34-27)33-21-5-7-22(8-6-21)36-12-10-35(2)11-13-36/h4-9,14-18H,3,10-13H2,1-2H3,(H,32,33,34)" . "Cc1ccc(cc1)c1nn(c2c1c(N)ncn2)C(C)(C)C" . "Cc1ccc(cc1)c1nn(c2c1c(N)ncn2)C(C)(C)C" . "ZVPDNRVYHLRXLX-UHFFFAOYSA-N" . "InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)" . "CCn1c2nc(ncc2cc(c1=O)c1ccc(cc1Cl)Cl)Nc1ccc(c(c1)F)N1CCNCC1" . "CCn1c2nc(ncc2cc(c1=O)c1ccc(cc1Cl)Cl)Nc1ccc(c(c1)F)N1CCNCC1" . "DHKFOIHIUYFSOF-UHFFFAOYSA-N" . "InChI=1S/C25H23Cl2FN6O/c1-2-34-23-15(11-19(24(34)35)18-5-3-16(26)12-20(18)27)14-30-25(32-23)31-17-4-6-22(21(28)13-17)33-9-7-29-8-10-33/h3-6,11-14,29H,2,7-10H2,1H3,(H,30,31,32)" . "CN(CC(c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)nc2c1scc2)C" . "CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)nc2c1scc2)C" . "AYCPARAPKDAOEN-LJQANCHMSA-N" . "InChI=1S/C25H30N8OS/c1-15-26-18-11-12-35-20(18)23(27-15)29-22-17-13-33(25(2,3)21(17)30-31-22)24(34)28-19(14-32(4)5)16-9-7-6-8-10-16/h6-12,19H,13-14H2,1-5H3,(H,28,34)(H2,26,27,29,30,31)/t19-/m1/s1" . "FC(CN1C2C=CC(=CC2N=C(C2C1C=CC(=C2)Cl)NC1CCN(C1)C(=O)NC(C)C)F)F" . "FC(CN1C2C=CC(=CC2N=C(C2C1C=CC(=C2)Cl)NC1CCN(C1)C(=O)NC(C)C)F)F" . "QPXRZHIUNWUCFG-UHFFFAOYSA-N" . "InChI=1S/C23H29ClF3N5O/c1-13(2)28-23(33)31-8-7-16(11-31)29-22-17-9-14(24)3-5-19(17)32(12-21(26)27)20-6-4-15(25)10-18(20)30-22/h3-6,9-10,13,16-21H,7-8,11-12H2,1-2H3,(H,28,33)(H,29,30)" . "Clc1ccc(cc1)CCCOCCCN1CCCCC1" . "Clc1ccc(cc1)CCCOCCCN1CCCCC1" . "NNACHAUCXXVJSP-UHFFFAOYSA-N" . "InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2" . "CCC1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4c(c3Cn1c2=O)[Si](C(C)(C)C)(C)C)O" . "CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4c(c3Cn1c2=O)[Si](C(C)(C)C)(C)C)O" . "XUSKJHCMMWAAHV-SANMLTNESA-N" . "InChI=1S/C26H30N2O5Si/c1-7-26(32)18-11-20-21-16(12-28(20)23(30)17(18)13-33-24(26)31)22(34(5,6)25(2,3)4)15-10-14(29)8-9-19(15)27-21/h8-11,29,32H,7,12-13H2,1-6H3/t26-/m0/s1" . "COC(Cn1c(=O)n(c2c1c1cc(ccc1nc2)c1cncc(c1)C(O)(C)C)C)C" . "CO[C@H](Cn1c(=O)n(c2c1c1cc(ccc1nc2)c1cncc(c1)C(O)(C)C)C)C" . "ACCFLVVUVBJNGT-AWEZNQCLSA-N" . "InChI=1S/C23H26N4O3/c1-14(30-5)13-27-21-18-9-15(16-8-17(11-24-10-16)23(2,3)29)6-7-19(18)25-12-20(21)26(4)22(27)28/h6-12,14,29H,13H2,1-5H3/t14-/m0/s1" . "Fc1ccc2c(c1)nc(c(c2)C(Nc1ncnc2c1[nH]cn2)C)c1ccccn1" . "Fc1ccc2c(c1)nc(c(c2)[C@@H](Nc1ncnc2c1[nH]cn2)C)c1ccccn1" . "KWRYMZHCQIOOEB-LBPRGKRZSA-N" . "InChI=1S/C21H16FN7/c1-12(28-21-19-20(25-10-24-19)26-11-27-21)15-8-13-5-6-14(22)9-17(13)29-18(15)16-4-2-3-7-23-16/h2-12H,1H3,(H2,24,25,26,27,28)/t12-/m0/s1" . "CC(Oc1ccc(cc1F)c1nn(c2c1c(N)ncn2)C(c1oc2ccc(cc2c(=O)c1c1cccc(c1)F)F)C)C" . "CC(Oc1ccc(cc1F)c1nn(c2c1c(N)ncn2)[C@H](c1oc2ccc(cc2c(=O)c1c1cccc(c1)F)F)C)C" . "IUVCFHHAEHNCFT-INIZCTEOSA-N" . "InChI=1S/C31H24F3N5O3/c1-15(2)41-24-9-7-18(12-22(24)34)27-26-30(35)36-14-37-31(26)39(38-27)16(3)29-25(17-5-4-6-19(32)11-17)28(40)21-13-20(33)8-10-23(21)42-29/h4-16H,1-3H3,(H2,35,36,37)/t16-/m0/s1" . "OCCC(=O)N1CCC(CC1)c1nn(c(n1)c1cnc(c(n1)c1nnc(o1)C(C)(C)C)N)CC" . "OCCC(=O)N1CCC(CC1)c1nn(c(n1)c1cnc(c(n1)c1nnc(o1)C(C)(C)C)N)CC" . "ZGRDYKFVDCFJCZ-UHFFFAOYSA-N" . "InChI=1S/C22H31N9O3/c1-5-31-19(26-18(29-31)13-6-9-30(10-7-13)15(33)8-11-32)14-12-24-17(23)16(25-14)20-27-28-21(34-20)22(2,3)4/h12-13,32H,5-11H2,1-4H3,(H2,23,24)" . "COC1CCC(CC1)N1C(=O)CNc2c1nc(cn2)c1ccc(nc1)C(O)(C)C" . "COC1CCC(CC1)N1C(=O)CNc2c1nc(cn2)c1ccc(nc1)C(O)(C)C" . "UFKLYTOEMRFKAD-UHFFFAOYSA-N" . "InChI=1S/C21H27N5O3/c1-21(2,28)17-9-4-13(10-22-17)16-11-23-19-20(25-16)26(18(27)12-24-19)14-5-7-15(29-3)8-6-14/h4,9-11,14-15,28H,5-8,12H2,1-3H3,(H,23,24)" . "COCCOc1cnc2c(c1)c(=O)n(cc2)C(c1nnc2n1cc(cc2F)c1cnn(c1)C)C" . "COCCOc1cnc2c(c1)c(=O)n(cc2)[C@@H](c1nnc2n1cc(cc2F)c1cnn(c1)C)C" . "DWHXUGDWKAIASB-CQSZACIVSA-N" . "InChI=1S/C23H22FN7O3/c1-14(30-5-4-20-18(23(30)32)9-17(11-25-20)34-7-6-33-3)21-27-28-22-19(24)8-15(13-31(21)22)16-10-26-29(2)12-16/h4-5,8-14H,6-7H2,1-3H3/t14-/m1/s1" . "CC#CC(=O)N1CCCC1c1nc(c2n1ccnc2N)c1ccc(cc1)C(=O)Nc1ccccn1" . "CC#CC(=O)N1CCC[C@H]1c1nc(c2n1ccnc2N)c1ccc(cc1)C(=O)Nc1ccccn1" . "WDENQIQQYWYTPO-IBGZPJMESA-N" . "InChI=1S/C26H23N7O2/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20/h3-4,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35)/t19-/m0/s1" . "CN(C(c1cscc1)C(=O)Nc1ccc2c(c1)cc[nH]c2=O)C" . "CN(C(c1cscc1)C(=O)Nc1ccc2c(c1)cc[nH]c2=O)C" . "VDYRZXYYQMMFJW-UHFFFAOYSA-N" . "InChI=1S/C17H17N3O2S/c1-20(2)15(12-6-8-23-10-12)17(22)19-13-3-4-14-11(9-13)5-7-18-16(14)21/h3-10,15H,1-2H3,(H,18,21)(H,19,22)" . "O=c1[nH]ccc2c1ccc(c2)OC1CCNCC1" . "O=c1[nH]ccc2c1ccc(c2)OC1CCNCC1" . "IPEXHQGMTHOKQV-UHFFFAOYSA-N" . "InChI=1S/C14H16N2O2/c17-14-13-2-1-12(9-10(13)3-8-16-14)18-11-4-6-15-7-5-11/h1-3,8-9,11,15H,4-7H2,(H,16,17)" . "OC1CCN(C1)C(=O)Nc1cnn2c1nc(cc2)N1CCCC1c1cc(F)ccc1F" . "O[C@H]1CCN(C1)C(=O)Nc1cnn2c1nc(cc2)N1CCC[C@@H]1c1cc(F)ccc1F" . "NYNZQNWKBKUAII-KBXCAEBGSA-N" . "InChI=1S/C21H22F2N6O2/c22-13-3-4-16(23)15(10-13)18-2-1-7-28(18)19-6-9-29-20(26-19)17(11-24-29)25-21(31)27-8-5-14(30)12-27/h3-4,6,9-11,14,18,30H,1-2,5,7-8,12H2,(H,25,31)/t14-,18+/m0/s1" . "OCCCC(=C(c1ccc(cc1)O)c1ccc(cc1)OCCN(C)C)c1ccccc1" . "OCCC/C(=C(/c1ccc(cc1)O)/c1ccc(cc1)OCCN(C)C)/c1ccccc1" . "ZVSFNBNLNLXEFQ-RQZHXJHFSA-N" . "InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-" . "O=C1NC(=O)C(S1)Cc1ccc(c2c1scc2)OCCc1nc(oc1C)c1ccccc1" . "O=C1NC(=O)C(S1)Cc1ccc(c2c1scc2)OCCc1nc(oc1C)c1ccccc1" . "HAAXAFNSRADSMK-UHFFFAOYSA-N" . "InChI=1S/C24H20N2O4S2/c1-14-18(25-23(30-14)15-5-3-2-4-6-15)9-11-29-19-8-7-16(21-17(19)10-12-31-21)13-20-22(27)26-24(28)32-20/h2-8,10,12,20H,9,11,13H2,1H3,(H,26,27,28)" . "OC(=O)c1csc(c1)c1ccc2c(c1)cc1c(c2)C(C)(C)CCC1(C)C" . "OC(=O)c1csc(c1)c1ccc2c(c1)cc1c(c2)C(C)(C)CCC1(C)C" . "URUSABQSUCBGGJ-UHFFFAOYSA-N" . "InChI=1S/C23H24O2S/c1-22(2)7-8-23(3,4)19-11-16-9-15(6-5-14(16)10-18(19)22)20-12-17(13-26-20)21(24)25/h5-6,9-13H,7-8H2,1-4H3,(H,24,25)" . "CCCCCCOc1cc2c(cc1N(c1ncc(cn1)C(=O)O)C)C(C)(C)CCC2(C)C" . "CCCCCCOc1cc2c(cc1N(c1ncc(cn1)C(=O)O)C)C(C)(C)CCC2(C)C" . "JJUUTJCZMGZJDZ-UHFFFAOYSA-N" . "InChI=1S/C26H37N3O3/c1-7-8-9-10-13-32-22-15-20-19(25(2,3)11-12-26(20,4)5)14-21(22)29(6)24-27-16-18(17-28-24)23(30)31/h14-17H,7-13H2,1-6H3,(H,30,31)" . "Cc1cc2c(cc1C(=C)c1ccc(c(c1)F)C(=O)O)C(C)(C)CCC2(C)C" . "Cc1cc2c(cc1C(=C)c1ccc(c(c1)F)C(=O)O)C(C)(C)CCC2(C)C" . "LWKAWHRSPCHMPJ-UHFFFAOYSA-N" . "InChI=1S/C24H27FO2/c1-14-11-19-20(24(5,6)10-9-23(19,3)4)13-18(14)15(2)16-7-8-17(22(26)27)21(25)12-16/h7-8,11-13H,2,9-10H2,1,3-6H3,(H,26,27)" . "C=CC1=C(C)C2=NC1=Cc1[n-]c(c(c1C)CCC(=O)O)C=C1N=C(C=c3[n-]c(=C2)c(C=C)c3C)C(=C1CCC(=O)O)C.[Zn+2]" . "C=CC1=C(C)C2=NC1=Cc1[n-]c(c(c1C)CCC(=O)O)C=C1N=C(C=c3[n-]c(=C2)c(C=C)c3C)C(=C1CCC(=O)O)C.[Zn+2]" . "FUTVBRXUIKZACV-UHFFFAOYSA-L" . "InChI=1S/C34H34N4O4.Zn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2" . "C=CC1=C(C)C2=NC1=Cc1[n-]c(c(c1C)CCC(=O)O)C=C1N=C(C=c3[n-]c(=C2)c(C=C)c3C)C(=C1CCC(=O)O)C.[Co+2]" . "C=CC1=C(C)C2=NC1=Cc1[n-]c(c(c1C)CCC(=O)O)C=C1N=C(C=c3[n-]c(=C2)c(C=C)c3C)C(=C1CCC(=O)O)C.[Co+2]" . "AQTFKGDWFRRIHR-UHFFFAOYSA-L" . "InChI=1S/C34H34N4O4.Co/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2" . "CCOC(=O)N1CCC(C1)CN(Cc1ccc(s1)[N+](=O)[O-])Cc1ccc(cc1)Cl" . "CCOC(=O)N1CCC(C1)CN(Cc1ccc(s1)[N+](=O)[O-])Cc1ccc(cc1)Cl" . "MMJJNHOIVCGAAP-UHFFFAOYSA-N" . "InChI=1S/C20H24ClN3O4S/c1-2-28-20(25)23-10-9-16(13-23)12-22(11-15-3-5-17(21)6-4-15)14-18-7-8-19(29-18)24(26)27/h3-8,16H,2,9-14H2,1H3" . "CCCCCNC(=O)N1CCC(C1)CN(Cc1ccc(s1)[N+](=O)[O-])Cc1ccc(cc1)Cl" . "CCCCCNC(=O)N1CCC(C1)CN(Cc1ccc(s1)[N+](=O)[O-])Cc1ccc(cc1)Cl" . "PPUYOYQTTWJTIU-UHFFFAOYSA-N" . "InChI=1S/C23H31ClN4O3S/c1-2-3-4-12-25-23(29)27-13-11-19(16-27)15-26(14-18-5-7-20(24)8-6-18)17-21-9-10-22(32-21)28(30)31/h5-10,19H,2-4,11-17H2,1H3,(H,25,29)" . "Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2)O" . "Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2)O" . "FURUXTVZLHCCNA-UHFFFAOYSA-N" . "InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2" . "ON=Cc1ccc(c(c1O)Cl)c1ccc(c(c1)F)O" . "O/N=C/c1ccc(c(c1O)Cl)c1ccc(c(c1)F)O" . "LRRMQNGSYOUANY-OMCISZLKSA-N" . "InChI=1S/C13H9ClFNO3/c14-12-9(3-1-8(6-16-19)13(12)18)7-2-4-11(17)10(15)5-7/h1-6,17-19H/b16-6+" . "Oc1ccc(cc1)C1(CCC(CC1)(F)F)c1ccccc1F" . "Oc1ccc(cc1)C1(CCC(CC1)(F)F)c1ccccc1F" . "HSMUKSLNDJOZQG-UHFFFAOYSA-N" . "InChI=1S/C18H17F3O/c19-16-4-2-1-3-15(16)17(9-11-18(20,21)12-10-17)13-5-7-14(22)8-6-13/h1-8,22H,9-12H2" . "Clc1ccccc1N1CCN(CC1)CCn1cnc2c1c(=O)n(C)c(=O)n2C" . "Clc1ccccc1N1CCN(CC1)CCn1cnc2c1c(=O)n(C)c(=O)n2C" . "NIDVDYQCGWISJZ-UHFFFAOYSA-N" . "InChI=1S/C19H23ClN6O2/c1-22-17-16(18(27)23(2)19(22)28)26(13-21-17)12-9-24-7-10-25(11-8-24)15-6-4-3-5-14(15)20/h3-6,13H,7-12H2,1-2H3" . "Nc1scc(c1C(=O)c1ccccc1)c1cccc(c1)C(F)(F)F" . "Nc1scc(c1C(=O)c1ccccc1)c1cccc(c1)C(F)(F)F" . "HNHLVOBHWXLIGP-UHFFFAOYSA-N" . "InChI=1S/C18H12F3NOS/c19-18(20,21)13-8-4-7-12(9-13)14-10-24-17(22)15(14)16(23)11-5-2-1-3-6-11/h1-10H,22H2" . "ONC(=O)CCCCCCOc1cc2c(ncnc2cc1OC)Nc1cccc(c1)C#C" . "ONC(=O)CCCCCCOc1cc2c(ncnc2cc1OC)Nc1cccc(c1)C#C" . "PLIVFNIUGLLCEK-UHFFFAOYSA-N" . "InChI=1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)" . "CCC1(O)C(=O)OCc2c1cc1c3nc4cc5OCOc5cc4cc3Cn1c2=O" . "CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4cc5OCOc5cc4cc3Cn1c2=O" . "RPFYDENHBPRCTN-NRFANRHFSA-N" . "InChI=1S/C21H16N2O6/c1-2-21(26)13-5-15-18-11(7-23(15)19(24)12(13)8-27-20(21)25)3-10-4-16-17(29-9-28-16)6-14(10)22-18/h3-6,26H,2,7-9H2,1H3/t21-/m0/s1" . "CCC1(O)C(=O)OCc2c1cc1c3nc4cnc(cc4c(c3Cn1c2=O)C)Br" . "CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4cnc(cc4c(c3Cn1c2=O)C)Br" . "WBLBIGPXRKCBEI-FQEVSTJZSA-N" . "InChI=1S/C20H16BrN3O4/c1-3-20(27)13-5-15-17-11(7-24(15)18(25)12(13)8-28-19(20)26)9(2)10-4-16(21)22-6-14(10)23-17/h4-6,27H,3,7-8H2,1-2H3/t20-/m0/s1" . "Cc1cc(Nc2ccc(cc2)NC(=O)c2ccc(cc2)Nc2ccnc3c2cccc3)nc(n1)N" . "Cc1cc(Nc2ccc(cc2)NC(=O)c2ccc(cc2)Nc2ccnc3c2cccc3)nc(n1)N" . "QSYLKMKIVWJAAK-UHFFFAOYSA-N" . "InChI=1S/C27H23N7O/c1-17-16-25(34-27(28)30-17)32-20-10-12-21(13-11-20)33-26(35)18-6-8-19(9-7-18)31-24-14-15-29-23-5-3-2-4-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)" . "OC(=O)CCC(N1Cc2c(C1=O)ccc(c2)NCc1cnc2c(n1)c(N)nc(n2)N)C(=O)O" . "OC(=O)CC[C@H](N1Cc2c(C1=O)ccc(c2)NCc1cnc2c(n1)c(N)nc(n2)N)C(=O)O" . "NYPQVENKFXVRKJ-ZDUSSCGKSA-N" . "InChI=1S/C20H20N8O5/c21-16-15-17(27-20(22)26-16)24-7-11(25-15)6-23-10-1-2-12-9(5-10)8-28(18(12)31)13(19(32)33)3-4-14(29)30/h1-2,5,7,13,23H,3-4,6,8H2,(H,29,30)(H,32,33)(H4,21,22,24,26,27)/t13-/m0/s1" . "Brc1cc(ccc1OC1CCNCC1)CN1CCC(C1)NC(=O)c1ccc(c(c1)Cl)Cl" . "Brc1cc(ccc1OC1CCNCC1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl" . "SXVZDDYARZWATR-KRWDZBQOSA-N" . "InChI=1S/C23H26BrCl2N3O2/c24-19-11-15(1-4-22(19)31-18-5-8-27-9-6-18)13-29-10-7-17(14-29)28-23(30)16-2-3-20(25)21(26)12-16/h1-4,11-12,17-18,27H,5-10,13-14H2,(H,28,30)/t17-/m0/s1" . "Clc1ccc(c(c1)Cl)C1(OCC(O1)COc1ccc(cc1)N1CCN(CC1)C(=O)C)Cn1cncc1" . "Clc1ccc(c(c1)Cl)[C@@]1(OC[C@@H](O1)COc1ccc(cc1)N1CCN(CC1)C(=O)C)Cn1cncc1" . "XMAYWYJOQHXEEK-JYFHCDHNSA-N" . "InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26+/m0/s1" . "Oc1ccc2c(c1)CNC(C2)C(=O)NC(C(C)C)CN1CCC(CC1)c1cccc(c1)O" . "Oc1ccc2c(c1)CN[C@H](C2)C(=O)N[C@@H](C(C)C)CN1CCC(CC1)c1cccc(c1)O" . "LGYDWJJZDCXEOV-JWQCQUIFSA-N" . "InChI=1S/C26H35N3O3/c1-17(2)25(16-29-10-8-18(9-11-29)19-4-3-5-22(30)12-19)28-26(32)24-14-20-6-7-23(31)13-21(20)15-27-24/h3-7,12-13,17-18,24-25,27,30-31H,8-11,14-16H2,1-2H3,(H,28,32)/t24-,25-/m1/s1" . "CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)CSCC(C(=O)NCC(=O)NC(C(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N)CO)NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CCSC1CC(=O)N(C1=O)CCNC(=O)CCCCC[N+]1=C(C=CC=CC=C2Cc3c(N2CC)ccc(c3)S(=O)(=O)[O-])Cc2c1ccc(c2)S(=O)(=O)[O-]" . "CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CSC[C@@H](C(=O)NCC(=O)N[C@@H](C(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N)CO)NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CCSC1CC(=O)N(C1=O)CCNC(=O)CCCCC[N+]1=C(/C=C/C=C/C=C/2/Cc3c(N2CC)ccc(c3)S(=O)(=O)[O-])Cc2c1ccc(c2)S(=O)(=O)[O-]" . "UNILWMWFPHPYOR-KXEYIPSPSA-M" . "InChI=1S/C109H176N12O30S4/c1-4-7-9-11-13-15-17-19-21-23-25-27-34-44-105(131)150-78-89(151-106(132)45-35-28-26-24-22-20-18-16-14-12-10-8-5-2)83-152-84-93(108(134)116-76-100(126)117-92(77-122)107(133)115-54-40-61-145-65-69-147-68-64-143-59-38-52-112-101(127)80-148-79-97(110)123)118-103(129)82-149-81-102(128)113-53-39-60-144-63-67-146-66-62-142-58-37-51-111-99(125)50-70-153-96-75-104(130)121(109(96)135)57-55-114-98(124)43-33-30-36-56-120-88(72-86-74-91(155(139,140)141)47-49-95(86)120)42-32-29-31-41-87-71-85-73-90(154(136,137)138)46-48-94(85)119(87)6-3/h29,31-32,41-42,46-49,73-74,89,92-93,96,122H,4-28,30,33-40,43-45,50-72,75-84H2,1-3H3,(H11-,110,111,112,113,114,115,116,117,118,123,124,125,126,127,128,129,133,134,136,137,138,139,140,141)/p-1/t89-,92-,93+,96?/m1/s1" . "Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2c1cccc2" . "Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2c1cccc2" . "SRFABRWQVPCPRG-UHFFFAOYSA-N" . "InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)" . "OC(=O)CN(S(=O)(=O)C)c1c(Cl)c(C)cc2c1[nH]c(=O)c(=O)[nH]2" . "OC(=O)CN(S(=O)(=O)C)c1c(Cl)c(C)cc2c1[nH]c(=O)c(=O)[nH]2" . "JQCXJCAKYWSWCH-UHFFFAOYSA-N" . "InChI=1S/C12H12ClN3O6S/c1-5-3-6-9(15-12(20)11(19)14-6)10(8(5)13)16(4-7(17)18)23(2,21)22/h3H,4H2,1-2H3,(H,14,19)(H,15,20)(H,17,18)" . "O=C1SC(=Cc2ccc(c(c2)C(F)(F)F)O)C(=O)N1CC(CC(F)(F)F)(CC(F)(F)F)C" . "O=C1S/C(=C/c2ccc(c(c2)C(F)(F)F)O)/C(=O)N1CC(CC(F)(F)F)(CC(F)(F)F)C" . "KSFQOHIAWRETBP-XGICHPGQSA-N" . "InChI=1S/C18H14F9NO3S/c1-15(6-16(19,20)21,7-17(22,23)24)8-28-13(30)12(32-14(28)31)5-9-2-3-11(29)10(4-9)18(25,26)27/h2-5,29H,6-8H2,1H3/b12-5-" . "COc1ccc2c(n1)cc(cc2)C(=O)N1CCC2(CC1)NC(=O)c1c(C2)cn(n1)C(C)(C)C" . "COc1ccc2c(n1)cc(cc2)C(=O)N1CCC2(CC1)NC(=O)c1c(C2)cn(n1)C(C)(C)C" . "ZXUGLISADYYLBK-UHFFFAOYSA-N" . "InChI=1S/C25H29N5O3/c1-24(2,3)30-15-18-14-25(27-22(31)21(18)28-30)9-11-29(12-10-25)23(32)17-6-5-16-7-8-20(33-4)26-19(16)13-17/h5-8,13,15H,9-12,14H2,1-4H3,(H,27,31)" . "CCCC(=O)NC(C(=O)NCCCCCCCCCCCN)Cc1ccc(cc1)O" . "CCCC(=O)N[C@H](C(=O)NCCCCCCCCCCCN)Cc1ccc(cc1)O" . "OZVULFLAPUPPFK-QFIPXVFZSA-N" . "InChI=1S/C24H41N3O3/c1-2-12-23(29)27-22(19-20-13-15-21(28)16-14-20)24(30)26-18-11-9-7-5-3-4-6-8-10-17-25/h13-16,22,28H,2-12,17-19,25H2,1H3,(H,26,30)(H,27,29)/t22-/m0/s1" . "CCc1ccc(cc1)S(=O)(=O)c1nnn2c1nc(NCc1cccs1)c1c2ccs1" . "CCc1ccc(cc1)S(=O)(=O)c1nnn2c1nc(NCc1cccs1)c1c2ccs1" . "UYFZCWXRMHSLTC-UHFFFAOYSA-N" . "InChI=1S/C20H17N5O2S3/c1-2-13-5-7-15(8-6-13)30(26,27)20-19-22-18(21-12-14-4-3-10-28-14)17-16(9-11-29-17)25(19)24-23-20/h3-11H,2,12H2,1H3,(H,21,22)" . "Fc1ccc(cc1)n1c(C)cc(c1C)C(=O)CN1CCCC1" . "Fc1ccc(cc1)n1c(C)cc(c1C)C(=O)CN1CCCC1" . "JUWDSDKJBMFLHE-UHFFFAOYSA-N" . "InChI=1S/C18H21FN2O/c1-13-11-17(18(22)12-20-9-3-4-10-20)14(2)21(13)16-7-5-15(19)6-8-16/h5-8,11H,3-4,9-10,12H2,1-2H3" . "CCCCCCCCCCCCCSC=CC(NC(=O)CCCCCCC)CO" . "CCCCCCCCCCCCCS/C=C/[C@@H](NC(=O)CCCCCCC)CO" . "NYZFADNSXWSJDZ-PPEFQKSUSA-N" . "InChI=1S/C25H49NO2S/c1-3-5-7-9-10-11-12-13-14-16-18-21-29-22-20-24(23-27)26-25(28)19-17-15-8-6-4-2/h20,22,24,27H,3-19,21,23H2,1-2H3,(H,26,28)/b22-20+/t24-/m1/s1" . "Clc1ccc(cc1)COc1ccsc1C(=O)NC(c1ccccc1)C" . "Clc1ccc(cc1)COc1ccsc1C(=O)N[C@H](c1ccccc1)C" . "RFZPGNRLOKVZJY-AWEZNQCLSA-N" . "InChI=1S/C20H18ClNO2S/c1-14(16-5-3-2-4-6-16)22-20(23)19-18(11-12-25-19)24-13-15-7-9-17(21)10-8-15/h2-12,14H,13H2,1H3,(H,22,23)/t14-/m0/s1" . "NC1=C(Cl)C(=O)C(=CC1=NNc1ccc(cc1)S(=O)(=O)Nc1ccccn1)C" . "NC1=C(Cl)C(=O)C(=C/C/1=N/Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1)C" . "GLWPTCULLHMSCO-OEAKJJBVSA-N" . "InChI=1S/C18H16ClN5O3S/c1-11-10-14(17(20)16(19)18(11)25)23-22-12-5-7-13(8-6-12)28(26,27)24-15-4-2-3-9-21-15/h2-10,22H,20H2,1H3,(H,21,24)/b23-14+" . "Fc1cccc(c1c1nc2c([nH]1)c(=O)[nH]c1c2ccc(c1)c1ccccc1)Cl" . "Fc1cccc(c1c1nc2c([nH]1)c(=O)[nH]c1c2ccc(c1)c1ccccc1)Cl" . "VTGCIWWYBFGGNJ-UHFFFAOYSA-N" . "InChI=1S/C22H13ClFN3O/c23-15-7-4-8-16(24)18(15)21-26-19-14-10-9-13(12-5-2-1-3-6-12)11-17(14)25-22(28)20(19)27-21/h1-11H,(H,25,28)(H,26,27)" . "N#Cc1nc(Nc2cc(F)cc(c2)F)c2c(n1)n(cn2)CC(F)F" . "N#Cc1nc(Nc2cc(F)cc(c2)F)c2c(n1)n(cn2)CC(F)F" . "VMJFQUMKCMNFSX-UHFFFAOYSA-N" . "InChI=1S/C14H8F4N6/c15-7-1-8(16)3-9(2-7)21-13-12-14(23-11(4-19)22-13)24(6-20-12)5-10(17)18/h1-3,6,10H,5H2,(H,21,22,23)" . "CC1COC(O1)(CCc1ccc(cc1)Cl)Cn1cncc1" . "C[C@@H]1CO[C@@](O1)(CCc1ccc(cc1)Cl)Cn1cncc1" . "PUVVRSXPYYFNAP-CZUORRHYSA-N" . "InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16-/m1/s1" . "Clc1ccccc1C(c1ccccc1Cl)N1C2CCC1CC(C2)(O)c1ncccn1" . "Clc1ccccc1C(c1ccccc1Cl)N1[C@@H]2CC[C@H]1CC(C2)(O)c1ncccn1" . "MQWMHMZNBGQNMT-LDSCYUJKSA-N" . "InChI=1S/C24H23Cl2N3O/c25-20-8-3-1-6-18(20)22(19-7-2-4-9-21(19)26)29-16-10-11-17(29)15-24(30,14-16)23-27-12-5-13-28-23/h1-9,12-13,16-17,22,30H,10-11,14-15H2/t16-,17+,24?" . "Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(C2)(O)c1ccccc1" . "Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(C2)(O)c1ccccc1" . "LOSJNRBXNQTUNT-UHFFFAOYSA-N" . "InChI=1S/C28H31NO/c1-20-10-6-8-14-25(20)27(26-15-9-7-11-21(26)2)29-23-16-17-24(29)19-28(30,18-23)22-12-4-3-5-13-22/h3-15,23-24,27,30H,16-19H2,1-2H3" . "O=C1Cc2c(N1C1CCN(CC1)C1CCC3c4c1cccc4CCC3)cccc2" . "O=C1Cc2c(N1C1CCN(CC1)C1CCC3c4c1cccc4CCC3)cccc2" . "SZKWDIATUVLAAW-UHFFFAOYSA-N" . "InChI=1S/C26H30N2O/c29-25-17-20-5-1-2-10-23(20)28(25)21-13-15-27(16-14-21)24-12-11-19-7-3-6-18-8-4-9-22(24)26(18)19/h1-2,4-5,8-10,19,21,24H,3,6-7,11-17H2" . "Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1" . "Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1" . "CSMVOZKEWSOFER-UHFFFAOYSA-N" . "InChI=1S/C24H27FN2O/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22/h3-9,16,26H,10-15H2,1-2H3" . "COc1ccc(cc1)C1N(c2ccccc2)C(=O)C1(F)F" . "COc1ccc(cc1)C1N(c2ccccc2)C(=O)C1(F)F" . "AIIIYUSGINMZMS-UHFFFAOYSA-N" . "InChI=1S/C16H13F2NO2/c1-21-13-9-7-11(8-10-13)14-16(17,18)15(20)19(14)12-5-3-2-4-6-12/h2-10,14H,1H3" . "O=C1NCN(C21CCN(CC2)C1Cc2c3c1cccc3ccc2)c1ccccc1" . "O=C1NCN(C21CCN(CC2)[C@@H]1Cc2c3c1cccc3ccc2)c1ccccc1" . "BBOAHBVXCYBKLC-JOCHJYFZSA-N" . "InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)/t22-/m1/s1" . "CN1CCN(CC1)Cc1ccc(cc1)Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)N(C)C)Cl" . "CN1CCN(CC1)Cc1ccc(cc1)Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)N(C)C)Cl" . "YUAALFPUEOYPNX-UHFFFAOYSA-N" . "InChI=1S/C24H30ClN7O2S/c1-30(2)35(33,34)22-7-5-4-6-21(22)28-23-20(25)16-26-24(29-23)27-19-10-8-18(9-11-19)17-32-14-12-31(3)13-15-32/h4-11,16H,12-15,17H2,1-3H3,(H2,26,27,28,29)" . "C=CC(=O)Nc1cccc(c1Nc1ncc2c(n1)ccc(c2)c1c(Cl)c(OC)cc(c1Cl)OC)C" . "C=CC(=O)Nc1cccc(c1Nc1ncc2c(n1)ccc(c2)c1c(Cl)c(OC)cc(c1Cl)OC)C" . "TXEBNKKOLVBTFK-UHFFFAOYSA-N" . "InChI=1S/C26H22Cl2N4O3/c1-5-21(33)30-18-8-6-7-14(2)25(18)32-26-29-13-16-11-15(9-10-17(16)31-26)22-23(27)19(34-3)12-20(35-4)24(22)28/h5-13H,1H2,2-4H3,(H,30,33)(H,29,31,32)" . "O=C(NCc1ccc(cc1)Br)COc1ccc(cc1)S(=O)(=O)NCCc1ccccc1" . "O=C(NCc1ccc(cc1)Br)COc1ccc(cc1)S(=O)(=O)NCCc1ccccc1" . "CZAFIFBJBFDMTP-UHFFFAOYSA-N" . "InChI=1S/C23H23BrN2O4S/c24-20-8-6-19(7-9-20)16-25-23(27)17-30-21-10-12-22(13-11-21)31(28,29)26-15-14-18-4-2-1-3-5-18/h1-13,26H,14-17H2,(H,25,27)" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CC(C)C)C(CC)C)CCC(=O)N)CCCCN)C)C)CC(=O)O)CC(C)C)CC(C)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(C(CC)C)N)CC(=O)O)CCCCN " . "CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC" . "WQWSKHPVGKVCQT-KXOXSZQSSA-N" . "InChI=1S/C78H132N20O19/c1-13-43(9)63(83)77(116)97-59(38-62(102)103)76(115)95-57(36-47-39-85-49-24-16-15-23-48(47)49)75(114)90-51(26-18-21-31-80)69(108)89-52(27-19-22-32-81)70(109)93-55(34-41(5)6)73(112)94-56(35-42(7)8)74(113)96-58(37-61(100)101)72(111)87-45(11)66(105)86-46(12)67(106)88-50(25-17-20-30-79)68(107)91-53(28-29-60(82)99)71(110)98-64(44(10)14-2)78(117)92-54(65(84)104)33-40(3)4/h15-16,23-24,39-46,50-59,63-64,85H,13-14,17-22,25-38,79-81,83H2,1-12H3,(H2,82,99)(H2,84,104)(H,86,105)(H,87,111)(H,88,106)(H,89,108)(H,90,114)(H,91,107)(H,92,117)(H,93,109)(H,94,112)(H,95,115)(H,96,113)(H,97,116)(H,98,110)(H,100,101)(H,102,103)/t43-,44-,45-,46-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-,64-/m0/s1" . "NC(C(=O)O)C=COCCN" . "N[C@H](C(=O)O)/C=C/OCCN" . "USGUVNUTPWXWBA-JRIXXDKMSA-N" . "InChI=1S/C6H12N2O3/c7-2-4-11-3-1-5(8)6(9)10/h1,3,5H,2,4,7-8H2,(H,9,10)/b3-1+/t5-/m0/s1" . "NC(C(=O)O)CC#N" . "N[C@H](C(=O)O)CC#N" . "BXRLWGXPSRYJDZ-VKHMYHEASA-N" . "InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1" . "COc1cc(C=Cc2ccc(c(c2)OP(=O)(O)O)OC)cc(c1OC)OC" . "COc1cc(/C=C/c2ccc(c(c2)OP(=O)(O)O)OC)cc(c1OC)OC" . "WDOGQTQEKVLZIJ-WAYWQWQTSA-N" . "InChI=1S/C18H21O8P/c1-22-14-8-7-12(9-15(14)26-27(19,20)21)5-6-13-10-16(23-2)18(25-4)17(11-13)24-3/h5-11H,1-4H3,(H2,19,20,21)/b6-5-" . "CCCNC(=O)COc1ccc(cc1)c1oc2c(c1C#Cc1cccc(c1)Cl)cc(c(c2)O)C(=O)O" . "CCCNC(=O)COc1ccc(cc1)c1oc2c(c1C#Cc1cccc(c1)Cl)cc(c(c2)O)C(=O)O" . "ZAKVHDWXAFAMTH-UHFFFAOYSA-N" . "InChI=1S/C28H22ClNO6/c1-2-12-30-26(32)16-35-20-9-7-18(8-10-20)27-21(11-6-17-4-3-5-19(29)13-17)22-14-23(28(33)34)24(31)15-25(22)36-27/h3-5,7-10,13-15,31H,2,12,16H2,1H3,(H,30,32)(H,33,34)" . "CNC(C(=O)NC1CCCCC2N(C1=O)C(CC2)C(=O)NC(c1ccccc1)c1ccccc1)C" . "CN[C@H](C(=O)N[C@H]1CCCC[C@@H]2N(C1=O)[C@@H](CC2)C(=O)NC(c1ccccc1)c1ccccc1)C" . "XBTLZUHJBOBKRG-HCUBDLJJSA-N" . "InChI=1S/C28H36N4O3/c1-19(29-2)26(33)30-23-16-10-9-15-22-17-18-24(32(22)28(23)35)27(34)31-25(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,19,22-25,29H,9-10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t19-,22-,23-,24-/m0/s1" . "COc1cc(C=Cc2ccc(c(c2)O)OC)cc(c1OC)OC" . "COc1cc(/C=C/c2ccc(c(c2)O)OC)cc(c1OC)OC" . "HVXBOLULGPECHP-WAYWQWQTSA-N" . "InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-" . "CCC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CC(=O)O)C=CS(=O)(=O)C)CC(C)C)CCC(=O)N)CO)NC(=O)C)C" . "CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)/C=C/S(=O)(=O)C)CC(C)C)CCC(=O)N)CO)NC(=O)C)C" . "CYOSFMPARINMQP-DRFTYPOQSA-N" . "InChI=1S/C28H48N6O11S/c1-7-16(4)24(30-17(5)36)28(43)34-21(14-35)27(42)32-19(8-9-22(29)37)25(40)33-20(12-15(2)3)26(41)31-18(13-23(38)39)10-11-46(6,44)45/h10-11,15-16,18-21,24,35H,7-9,12-14H2,1-6H3,(H2,29,37)(H,30,36)(H,31,41)(H,32,42)(H,33,40)(H,34,43)(H,38,39)/b11-10+/t16-,18+,19-,20-,21-,24-/m0/s1" . "COc1ccc2c(c1)CCC(C2=O)Cc1ccccc1Br" . "COc1ccc2c(c1)CCC(C2=O)Cc1ccccc1Br" . "GKGZPFKBDIIBHB-UHFFFAOYSA-N" . "InChI=1S/C18H17BrO2/c1-21-15-8-9-16-12(11-15)6-7-14(18(16)20)10-13-4-2-3-5-17(13)19/h2-5,8-9,11,14H,6-7,10H2,1H3" . "C#CCCCCCCCCCCCCCCCC(=O)O" . "C#CCCCCCCCCCCCCCCCC(=O)O" . "DZIILFGADWDKMF-UHFFFAOYSA-N" . "InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h1H,3-17H2,(H,19,20)" . "OC(=O)Cc1cccc(c1N)C(=O)c1ccc(cc1)Br" . "OC(=O)Cc1cccc(c1N)C(=O)c1ccc(cc1)Br" . "ZBPLOVFIXSTCRZ-UHFFFAOYSA-N" . "InChI=1S/C15H12BrNO3/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19/h1-7H,8,17H2,(H,18,19)" . "O=C(N(c1ccc(c(c1)O)C(=O)O)Cc1ccc(cc1)C1CCCCC1)CN(S(=O)(=O)c1cccc2c1cccc2N(C)C)C" . "O=C(N(c1ccc(c(c1)O)C(=O)O)Cc1ccc(cc1)C1CCCCC1)CN(S(=O)(=O)c1cccc2c1cccc2N(C)C)C" . "JOFDSYLCZIHGGO-UHFFFAOYSA-N" . "InChI=1S/C35H39N3O6S/c1-36(2)31-13-7-12-29-28(31)11-8-14-33(29)45(43,44)37(3)23-34(40)38(27-19-20-30(35(41)42)32(39)21-27)22-24-15-17-26(18-16-24)25-9-5-4-6-10-25/h7-8,11-21,25,39H,4-6,9-10,22-23H2,1-3H3,(H,41,42)" . "N#CC(c1ccccc1OCc1ccccc1)Nc1ccccc1OC" . "N#CC(c1ccccc1OCc1ccccc1)Nc1ccccc1OC" . "KYFXPHPBTUJULU-UHFFFAOYSA-N" . "InChI=1S/C22H20N2O2/c1-25-22-14-8-6-12-19(22)24-20(15-23)18-11-5-7-13-21(18)26-16-17-9-3-2-4-10-17/h2-14,20,24H,16H2,1H3" . "Nc1ccc(cc1)S(=O)(=O)N(c1ccnn1c1ccccc1)C(C)C" . "Nc1ccc(cc1)S(=O)(=O)N(c1ccnn1c1ccccc1)C(C)C" . "XBGCSAANSNGXGH-UHFFFAOYSA-N" . "InChI=1S/C18H20N4O2S/c1-14(2)22(25(23,24)17-10-8-15(19)9-11-17)18-12-13-20-21(18)16-6-4-3-5-7-16/h3-14H,19H2,1-2H3" . "O[C@@H]1C[C@@H]2N(C1)C(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC2=O)CC(=O)N)C(=O)N)N)Cc1ccc(c(c1)[N+](=O)[O-])O" . "C1[C@H](CN2[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@@H](C(=O)NCC(=O)N[C@H](C(=O)NCC2=O)Cc1cc(c(cc1)O)[N+](=O)[O-])CC(=O)O)N)C(=O)N)CC(=O)N)O" . "VALZMCWLPCJDLL-KXXTWUBKSA-N" . "InChI=1S/C32H43N11O15S2/c33-15-11-59-60-12-19(27(35)51)41-31(55)17(6-23(34)46)40-32(56)21-5-14(44)10-42(21)25(48)9-37-29(53)16(3-13-1-2-22(45)20(4-13)43(57)58)38-24(47)8-36-30(54)18(7-26(49)50)39-28(15)52/h1-2,4,14-19,21,44-45H,3,5-12,33H2,(H2,34,46)(H2,35,51)(H,36,54)(H,37,53)(H,38,47)(H,39,52)(H,40,56)(H,41,55)(H,49,50)/t14-,15+,16+,17+,18-,19+,21+/m1/s1" . "Clc1ccc(cc1)S(=O)(=O)C12CCOC(C1COc1c2c(F)ccc1F)CCS(=O)(=O)C" . "Clc1ccc(cc1)S(=O)(=O)[C@@]12CCO[C@H]([C@@H]1COc1c2c(F)ccc1F)CCS(=O)(=O)C" . "AMXSRXZYBDALJG-XERREHJYSA-N" . "InChI=1S/C21H21ClF2O6S2/c1-31(25,26)11-8-18-15-12-30-20-17(24)7-6-16(23)19(20)21(15,9-10-29-18)32(27,28)14-4-2-13(22)3-5-14/h2-7,15,18H,8-12H2,1H3/t15-,18-,21-/m0/s1" . "CCCCCCCCCCCCCCCC(=O)NC(C(c1ccccc1)O)CC(P(=O)(O)O)(F)F" . "CCCCCCCCCCCCCCCC(=O)N[C@H]([C@@H](c1ccccc1)O)CC(P(=O)(O)O)(F)F" . "KQPGDBVGEXAZAW-UKILVPOCSA-N" . "InChI=1S/C26H44F2NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(30)29-23(21-26(27,28)35(32,33)34)25(31)22-18-15-14-16-19-22/h14-16,18-19,23,25,31H,2-13,17,20-21H2,1H3,(H,29,30)(H2,32,33,34)/t23-,25+/m0/s1" . "ONC(=O)C(N(S(=O)(=O)c1ccc(cc1)OC)Cc1cccnc1)C(C)C" . "ONC(=O)[C@H](N(S(=O)(=O)c1ccc(cc1)OC)Cc1cccnc1)C(C)C" . "BSIZUMJRKYHEBR-QGZVFWFLSA-N" . "InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1" . "O=C(C=C(n1cnc2c1cccn2)c1ccccc1)OC1CC(OCC2CC2c2ccc(cc2)Cl)(CC(C1O)O)C(=O)O" . "O=C(/C=C(/n1cnc2c1cccn2)/c1ccccc1)O[C@@H]1C[C@@](OC[C@@H]2C[C@@H]2c2ccc(cc2)Cl)(C[C@H]([C@H]1O)O)C(=O)O" . "MYXPHMOLFCUDIL-MLFVSVOESA-N" . "InChI=1S/C32H30ClN3O7/c33-22-10-8-19(9-11-22)23-13-21(23)17-42-32(31(40)41)15-26(37)29(39)27(16-32)43-28(38)14-25(20-5-2-1-3-6-20)36-18-35-30-24(36)7-4-12-34-30/h1-12,14,18,21,23,26-27,29,37,39H,13,15-17H2,(H,40,41)/b25-14-/t21-,23+,26+,27+,29+,32-/m0/s1" . "OC1C(OP(=S)(O)O)C(OP(=S)(O)O)C(C(C1O)OP(=O)(O)O)O" . "OC1C(OP(=S)(O)O)C(OP(=S)(O)O)C(C(C1O)OP(=O)(O)O)O" . "OEKHZIJBKVQWQC-UHFFFAOYSA-N" . "InChI=1S/C6H15O13P3S2/c7-1-2(8)5(18-21(13,14)23)6(19-22(15,16)24)3(9)4(1)17-20(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,23)(H2,15,16,24)" . "O=C(CC12CCC3(C(C1=CCC1C2(C)CCC2C1(C)CCC(C2(C)C)O)C(C)C(CC3)C)C(=O)O)C=Cc1ccc(cc1)O" . "O=C(C[C@@]12CC[C@@]3([C@H](C1=CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)[C@@H](C)[C@@H](CC3)C)C(=O)O)/C=C/c1ccc(cc1)O" . "NOTLGMDYQMIWNO-ZBFFZJPBSA-N" . "InChI=1S/C39H54O5/c1-24-15-20-38(34(43)44)21-22-39(23-28(41)12-9-26-7-10-27(40)11-8-26)29(33(38)25(24)2)13-14-31-36(5)18-17-32(42)35(3,4)30(36)16-19-37(31,39)6/h7-13,24-25,30-33,40,42H,14-23H2,1-6H3,(H,43,44)/b12-9+/t24-,25+,30+,31-,32+,33+,36+,37-,38+,39+/m1/s1" . "OC1CCC(CC1)Nc1nc2ccc(cc2n2c1ncc2)C(=O)NC1(CC1)c1ccccc1" . "OC1CCC(CC1)Nc1nc2ccc(cc2n2c1ncc2)C(=O)NC1(CC1)c1ccccc1" . "YOOLXKXFWTXRHM-UHFFFAOYSA-N" . "InChI=1S/C26H27N5O2/c32-20-9-7-19(8-10-20)28-23-24-27-14-15-31(24)22-16-17(6-11-21(22)29-23)25(33)30-26(12-13-26)18-4-2-1-3-5-18/h1-6,11,14-16,19-20,32H,7-10,12-13H2,(H,28,29)(H,30,33)" . "C=CC(=O)c1ccc(cc1)O" . "C=CC(=O)c1ccc(cc1)O" . "NKPPNPJUBLEKAD-UHFFFAOYSA-N" . "InChI=1S/C9H8O2/c1-2-9(11)7-3-5-8(10)6-4-7/h2-6,10H,1H2" . "OCCNC(=O)c1cccc(c1)c1cccc2c1cc(o2)Cc1cccc(c1)C(F)(F)F" . "OCCNC(=O)c1cccc(c1)c1cccc2c1cc(o2)Cc1cccc(c1)C(F)(F)F" . "LBKIJSKRXVUWER-UHFFFAOYSA-N" . "InChI=1S/C25H20F3NO3/c26-25(27,28)19-7-1-4-16(12-19)13-20-15-22-21(8-3-9-23(22)32-20)17-5-2-6-18(14-17)24(31)29-10-11-30/h1-9,12,14-15,30H,10-11,13H2,(H,29,31)" . "Nc1ccc(cn1)c1ccc2c(c1)c1c(cn2)ccc(=O)n1c1cccc(c1)C(F)(F)F" . "Nc1ccc(cn1)c1ccc2c(c1)c1c(cn2)ccc(=O)n1c1cccc(c1)C(F)(F)F" . "GUXXEUUYCAYESJ-UHFFFAOYSA-N" . "InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)" . "OC(=O)C=Cc1ccc(c(c1)Cl)c1ccc(c(c1)C12CC3CC(C2)(CC(C1)(C3)C)C)O" . "OC(=O)/C=C/c1ccc(c(c1)Cl)c1ccc(c(c1)C12CC3CC(C2)(CC(C1)(C3)C)C)O" . "DIXYWCRPNNUEHU-XBXARRHUSA-N" . "InChI=1S/C27H29ClO3/c1-25-11-18-12-26(2,14-25)16-27(13-18,15-25)21-10-19(5-7-23(21)29)20-6-3-17(9-22(20)28)4-8-24(30)31/h3-10,18,29H,11-16H2,1-2H3,(H,30,31)/b8-4+" . "CC[N+](Cc1ccccc1Br)(C)C" . "CC[N+](Cc1ccccc1Br)(C)C" . "AAQOQKQBGPPFNS-UHFFFAOYSA-N" . "InChI=1S/C11H17BrN/c1-4-13(2,3)9-10-7-5-6-8-11(10)12/h5-8H,4,9H2,1-3H3/q+1" . "OCC1OC(C(C1O)O)Oc1cc(O)cc(c1C(=O)CCc1ccc(cc1)O)O" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)Oc1cc(O)cc(c1C(=O)CCc1ccc(cc1)O)O" . "ONBQEOIKXPHGMB-VBSBHUPXSA-N" . "InChI=1S/C20H22O9/c21-9-16-18(26)19(27)20(29-16)28-15-8-12(23)7-14(25)17(15)13(24)6-3-10-1-4-11(22)5-2-10/h1-2,4-5,7-8,16,18-23,25-27H,3,6,9H2/t16-,18-,19-,20-/m1/s1" . "CCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O" . "CCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O" . "PBIBEWTURATALQ-UHFFFAOYSA-N" . "InChI=1S/C31H37NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-14,16-19,29,34H,2,9-10,15,20-24H2,1H3" . "OC(=O)c1sccc1SCc1ccc(c(c1)Cl)Cl" . "OC(=O)c1sccc1SCc1ccc(c(c1)Cl)Cl" . "UCHDVTOVFHVWOS-UHFFFAOYSA-N" . "InChI=1S/C12H8Cl2O2S2/c13-8-2-1-7(5-9(8)14)6-18-10-3-4-17-11(10)12(15)16/h1-5H,6H2,(H,15,16)" . "NC(=NCCCC(C(=O)O)N)CC=C" . "NC(=NCCC[C@@H](C(=O)O)N)CC=C" . "LMDRHVQXMBGSGU-ZETCQYMHSA-N" . "InChI=1S/C9H17N3O2/c1-2-4-8(11)12-6-3-5-7(10)9(13)14/h2,7H,1,3-6,10H2,(H2,11,12)(H,13,14)/t7-/m0/s1" . "CCCc1nn(c2c1[nH]c(nc2=O)c1cc(ccc1OCC)S(=O)(=O)Nc1ccc(c(c1)C(=O)O)O)C" . "CCCc1nn(c2c1[nH]c(nc2=O)c1cc(ccc1OCC)S(=O)(=O)Nc1ccc(c(c1)C(=O)O)O)C" . "HQWXZTRYIWULAX-UHFFFAOYSA-N" . "InChI=1S/C24H25N5O7S/c1-4-6-17-20-21(29(3)27-17)23(31)26-22(25-20)16-12-14(8-10-19(16)36-5-2)37(34,35)28-13-7-9-18(30)15(11-13)24(32)33/h7-12,28,30H,4-6H2,1-3H3,(H,32,33)(H,25,26,31)" . "O=C(N(C1CNCC1)CCc1ccccc1Cl)c1ccc(cc1)CN1CCCC(C1)c1ccccc1C" . "O=C(N(C1CNCC1)CCc1ccccc1Cl)c1ccc(cc1)CN1CCCC(C1)c1ccccc1C" . "PHVXTQIROLEEDB-UHFFFAOYSA-N" . "InChI=1S/C32H38ClN3O/c1-24-7-2-4-10-30(24)28-9-6-19-35(23-28)22-25-12-14-27(15-13-25)32(37)36(29-16-18-34-21-29)20-17-26-8-3-5-11-31(26)33/h2-5,7-8,10-15,28-29,34H,6,9,16-23H2,1H3" . "CNC(=O)Nc1ccc(cc1)c1nccc(c1)c1ccnc(n1)Nc1ccc(c(c1)S(=O)(=O)N(CC)CC)Cl" . "CNC(=O)Nc1ccc(cc1)c1nccc(c1)c1ccnc(n1)Nc1ccc(c(c1)S(=O)(=O)N(CC)CC)Cl" . "RZFJBSIAXYEPBX-UHFFFAOYSA-N" . "InChI=1S/C27H28ClN7O3S/c1-4-35(5-2)39(37,38)25-17-21(10-11-22(25)28)32-26-31-15-13-23(34-26)19-12-14-30-24(16-19)18-6-8-20(9-7-18)33-27(36)29-3/h6-17H,4-5H2,1-3H3,(H2,29,33,36)(H,31,32,34)" . "CC([n+]1ccc(c2c1cccc2)C=c1ccc2c(n1C(C)C)cccc2)C" . "CC([n+]1ccc(c2c1cccc2)/C=c/1/ccc2c(n1C(C)C)cccc2)C" . "TYFOKKOWQOKKCH-UHFFFAOYSA-N" . "InChI=1S/C25H27N2/c1-18(2)26-16-15-21(23-10-6-8-12-25(23)26)17-22-14-13-20-9-5-7-11-24(20)27(22)19(3)4/h5-19H,1-4H3/q+1" . "CCN(CCOc1cc(CCCCc2ccc(c(c2)OCCN(CC)CC)OCCN(CC)CC)ccc1OCCN(CC)CC)CC" . "CCN(CCOc1cc(CCCCc2ccc(c(c2)OCCN(CC)CC)OCCN(CC)CC)ccc1OCCN(CC)CC)CC" . "QROCYVPJPWZLIK-UHFFFAOYSA-N" . "InChI=1S/C40H70N4O4/c1-9-41(10-2)25-29-45-37-23-21-35(33-39(37)47-31-27-43(13-5)14-6)19-17-18-20-36-22-24-38(46-30-26-42(11-3)12-4)40(34-36)48-32-28-44(15-7)16-8/h21-24,33-34H,9-20,25-32H2,1-8H3" . "Cc1nnc2n1nc(c1ccc(c(c1)NS(=O)(=O)C)N1CCOCC1)c1c2cccc1" . "Cc1nnc2n1nc(c1ccc(c(c1)NS(=O)(=O)C)N1CCOCC1)c1c2cccc1" . "MYFFGZYMLKZBPZ-UHFFFAOYSA-N" . "InChI=1S/C21H22N6O3S/c1-14-22-23-21-17-6-4-3-5-16(17)20(24-27(14)21)15-7-8-19(26-9-11-30-12-10-26)18(13-15)25-31(2,28)29/h3-8,13,25H,9-12H2,1-2H3" . "C=CCN1C(=S)NC(=O)C(=Cc2ccc(o2)c2cccc(c2Cl)Cl)C1=O" . "C=CCN1C(=S)NC(=O)/C(=C/c2ccc(o2)c2cccc(c2Cl)Cl)/C1=O" . "NASLGRREAVKNNT-FMIVXFBMSA-N" . "InChI=1S/C18H12Cl2N2O3S/c1-2-8-22-17(24)12(16(23)21-18(22)26)9-10-6-7-14(25-10)11-4-3-5-13(19)15(11)20/h2-7,9H,1,8H2,(H,21,23,26)/b12-9+" . "CCCCCCCC(=O)OC1C(=O)C(=C2C1C(C)(OC(=O)C)CC(C1(C2OC(=O)C1(C)O)O)OC(=O)CCCCCCCCCCCNC(=O)CCC(C(=O)O)N)C" . "CCCCCCCC(=O)O[C@@H]1C(=O)C(=C2[C@H]1[C@@](C)(OC(=O)C)C[C@@H]([C@]1([C@H]2OC(=O)[C@@]1(C)O)O)OC(=O)CCCCCCCCCCCNC(=O)CCC(C(=O)O)N)C" . "WSISVGWHSKNHQQ-JEWAQKBPSA-N" . "InChI=1S/C42H66N2O14/c1-6-7-8-14-17-21-32(48)56-36-34-33(26(2)35(36)49)37-42(54,41(5,53)39(52)57-37)29(25-40(34,4)58-27(3)45)55-31(47)20-18-15-12-10-9-11-13-16-19-24-44-30(46)23-22-28(43)38(50)51/h28-29,34,36-37,53-54H,6-25,43H2,1-5H3,(H,44,46)(H,50,51)/t28?,29-,34+,36-,37-,40-,41+,42+/m0/s1" . "Oc1ccccc1c1ccc(cc1)c1ccc2c(c1)c(O)c(c(n2)O)O" . "Oc1ccccc1c1ccc(cc1)c1ccc2c(c1)c(O)c(c(n2)O)O" . "DMDAXRKDNRQTIF-UHFFFAOYSA-N" . "InChI=1S/C21H15NO4/c23-18-4-2-1-3-15(18)13-7-5-12(6-8-13)14-9-10-17-16(11-14)19(24)20(25)21(26)22-17/h1-11,23,25H,(H2,22,24,26)" . "O=C(c1cc2c([nH]1)c(ccc2)[N+](=O)[O-])NCCc1ccccc1" . "O=C(c1cc2c([nH]1)c(ccc2)[N+](=O)[O-])NCCc1ccccc1" . "VXDJRTJBOJFUOC-UHFFFAOYSA-N" . "InChI=1S/C17H15N3O3/c21-17(18-10-9-12-5-2-1-3-6-12)14-11-13-7-4-8-15(20(22)23)16(13)19-14/h1-8,11,19H,9-10H2,(H,18,21)" . "OC1CC(O)C(=C)C(=CC=C2CCCC3(C2CCC3C(CCS(=O)(=N)c2ccccc2)C)C)C1" . "O[C@H]1C[C@H](O)C(=C)/C(=C/C=C/2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CCS(=O)(=N)c2ccccc2)C)C)/C1" . "FANCTJAFZSYTIS-IQUVVAJASA-N" . "InChI=1S/C29H41NO3S/c1-20(15-17-34(30,33)25-9-5-4-6-10-25)26-13-14-27-22(8-7-16-29(26,27)3)11-12-23-18-24(31)19-28(32)21(23)2/h4-6,9-12,20,24,26-28,30-32H,2,7-8,13-19H2,1,3H3/b22-11+,23-12-/t20-,24-,26-,27+,28+,29-,34?/m1/s1" . "CN(c1ccc2c(c1)oc(=O)c(c2)C(=O)O)Cc1ccccc1" . "CN(c1ccc2c(c1)oc(=O)c(c2)C(=O)O)Cc1ccccc1" . "XTKDQPFUOFAMRL-UHFFFAOYSA-N" . "InChI=1S/C18H15NO4/c1-19(11-12-5-3-2-4-6-12)14-8-7-13-9-15(17(20)21)18(22)23-16(13)10-14/h2-10H,11H2,1H3,(H,20,21)" . "CCCCCCCCCCCCCC(=O)NC(C(c1ccccc1)O)C" . "CCCCCCCCCCCCCC(=O)N[C@@H]([C@H](c1ccccc1)O)C" . "YLAZEWZHIRBZDA-NFBKMPQASA-N" . "InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-16-19-22(25)24-20(2)23(26)21-17-14-13-15-18-21/h13-15,17-18,20,23,26H,3-12,16,19H2,1-2H3,(H,24,25)/t20-,23-/m1/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCSC)CC(C)C)CCCCNC(=S)C)NC(=O)C(N)C" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCSC)CC(C)C)CCCCNC(=S)C)NC(=O)[C@@H](N)C" . "IIESJRORKKINMK-SVXFZJLFSA-N" . "InChI=1S/C28H53N7O6S2/c1-17(2)16-23(27(39)34-22(28(40)41)12-15-43-5)35-26(38)21(11-7-9-14-31-19(4)42)33-25(37)20(10-6-8-13-29)32-24(36)18(3)30/h17-18,20-23H,6-16,29-30H2,1-5H3,(H,31,42)(H,32,36)(H,33,37)(H,34,39)(H,35,38)(H,40,41)/t18-,20-,21-,22-,23-/m0/s1" . "O=C1C(N)Cc2c(N1O)ccc(c2)Oc1ccccc1" . "O=C1[C@@H](N)Cc2c(N1O)ccc(c2)Oc1ccccc1" . "COBQSWIQOSRUIK-ZDUSSCGKSA-N" . "InChI=1S/C15H14N2O3/c16-13-9-10-8-12(20-11-4-2-1-3-5-11)6-7-14(10)17(19)15(13)18/h1-8,13,19H,9,16H2/t13-/m0/s1" . "NC(=N)SCc1cc(F)ccc1Sc1ccc(cc1CSC(=N)N)[N+](=O)[O-]" . "NC(=N)SCc1cc(F)ccc1Sc1ccc(cc1CSC(=N)N)[N+](=O)[O-]" . "KPKVFORNVZIISV-UHFFFAOYSA-N" . "InChI=1S/C16H16FN5O2S3/c17-11-1-3-13(9(5-11)7-25-15(18)19)27-14-4-2-12(22(23)24)6-10(14)8-26-16(20)21/h1-6H,7-8H2,(H3,18,19)(H3,20,21)" . "CC(Cn1c2sc(c(c2c(=O)n(c1=O)C)C(=O)N1CCC(C1)O)Cc1ccnc2c1cccc2)C" . "CC(Cn1c2sc(c(c2c(=O)n(c1=O)C)C(=O)N1CC[C@H](C1)O)Cc1ccnc2c1cccc2)C" . "JOFQERPJMGKMMX-QGZVFWFLSA-N" . "InChI=1S/C26H28N4O4S/c1-15(2)13-30-25-22(23(32)28(3)26(30)34)21(24(33)29-11-9-17(31)14-29)20(35-25)12-16-8-10-27-19-7-5-4-6-18(16)19/h4-8,10,15,17,31H,9,11-14H2,1-3H3/t17-/m1/s1" . "Clc1ccc(cc1)Cn1c(CC(C(=O)O)(C)C)c(c2c1ccc(c2)c1ccc(c(c1)F)c1ccccc1C)C" . "Clc1ccc(cc1)Cn1c(CC(C(=O)O)(C)C)c(c2c1ccc(c2)c1ccc(c(c1)F)c1ccccc1C)C" . "IYCJVTFMIQICDJ-UHFFFAOYSA-N" . "InChI=1S/C34H31ClFNO2/c1-21-7-5-6-8-27(21)28-15-11-25(18-30(28)36)24-12-16-31-29(17-24)22(2)32(19-34(3,4)33(38)39)37(31)20-23-9-13-26(35)14-10-23/h5-18H,19-20H2,1-4H3,(H,38,39)" . "O=C1NC(=S)N(C(=O)C1=Cc1cccs1)c1ccccc1F" . "O=C1NC(=S)N(C(=O)/C/1=C/c1cccs1)c1ccccc1F" . "MKKQUOFAFVQDCS-NTMALXAHSA-N" . "InChI=1S/C15H9FN2O2S2/c16-11-5-1-2-6-12(11)18-14(20)10(13(19)17-15(18)21)8-9-4-3-7-22-9/h1-8H,(H,17,19,21)/b10-8-" . "CCCOCCn1c2cc(ncc2nc(c1=O)NCc1cnccn1)c1ccc(nc1)OC" . "CCCOCCn1c2cc(ncc2nc(c1=O)NCc1cnccn1)c1ccc(nc1)OC" . "HCCNBKFJYUWLEX-UHFFFAOYSA-N" . "InChI=1S/C23H25N7O3/c1-3-9-33-10-8-30-20-11-18(16-4-5-21(32-2)27-12-16)26-15-19(20)29-22(23(30)31)28-14-17-13-24-6-7-25-17/h4-7,11-13,15H,3,8-10,14H2,1-2H3,(H,28,29)" . "CCCCC=CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(cc1)[N+](=O)[O-]" . "CCCC/C=C/COC(=O)C1=C(C)NC(=O)NC1c1ccc(cc1)[N+](=O)[O-]" . "BEXZJJQVPWJPOA-VOTSOKGWSA-N" . "InChI=1S/C19H23N3O5/c1-3-4-5-6-7-12-27-18(23)16-13(2)20-19(24)21-17(16)14-8-10-15(11-9-14)22(25)26/h6-11,17H,3-5,12H2,1-2H3,(H2,20,21,24)/b7-6+" . "C=CC1(C)CC(=O)C2(C(O1)(C)C(OC(=O)C)C(C1C2(C)C(O)CCC1(C)C)OC(=O)NCCc1ccccn1)O" . "C=C[C@@]1(C)CC(=O)[C@]2([C@@](O1)(C)[C@@H](OC(=O)C)[C@H]([C@@H]1[C@]2(C)[C@@H](O)CCC1(C)C)OC(=O)NCCc1ccccn1)O" . "PSLUFJFHTBIXMW-WYEYVKMPSA-N" . "InChI=1S/C30H42N2O8/c1-8-27(5)17-21(35)30(37)28(6)20(34)12-14-26(3,4)23(28)22(24(38-18(2)33)29(30,7)40-27)39-25(36)32-16-13-19-11-9-10-15-31-19/h8-11,15,20,22-24,34,37H,1,12-14,16-17H2,2-7H3,(H,32,36)/t20-,22-,23-,24-,27-,28-,29+,30-/m0/s1" . "N#Cc1ccc2c(c1)C(n1oc3c(c1=O)ccc(c3)Cl)C(C(O2)(C)C)O" . "N#Cc1ccc2c(c1)[C@@H](n1oc3c(c1=O)ccc(c3)Cl)[C@@H](C(O2)(C)C)O" . "LSWVRWFSRJQEKB-SJORKVTESA-N" . "InChI=1S/C19H15ClN2O4/c1-19(2)17(23)16(13-7-10(9-21)3-6-14(13)25-19)22-18(24)12-5-4-11(20)8-15(12)26-22/h3-8,16-17,23H,1-2H3/t16-,17+/m1/s1" . "C[n+]1ccc(cc1)C=Cc1cccc2c1cccc2" . "C[n+]1ccc(cc1)/C=C/c1cccc2c1cccc2" . "FJFKCRZPKGCGJE-MDZDMXLPSA-N" . "InChI=1S/C18H16N/c1-19-13-11-15(12-14-19)9-10-17-7-4-6-16-5-2-3-8-18(16)17/h2-14H,1H3/q+1/b10-9+" . "OC(=O)C(CCCn1ccnc1N)N" . "OC(=O)[C@H](CCCn1ccnc1N)N" . "WGFGZNVQMGCHHV-LURJTMIESA-N" . "InChI=1S/C8H14N4O2/c9-6(7(13)14)2-1-4-12-5-3-11-8(12)10/h3,5-6H,1-2,4,9H2,(H2,10,11)(H,13,14)/t6-/m0/s1" . "CC(=O)Nc1nc2c(s1)cc(cc2)c1cnc(c(c1)NS(=O)(=O)c1ccc(cc1)F)Cl" . "CC(=O)Nc1nc2c(s1)cc(cc2)c1cnc(c(c1)NS(=O)(=O)c1ccc(cc1)F)Cl" . "YGBMCLDVRUGXOV-UHFFFAOYSA-N" . "InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27)" . "O=C(NC(C(CC(Cc1ccccc1)NC(=O)C(C(C)C)NC(=O)N(Cc1csc(n1)C(C)C)C)O)Cc1ccccc1)OCc1cncs1" . "O=C(N[C@H]([C@H](C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)N(Cc1csc(n1)C(C)C)C)O)Cc1ccccc1)OCc1cncs1" . "NCDNCNXCDXHOMX-XGKFQTDJSA-N" . "InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1" . "CC(C(=O)N)NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(C(Cc1ccccc1)N)O" . "C[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H]([C@@H](Cc1ccccc1)N)O" . "YVUUZAPYLPWFHE-HXFGRODQSA-N" . "InChI=1S/C23H33N5O5/c1-14(20(25)30)26-21(31)17-9-5-11-27(17)22(32)18-10-6-12-28(18)23(33)19(29)16(24)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-19,29H,5-6,9-13,24H2,1H3,(H2,25,30)(H,26,31)/t14-,16+,17-,18-,19-/m0/s1" . "OS(=O)(=O)Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2OS(=O)(=O)O)C" . "OS(=O)(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2OS(=O)(=O)O)C" . "VPLAJGAMHNQZIY-ZBRFXRBCSA-N" . "InChI=1S/C18H24O8S2/c1-18-9-8-14-13-5-3-12(25-27(19,20)21)10-11(13)2-4-15(14)16(18)6-7-17(18)26-28(22,23)24/h3,5,10,14-17H,2,4,6-9H2,1H3,(H,19,20,21)(H,22,23,24)/t14-,15-,16+,17+,18+/m1/s1" . "Fc1ccc(nc1)N1CCN(CC1)CC(=O)Nc1nc2c(s1)CCCC2" . "Fc1ccc(nc1)N1CCN(CC1)CC(=O)Nc1nc2c(s1)CCCC2" . "ORQHHLPTMSGMQT-UHFFFAOYSA-N" . "InChI=1S/C18H22FN5OS/c19-13-5-6-16(20-11-13)24-9-7-23(8-10-24)12-17(25)22-18-21-14-3-1-2-4-15(14)26-18/h5-6,11H,1-4,7-10,12H2,(H,21,22,25)" . "OCC(OC=O)CO" . "OCC(OC=O)CO" . "LDVVTQMJQSCDMK-UHFFFAOYSA-N" . "InChI=1S/C4H8O4/c5-1-4(2-6)8-3-7/h3-6H,1-2H2" . "Nc1ccc(cc1)SCC1COC(O1)(CCc1ccc(cc1)Cl)Cn1ccnc1" . "Nc1ccc(cc1)SC[C@@H]1CO[C@](O1)(CCc1ccc(cc1)Cl)Cn1ccnc1" . "VYNIUBZKEWJOJP-UNMCSNQZSA-N" . "InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m0/s1" . "CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)Cc1cccs1" . "CC(=O)OCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)Cc1cccs1" . "XIURVHNZVLADCM-IUODEOHRSA-N" . "InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1" . "Clc1ccc(c(c1)Cl)COc1c(cccc1C(=O)O)OCc1ccc(cc1Cl)Cl" . "Clc1ccc(c(c1)Cl)COc1c(cccc1C(=O)O)OCc1ccc(cc1Cl)Cl" . "RZFRHJXGOFXNIG-UHFFFAOYSA-N" . "InChI=1S/C21H14Cl4O4/c22-14-6-4-12(17(24)8-14)10-28-19-3-1-2-16(21(26)27)20(19)29-11-13-5-7-15(23)9-18(13)25/h1-9H,10-11H2,(H,26,27)" . "Fc1ccc2c(c1)cc([nH]2)C(=O)NCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2" . "Fc1ccc2c(c1)cc([nH]2)C(=O)NCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2" . "LHABRXRGDLASIH-UHFFFAOYSA-N" . "InChI=1S/C23H24FN5O2/c24-16-5-6-18-15(13-16)14-20(26-18)22(30)25-9-12-28-10-7-17(8-11-28)29-21-4-2-1-3-19(21)27-23(29)31/h1-6,13-14,17,26H,7-12H2,(H,25,30)(H,27,31)" . "O=c1nc[nH]c(c1)N1C(=O)N(C(=O)C21CCN(CC2)Cc1ncccc1C)c1ccc(cc1)c1ccc(cc1)c1[nH]ncc1" . "O=c1nc[nH]c(c1)N1C(=O)N(C(=O)C21CCN(CC2)Cc1ncccc1C)c1ccc(cc1)c1ccc(cc1)c1[nH]ncc1" . "COBUMZLYZWRZDS-UHFFFAOYSA-N" . "InChI=1S/C33H30N8O3/c1-22-3-2-15-34-28(22)20-39-17-13-33(14-18-39)31(43)40(32(44)41(33)29-19-30(42)36-21-35-29)26-10-8-24(9-11-26)23-4-6-25(7-5-23)27-12-16-37-38-27/h2-12,15-16,19,21H,13-14,17-18,20H2,1H3,(H,37,38)(H,35,36,42)" . "OC(=O)CCC=CCC1COC(OC1c1cccnc1)C(Oc1ccc(cc1)Br)(C)C" . "OC(=O)CCC=CCC1COC(OC1c1cccnc1)C(Oc1ccc(cc1)Br)(C)C" . "HCFZUTSDEMKXQB-UHFFFAOYSA-N" . "InChI=1S/C24H28BrNO5/c1-24(2,31-20-12-10-19(25)11-13-20)23-29-16-18(7-4-3-5-9-21(27)28)22(30-23)17-8-6-14-26-15-17/h3-4,6,8,10-15,18,22-23H,5,7,9,16H2,1-2H3,(H,27,28)" . "CCN(Cc1cccc(c1)OCCN(S(=O)(=O)c1cccs1)C)CC=CC#CC(C)(C)C" . "CCN(Cc1cccc(c1)OCCN(S(=O)(=O)c1cccs1)C)C/C=C/C#CC(C)(C)C" . "NEIYCJCCYGTVNA-VQHVLOKHSA-N" . "InChI=1S/C25H34N2O3S2/c1-6-27(16-9-7-8-15-25(2,3)4)21-22-12-10-13-23(20-22)30-18-17-26(5)32(28,29)24-14-11-19-31-24/h7,9-14,19-20H,6,16-18,21H2,1-5H3/b9-7+" . "CC1Cc2c(N1C(=O)Cc1nc(=O)cc([nH]1)N1CCOCC1)cccc2" . "C[C@H]1Cc2c(N1C(=O)Cc1nc(=O)cc([nH]1)N1CCOCC1)cccc2" . "UAXHPOBBKRWJGA-ZDUSSCGKSA-N" . "InChI=1S/C19H22N4O3/c1-13-10-14-4-2-3-5-15(14)23(13)19(25)11-16-20-17(12-18(24)21-16)22-6-8-26-9-7-22/h2-5,12-13H,6-11H2,1H3,(H,20,21,24)/t13-/m0/s1" . "O=C(N1CCC(CC1)c1ccccc1C(F)(F)F)Nc1ccccc1C(=O)O" . "O=C(N1CCC(CC1)c1ccccc1C(F)(F)F)Nc1ccccc1C(=O)O" . "MEAQCLPMSVEOQF-UHFFFAOYSA-N" . "InChI=1S/C20H19F3N2O3/c21-20(22,23)16-7-3-1-5-14(16)13-9-11-25(12-10-13)19(28)24-17-8-4-2-6-15(17)18(26)27/h1-8,13H,9-12H2,(H,24,28)(H,26,27)" . "CCOCc1c(cnn1c1ncc(c(n1)N1CCCCC1)C)C(=O)NCc1cncn1C" . "CCOCc1c(cnn1c1ncc(c(n1)N1CCCCC1)C)C(=O)NCc1cncn1C" . "ATOKVTDUHKZLMB-UHFFFAOYSA-N" . "InChI=1S/C22H30N8O2/c1-4-32-14-19-18(21(31)24-12-17-11-23-15-28(17)3)13-26-30(19)22-25-10-16(2)20(27-22)29-8-6-5-7-9-29/h10-11,13,15H,4-9,12,14H2,1-3H3,(H,24,31)" . "CCOC(=O)C(C(n1cncc1)c1ccc(cc1)Nc1ccc2c(c1)cccc2)(C)C" . "CCOC(=O)C(C(n1cncc1)c1ccc(cc1)Nc1ccc2c(c1)cccc2)(C)C" . "GJYCFJGZPVJOKR-UHFFFAOYSA-N" . "InChI=1S/C26H27N3O2/c1-4-31-25(30)26(2,3)24(29-16-15-27-18-29)20-10-12-22(13-11-20)28-23-14-9-19-7-5-6-8-21(19)17-23/h5-18,24,28H,4H2,1-3H3" . "Oc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1" . "Oc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1" . "RTIXKCRFFJGDFG-UHFFFAOYSA-N" . "InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H" . "Clc1ccc(cc1)n1nc(cc1c1cccs1)c1ccccc1c1cccc(c1)OC(C(=O)O)(C)C" . "Clc1ccc(cc1)n1nc(cc1c1cccs1)c1ccccc1c1cccc(c1)OC(C(=O)O)(C)C" . "HOACFVYJBHHSBC-UHFFFAOYSA-N" . "InChI=1S/C29H23ClN2O3S/c1-29(2,28(33)34)35-22-8-5-7-19(17-22)23-9-3-4-10-24(23)25-18-26(27-11-6-16-36-27)32(31-25)21-14-12-20(30)13-15-21/h3-18H,1-2H3,(H,33,34)" . "CCc1c(C(=O)C(=O)N)c2c(n1Cc1ccccc1)c1ccccc1cc2OCC(=O)O" . "CCc1c(C(=O)C(=O)N)c2c(n1Cc1ccccc1)c1ccccc1cc2OCC(=O)O" . "YLSSVFGTKZXLPA-UHFFFAOYSA-N" . "InChI=1S/C25H22N2O5/c1-2-18-21(24(30)25(26)31)22-19(32-14-20(28)29)12-16-10-6-7-11-17(16)23(22)27(18)13-15-8-4-3-5-9-15/h3-12H,2,13-14H2,1H3,(H2,26,31)(H,28,29)" . "Cc1noc(n1)C(c1onc(n1)C)(Cc1ccc(cc1)NS(=O)(=O)O)CCCc1ccccc1" . "Cc1noc(n1)C(c1onc(n1)C)(Cc1ccc(cc1)NS(=O)(=O)O)CCCc1ccccc1" . "MKLXYDUSWQDVEW-UHFFFAOYSA-N" . "InChI=1S/C23H25N5O5S/c1-16-24-21(32-26-16)23(22-25-17(2)27-33-22,14-6-9-18-7-4-3-5-8-18)15-19-10-12-20(13-11-19)28-34(29,30)31/h3-5,7-8,10-13,28H,6,9,14-15H2,1-2H3,(H,29,30,31)" . "Oc1ccc(c(c1)O)CCc1ccc(cc1O)O" . "Oc1ccc(c(c1)O)CCc1ccc(cc1O)O" . "WKIFTWPZTZUMRN-UHFFFAOYSA-N" . "InChI=1S/C14H14O4/c15-11-5-3-9(13(17)7-11)1-2-10-4-6-12(16)8-14(10)18/h3-8,15-18H,1-2H2" . "CN1CCC(CC1)CNc1ccc2n(n1)c(cn2)c1cccc(c1)OC(F)(F)F" . "CN1CCC(CC1)CNc1ccc2n(n1)c(cn2)c1cccc(c1)OC(F)(F)F" . "MHXGEROHKGDZGO-UHFFFAOYSA-N" . "InChI=1S/C20H22F3N5O/c1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23/h2-6,11,13-14H,7-10,12H2,1H3,(H,24,26)" . "CC(c1sc(c(n1)c1ccc(c(c1)NS(=O)(=O)c1c(F)cccc1F)F)c1ccnc(n1)Nc1ccc(nc1)N1CCOCC1)C" . "CC(c1sc(c(n1)c1ccc(c(c1)NS(=O)(=O)c1c(F)cccc1F)F)c1ccnc(n1)Nc1ccc(nc1)N1CCOCC1)C" . "KJUCPVIVNLPLEE-UHFFFAOYSA-N" . "InChI=1S/C31H28F3N7O3S2/c1-18(2)30-39-27(19-6-8-21(32)25(16-19)40-46(42,43)29-22(33)4-3-5-23(29)34)28(45-30)24-10-11-35-31(38-24)37-20-7-9-26(36-17-20)41-12-14-44-15-13-41/h3-11,16-18,40H,12-15H2,1-2H3,(H,35,37,38)" . "CC(NC(=O)c1ccc2c(c1)cccc2)CN1CCC(CC1)n1c(=O)[nH]c2c1ccc(c2)Cl" . "C[C@H](NC(=O)c1ccc2c(c1)cccc2)CN1CCC(CC1)n1c(=O)[nH]c2c1ccc(c2)Cl" . "DRIMIUYGTDAQOX-KRWDZBQOSA-N" . "InChI=1S/C26H27ClN4O2/c1-17(28-25(32)20-7-6-18-4-2-3-5-19(18)14-20)16-30-12-10-22(11-13-30)31-24-9-8-21(27)15-23(24)29-26(31)33/h2-9,14-15,17,22H,10-13,16H2,1H3,(H,28,32)(H,29,33)/t17-/m0/s1" . "O=c1[nH]c2c([nH]1)[nH]c(=O)[nH]c2=O" . "O=c1[nH]c2c([nH]1)[nH]c(=O)[nH]c2=O" . "LEHOTFFKMJEONL-UHFFFAOYSA-N" . "InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)" . "Clc1ccc(cc1)C(=O)COC(=O)c1ccc(cc1)NC(=O)c1cccc(c1)OCc1ccccc1" . "Clc1ccc(cc1)C(=O)COC(=O)c1ccc(cc1)NC(=O)c1cccc(c1)OCc1ccccc1" . "CYKYMBAFNWGXGM-UHFFFAOYSA-N" . "InChI=1S/C29H22ClNO5/c30-24-13-9-21(10-14-24)27(32)19-36-29(34)22-11-15-25(16-12-22)31-28(33)23-7-4-8-26(17-23)35-18-20-5-2-1-3-6-20/h1-17H,18-19H2,(H,31,33)" . "NC(=O)C1(CCN(CC1)c1ncc(s1)C(C(F)(F)F)(C(F)(F)F)O)c1cccc(c1)C(=O)O" . "NC(=O)C1(CCN(CC1)c1ncc(s1)C(C(F)(F)F)(C(F)(F)F)O)c1cccc(c1)C(=O)O" . "WNFAQVLTRONMFD-UHFFFAOYSA-N" . "InChI=1S/C19H17F6N3O4S/c20-18(21,22)17(32,19(23,24)25)12-9-27-15(33-12)28-6-4-16(5-7-28,14(26)31)11-3-1-2-10(8-11)13(29)30/h1-3,8-9,32H,4-7H2,(H2,26,31)(H,29,30)" . "O=C(c1ccc(s1)C(=O)OC(C)(C)C)NCCC1CCN(CC1)c1ncnc2c1sc(c2)C(=O)N" . "O=C(c1ccc(s1)C(=O)OC(C)(C)C)NCCC1CCN(CC1)c1ncnc2c1sc(c2)C(=O)N" . "XZEVSGANERUOOE-UHFFFAOYSA-N" . "InChI=1S/C24H29N5O4S2/c1-24(2,3)33-23(32)17-5-4-16(34-17)22(31)26-9-6-14-7-10-29(11-8-14)21-19-15(27-13-28-21)12-18(35-19)20(25)30/h4-5,12-14H,6-11H2,1-3H3,(H2,25,30)(H,26,31)" . "CCC(=O)N(c1cc(F)cc(c1)c1nn[nH]n1)Cc1ccc(cc1)OC(F)(F)F" . "CCC(=O)N(c1cc(F)cc(c1)c1nn[nH]n1)Cc1ccc(cc1)OC(F)(F)F" . "XQIZEBWLPMOVGN-UHFFFAOYSA-N" . "InChI=1S/C18H15F4N5O2/c1-2-16(28)27(10-11-3-5-15(6-4-11)29-18(20,21)22)14-8-12(7-13(19)9-14)17-23-25-26-24-17/h3-9H,2,10H2,1H3,(H,23,24,25,26)" . "CC1CC(C)OP(=O)(O1)c1c(C)nc(c(c1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)C" . "C[C@@H]1C[C@@H](C)OP(=O)(O1)c1c(C)nc(c(c1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)C" . "PFKHLXIJSNUZDT-KAYWLYCHSA-N" . "InChI=1S/C38H43N4O7P/c1-26-24-27(2)49-50(46,48-26)37-29(4)39-28(3)34(35(37)32-16-11-17-33(25-32)42(44)45)38(43)47-23-22-40-18-20-41(21-19-40)36(30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-17,25-27,36H,18-24H2,1-4H3/t26-,27-/m1/s1" . "Cc1ccccc1NS(=O)(=O)c1ccc(cc1)C1CCCCC1" . "Cc1ccccc1NS(=O)(=O)c1ccc(cc1)C1CCCCC1" . "STLMNZVBCJVQOZ-UHFFFAOYSA-N" . "InChI=1S/C19H23NO2S/c1-15-7-5-6-10-19(15)20-23(21,22)18-13-11-17(12-14-18)16-8-3-2-4-9-16/h5-7,10-14,16,20H,2-4,8-9H2,1H3" . "COCCCNc1nc(Nc2nc(c(s2)C(=O)N2CCN(CC2)c2ncccn2)c2ccccc2)nc(n1)OC" . "COCCCNc1nc(Nc2nc(c(s2)C(=O)N2CCN(CC2)c2ncccn2)c2ccccc2)nc(n1)OC" . "OIRCJRUZRVLDFA-UHFFFAOYSA-N" . "InChI=1S/C26H30N10O3S/c1-38-17-7-12-27-22-31-23(33-25(32-22)39-2)34-26-30-19(18-8-4-3-5-9-18)20(40-26)21(37)35-13-15-36(16-14-35)24-28-10-6-11-29-24/h3-6,8-11H,7,12-17H2,1-2H3,(H2,27,30,31,32,33,34)" . "CC(=O)NC(C(=O)N1CCCC1C(=O)NC(B(O)O)CCCN=C(N)N)Cc1ccccc1" . "CC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](B(O)O)CCCN=C(N)N)Cc1ccccc1" . "FXFYPTZERULUBS-SQNIBIBYSA-N" . "InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16-,17+,18+/m1/s1" . "[O-][N+](=O)NC(=NCCCC(C(=O)O)N)N" . "[O-][N+](=O)NC(=NCCC[C@@H](C(=O)O)N)N" . "MRAUNPAHJZDYCK-BYPYZUCNSA-N" . "InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1" . "CC(CC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccccc1)CCC(=O)O)C(O)C)CCC(=O)O)CCC(=O)O)CC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)Cc1ccccc1)Cc1ccccc1)C)CCC(=O)N)CC(C)C)CCC(=O)N)C " . "CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)O" . "LUWNQRCIIOOCLS-ITDBXDHNSA-N" . "InChI=1S/C86H124N18O28/c1-43(2)35-57(98-76(121)53(25-30-64(88)106)93-73(118)47(8)91-79(124)59(38-49-19-13-10-14-20-49)101-82(127)60(97-72(117)46(7)87)39-50-21-15-11-16-22-50)80(125)95-54(26-31-65(89)107)77(122)99-58(36-44(3)4)81(126)102-62(41-70(115)116)84(129)96-55(28-33-68(111)112)75(120)94-56(29-34-69(113)114)78(123)104-71(48(9)105)85(130)90-42-66(108)92-52(27-32-67(109)110)74(119)100-61(40-51-23-17-12-18-24-51)83(128)103-63(86(131)132)37-45(5)6/h10-24,43-48,52-63,71,105H,25-42,87H2,1-9H3,(H2,88,106)(H2,89,107)(H,90,130)(H,91,124)(H,92,108)(H,93,118)(H,94,120)(H,95,125)(H,96,129)(H,97,117)(H,98,121)(H,99,122)(H,100,119)(H,101,127)(H,102,126)(H,103,128)(H,104,123)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,131,132)/t46-,47-,48+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,71-/m0/s1" . "CCCCCCCCCCOc1ccc(cc1)OCC(=O)Cn1cc(c2c1ccc(c2)C(=O)O)C(=O)OC" . "CCCCCCCCCCOc1ccc(cc1)OCC(=O)Cn1cc(c2c1ccc(c2)C(=O)O)C(=O)OC" . "NXDZVUAKVFVDSL-UHFFFAOYSA-N" . "InChI=1S/C30H37NO7/c1-3-4-5-6-7-8-9-10-17-37-24-12-14-25(15-13-24)38-21-23(32)19-31-20-27(30(35)36-2)26-18-22(29(33)34)11-16-28(26)31/h11-16,18,20H,3-10,17,19,21H2,1-2H3,(H,33,34)" . "O=Cc1c(O)c2CC(Cc2c2c1CC(O)OC2=O)(C)C" . "O=Cc1c(O)c2CC(Cc2c2c1CC(O)OC2=O)(C)C" . "BDEDPKFUFGCVCJ-UHFFFAOYSA-N" . "InChI=1S/C15H16O5/c1-15(2)4-8-9(5-15)13(18)10(6-16)7-3-11(17)20-14(19)12(7)8/h6,11,17-18H,3-5H2,1-2H3" . "NCCc1nccs1" . "NCCc1nccs1" . "TWZOYAWHWDRMEZ-UHFFFAOYSA-N" . "InChI=1S/C5H8N2S/c6-2-1-5-7-3-4-8-5/h3-4H,1-2,6H2" . "O=C(c1ccc(cc1)N1CCOCC1)Nc1n[nH]c2c1sc(c2)C(=O)NC(c1ccccc1)CN1CCCC1" . "O=C(c1ccc(cc1)N1CCOCC1)Nc1n[nH]c2c1sc(c2)C(=O)N[C@@H](c1ccccc1)CN1CCCC1" . "ORWIYCURPDKSBI-XMMPIXPASA-N" . "InChI=1S/C29H32N6O3S/c36-28(21-8-10-22(11-9-21)35-14-16-38-17-15-35)31-27-26-23(32-33-27)18-25(39-26)29(37)30-24(19-34-12-4-5-13-34)20-6-2-1-3-7-20/h1-3,6-11,18,24H,4-5,12-17,19H2,(H,30,37)(H2,31,32,33,36)/t24-/m1/s1" . "CC(Nc1ncnc(c1)c1csc(n1)N(C(=O)c1ccc(cc1)F)C)C" . "CC(Nc1ncnc(c1)c1csc(n1)N(C(=O)c1ccc(cc1)F)C)C" . "WIVGIKIKQHUFOD-UHFFFAOYSA-N" . "InChI=1S/C18H18FN5OS/c1-11(2)22-16-8-14(20-10-21-16)15-9-26-18(23-15)24(3)17(25)12-4-6-13(19)7-5-12/h4-11H,1-3H3,(H,20,21,22)" . "O=C(NC(c1ccccc1)C)CNC(=O)c1cccc(c1)Cl" . "O=C(N[C@H](c1ccccc1)C)CNC(=O)c1cccc(c1)Cl" . "MWDVCHRYCKXEBY-LBPRGKRZSA-N" . "InChI=1S/C17H17ClN2O2/c1-12(13-6-3-2-4-7-13)20-16(21)11-19-17(22)14-8-5-9-15(18)10-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)/t12-/m0/s1" . "COc1ccc(cc1)C#Cc1ccc(c(c1)F)C(=O)N1CCCC(C1)O" . "COc1ccc(cc1)C#Cc1ccc(c(c1)F)C(=O)N1CCC[C@H](C1)O" . "QBCRLDPMQHPGIM-QGZVFWFLSA-N" . "InChI=1S/C21H20FNO3/c1-26-18-9-6-15(7-10-18)4-5-16-8-11-19(20(22)13-16)21(25)23-12-2-3-17(24)14-23/h6-11,13,17,24H,2-3,12,14H2,1H3/t17-/m1/s1" . "CCc1c(C(=O)C(=O)N)c2n(c1Cc1ccccc1Cc1ccccc1)cccc2OCC(=O)O" . "CCc1c(C(=O)C(=O)N)c2n(c1Cc1ccccc1Cc1ccccc1)cccc2OCC(=O)O" . "LNIJDTKDAASOIT-UHFFFAOYSA-N" . "InChI=1S/C28H26N2O5/c1-2-21-22(16-20-12-7-6-11-19(20)15-18-9-4-3-5-10-18)30-14-8-13-23(35-17-24(31)32)26(30)25(21)27(33)28(29)34/h3-14H,2,15-17H2,1H3,(H2,29,34)(H,31,32)" . "O=C1NCCc2c1cc([nH]2)c1ccncc1" . "O=C1NCCc2c1cc([nH]2)c1ccncc1" . "DKXHSOUZPMHNIZ-UHFFFAOYSA-N" . "InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)" . "COc1cccc2c1C(=O)c1c(O)c3C(O)CC(Cc3c(c1C2=O)O)(O)C(=O)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N" . "COc1cccc2c1C(=O)c1c(O)c3[C@@H](O)C[C@](Cc3c(c1C2=O)O)(O)C(=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N" . "LZWDZFWNTFSAGM-PGODJVSRSA-N" . "InChI=1S/C31H33N3O14S/c1-48-17-4-2-3-12-22(17)28(43)24-23(25(12)40)26(41)13-7-31(47,8-16(35)21(13)27(24)42)18(36)11-49-10-15(29(44)33-9-20(38)39)34-19(37)6-5-14(32)30(45)46/h2-4,14-16,35,41-42,47H,5-11,32H2,1H3,(H,33,44)(H,34,37)(H,38,39)(H,45,46)/t14-,15-,16-,31-/m0/s1" . "N#Cc1cc(F)cc(c1c1nc2c([nH]1)c1ccc(cc1c1c2ccc(c1)OCCC1CC1)CC(O)(C)C)C#N" . "N#Cc1cc(F)cc(c1c1nc2c([nH]1)c1ccc(cc1c1c2ccc(c1)OCCC1CC1)CC(O)(C)C)C#N" . "PYRKKGOKRMZEIT-UHFFFAOYSA-N" . "InChI=1S/C32H27FN4O2/c1-32(2,38)15-19-5-7-24-26(11-19)27-14-23(39-10-9-18-3-4-18)6-8-25(27)30-29(24)36-31(37-30)28-20(16-34)12-22(33)13-21(28)17-35/h5-8,11-14,18,38H,3-4,9-10,15H2,1-2H3,(H,36,37)" . "COc1cc(C)c2c(c1)c(CN1CCOCC1)c1c(n2)n[nH]c1C" . "COc1cc(C)c2c(c1)c(CN1CCOCC1)c1c(n2)n[nH]c1C" . "UBGXXNXAPLUDQK-UHFFFAOYSA-N" . "InChI=1S/C18H22N4O2/c1-11-8-13(23-3)9-14-15(10-22-4-6-24-7-5-22)16-12(2)20-21-18(16)19-17(11)14/h8-9H,4-7,10H2,1-3H3,(H,19,20,21)" . "COc1cc(C)c2c(c1)c(CN1CCOCCC1)c1c(n2)n[nH]c1C" . "COc1cc(C)c2c(c1)c(CN1CCOCCC1)c1c(n2)n[nH]c1C" . "IPHACPSYWWYGQN-UHFFFAOYSA-N" . "InChI=1S/C19H24N4O2/c1-12-9-14(24-3)10-15-16(11-23-5-4-7-25-8-6-23)17-13(2)21-22-19(17)20-18(12)15/h9-10H,4-8,11H2,1-3H3,(H,20,21,22)" . "NCc1ccc(s1)c1ccccc1" . "NCc1ccc(s1)c1ccccc1" . "PKRPFYKLLXGKDE-UHFFFAOYSA-N" . "InChI=1S/C11H11NS/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-7H,8,12H2" . "NCc1ccc(s1)c1cccnc1" . "NCc1ccc(s1)c1cccnc1" . "JHLIGYPHPBLDDL-UHFFFAOYSA-N" . "InChI=1S/C10H10N2S/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-5,7H,6,11H2" . "NCc1ccc(o1)c1cccnc1" . "NCc1ccc(o1)c1cccnc1" . "LENAVORGWBTPJR-UHFFFAOYSA-N" . "InChI=1S/C10H10N2O/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-5,7H,6,11H2" . "OC(=O)CCC(CCCc1cccnc1)CCCCNS(=O)(=O)c1ccc(cc1)F" . "OC(=O)CCC(CCCc1cccnc1)CCCCNS(=O)(=O)c1ccc(cc1)F" . "TYYCNSUODPEVQP-UHFFFAOYSA-N" . "InChI=1S/C22H29FN2O4S/c23-20-10-12-21(13-11-20)30(28,29)25-16-2-1-5-18(9-14-22(26)27)6-3-7-19-8-4-15-24-17-19/h4,8,10-13,15,17-18,25H,1-3,5-7,9,14,16H2,(H,26,27)" . "COc1cccc(c1O)CNc1ccc(cc1)S(=O)(=O)Nc1nc2c(s1)cccc2" . "COc1cccc(c1O)CNc1ccc(cc1)S(=O)(=O)Nc1nc2c(s1)cccc2" . "OWHBVKBNNRYMIN-UHFFFAOYSA-N" . "InChI=1S/C21H19N3O4S2/c1-28-18-7-4-5-14(20(18)25)13-22-15-9-11-16(12-10-15)30(26,27)24-21-23-17-6-2-3-8-19(17)29-21/h2-12,22,25H,13H2,1H3,(H,23,24)" . "COc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)c1cccc2c1cccc2" . "COc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)c1cccc2c1cccc2" . "PYNKKMZSVFDYAC-UHFFFAOYSA-N" . "InChI=1S/C24H18N2O4S/c1-28-19-13-11-18(12-14-19)23(27)29-15-4-5-16-31-24-26-25-22(30-24)21-10-6-8-17-7-2-3-9-20(17)21/h2-3,6-14H,15-16H2,1H3" . "Fc1cccc(c1)N1NC(=O)C(=C2C(=O)Nc3c2cccc3)C1=O" . "Fc1cccc(c1)N1NC(=O)/C(=C/2/C(=O)Nc3c2cccc3)/C1=O" . "CDNIIUJDSUXPEZ-YPKPFQOOSA-N" . "InChI=1S/C17H10FN3O3/c18-9-4-3-5-10(8-9)21-17(24)14(16(23)20-21)13-11-6-1-2-7-12(11)19-15(13)22/h1-8H,(H,19,22)(H,20,23)/b14-13-" . "COc1ccc(cc1)c1nc([nH]c1CCNS(=O)(=O)N(C1CCN(C1)C(c1ccc(cc1)F)C)CC)c1cccs1" . "COc1ccc(cc1)c1nc([nH]c1CCNS(=O)(=O)N([C@@H]1CCN(C1)C(c1ccc(cc1)F)C)CC)c1cccs1" . "YCOQGGMZWKBBGI-UIDYPRJRSA-N" . "InChI=1S/C30H36FN5O3S2/c1-4-36(25-16-18-35(20-25)21(2)22-7-11-24(31)12-8-22)41(37,38)32-17-15-27-29(23-9-13-26(39-3)14-10-23)34-30(33-27)28-6-5-19-40-28/h5-14,19,21,25,32H,4,15-18,20H2,1-3H3,(H,33,34)/t21?,25-/m1/s1" . "Cc1ccc2c(c1)[nH]c(n2)SCc1ccccn1" . "Cc1ccc2c(c1)[nH]c(n2)SCc1ccccn1" . "RRLQDVNNRUSNKR-UHFFFAOYSA-N" . "InChI=1S/C14H13N3S/c1-10-5-6-12-13(8-10)17-14(16-12)18-9-11-4-2-3-7-15-11/h2-8H,9H2,1H3,(H,16,17)" . "C#CCOc1cccc(c1)c1cc(=O)c2c(o1)cccc2O" . "C#CCOc1cccc(c1)c1cc(=O)c2c(o1)cccc2O" . "OCMGAXUTMOJVBQ-UHFFFAOYSA-N" . "InChI=1S/C18H12O4/c1-2-9-21-13-6-3-5-12(10-13)17-11-15(20)18-14(19)7-4-8-16(18)22-17/h1,3-8,10-11,19H,9H2" . "CCCc1oc2ccccc2c(=O)c1C(=O)c1cc(I)c(c(c1)I)O" . "CCCc1oc2ccccc2c(=O)c1C(=O)c1cc(I)c(c(c1)I)O" . "UQTXCTDQSVOMGL-UHFFFAOYSA-N" . "InChI=1S/C19H14I2O4/c1-2-5-15-16(18(23)11-6-3-4-7-14(11)25-15)17(22)10-8-12(20)19(24)13(21)9-10/h3-4,6-9,24H,2,5H2,1H3" . "COC(=O)C1=COC(C2C1CC1N(C2)CCc2c1[nH]c1c2cccc1)C" . "COC(=O)C1=CO[C@H]([C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1)C" . "GRTOGORTSDXSFK-XJTZBENFSA-N" . "InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16+,19-/m0/s1" . "O=C1NC(=O)C(=Cc2ccc(c(c2)Cl)OCCC2CCCCC2)S1" . "O=C1NC(=O)/C(=C/c2ccc(c(c2)Cl)OCCC2CCCCC2)/S1" . "DBBGLVJTGXKCHY-WJDWOHSUSA-N" . "InChI=1S/C18H20ClNO3S/c19-14-10-13(11-16-17(21)20-18(22)24-16)6-7-15(14)23-9-8-12-4-2-1-3-5-12/h6-7,10-12H,1-5,8-9H2,(H,20,21,22)/b16-11-" . "OC(=O)c1ccnc(c1)C(=O)O" . "OC(=O)c1ccnc(c1)C(=O)O" . "MJIVRKPEXXHNJT-UHFFFAOYSA-N" . "InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)" . "NC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCCCCC1" . "NC(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCCCCC1" . "YKPDLYPZCGMXBO-UHFFFAOYSA-N" . "InChI=1S/C19H21N3O2S/c20-16-15-14(13-9-6-10-24-13)11-7-4-2-1-3-5-8-12(11)22-19(15)25-17(16)18(21)23/h6,9-10H,1-5,7-8,20H2,(H2,21,23)" . "CNC(=O)c1ccccc1Nc1cc(ncc1C(F)(F)F)Nc1ccc(cc1OC)N1CCOCC1" . "CNC(=O)c1ccccc1Nc1cc(ncc1C(F)(F)F)Nc1ccc(cc1OC)N1CCOCC1" . "IGUBBWJDMLCRIK-UHFFFAOYSA-N" . "InChI=1S/C25H26F3N5O3/c1-29-24(34)17-5-3-4-6-19(17)31-21-14-23(30-15-18(21)25(26,27)28)32-20-8-7-16(13-22(20)35-2)33-9-11-36-12-10-33/h3-8,13-15H,9-12H2,1-2H3,(H,29,34)(H2,30,31,32)" . "Oc1ccc(cc1)C=Cc1cc(O)cc(c1)O" . "Oc1ccc(cc1)/C=C/c1cc(O)cc(c1)O" . "LUKBXSAWLPMMSZ-OWOJBTEDSA-N" . "InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+" . "COC(=O)N1CCN(CC1)Cc1cccc(c1F)NC(=O)Nc1ccc(nc1)C" . "COC(=O)N1CCN(CC1)Cc1cccc(c1F)NC(=O)Nc1ccc(nc1)C" . "RFUBTTPMWSKEIW-UHFFFAOYSA-N" . "InChI=1S/C20H24FN5O3/c1-14-6-7-16(12-22-14)23-19(27)24-17-5-3-4-15(18(17)21)13-25-8-10-26(11-9-25)20(28)29-2/h3-7,12H,8-11,13H2,1-2H3,(H2,23,24,27)" . "Fc1ccc2c(c1)[nH]cc2CCNCc1cccc(c1)OCC(C(F)F)(F)F" . "Fc1ccc2c(c1)[nH]cc2CCNCc1cccc(c1)OCC(C(F)F)(F)F" . "YBAWYTYNMZWMMJ-UHFFFAOYSA-N" . "InChI=1S/C20H19F5N2O/c21-15-4-5-17-14(11-27-18(17)9-15)6-7-26-10-13-2-1-3-16(8-13)28-12-20(24,25)19(22)23/h1-5,8-9,11,19,26-27H,6-7,10,12H2" . "COCC(C(=O)NC(C(=O)C1(C)OC1)Cc1ccccc1)NC(=O)C(NC(=O)c1cnc(s1)C)COC" . "COC[C@@H](C(=O)N[C@H](C(=O)[C@]1(C)OC1)Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cnc(s1)C)COC" . "SWZXEVABPLUDIO-WSZYKNRRSA-N" . "InChI=1S/C25H32N4O7S/c1-15-26-11-20(37-15)24(33)29-19(13-35-4)23(32)28-18(12-34-3)22(31)27-17(21(30)25(2)14-36-25)10-16-8-6-5-7-9-16/h5-9,11,17-19H,10,12-14H2,1-4H3,(H,27,31)(H,28,32)(H,29,33)/t17-,18-,19-,25+/m0/s1" . "O=C(C(N)C)Nc1cccc(n1)N" . "O=C([C@@H](N)C)Nc1cccc(n1)N" . "LRIKRUHIPRIMEM-YFKPBYRVSA-N" . "InChI=1S/C8H12N4O/c1-5(9)8(13)12-7-4-2-3-6(10)11-7/h2-5H,9H2,1H3,(H3,10,11,12,13)/t5-/m0/s1" . "O=C(Nc1cccc(c1)F)NCc1ccc(c(c1)NC(=O)c1cnc2n1cccc2)C" . "O=C(Nc1cccc(c1)F)NCc1ccc(c(c1)NC(=O)c1cnc2n1cccc2)C" . "ZPVUIOVIUFJGHO-UHFFFAOYSA-N" . "InChI=1S/C23H20FN5O2/c1-15-8-9-16(13-26-23(31)27-18-6-4-5-17(24)12-18)11-19(15)28-22(30)20-14-25-21-7-2-3-10-29(20)21/h2-12,14H,13H2,1H3,(H,28,30)(H2,26,27,31)" . "O=c1[nH]c2c(nccc2cc1C)NC1CCNCC1OCC1CCS(=O)(=O)CC1" . "O=c1[nH]c2c(nccc2cc1C)N[C@@H]1CCNC[C@H]1OCC1CCS(=O)(=O)CC1" . "IMRGYBMGTASFSC-IAGOWNOFSA-N" . "InChI=1S/C20H28N4O4S/c1-13-10-15-2-7-22-19(18(15)24-20(13)25)23-16-3-6-21-11-17(16)28-12-14-4-8-29(26,27)9-5-14/h2,7,10,14,16-17,21H,3-6,8-9,11-12H2,1H3,(H,22,23)(H,24,25)/t16-,17-/m1/s1" . "COCCCN1Cc2c(C1=O)c(ccc2)C(=O)N" . "COCCCN1Cc2c(C1=O)c(ccc2)C(=O)N" . "VARCSQSOWLMGTH-UHFFFAOYSA-N" . "InChI=1S/C13H16N2O3/c1-18-7-3-6-15-8-9-4-2-5-10(12(14)16)11(9)13(15)17/h2,4-5H,3,6-8H2,1H3,(H2,14,16)" . "Brc1ccc(s1)C=C1C(=O)NC(=S)N(C1=O)C" . "Brc1ccc(s1)/C=C/1/C(=O)NC(=S)N(C1=O)C" . "DHXHBTASCMMTSD-XQRVVYSFSA-N" . "InChI=1S/C10H7BrN2O2S2/c1-13-9(15)6(8(14)12-10(13)16)4-5-2-3-7(11)17-5/h2-4H,1H3,(H,12,14,16)/b6-4-" . "N#CC(=Cc1c(Oc2ccc(cc2)F)nc2n(c1=O)cccc2C)c1nc2c(s1)cccc2" . "N#C/C(=C/c1c(Oc2ccc(cc2)F)nc2n(c1=O)cccc2C)/c1nc2c(s1)cccc2" . "IPZHFKHGSYRBNT-DTQAZKPQSA-N" . "InChI=1S/C25H15FN4O2S/c1-15-5-4-12-30-22(15)29-23(32-18-10-8-17(26)9-11-18)19(25(30)31)13-16(14-27)24-28-20-6-2-3-7-21(20)33-24/h2-13H,1H3/b16-13+" . "N#CC(=Cc1c(Oc2cccc(c2)C)nc2n(c1=O)cccc2C)c1nc2c(s1)cccc2" . "N#C/C(=C/c1c(Oc2cccc(c2)C)nc2n(c1=O)cccc2C)/c1nc2c(s1)cccc2" . "VFSVKVQMZDJFQX-NBVRZTHBSA-N" . "InChI=1S/C26H18N4O2S/c1-16-7-5-9-19(13-16)32-24-20(26(31)30-12-6-8-17(2)23(30)29-24)14-18(15-27)25-28-21-10-3-4-11-22(21)33-25/h3-14H,1-2H3/b18-14+" . "COS(=NS(=O)(=O)c1ccc(cc1)Cl)c1ccc(cc1)[N+](=O)[O-]" . "CO/S(=N/S(=O)(=O)c1ccc(cc1)Cl)/c1ccc(cc1)[N+](=O)[O-]" . "GIFNUYPIOIDEGE-UHFFFAOYSA-N" . "InChI=1S/C13H11ClN2O5S2/c1-21-22(12-6-4-11(5-7-12)16(17)18)15-23(19,20)13-8-2-10(14)3-9-13/h2-9H,1H3" . "Clc1cnc2c(c1)c(c[nH]2)Cc1ccc(nc1)NCc1ccc(nc1)C(F)(F)F" . "Clc1cnc2c(c1)c(c[nH]2)Cc1ccc(nc1)NCc1ccc(nc1)C(F)(F)F" . "JGWRKYUXBBNENE-UHFFFAOYSA-N" . "InChI=1S/C20H15ClF3N5/c21-15-6-16-14(10-28-19(16)29-11-15)5-12-2-4-18(26-7-12)27-9-13-1-3-17(25-8-13)20(22,23)24/h1-4,6-8,10-11H,5,9H2,(H,26,27)(H,28,29)" . "ClCC1(CCl)C(=C)C2(C(C1(Cl)C(C2Cl)Cl)(Cl)Cl)Cl" . "ClCC1(CCl)C(=C)C2(C(C1(Cl)C(C2Cl)Cl)(Cl)Cl)Cl" . "OEJNXTAZZBRGDN-UHFFFAOYSA-N" . "InChI=1S/C10H8Cl8/c1-4-7(2-11,3-12)9(16)6(14)5(13)8(4,15)10(9,17)18/h5-6H,1-3H2" . "OCCNC1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C" . "OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C" . "XRVDGNKRPOAQTN-FQEVSTJZSA-N" . "InChI=1S/C23H24N4O3/c1-14(2)29-21-9-6-15(12-16(21)13-24)23-26-22(27-30-23)19-5-3-4-18-17(19)7-8-20(18)25-10-11-28/h3-6,9,12,14,20,25,28H,7-8,10-11H2,1-2H3/t20-/m0/s1" . "COc1cc(ccc1N1CCC(CC1)N1CCN(CC1)C)Nc1nc(NC2CCOCC2)c(nc1C(=O)N)CC" . "COc1cc(ccc1N1CCC(CC1)N1CCN(CC1)C)Nc1nc(NC2CCOCC2)c(nc1C(=O)N)CC" . "GYQYAJJFPNQOOW-UHFFFAOYSA-N" . "InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)" . "COc1cc2c(cc1OC)CCN1C2CC(=O)C(C1)CC(C)C" . "CC(C[C@@H]1CN2CCc3c([C@H]2CC1=O)cc(c(c3)OC([2H])([2H])[2H])OC([2H])([2H])[2H])C" . "MKJIEFSOBYUXJB-VFJJUKLQSA-N" . "InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3/t14-,16-/m1/s1/i3D3,4D3" . "N#CCCC#Cc1ccc(cc1)c1c(CO)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCOCC1" . "N#CCCC#Cc1ccc(cc1)c1c(CO)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCOCC1" . "VQXIVPLXEIZJTH-UHFFFAOYSA-N" . "InChI=1S/C26H23Cl2N5O3/c27-20-9-10-23(22(28)16-20)33-25(19-7-5-18(6-8-19)4-2-1-3-11-29)21(17-34)24(30-33)26(35)31-32-12-14-36-15-13-32/h5-10,16,34H,1,3,12-15,17H2,(H,31,35)" . "CCc1c(nn(c1c1ccc(s1)C#Cc1ccc(cc1)C(F)(F)F)c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1" . "CCc1c(nn(c1c1ccc(s1)C#Cc1ccc(cc1)C(F)(F)F)c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1" . "VQOCBFYUDSBDCZ-UHFFFAOYSA-N" . "InChI=1S/C30H25Cl2F3N4OS/c1-2-23-27(29(40)37-38-16-4-3-5-17-38)36-39(25-14-11-21(31)18-24(25)32)28(23)26-15-13-22(41-26)12-8-19-6-9-20(10-7-19)30(33,34)35/h6-7,9-11,13-15,18H,2-5,16-17H2,1H3,(H,37,40)" . "CCN(C(=O)Cn1c2nc(ncc2n(c1=O)C)c1ccccc1)Cc1ccccc1" . "CCN(C(=O)Cn1c2nc(ncc2n(c1=O)C)c1ccccc1)Cc1ccccc1" . "NBMBIEOUVBHEBM-UHFFFAOYSA-N" . "InChI=1S/C23H23N5O2/c1-3-27(15-17-10-6-4-7-11-17)20(29)16-28-22-19(26(2)23(28)30)14-24-21(25-22)18-12-8-5-9-13-18/h4-14H,3,15-16H2,1-2H3" . "CCC(N(C(=O)c1cc2ccccc2c(n1)c1ccccc1Cl)C)C" . "CCC(N(C(=O)c1cc2ccccc2c(n1)c1ccccc1Cl)C)C" . "RAVIZVQZGXBOQO-UHFFFAOYSA-N" . "InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3" . "CN1CCN(CC1)C(=O)C1=C(c2ccccc2)c2c(C1C)ccc(c2)[N+](=O)[O-]" . "CN1CCN(CC1)C(=O)C1=C(c2ccccc2)c2c(C1C)ccc(c2)[N+](=O)[O-]" . "BBPOBHFPZPRPGB-UHFFFAOYSA-N" . "InChI=1S/C22H23N3O3/c1-15-18-9-8-17(25(27)28)14-19(18)21(16-6-4-3-5-7-16)20(15)22(26)24-12-10-23(2)11-13-24/h3-9,14-15H,10-13H2,1-2H3" . "O=C(C(C)C)OC1CC2(C)OC(CC2O)(C(CC2C1C(=C)C(=O)O2)C)O" . "O=C(C(C)C)O[C@@H]1C[C@@]2(C)O[C@](C[C@@H]2O)([C@H](C[C@@H]2[C@@H]1C(=C)C(=O)O2)C)O" . "HREHFPZHVCNOMQ-XNNFIIJVSA-N" . "InChI=1S/C19H28O7/c1-9(2)16(21)25-13-7-18(5)14(20)8-19(23,26-18)10(3)6-12-15(13)11(4)17(22)24-12/h9-10,12-15,20,23H,4,6-8H2,1-3,5H3/t10-,12+,13+,14-,15-,18+,19+/m0/s1" . "O=C(C(C)C)OC1CC2(C)CCC(O2)(C(CC2C1C(=C)C(=O)O2)C)O" . "O=C(C(C)C)O[C@@H]1C[C@]2(C)CC[C@@](O2)([C@H](C[C@@H]2[C@@H]1C(=C)C(=O)O2)C)O" . "VKWNXJLVNFOOOS-QNIDSSLUSA-N" . "InChI=1S/C19H28O6/c1-10(2)16(20)24-14-9-18(5)6-7-19(22,25-18)11(3)8-13-15(14)12(4)17(21)23-13/h10-11,13-15,22H,4,6-9H2,1-3,5H3/t11-,13+,14+,15-,18-,19+/m0/s1" . "Fc1ccc(nc1)C(=O)Nc1ccc(c(c1)C1(C)N=C(N)N(S(=O)(=O)C1)C)F" . "Fc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@@]1(C)N=C(N)N(S(=O)(=O)C1)C)F" . "YHYKUSGACIYRML-KRWDZBQOSA-N" . "InChI=1S/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1" . "CC#Cc1cncc(c1)c1cc(c(s1)C1(C)CC(=O)N(C(=N1)N)C)Cl" . "CC#Cc1cncc(c1)c1cc(c(s1)[C@]1(C)CC(=O)N(C(=N1)N)C)Cl" . "IJYPXSRDUPWKPB-SFHVURJKSA-N" . "InChI=1S/C18H17ClN4OS/c1-4-5-11-6-12(10-21-9-11)14-7-13(19)16(25-14)18(2)8-15(24)23(3)17(20)22-18/h6-7,9-10H,8H2,1-3H3,(H2,20,22)/t18-/m0/s1" . "OCC1OC(CC1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F" . "OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F" . "VSQQQLOSPVPRAZ-RRKCRQDMSA-N" . "InChI=1S/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)/t5-,6+,7+/m0/s1" . "O=c1[nH]c(CN2CCCC2=N)c(c(=O)[nH]1)Cl" . "O=c1[nH]c(CN2CCCC2=N)c(c(=O)[nH]1)Cl" . "QQHMKNYGKVVGCZ-UHFFFAOYSA-N" . "InChI=1S/C9H11ClN4O2/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11/h11H,1-4H2,(H2,12,13,15,16)" . "BrCCNP(=O)(NCCBr)OCc1cnc(n1C)[N+](=O)[O-]" . "BrCCNP(=O)(NCCBr)OCc1cnc(n1C)[N+](=O)[O-]" . "UGJWRPJDTDGERK-UHFFFAOYSA-N" . "InChI=1S/C9H16Br2N5O4P/c1-15-8(6-12-9(15)16(17)18)7-20-21(19,13-4-2-10)14-5-3-11/h6H,2-5,7H2,1H3,(H2,13,14,19)" . "COc1cc2c(cc1OC)CCN1C2CC(OC(=O)C(C(C)C)N)C(C1)CC(C)C" . "COc1cc2c(cc1OC)CCN1[C@@H]2C[C@@H](OC(=O)[C@H](C(C)C)N)[C@@H](C1)CC(C)C" . "GEJDGVNQKABXKG-CFKGEZKQSA-N" . "InChI=1S/C24H38N2O4/c1-14(2)9-17-13-26-8-7-16-10-21(28-5)22(29-6)11-18(16)19(26)12-20(17)30-24(27)23(25)15(3)4/h10-11,14-15,17,19-20,23H,7-9,12-13,25H2,1-6H3/t17-,19-,20-,23+/m1/s1" . "CCCCN(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)Cc1cc(Cl)c(c(c1)Cl)O" . "CCCCN(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)Cc1cc(Cl)c(c(c1)Cl)O" . "TYYLMKBOWXDDCT-UHFFFAOYSA-N" . "InChI=1S/C20H19Cl2F6NO2/c1-2-3-8-29(11-12-9-15(21)17(30)16(22)10-12)14-6-4-13(5-7-14)18(31,19(23,24)25)20(26,27)28/h4-7,9-10,30-31H,2-3,8,11H2,1H3" . "CCOC(=O)c1ccc(o1)CN(S(=O)(=O)c1c(C)cc(cc1C)C)Cc1ccc(cc1)c1cccc(c1)S(=O)(=O)C" . "CCOC(=O)c1ccc(o1)CN(S(=O)(=O)c1c(C)cc(cc1C)C)Cc1ccc(cc1)c1cccc(c1)S(=O)(=O)C" . "HDZWHJYZJWLTAG-UHFFFAOYSA-N" . "InChI=1S/C31H33NO7S2/c1-6-38-31(33)29-15-14-27(39-29)20-32(41(36,37)30-22(3)16-21(2)17-23(30)4)19-24-10-12-25(13-11-24)26-8-7-9-28(18-26)40(5,34)35/h7-18H,6,19-20H2,1-5H3" . "Cc1cc(C)c(c(c1)C)S(=O)(=O)N(Cc1ccc(o1)C(F)(F)F)Cc1ccc(cc1)c1cccc(c1)S(=O)(=O)C" . "Cc1cc(C)c(c(c1)C)S(=O)(=O)N(Cc1ccc(o1)C(F)(F)F)Cc1ccc(cc1)c1cccc(c1)S(=O)(=O)C" . "PSOXOVKYGWBTPB-UHFFFAOYSA-N" . "InChI=1S/C29H28F3NO5S2/c1-19-14-20(2)28(21(3)15-19)40(36,37)33(18-25-12-13-27(38-25)29(30,31)32)17-22-8-10-23(11-9-22)24-6-5-7-26(16-24)39(4,34)35/h5-16H,17-18H2,1-4H3" . "Cc1cccc(c1)CNCC(C(NC(=O)C1=Cc2ccccc2Oc2c1cccc2)Cc1ccccc1)O" . "Cc1cccc(c1)CNC[C@H]([C@@H](NC(=O)C1=Cc2ccccc2Oc2c1cccc2)Cc1ccccc1)O" . "BNWZCXDHHPBQOX-XZWHSSHBSA-N" . "InChI=1S/C33H32N2O3/c1-23-10-9-13-25(18-23)21-34-22-30(36)29(19-24-11-3-2-4-12-24)35-33(37)28-20-26-14-5-7-16-31(26)38-32-17-8-6-15-27(28)32/h2-18,20,29-30,34,36H,19,21-22H2,1H3,(H,35,37)/t29-,30+/m0/s1" . "CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F" . "CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cn[nH]2)Cc1ccccc1C(F)(F)F" . "FJPQEOQGIZSLES-UHFFFAOYSA-N" . "InChI=1S/C23H25F3N4O3S/c1-2-29(15-17-5-3-4-6-20(17)23(24,25)26)22(31)16-9-11-30(12-10-16)34(32,33)19-7-8-21-18(13-19)14-27-28-21/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,27,28)" . "ClCC(=N)NCCCC(C(=O)N)NC(=O)c1ccccc1" . "ClCC(=N)NCCC[C@@H](C(=O)N)NC(=O)c1ccccc1" . "BPWATVWOHQZVRP-NSHDSACASA-N" . "InChI=1S/C14H19ClN4O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21)/t11-/m0/s1" . "ClCC(NCCCC1NC(=O)N(C1O)Cc1cccc(c1)c1ccccc1Cl)N" . "ClCC(NCCCC1NC(=O)N(C1O)Cc1cccc(c1)c1ccccc1Cl)N" . "TXEBWPPWSVMYOA-UHFFFAOYSA-N" . "InChI=1S/C21H26Cl2N4O2/c22-12-19(24)25-10-4-9-18-20(28)27(21(29)26-18)13-14-5-3-6-15(11-14)16-7-1-2-8-17(16)23/h1-3,5-8,11,18-20,25,28H,4,9-10,12-13,24H2,(H,26,29)" . "COC1=C(OC)C=CC(=c2c(N)c([nH]c(c2C)C(=O)O)c2ccc3c(n2)C(=O)C(=C(C3=O)OC)N)C1=O" . "COC1=C(OC)C=C/C(=c/2/c(N)c([nH]c(c2C)C(=O)O)c2ccc3c(n2)C(=O)C(=C(C3=O)OC)N)/C1=O" . "DLWOTOMWYCRPLK-UVTDQMKNSA-N" . "InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,29H,26-27H2,1-4H3,(H,33,34)/b14-10-" . "NC1=CC(=O)c2c(C1=O)nc(cc2)c1ccccn1" . "NC1=CC(=O)c2c(C1=O)nc(cc2)c1ccccn1" . "UMMNKCUSQIKSGP-UHFFFAOYSA-N" . "InChI=1S/C14H9N3O2/c15-9-7-12(18)8-4-5-11(17-13(8)14(9)19)10-3-1-2-6-16-10/h1-7H,15H2" . "O=c1[nH]c2ccccc2c(=O)n1c1c2ccccc2cc2c1cccc2" . "O=c1[nH]c2ccccc2c(=O)n1c1c2ccccc2cc2c1cccc2" . "SISSLRJYACXIQF-UHFFFAOYSA-N" . "InChI=1S/C22H14N2O2/c25-21-18-11-5-6-12-19(18)23-22(26)24(21)20-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)20/h1-13H,(H,23,26)" . "NC(=NCCCC(C(=O)N1CCCC1C(=O)NCc1ccc(cc1)C(=N)N)NS(=O)(=O)Cc1ccccc1)N" . "NC(=NCCC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(=N)N)NS(=O)(=O)Cc1ccccc1)N" . "QKFCYPKTTJCUSZ-YADHBBJMSA-N" . "InChI=1S/C26H36N8O4S/c27-23(28)20-12-10-18(11-13-20)16-32-24(35)22-9-5-15-34(22)25(36)21(8-4-14-31-26(29)30)33-39(37,38)17-19-6-2-1-3-7-19/h1-3,6-7,10-13,21-22,33H,4-5,8-9,14-17H2,(H3,27,28)(H,32,35)(H4,29,30,31)/t21-,22+/m1/s1" . "COCCO[C@@H]1[C@H](OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=S)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=S)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=S)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=S)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)OCCOC)n2cc(C)c(=O)[nH]c2=O)O)OCCOC)n2cnc3c2ncnc3N)O)OCCOC)n2cc(C)c(=O)[nH]c2=O)O)OCCOC)n2cc(C)c(=O)[nH]c2=O)O)OCCOC)n2cc(C)c(=O)[nH]c2=O)O)n2cc(C)c(nc2=O)N)O)n2cnc3c2nc(N)[nH]c3=O)O)n2cnc3c2ncnc3N)O)n2cc(C)c(nc2=O)N)O)n2cc(C)c(nc2=O)N)O)n2cc(C)c(=O)[nH]c2=O)O)n2cnc3c2nc(N)[nH]c3=O)O)n2cc(C)c(=O)[nH]c2=O)O)n2cc(C)c(=O)[nH]c2=O)O)n2cc(C)c(nc2=O)N)O)[C@H](O[C@H]1n1cc(C)c(=O)[nH]c1=O)COP(=S)(O[C@@H]1[C@@H](COP(=S)(O[C@@H]2[C@@H](COP(=S)(O[C@@H]3[C@@H](COP(=S)(O[C@@H]4[C@@H](CO)O[C@H]([C@@H]4OCCOC)n4cnc5c4ncnc5N)O)O[C@H]([C@@H]3OCCOC)n3cnc4c3nc(N)[nH]c4=O)O)O[C@H]([C@@H]2OCCOC)n2cc(C)c(nc2=O)N)O)O[C@H]([C@@H]1OCCOC)n1cc(C)c(=O)[nH]c1=O)O" . "COCCO[C@@H]1[C@H](OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H](C[C@@H]2OP(=S)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=S)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=S)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=S)(OC[C@H]2O[C@H]([C@@H]([C@@H]2OP(=S)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)OCCOC)n2cc(C)c(=O)[nH]c2=O)O)OCCOC)n2cnc3c2ncnc3N)O)OCCOC)n2cc(C)c(=O)[nH]c2=O)O)OCCOC)n2cc(C)c(=O)[nH]c2=O)O)OCCOC)n2cc(C)c(=O)[nH]c2=O)O)n2cc(C)c(nc2=O)N)O)n2cnc3c2nc(N)[nH]c3=O)O)n2cnc3c2ncnc3N)O)n2cc(C)c(nc2=O)N)O)n2cc(C)c(nc2=O)N)O)n2cc(C)c(=O)[nH]c2=O)O)n2cnc3c2nc(N)[nH]c3=O)O)n2cc(C)c(=O)[nH]c2=O)O)n2cc(C)c(=O)[nH]c2=O)O)n2cc(C)c(nc2=O)N)O)[C@H](O[C@H]1n1cc(C)c(=O)[nH]c1=O)COP(=S)(O[C@@H]1[C@@H](COP(=S)(O[C@@H]2[C@@H](COP(=S)(O[C@@H]3[C@@H](COP(=S)(O[C@@H]4[C@@H](CO)O[C@H]([C@@H]4OCCOC)n4cnc5c4ncnc5N)O)O[C@H]([C@@H]3OCCOC)n3cnc4c3nc(N)[nH]c4=O)O)O[C@H]([C@@H]2OCCOC)n2cc(C)c(nc2=O)N)O)O[C@H]([C@@H]1OCCOC)n1cc(C)c(=O)[nH]c1=O)O" . "IJUQCWMZCMFFJP-GQSLRNSLSA-N" . "ONC(=O)C(N1CCC(C1=O)(C)c1ccc(cc1)OCc1cc(C)nc2c1cccc2)C" . "ONC(=O)[C@H](N1CC[C@@](C1=O)(C)c1ccc(cc1)OCc1cc(C)nc2c1cccc2)C" . "YDMIPBHQKFOFQW-NSYGIPOTSA-N" . "InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1" . "ONC(=O)C1CC2(CC2)CN(C1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)OC" . "ONC(=O)[C@H]1CC2(CC2)CN([C@@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)OC" . "CKZHFOKQZRZCPF-ROUUACIJSA-N" . "InChI=1S/C22H27N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,29H,8-14H2,1H3,(H,23,26)/t17-,18-/m0/s1" . "CCOc1ncc(c2c1C(C(=C(N2)C)C(=O)N)c1ccc(cc1OC)C#N)C" . "CCOc1ncc(c2c1[C@@H](C(=C(N2)C)C(=O)N)c1ccc(cc1OC)C#N)C" . "BTBHLEZXCOBLCY-QGZVFWFLSA-N" . "InChI=1S/C21H22N4O3/c1-5-28-21-18-17(14-7-6-13(9-22)8-15(14)27-4)16(20(23)26)12(3)25-19(18)11(2)10-24-21/h6-8,10,17,25H,5H2,1-4H3,(H2,23,26)/t17-/m1/s1" . "OC(C(=O)NCCC(C)C)C(Cc1ccccc1)N" . "O[C@H](C(=O)NCCC(C)C)[C@@H](Cc1ccccc1)N" . "WABAJXKDQWZIOJ-KGLIPLIRSA-N" . "InChI=1S/C15H24N2O2/c1-11(2)8-9-17-15(19)14(18)13(16)10-12-6-4-3-5-7-12/h3-7,11,13-14,18H,8-10,16H2,1-2H3,(H,17,19)/t13-,14+/m1/s1" . "SCC(C(=O)O)Cc1ccccc1" . "SC[C@H](C(=O)O)Cc1ccccc1" . "ZUEBVBPVXLQMQR-SECBINFHSA-N" . "InChI=1S/C10H12O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)/t9-/m1/s1" . "SCC(C(=O)O)CSCCN=C(N)N" . "SCC(C(=O)O)CSCCN=C(N)N" . "AKPKWZRKZOAAAZ-UHFFFAOYSA-N" . "InChI=1S/C7H15N3O2S2/c8-7(9)10-1-2-14-4-5(3-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)" . "N#Cc1ccc(n1C)c1cc(F)c2c(c1)C(C)(C)C(=O)N2" . "N#Cc1ccc(n1C)c1cc(F)c2c(c1)C(C)(C)C(=O)N2" . "KIOOLNRTWPFVHX-UHFFFAOYSA-N" . "InChI=1S/C16H14FN3O/c1-16(2)11-6-9(7-12(17)14(11)19-15(16)21)13-5-4-10(8-18)20(13)3/h4-7H,1-3H3,(H,19,21)" . "ONC(=O)CC1(CCNCC1)NC(=O)c1ccc(cc1)OCc1cc(C)nc2c1cccc2" . "ONC(=O)CC1(CCNCC1)NC(=O)c1ccc(cc1)OCc1cc(C)nc2c1cccc2" . "BODLESUVCQEUII-UHFFFAOYSA-N" . "InChI=1S/C25H28N4O4/c1-17-14-19(21-4-2-3-5-22(21)27-17)16-33-20-8-6-18(7-9-20)24(31)28-25(15-23(30)29-32)10-12-26-13-11-25/h2-9,14,26,32H,10-13,15-16H2,1H3,(H,28,31)(H,29,30)" . "COC(=O)C1CCCN1C(=O)C(N(C(=O)C(NC(=O)C(C(O)C)NC(=O)CC(C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)OC(=O)C(C(C)C)OC(=O)C(N(C)C)C(C)C)CC(C)C)CC(=O)N)CC(C)C)O)C)C)Cc1ccccc1" . "COC(=O)[C@@H]1CCCN1C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)C[C@@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)OC(=O)[C@@H](N(C)C)C(C)C)CC(C)C)CC(=O)N)CC(C)C)O)C)C)Cc1ccccc1" . "JZYWSTGTBRHGTL-BIXXXADNSA-N" . "InChI=1S/C58H95N9O16/c1-30(2)25-38(43(69)29-45(71)64-46(36(12)68)52(74)60-35(11)54(76)66(15)42(27-37-21-18-17-19-22-37)55(77)67-24-20-23-41(67)56(78)81-16)61-51(73)40(28-44(59)70)62-50(72)39(26-31(3)4)63-53(75)48(33(7)8)82-58(80)49(34(9)10)83-57(79)47(32(5)6)65(13)14/h17-19,21-22,30-36,38-43,46-49,68-69H,20,23-29H2,1-16H3,(H2,59,70)(H,60,74)(H,61,73)(H,62,72)(H,63,75)(H,64,71)/t35-,36+,38-,39-,40-,41-,42+,43-,46-,47-,48+,49-/m0/s1" . "Oc1ccccc1C=Cc1ccc2c(n1)cccc2" . "Oc1ccccc1/C=C/c1ccc2c(n1)cccc2" . "NXNDEWNGCMCWMA-BENRWUELSA-N" . "InChI=1S/C17H13NO/c19-17-8-4-2-6-14(17)10-12-15-11-9-13-5-1-3-7-16(13)18-15/h1-12,19H/b12-10-" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)O)C)C)Cc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2)C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(N)C)CCCN=C(N)N)Cc1ccccc1" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)C)C)Cc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CCCN=C(N)N)Cc1ccccc1" . "BVRWWHKWGPOKPN-NXOPMQQOSA-N" . "InChI=1S/C59H82N16O11/c1-32(2)49(75-54(82)43(22-13-14-24-60)71-56(84)45(26-36-16-7-6-8-17-36)72-53(81)44(70-50(78)33(3)61)23-15-25-64-59(62)63)58(86)74-47(28-38-30-66-42-21-12-10-19-40(38)42)57(85)73-46(27-37-29-65-41-20-11-9-18-39(37)41)55(83)69-35(5)52(80)68-34(4)51(79)67-31-48(76)77/h6-12,16-21,29-30,32-35,43-47,49,65-66H,13-15,22-28,31,60-61H2,1-5H3,(H,67,79)(H,68,80)(H,69,83)(H,70,78)(H,71,84)(H,72,81)(H,73,85)(H,74,86)(H,75,82)(H,76,77)(H4,62,63,64)/t33-,34-,35-,43-,44-,45-,46-,47-,49-/m0/s1" . "O=C(Oc1c(c2ccc(cc2)O)c(O)c(c(c1OC(=O)Cc1ccccc1)c1ccc(cc1)O)O)Cc1ccccc1" . "O=C(Oc1c(c2ccc(cc2)O)c(O)c(c(c1OC(=O)Cc1ccccc1)c1ccc(cc1)O)O)Cc1ccccc1" . "NOJUKCRPSUMHQQ-UHFFFAOYSA-N" . "InChI=1S/C34H26O8/c35-25-15-11-23(12-16-25)29-31(39)32(40)30(24-13-17-26(36)18-14-24)34(42-28(38)20-22-9-5-2-6-10-22)33(29)41-27(37)19-21-7-3-1-4-8-21/h1-18,35-36,39-40H,19-20H2" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)C(O)C)CCCN=C(N)N)CCCCN)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(C(O)C)N)CCCN=C(N)N)C)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)[C@H](O)C)CCCN=C(N)N)CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)N)CCCN=C(N)N)C)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N" . "XIHRZTWKTVFWSV-HQSWAJDZSA-N" . "InChI=1S/C58H113N29O13/c1-30(78-45(92)35(16-8-24-73-54(63)64)85-52(99)40-21-13-29-87(40)53(100)41(61)31(2)88)44(91)79-36(17-9-25-74-55(65)66)48(95)82-38(19-11-27-76-57(69)70)50(97)83-37(18-10-26-75-56(67)68)49(96)81-33(14-4-6-22-59)46(93)80-34(15-5-7-23-60)47(94)84-39(20-12-28-77-58(71)72)51(98)86-42(32(3)89)43(62)90/h30-42,88-89H,4-29,59-61H2,1-3H3,(H2,62,90)(H,78,92)(H,79,91)(H,80,93)(H,81,96)(H,82,95)(H,83,97)(H,84,94)(H,85,99)(H,86,98)(H4,63,64,73)(H4,65,66,74)(H4,67,68,75)(H4,69,70,76)(H4,71,72,77)/t30-,31+,32+,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1" . "NCCCCC(C(=O)O)S" . "NCCCCC(C(=O)O)S" . "JNQDJHCXDRGZJD-UHFFFAOYSA-N" . "InChI=1S/C6H13NO2S/c7-4-2-1-3-5(10)6(8)9/h5,10H,1-4,7H2,(H,8,9)" . "NCCCCC(C(=O)O)NC(=O)c1ccc(c(c1)NC(=O)C(CCc1ccccc1)N)N" . "NCCCC[C@@H](C(=O)O)NC(=O)c1ccc(c(c1)NC(=O)[C@H](CCc1ccccc1)N)N" . "XPUCDWKMNQBXIH-OALUTQOASA-N" . "InChI=1S/C23H31N5O4/c24-13-5-4-8-19(23(31)32)27-21(29)16-10-12-17(25)20(14-16)28-22(30)18(26)11-9-15-6-2-1-3-7-15/h1-3,6-7,10,12,14,18-19H,4-5,8-9,11,13,24-26H2,(H,27,29)(H,28,30)(H,31,32)/t18-,19-/m0/s1" . "COc1ccccc1SCC(C(=O)NC(C(=O)N)Cc1c[nH]c2c1cccc2)CP(=O)(C(Cc1ccccc1)NC(=O)OCc1ccccc1)O" . "COc1ccccc1SC[C@@H](C(=O)N[C@H](C(=O)N)Cc1c[nH]c2c1cccc2)CP(=O)([C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)O" . "YDDMVPLLJTZTQL-LAABSITASA-N" . "InChI=1S/C38H41N4O7PS/c1-48-33-18-10-11-19-34(33)51-25-29(37(44)41-32(36(39)43)21-28-22-40-31-17-9-8-16-30(28)31)24-50(46,47)35(20-26-12-4-2-5-13-26)42-38(45)49-23-27-14-6-3-7-15-27/h2-19,22,29,32,35,40H,20-21,23-25H2,1H3,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)/t29-,32-,35+/m0/s1" . "FC1CCC2(C(=CCC3C2CCC2(C3CCC(C2F)C)C)C1)C" . "F[C@H]1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC[C@H]([C@@H]2F)C)C)C1)C" . "UEILQXVVJHZGQK-KYFJQHFKSA-N" . "InChI=1S/C21H32F2/c1-13-4-7-17-16-6-5-14-12-15(22)8-10-20(14,2)18(16)9-11-21(17,3)19(13)23/h5,13,15-19H,4,6-12H2,1-3H3/t13-,15+,16?,17?,18?,19+,20+,21+/m1/s1" . "O=C(c1sc2c(c1N)cc(c(=O)[nH]2)C(=O)O)c1ccccc1" . "O=C(c1sc2c(c1N)cc(c(=O)[nH]2)C(=O)O)c1ccccc1" . "OJHMDRZMENMQFP-UHFFFAOYSA-N" . "InChI=1S/C15H10N2O4S/c16-10-8-6-9(15(20)21)13(19)17-14(8)22-12(10)11(18)7-4-2-1-3-5-7/h1-6H,16H2,(H,17,19)(H,20,21)" . "O=C1CC(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl" . "O=C1CC(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl" . "IDLAOWFFKWRNHB-UHFFFAOYSA-N" . "InChI=1S/C9H2Cl4O2/c10-6-4-2(14)1-3(15)5(4)7(11)9(13)8(6)12/h1H2" . "O=C(NC(C(=O)O)CCC(=O)O)NC(C(=O)O)Cc1ccc(cc1)O" . "O=C(N[C@H](C(=O)O)CCC(=O)O)N[C@H](C(=O)O)Cc1ccc(cc1)O" . "QXWVJRPYHOYHHT-QWRGUYRKSA-N" . "InChI=1S/C15H18N2O8/c18-9-3-1-8(2-4-9)7-11(14(23)24)17-15(25)16-10(13(21)22)5-6-12(19)20/h1-4,10-11,18H,5-7H2,(H,19,20)(H,21,22)(H,23,24)(H2,16,17,25)/t10-,11-/m0/s1" . "NCCCCC(C(=O)NCc1ccc(cc1)C(=N)N)NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CCCN=C(N)N" . "NCCCC[C@@H](C(=O)NCc1ccc(cc1)C(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CCCN=C(N)N" . "UFNWIBYSOUCSGW-FVMQRRFMSA-N" . "InChI=1S/C51H90N14O8/c1-28(2)23-38(59-33(11)66)46(69)62-40(25-30(5)6)48(71)64-41(26-31(7)8)49(72)63-39(24-29(3)4)47(70)60-37(16-14-22-57-51(55)56)45(68)65-42(32(9)10)50(73)61-36(15-12-13-21-52)44(67)58-27-34-17-19-35(20-18-34)43(53)54/h17-20,28-32,36-42H,12-16,21-27,52H2,1-11H3,(H3,53,54)(H,58,67)(H,59,66)(H,60,70)(H,61,73)(H,62,69)(H,63,72)(H,64,71)(H,65,68)(H4,55,56,57)/t36-,37-,38-,39-,40-,41-,42-/m0/s1" . "CCCn1cnc(c1)CC(C(=O)O)CCCN" . "CCCn1cnc(c1)C[C@@H](C(=O)O)CCCN" . "OTDGPKRCQXSTPV-JTQLQIEISA-N" . "InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1" . "SCC(C(=O)O)CCCN=C(N)N" . "SCC(C(=O)O)CCCN=C(N)N" . "JOVIPJZDTSYNNW-UHFFFAOYSA-N" . "InChI=1S/C7H15N3O2S/c8-7(9)10-3-1-2-5(4-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)" . "COc1ccc2c(c1)cc(cc2)S(=O)(=O)N(C1CCN(C1=O)Cc1ccc(s1)C(=N)N)Cc1ccccc1" . "COc1ccc2c(c1)cc(cc2)S(=O)(=O)N([C@H]1CCN(C1=O)Cc1ccc(s1)C(=N)N)Cc1ccccc1" . "KKFJNRXJRRYNRJ-VWLOTQADSA-N" . "InChI=1S/C28H28N4O4S2/c1-36-22-9-7-20-8-11-24(16-21(20)15-22)38(34,35)32(17-19-5-3-2-4-6-19)25-13-14-31(28(25)33)18-23-10-12-26(37-23)27(29)30/h2-12,15-16,25H,13-14,17-18H2,1H3,(H3,29,30)/t25-/m0/s1" . "CCCCCCN(CC(=O)C(NC(=O)C(n1cc(nc(c1=O)NCc1nonc1C)C(C)(C)C)CC)CC(=O)O)C" . "CCCCCCN(CC(=O)C(NC(=O)C(n1cc(nc(c1=O)NCc1nonc1C)C(C)(C)C)CC)CC(=O)O)C" . "XIMITGPWYYFUQF-UHFFFAOYSA-N" . "InChI=1S/C28H45N7O6/c1-8-10-11-12-13-34(7)16-22(36)19(14-24(37)38)30-26(39)21(9-2)35-17-23(28(4,5)6)31-25(27(35)40)29-15-20-18(3)32-41-33-20/h17,19,21H,8-16H2,1-7H3,(H,29,31)(H,30,39)(H,37,38)" . "NC(=NCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)C)CC(C)C)CC(C)(C)C)CC(C)C)NC(=O)C)N" . "NC(=NCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)C)CC(C)C)CC(C)(C)C)CC(C)C)NC(=O)C)N" . "VIJSPAIQWVPKQZ-BLECARSGSA-N" . "InChI=1S/C36H68N12O8/c1-19(2)16-25(30(52)43-21(5)28(50)45-24(33(55)56)13-11-15-42-35(39)40)47-32(54)27(18-36(7,8)9)48-31(53)26(17-20(3)4)46-29(51)23(44-22(6)49)12-10-14-41-34(37)38/h19-21,23-27H,10-18H2,1-9H3,(H,43,52)(H,44,49)(H,45,50)(H,46,51)(H,47,54)(H,48,53)(H,55,56)(H4,37,38,41)(H4,39,40,42)/t21-,23-,24-,25-,26-,27-/m0/s1" . "CCC(C(N(C(=O)C)C)C(=O)NC1CCc2c3N(C1=O)C(Cc3ccc2)C(=O)NC(C(=O)c1nnc(o1)c1ccccc1)CC(=O)O)C" . "CC[C@@H]([C@H](N(C(=O)C)C)C(=O)N[C@H]1CCc2c3N(C1=O)[C@@H](Cc3ccc2)C(=O)N[C@H](C(=O)c1nnc(o1)c1ccccc1)CC(=O)O)C" . "UCXMBOHIKJZNMQ-GIYJSHOWSA-N" . "InChI=1S/C34H38N6O8/c1-5-18(2)27(39(4)19(3)41)31(46)35-23-15-14-20-12-9-13-22-16-25(40(28(20)22)34(23)47)30(45)36-24(17-26(42)43)29(44)33-38-37-32(48-33)21-10-7-6-8-11-21/h6-13,18,23-25,27H,5,14-17H2,1-4H3,(H,35,46)(H,36,45)(H,42,43)/t18-,23-,24-,25-,27-/m0/s1" . "O=c1snc(o1)c1cccc(c1)[N+](=O)[O-]" . "O=c1snc(o1)c1cccc(c1)[N+](=O)[O-]" . "QBAZATRGWRVUFN-UHFFFAOYSA-N" . "InChI=1S/C8H4N2O4S/c11-8-14-7(9-15-8)5-2-1-3-6(4-5)10(12)13/h1-4H" . "NCCCCC(C(=O)NC(C(=O)O)CCCN=C(N)N)NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(C)C)N)CC(C)C)CC(C)C)CCCN=C(N)N " . "CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C(C)C" . "UQCOICUQZUWRMW-YYGRSCHNSA-N" . "InChI=1S/C41H80N14O8/c1-22(2)19-26(43)33(56)53-30(20-23(3)4)37(60)54-31(21-24(5)6)36(59)50-28(14-11-17-48-40(44)45)35(58)55-32(25(7)8)38(61)51-27(13-9-10-16-42)34(57)52-29(39(62)63)15-12-18-49-41(46)47/h22-32H,9-21,42-43H2,1-8H3,(H,50,59)(H,51,61)(H,52,57)(H,53,56)(H,54,60)(H,55,58)(H,62,63)(H4,44,45,48)(H4,46,47,49)/t26-,27-,28-,29-,30-,31-,32-/m0/s1" . "COc1cc2c(cc1OC)ncn2c1cc(c(s1)C(=C)N)OC(c1ccccc1Cl)C" . "COc1cc2c(cc1OC)ncn2c1cc(c(s1)C(=C)N)O[C@@H](c1ccccc1Cl)C" . "AWMDAFUCNYEZNI-CQSZACIVSA-N" . "InChI=1S/C23H22ClN3O3S/c1-13(25)23-21(30-14(2)15-7-5-6-8-16(15)24)11-22(31-23)27-12-26-17-9-19(28-3)20(29-4)10-18(17)27/h5-12,14H,1,25H2,2-4H3/t14-/m1/s1" . "COc1cc2c(cc1OC)ncn2c1cc(c(s1)C(=C)N)OCc1ccccc1C(F)(F)F" . "COc1cc2c(cc1OC)ncn2c1cc(c(s1)C(=C)N)OCc1ccccc1C(F)(F)F" . "SYQIMXCJFHFKLG-UHFFFAOYSA-N" . "InChI=1S/C23H20F3N3O3S/c1-13(27)22-20(32-11-14-6-4-5-7-15(14)23(24,25)26)10-21(33-22)29-12-28-16-8-18(30-2)19(31-3)9-17(16)29/h4-10,12H,1,11,27H2,2-3H3" . "NC(=O)c1sc(cc1OCc1ccccc1Br)n1cnc2c1cc(cc2)C(F)(F)F" . "NC(=O)c1sc(cc1OCc1ccccc1Br)n1cnc2c1cc(cc2)C(F)(F)F" . "LOKKVFGDJAVMLU-UHFFFAOYSA-N" . "InChI=1S/C20H13BrF3N3O2S/c21-13-4-2-1-3-11(13)9-29-16-8-17(30-18(16)19(25)28)27-10-26-14-6-5-12(7-15(14)27)20(22,23)24/h1-8,10H,9H2,(H2,25,28)" . "COc1cc(ccc1Nc1nc(Nc2cccc3c2cccn3)c2c(n1)[nH]cc2)N1CCN(CC1)C(C)C" . "COc1cc(ccc1Nc1nc(Nc2cccc3c2cccn3)c2c(n1)[nH]cc2)N1CCN(CC1)C(C)C" . "PEPOAPKYASCEKL-UHFFFAOYSA-N" . "InChI=1S/C29H32N8O/c1-19(2)36-14-16-37(17-15-36)20-9-10-25(26(18-20)38-3)33-29-34-27-22(11-13-31-27)28(35-29)32-24-8-4-7-23-21(24)6-5-12-30-23/h4-13,18-19H,14-17H2,1-3H3,(H3,31,32,33,34,35)" . "O=C(C(C(F)(F)F)(CC(c1cccc2c1OCC2)(C)C)O)Nc1ccc2c(c1)c(C)noc2=O" . "O=C(C(C(F)(F)F)(CC(c1cccc2c1OCC2)(C)C)O)Nc1ccc2c(c1)c(C)noc2=O" . "VRZVKIJRJRBQJT-UHFFFAOYSA-N" . "InChI=1S/C24H23F3N2O5/c1-13-17-11-15(7-8-16(17)20(30)34-29-13)28-21(31)23(32,24(25,26)27)12-22(2,3)18-6-4-5-14-9-10-33-19(14)18/h4-8,11,32H,9-10,12H2,1-3H3,(H,28,31)" . "COc1ccc2c(c1)ccc(c2)c1c(nc(n1C)c1ccc(cc1C)S(=O)(=O)C)c1ccncc1" . "COc1ccc2c(c1)ccc(c2)c1c(nc(n1C)c1ccc(cc1C)S(=O)(=O)C)c1ccncc1" . "ZDSNJSQTPLXCSG-UHFFFAOYSA-N" . "InChI=1S/C28H25N3O3S/c1-18-15-24(35(4,32)33)9-10-25(18)28-30-26(19-11-13-29-14-12-19)27(31(28)2)22-6-5-21-17-23(34-3)8-7-20(21)16-22/h5-17H,1-4H3" . "COc1cncc(c1)c1cnc(c2c1cc(C)c(=O)[nH]2)NC1CCNCC1" . "COc1cncc(c1)c1cnc(c2c1cc(C)c(=O)[nH]2)NC1CCNCC1" . "FPQQERRFPULCIK-UHFFFAOYSA-N" . "InChI=1S/C20H23N5O2/c1-12-7-16-17(13-8-15(27-2)10-22-9-13)11-23-19(18(16)25-20(12)26)24-14-3-5-21-6-4-14/h7-11,14,21H,3-6H2,1-2H3,(H,23,24)(H,25,26)" . "Cc1cncc(c1)c1cnc(c2c1cc(C)c(=O)[nH]2)NC1CCNCC1" . "Cc1cncc(c1)c1cnc(c2c1cc(C)c(=O)[nH]2)NC1CCNCC1" . "PAGDGWOISBNVEC-UHFFFAOYSA-N" . "InChI=1S/C20H23N5O/c1-12-7-14(10-22-9-12)17-11-23-19(24-15-3-5-21-6-4-15)18-16(17)8-13(2)20(26)25-18/h7-11,15,21H,3-6H2,1-2H3,(H,23,24)(H,25,26)" . "OC(=O)C1CCN1" . "OC(=O)[C@@H]1CCN1" . "IADUEWIQBXOCDZ-VKHMYHEASA-N" . "InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1" . "CCN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1ccc(c2)c1cccc(c1F)OC" . "CCN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1ccc(c2)c1cccc(c1F)OC" . "ANMVTYAYYHHSTF-UHFFFAOYSA-N" . "InChI=1S/C27H28FN5O2/c1-3-32-13-15-33(16-14-32)20-10-7-18(8-11-20)27(34)29-26-22-12-9-19(17-23(22)30-31-26)21-5-4-6-24(35-2)25(21)28/h4-12,17H,3,13-16H2,1-2H3,(H2,29,30,31,34)" . "OC1CCC2(C(=CCC3C2CCC2(C3CC=C2n2cnc3c2cccc3)C)C1)C" . "O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC=C2n2cnc3c2cccc3)C)C1)C" . "PAFKTGFSEFKSQG-PAASFTFBSA-N" . "InChI=1S/C26H32N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-7,10,16,18-21,29H,8-9,11-15H2,1-2H3/t18-,19-,20-,21-,25-,26-/m0/s1" . "OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(cc1F)N" . "OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(cc1F)N" . "GFJYPJDGRCZNDI-UHFFFAOYSA-N" . "InChI=1S/C16H14ClFN2O4/c17-10-2-4-12(14(5-10)24-8-15(21)22)16(23)20-7-9-1-3-11(19)6-13(9)18/h1-6H,7-8,19H2,(H,20,23)(H,21,22)" . "CCOC(=O)c1[nH]c2c(c1)cc(cc2)c1cc(nn1C)C(=O)NCc1ccc(cc1)C(=O)O" . "CCOC(=O)c1[nH]c2c(c1)cc(cc2)c1cc(nn1C)C(=O)NCc1ccc(cc1)C(=O)O" . "MMJPVSDTLGFIQW-UHFFFAOYSA-N" . "InChI=1S/C24H22N4O5/c1-3-33-24(32)20-11-17-10-16(8-9-18(17)26-20)21-12-19(27-28(21)2)22(29)25-13-14-4-6-15(7-5-14)23(30)31/h4-12,26H,3,13H2,1-2H3,(H,25,29)(H,30,31)" . "O=C1N(C)c2c(C1=O)cc(cc2)[N+](=O)[O-]" . "O=C1N(C)c2c(C1=O)cc(cc2)[N+](=O)[O-]" . "JPTDPTOWOMFBRY-UHFFFAOYSA-N" . "InChI=1S/C9H6N2O4/c1-10-7-3-2-5(11(14)15)4-6(7)8(12)9(10)13/h2-4H,1H3" . "C=CCC(C(=O)NC(C(=O)C(C(=O)NCCN1CCOCC1)(F)F)CC1CCCCC1)NC(=O)C(NS(=O)(=O)N1CCOCC1)Cc1ccccc1" . "C=CC[C@@H](C(=O)N[C@H](C(=O)C(C(=O)NCCN1CCOCC1)(F)F)CC1CCCCC1)NC(=O)[C@@H](NS(=O)(=O)N1CCOCC1)Cc1ccccc1" . "MQDDTALXSBQTQP-DTXPUJKBSA-N" . "InChI=1S/C35H52F2N6O8S/c1-2-9-28(39-33(46)30(25-27-12-7-4-8-13-27)41-52(48,49)43-18-22-51-23-19-43)32(45)40-29(24-26-10-5-3-6-11-26)31(44)35(36,37)34(47)38-14-15-42-16-20-50-21-17-42/h2,4,7-8,12-13,26,28-30,41H,1,3,5-6,9-11,14-25H2,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,30-/m0/s1" . "CCOc1cccc(c1)c1ccc(cc1)COC(=O)N1CCCC1C(=O)NC(CC(=O)N)C#N" . "CCOc1cccc(c1)c1ccc(cc1)COC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)N)C#N" . "BZVXYJWEOARYIS-UNMCSNQZSA-N" . "InChI=1S/C25H28N4O5/c1-2-33-21-6-3-5-19(13-21)18-10-8-17(9-11-18)16-34-25(32)29-12-4-7-22(29)24(31)28-20(15-26)14-23(27)30/h3,5-6,8-11,13,20,22H,2,4,7,12,14,16H2,1H3,(H2,27,30)(H,28,31)/t20-,22-/m0/s1" . "CC(CC(C(C(=O)N1CCCC1C(=O)NC(C(=O)N)C)O)N)C" . "CC(C[C@@H]([C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N)C)O)N)C" . "PDGQBIYMLALKTR-FIQHERPVSA-N" . "InChI=1S/C15H28N4O4/c1-8(2)7-10(16)12(20)15(23)19-6-4-5-11(19)14(22)18-9(3)13(17)21/h8-12,20H,4-7,16H2,1-3H3,(H2,17,21)(H,18,22)/t9-,10-,11-,12+/m0/s1" . "CCC(C(C(=O)N1CCC(C1C(=O)O)C(=O)O)NC(=O)C(C(CCS(=O)(=O)O)N)S)C" . "CC[C@H]([C@@H](C(=O)N1CCC([C@H]1C(=O)O)C(=O)O)NC(=O)[C@@H]([C@@H](CCS(=O)(=O)O)N)S)C" . "HUWSZNZAROKDRZ-RRLWZMAJSA-N" . "InChI=1S/C17H29N3O9S2/c1-3-8(2)11(19-14(21)13(30)10(18)5-7-31(27,28)29)15(22)20-6-4-9(16(23)24)12(20)17(25)26/h8-13,30H,3-7,18H2,1-2H3,(H,19,21)(H,23,24)(H,25,26)(H,27,28,29)/t8-,9?,10-,11+,12+,13-/m1/s1" . "CNC(=O)CNC(=O)C1Cc2ccc(cc2)OCCCC(C(C(=O)N1)CC(C)C)C(=O)NO" . "CNC(=O)CNC(=O)[C@@H]1Cc2ccc(cc2)OCCC[C@@H]([C@H](C(=O)N1)CC(C)C)C(=O)NO" . "HFAGTNGCAZYYLZ-OTWHNJEPSA-N" . "InChI=1S/C23H34N4O6/c1-14(2)11-18-17(22(30)27-32)5-4-10-33-16-8-6-15(7-9-16)12-19(26-21(18)29)23(31)25-13-20(28)24-3/h6-9,14,17-19,32H,4-5,10-13H2,1-3H3,(H,24,28)(H,25,31)(H,26,29)(H,27,30)/t17-,18+,19-/m0/s1" . "O=CC(NC(=O)c1ccc(nc1)CNS(=O)(=O)c1cccc(c1)C(=O)O)CC(=O)O" . "O=C[C@@H](NC(=O)c1ccc(nc1)CNS(=O)(=O)c1cccc(c1)C(=O)O)CC(=O)O" . "MENAYYMPBRSAAE-AWEZNQCLSA-N" . "InChI=1S/C18H17N3O8S/c22-10-14(7-16(23)24)21-17(25)12-4-5-13(19-8-12)9-20-30(28,29)15-3-1-2-11(6-15)18(26)27/h1-6,8,10,14,20H,7,9H2,(H,21,25)(H,23,24)(H,26,27)/t14-/m0/s1" . "SC(C(=O)NC(C(=O)O)Cc1ccc(cc1)c1ccccc1)Cc1ccccc1" . "S[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)c1ccccc1)Cc1ccccc1" . "BNECOBGISSOLPT-FCHUYYIVSA-N" . "InChI=1S/C24H23NO3S/c26-23(22(29)16-17-7-3-1-4-8-17)25-21(24(27)28)15-18-11-13-20(14-12-18)19-9-5-2-6-10-19/h1-14,21-22,29H,15-16H2,(H,25,26)(H,27,28)/t21-,22+/m0/s1" . "COc1ccc(cc1)C(=O)N1C(=O)OC(C1=O)(C)C" . "COc1ccc(cc1)C(=O)N1C(=O)OC(C1=O)(C)C" . "ZYRNCIWULACSEK-UHFFFAOYSA-N" . "InChI=1S/C13H13NO5/c1-13(2)11(16)14(12(17)19-13)10(15)8-4-6-9(18-3)7-5-8/h4-7H,1-3H3" . "FCC(=N)NCCCC(C(=O)N)NC(=O)c1ccccc1C(=O)O" . "FCC(=N)NCCCC(C(=O)N)NC(=O)c1ccccc1C(=O)O" . "HBEIARVCIYYMOR-UHFFFAOYSA-N" . "InChI=1S/C15H19FN4O4/c16-8-12(17)19-7-3-6-11(13(18)21)20-14(22)9-4-1-2-5-10(9)15(23)24/h1-2,4-5,11H,3,6-8H2,(H2,17,19)(H2,18,21)(H,20,22)(H,23,24)" . "CCS(=O)(=O)N(C1C(O)C(C)(C)Oc2c1cc(cc2)C#N)C" . "CCS(=O)(=O)N([C@H]1[C@H](O)C(C)(C)Oc2c1cc(cc2)C#N)C" . "HVSJHHXUORMCGK-KGLIPLIRSA-N" . "InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m1/s1" . "NCC(=O)O" . "NCC(=O)O" . "DHMQDGOQFOQNFH-UHFFFAOYSA-N" . "InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)" . "NC(=O)CCC(C(=O)NC(C(=O)NC(C(=O)c1nc2c(s1)cccc2)CCCN=C(N)N)C)NC(=O)C(CCCN=C(N)N)N" . "NC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)c1nc2c(s1)cccc2)CCCN=C(N)N)C)NC(=O)[C@H](CCCN=C(N)N)N" . "JRNGHBUUFQDBPT-LAQRGFTBSA-N" . "InChI=1S/C27H42N12O5S/c1-14(36-24(44)18(10-11-20(29)40)38-23(43)15(28)6-4-12-34-26(30)31)22(42)37-17(8-5-13-35-27(32)33)21(41)25-39-16-7-2-3-9-19(16)45-25/h2-3,7,9,14-15,17-18H,4-6,8,10-13,28H2,1H3,(H2,29,40)(H,36,44)(H,37,42)(H,38,43)(H4,30,31,34)(H4,32,33,35)/t14-,15-,17-,18-/m0/s1" . "NCCOC(C(=O)O)Cc1ncn(c1)c1ccccc1" . "NCCO[C@H](C(=O)O)Cc1ncn(c1)c1ccccc1" . "LVCATUGNENEDGZ-ZDUSSCGKSA-N" . "InChI=1S/C14H17N3O3/c15-6-7-20-13(14(18)19)8-11-9-17(10-16-11)12-4-2-1-3-5-12/h1-5,9-10,13H,6-8,15H2,(H,18,19)/t13-/m0/s1" . "NCC(=O)NC(Cc1ccccc1)C#N" . "NCC(=O)NC(Cc1ccccc1)C#N" . "QLVGHFBUSGYCCG-UHFFFAOYSA-N" . "InChI=1S/C11H13N3O/c12-7-10(14-11(15)8-13)6-9-4-2-1-3-5-9/h1-5,10H,6,8,13H2,(H,14,15)" . "O=C(N1CCN(CC1)Cc1cccc(c1)Oc1ccccc1)Oc1ccc(cc1)[N+](=O)[O-]" . "O=C(N1CCN(CC1)Cc1cccc(c1)Oc1ccccc1)Oc1ccc(cc1)[N+](=O)[O-]" . "QNYRAEKLMNDRFY-UHFFFAOYSA-N" . "InChI=1S/C24H23N3O5/c28-24(32-22-11-9-20(10-12-22)27(29)30)26-15-13-25(14-16-26)18-19-5-4-8-23(17-19)31-21-6-2-1-3-7-21/h1-12,17H,13-16,18H2" . "O=C1CC(Cc2ccc(cc2)O)NC(=O)C(N)CCC=CCCC(N1)C(=O)NCc1ccccc1CC(=O)O" . "O=C1C[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](N)CC/C=C/CC[C@H](N1)C(=O)NCc1ccccc1CC(=O)O" . "QUJXIMWUJGTUEG-CLKUPZDLSA-N" . "InChI=1S/C29H36N4O6/c30-24-9-3-1-2-4-10-25(29(39)31-18-21-8-6-5-7-20(21)16-27(36)37)33-26(35)17-22(32-28(24)38)15-19-11-13-23(34)14-12-19/h1-2,5-8,11-14,22,24-25,34H,3-4,9-10,15-18,30H2,(H,31,39)(H,32,38)(H,33,35)(H,36,37)/b2-1+/t22-,24-,25-/m0/s1" . "O=C1C=CC=CC1=CC=c1ccc2c([nH]1)cccc2" . "O=C1C=CC=C/C/1=C/C=c/1/ccc2c([nH]1)cccc2" . "YWORVGQOCNQBFI-VDQVFBMKSA-N" . "InChI=1S/C17H13NO/c19-17-8-4-2-6-14(17)10-12-15-11-9-13-5-1-3-7-16(13)18-15/h1-12,18H/b14-10+,15-12+" . "CSc1sc(cc1S(=O)(=O)c1cc(Br)c2c(c1)ncn2Cc1cc(F)ccc1F)C(=N)N" . "CSc1sc(cc1S(=O)(=O)c1cc(Br)c2c(c1)ncn2Cc1cc(F)ccc1F)C(=N)N" . "HEZXZGJJNMPIJM-UHFFFAOYSA-N" . "InChI=1S/C20H15BrF2N4O2S3/c1-30-20-17(7-16(31-20)19(24)25)32(28,29)12-5-13(21)18-15(6-12)26-9-27(18)8-10-4-11(22)2-3-14(10)23/h2-7,9H,8H2,1H3,(H3,24,25)" . "CC(CC(B(O)O)NC(=O)CCn1ccc2c(c1=O)cccc2)C" . "CC(C[C@@H](B(O)O)NC(=O)CCn1ccc2c(c1=O)cccc2)C" . "QCKLWTRAVKQTPI-HNNXBMFYSA-N" . "InChI=1S/C17H23BN2O4/c1-12(2)11-15(18(23)24)19-16(21)8-10-20-9-7-13-5-3-4-6-14(13)17(20)22/h3-7,9,12,15,23-24H,8,10-11H2,1-2H3,(H,19,21)/t15-/m0/s1" . "CCN1CCCC(C1)Nc1nc(nc2c1cc(I)cc2)C(F)(F)F" . "CCN1CCCC(C1)Nc1nc(nc2c1cc(I)cc2)C(F)(F)F" . "IRWWFCJIOHCTMV-UHFFFAOYSA-N" . "InChI=1S/C16H18F3IN4/c1-2-24-7-3-4-11(9-24)21-14-12-8-10(20)5-6-13(12)22-15(23-14)16(17,18)19/h5-6,8,11H,2-4,7,9H2,1H3,(H,21,22,23)" . "O=CC(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)CC(C)C" . "O=C[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)CC(C)C" . "TZYWCYJVHRLUCT-VABKMULXSA-N" . "InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1" . "CC(CC(C(=O)NC(C(=O)C(=O)NCCCn1cnc2c1ncnc2N)Cc1ccccc1)NC(=O)OCc1ccccc1)C" . "CC(C[C@@H](C(=O)NC(C(=O)C(=O)NCCCn1cnc2c1ncnc2N)Cc1ccccc1)NC(=O)OCc1ccccc1)C" . "OVLNPOAZKHQAAD-BBMPLOMVSA-N" . "InChI=1S/C32H38N8O5/c1-21(2)16-25(39-32(44)45-18-23-12-7-4-8-13-23)30(42)38-24(17-22-10-5-3-6-11-22)27(41)31(43)34-14-9-15-40-20-37-26-28(33)35-19-36-29(26)40/h3-8,10-13,19-21,24-25H,9,14-18H2,1-2H3,(H,34,43)(H,38,42)(H,39,44)(H2,33,35,36)/t24?,25-/m0/s1" . "CCC(C(=O)C(=O)NCCCn1cnc2c1nc(OC)nc2N)NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C" . "CCC(C(=O)C(=O)NCCCn1cnc2c1nc(OC)nc2N)NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C" . "MBPXUEHDROHPFW-ANYOKISRSA-N" . "InChI=1S/C28H38N8O6/c1-5-19(32-25(38)20(14-17(2)3)33-28(40)42-15-18-10-7-6-8-11-18)22(37)26(39)30-12-9-13-36-16-31-21-23(29)34-27(41-4)35-24(21)36/h6-8,10-11,16-17,19-20H,5,9,12-15H2,1-4H3,(H,30,39)(H,32,38)(H,33,40)(H2,29,34,35)/t19?,20-/m0/s1" . "CCCCC(NC(=O)OC(Cc1ccccc1)C)C=O" . "CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C)C=O" . "WNKGMQLRHKONID-ZFWWWQNUSA-N" . "InChI=1S/C16H23NO3/c1-3-4-10-15(12-18)17-16(19)20-13(2)11-14-8-6-5-7-9-14/h5-9,12-13,15H,3-4,10-11H2,1-2H3,(H,17,19)/t13-,15-/m0/s1" . "OC(=O)CNC(C(=O)NC(C(=O)NCc1ccc(cc1)C(=N)N)Cc1ccc(cc1)N)CC1CCCCC1" . "OC(=O)CN[C@@H](C(=O)N[C@H](C(=O)NCc1ccc(cc1)C(=N)N)Cc1ccc(cc1)N)CC1CCCCC1" . "CHAFCBBAYJKFNL-RPWUZVMVSA-N" . "InChI=1S/C28H38N6O4/c29-22-12-8-19(9-13-22)15-24(27(37)33-16-20-6-10-21(11-7-20)26(30)31)34-28(38)23(32-17-25(35)36)14-18-4-2-1-3-5-18/h6-13,18,23-24,32H,1-5,14-17,29H2,(H3,30,31)(H,33,37)(H,34,38)(H,35,36)/t23-,24+/m1/s1" . "OC(=O)C(Cc1ccc(c(c1)O)O)N" . "OC(=O)[C@](C(c1ccc(c(c1)O)O)([2H])[2H])(N)[2H]" . "WTDRDQBEARUVNC-QZRTVAIESA-N" . "InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1/i3D2,6D" . "N#Cc1cccc(c1NC(=O)Cn1c2ccccc2c2c1cccc2)Cl" . "N#Cc1cccc(c1NC(=O)Cn1c2ccccc2c2c1cccc2)Cl" . "ZDAKKNHUWVTCRS-UHFFFAOYSA-N" . "InChI=1S/C21H14ClN3O/c22-17-9-5-6-14(12-23)21(17)24-20(26)13-25-18-10-3-1-7-15(18)16-8-2-4-11-19(16)25/h1-11H,13H2,(H,24,26)" . "COC(=O)N1N(C(=O)OC)C(=O)C1(C1CCCC1)c1ccccc1" . "COC(=O)N1N(C(=O)OC)C(=O)[C@@]1(C1CCCC1)c1ccccc1" . "ZRHWCAFAIHTQKD-KRWDZBQOSA-N" . "InChI=1S/C17H20N2O5/c1-23-15(21)18-14(20)17(13-10-6-7-11-13,19(18)16(22)24-2)12-8-4-3-5-9-12/h3-5,8-9,13H,6-7,10-11H2,1-2H3/t17-/m0/s1" . "N#CC1CCCN1C(=O)C(Cc1cccc2c1cccc2)N" . "N#C[C@@H]1CCCN1C(=O)[C@H](Cc1cccc2c1cccc2)N" . "ZVRWNKCHASBEDZ-RDJZCZTQSA-N" . "InChI=1S/C18H19N3O/c19-12-15-8-4-10-21(15)18(22)17(20)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-3,5-7,9,15,17H,4,8,10-11,20H2/t15-,17-/m0/s1" . "O=c1sn(c(=O)n1Cc1ccccc1)c1cccc2c1cccc2" . "O=c1sn(c(=O)n1Cc1ccccc1)c1cccc2c1cccc2" . "PMJIHLSCWIDGMD-UHFFFAOYSA-N" . "InChI=1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2" . "O=C(N1CCC(C1)Cc1n[nH]c(=O)n1c1ccc(cc1)c1ccc2c(c1)cco2)C1CC1" . "O=C(N1CC[C@H](C1)Cc1n[nH]c(=O)n1c1ccc(cc1)c1ccc2c(c1)cco2)C1CC1" . "AQTPWCUIYUOEMG-INIZCTEOSA-N" . "InChI=1S/C25H24N4O3/c30-24(18-1-2-18)28-11-9-16(15-28)13-23-26-27-25(31)29(23)21-6-3-17(4-7-21)19-5-8-22-20(14-19)10-12-32-22/h3-8,10,12,14,16,18H,1-2,9,11,13,15H2,(H,27,31)/t16-/m0/s1" . "O=C(CCc1ccc(n1B(F)F)C=C1C=CC(=N1)c1cccs1)NCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2" . "O=C(CCc1ccc(n1B(F)F)/C=C/1/C=CC(=N1)c1cccs1)NCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2" . "QGXCAYBSIKPOHP-ORIPQNMZSA-N" . "InChI=1S/C40H43BF2N8O3S/c42-41(43)51-30(14-15-31(51)27-29-13-17-33(46-29)36-12-8-26-55-36)16-18-37(52)44-19-5-1-2-6-21-48-22-24-49(25-23-48)28-38(53)50-35-11-4-3-9-32(35)40(54)47-34-10-7-20-45-39(34)50/h3-4,7-15,17,20,26-27H,1-2,5-6,16,18-19,21-25,28H2,(H,44,52)(H,47,54)/b29-27+" . "[O-][N+](=O)c1ccc2c(c1)c(cc(n2)c1c[nH]c2c1cccc2)c1ccccc1" . "[O-][N+](=O)c1ccc2c(c1)c(cc(n2)c1c[nH]c2c1cccc2)c1ccccc1" . "LQGHUZLZFHCQPO-UHFFFAOYSA-N" . "InChI=1S/C23H15N3O2/c27-26(28)16-10-11-22-19(12-16)18(15-6-2-1-3-7-15)13-23(25-22)20-14-24-21-9-5-4-8-17(20)21/h1-14,24H" . "Clc1ccc2c(c1)c(cc(n2)c1c[nH]c2c1cccc2)c1ccccc1" . "Clc1ccc2c(c1)c(cc(n2)c1c[nH]c2c1cccc2)c1ccccc1" . "LTUZPODERZUPRD-UHFFFAOYSA-N" . "InChI=1S/C23H15ClN2/c24-16-10-11-22-19(12-16)18(15-6-2-1-3-7-15)13-23(26-22)20-14-25-21-9-5-4-8-17(20)21/h1-14,25H" . "CC(C(C(=O)NC(C(=O)NCc1ccc(cc1)C(=N)N)CCCN=C(N)N)NC(=O)C(NC(=O)Cc1ccc(cc1)CN=C(N)N)CCCN=C(N)N)(C)C" . "CC([C@@H](C(=O)N[C@H](C(=O)NCc1ccc(cc1)C(=N)N)CCCN=C(N)N)NC(=O)[C@@H](NC(=O)Cc1ccc(cc1)CN=C(N)N)CCCN=C(N)N)(C)C" . "HXVPWVPTVOOCMV-UNCTUWKVSA-N" . "InChI=1S/C36H57N15O4/c1-36(2,3)28(32(55)50-25(6-4-16-45-33(39)40)30(53)47-19-23-12-14-24(15-13-23)29(37)38)51-31(54)26(7-5-17-46-34(41)42)49-27(52)18-21-8-10-22(11-9-21)20-48-35(43)44/h8-15,25-26,28H,4-7,16-20H2,1-3H3,(H3,37,38)(H,47,53)(H,49,52)(H,50,55)(H,51,54)(H4,39,40,45)(H4,41,42,46)(H4,43,44,48)/t25-,26-,28+/m0/s1" . "O=C(c1ccc(c(c1)C(=O)[O-])c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S([O-])([O-])[O-])S([O-])([O-])[O-])N)NCCCCCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2[nH]c(=O)c2c1c(C)sc2" . "O=C(c1ccc(c(c1)C(=O)[O-])c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S([O-])([O-])[O-])S([O-])([O-])[O-])N)NCCCCCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2[nH]c(=O)c2c1c(C)sc2" . "SRLBGILQMKQWSJ-UHFFFAOYSA-H" . "InChI=1S/C49H57N7O12S3/c1-29-42-35(28-69-29)48(59)53-38-12-8-9-13-39(38)56(42)40(57)27-55-24-22-54(23-25-55)21-11-7-5-3-2-4-6-10-20-52-47(58)30-14-15-31(34(26-30)49(60)61)41-32-16-18-36(50)45(70(62,63)64)43(32)68-44-33(41)17-19-37(51)46(44)71(65,66)67/h8-9,12-19,26,28,50,62-67H,2-7,10-11,20-25,27,51H2,1H3,(H,52,58)(H,53,59)(H,60,61)/p-6" . "O=C(OC(C)(C)C)NCC(c1cc(F)ccc1F)Cc1cnc2c(c1)cccc2" . "O=C(OC(C)(C)C)NC[C@H](c1cc(F)ccc1F)Cc1cnc2c(c1)cccc2" . "IRFHMTUHTBSEBK-QGZVFWFLSA-N" . "InChI=1S/C23H24F2N2O2/c1-23(2,3)29-22(28)27-14-17(19-12-18(24)8-9-20(19)25)11-15-10-16-6-4-5-7-21(16)26-13-15/h4-10,12-13,17H,11,14H2,1-3H3,(H,27,28)/t17-/m1/s1" . "O=C(Cc1ccc2c(c1)C(C)(C)C1=C3C=C4C(OC3CCN21)CC[N+]1=C4C(C)(C)c2c1ccc(c2)S([O-])([O-])[O-])NCCCCCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2[nH]c(=O)c2c1c(C)sc2" . "O=C(Cc1ccc2c(c1)C(C)(C)C1=C3C=C4C(OC3CCN21)CC[N+]1=C4C(C)(C)c2c1ccc(c2)S([O-])([O-])[O-])NCCCCCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2[nH]c(=O)c2c1c(C)sc2" . "DGPHRPUJPHDIPO-UHFFFAOYSA-L" . "InChI=1S/C59H73N7O7S2/c1-38-54-43(37-74-38)57(69)61-46-16-12-13-17-49(46)66(54)53(68)36-63-30-28-62(29-31-63)25-15-11-9-7-6-8-10-14-24-60-52(67)33-39-18-20-47-44(32-39)58(2,3)55-41-35-42-51(73-50(41)22-26-64(47)55)23-27-65-48-21-19-40(75(70,71)72)34-45(48)59(4,5)56(42)65/h12-13,16-21,32,34-35,37,50-51H,6-11,14-15,22-31,33,36H2,1-5H3,(H4-,60,61,67,69,70,71,72)/p-2" . "COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)cc(c(=O)n2C)C" . "COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)cc(c(=O)n2C)C" . "UEMQPCYDWCSVCU-UHFFFAOYSA-N" . "InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3" . "COC(=O)NCC(c1cc(CCCCCc2ccc(cc2)NC(=O)C(N2CCCC(C2=O)N)C2CCCCC2)ccc1F)Cc1cnc2c(c1)cccc2" . "COC(=O)NC[C@H](c1cc(CCCCCc2ccc(cc2)NC(=O)[C@@H](N2CCC[C@@H](C2=O)N)C2CCCCC2)ccc1F)Cc1cnc2c(c1)cccc2" . "SDVPSGCYRLUZSS-WXSHXSFMSA-N" . "InChI=1S/C44H54FN5O4/c1-54-44(53)48-29-35(26-32-25-34-15-8-9-17-40(34)47-28-32)37-27-31(20-23-38(37)45)12-5-2-4-11-30-18-21-36(22-19-30)49-42(51)41(33-13-6-3-7-14-33)50-24-10-16-39(46)43(50)52/h8-9,15,17-23,25,27-28,33,35,39,41H,2-7,10-14,16,24,26,29,46H2,1H3,(H,48,53)(H,49,51)/t35-,39+,41+/m1/s1" . "COC(=O)NCC(c1ccc(cc1)OCCCCCc1ccc(cc1)NC(=O)C(N1CCCC(C1=O)N)C1CCCCC1)Cc1cnc2c(c1)cccc2" . "COC(=O)NC[C@H](c1ccc(cc1)OCCCCCc1ccc(cc1)NC(=O)[C@@H](N1CCC[C@@H](C1=O)N)C1CCCCC1)Cc1cnc2c(c1)cccc2" . "IGRIVAWLJUPVMM-UDEWTJCRSA-N" . "InChI=1S/C44H55N5O5/c1-53-44(52)47-30-36(28-32-27-35-14-7-8-16-40(35)46-29-32)33-19-23-38(24-20-33)54-26-9-3-4-11-31-17-21-37(22-18-31)48-42(50)41(34-12-5-2-6-13-34)49-25-10-15-39(45)43(49)51/h7-8,14,16-24,27,29,34,36,39,41H,2-6,9-13,15,25-26,28,30,45H2,1H3,(H,47,52)(H,48,50)/t36-,39+,41+/m1/s1" . "O=C1CCCN1CC#CC[N+](C)(C)C" . "O=C1CCCN1CC#CC[N+](C)(C)C" . "CANZROMYQDHYHR-UHFFFAOYSA-N" . "InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1" . "CN1CCN(CC1)CC(=O)n1c2ccccc2[nH]c(=O)c2c1c(C)sc2" . "CN1CCN(CC1)CC(=O)n1c2ccccc2[nH]c(=O)c2c1c(C)sc2" . "VSWPGAIWKHPTKX-UHFFFAOYSA-N" . "InChI=1S/C19H22N4O2S/c1-13-18-14(12-26-13)19(25)20-15-5-3-4-6-16(15)23(18)17(24)11-22-9-7-21(2)8-10-22/h3-6,12H,7-11H2,1-2H3,(H,20,25)" . "CC(=O)OCC[N+](C)(C)C" . "CC(=O)OCC[N+](C)(C)C" . "OIPILFWXSMYKGL-UHFFFAOYSA-N" . "InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1" . "O=C(C(c1cccs1)(c1cccs1)O)OC1CC2C3C(C(C1)[N+]2(C)C)O3" . "O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3" . "LERNTVKEWCAPOY-FPISHFTHSA-N" . "InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11?,12-,13+,16-,17+" . "CN(C(=O)c1noc(c1)COc1cccc(c1)C(=O)C)C(c1ccccn1)C" . "CN(C(=O)c1noc(c1)COc1cccc(c1)C(=O)C)[C@H](c1ccccn1)C" . "JMYDHMCYZKRDPD-AWEZNQCLSA-N" . "InChI=1S/C21H21N3O4/c1-14(19-9-4-5-10-22-19)24(3)21(26)20-12-18(28-23-20)13-27-17-8-6-7-16(11-17)15(2)25/h4-12,14H,13H2,1-3H3/t14-/m0/s1" . "COC(=O)c1cn(cc1CCC(=O)O)CC(C(c1cc(OC)c(c(c1)OC)C(=O)C)O)CC1Cc2c(C1)cccc2" . "COC(=O)c1cn(cc1CCC(=O)O)C[C@@H]([C@@H](c1cc(OC)c(c(c1)OC)C(=O)C)O)CC1Cc2c(C1)cccc2" . "URHZQBASTULQKJ-VVFBEHOQSA-N" . "InChI=1S/C32H37NO8/c1-19(34)30-27(39-2)14-24(15-28(30)40-3)31(37)25(13-20-11-21-7-5-6-8-22(21)12-20)17-33-16-23(9-10-29(35)36)26(18-33)32(38)41-4/h5-8,14-16,18,20,25,31,37H,9-13,17H2,1-4H3,(H,35,36)/t25-,31+/m0/s1" . "COC(=O)c1cn(cc1CC(=O)O)CC(C(c1cc(OC)c(c(c1)OC)C)O)CC1Cc2c(C1)cccc2" . "COC(=O)c1cn(cc1CC(=O)O)C[C@@H]([C@@H](c1cc(OC)c(c(c1)OC)C)O)CC1Cc2c(C1)cccc2" . "PMPFDANPLYTSTM-PWUYWRBVSA-N" . "InChI=1S/C30H35NO7/c1-18-26(36-2)12-22(13-27(18)37-3)29(34)24(11-19-9-20-7-5-6-8-21(20)10-19)16-31-15-23(14-28(32)33)25(17-31)30(35)38-4/h5-8,12-13,15,17,19,24,29,34H,9-11,14,16H2,1-4H3,(H,32,33)/t24-,29+/m0/s1" . "COc1cc(cc(c1C)OC)C(C(OC1Cc2c(C1)cccc2)COc1ccc(cc1)C1(CC1)C(=O)O)O" . "COc1cc(cc(c1C)OC)[C@H]([C@@H](OC1Cc2c(C1)cccc2)COc1ccc(cc1)C1(CC1)C(=O)O)O" . "FVESDCZDESZGHA-URLMMPGGSA-N" . "InChI=1S/C31H34O7/c1-19-26(35-2)16-22(17-27(19)36-3)29(32)28(38-25-14-20-6-4-5-7-21(20)15-25)18-37-24-10-8-23(9-11-24)31(12-13-31)30(33)34/h4-11,16-17,25,28-29,32H,12-15,18H2,1-3H3,(H,33,34)/t28-,29+/m0/s1" . "O=C(c1ccc(cc1)OCC1CC1)Nc1ccc2c(c1C)ncc(c2)C(N1CCCC1)C" . "O=C(c1ccc(cc1)OCC1CC1)Nc1ccc2c(c1C)ncc(c2)[C@H](N1CCCC1)C" . "DFWKNBVJNXPUBW-LJQANCHMSA-N" . "InChI=1S/C27H31N3O2/c1-18-25(29-27(31)21-7-10-24(11-8-21)32-17-20-5-6-20)12-9-22-15-23(16-28-26(18)22)19(2)30-13-3-4-14-30/h7-12,15-16,19-20H,3-6,13-14,17H2,1-2H3,(H,29,31)/t19-/m1/s1" . "CN(C(=O)C(c1ccccc1)(c1ccccc1)O)CC1C2C1CNC2" . "CN(C(=O)C(c1ccccc1)(c1ccccc1)O)C[C@@H]1[C@H]2[C@@H]1CNC2" . "AARSINSGAQDAKQ-REPLKXPHSA-N" . "InChI=1S/C21H24N2O2/c1-23(14-19-17-12-22-13-18(17)19)20(24)21(25,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17-19,22,25H,12-14H2,1H3/t17-,18+,19-" . "Clc1ccc(cc1)C1C(CCC(=O)N1c1ccc2c(c1)n(C)c(=O)cc2C)NS(=O)(=O)CC(C)C" . "Clc1ccc(cc1)[C@@H]1[C@H](CCC(=O)N1c1ccc2c(c1)n(C)c(=O)cc2C)NS(=O)(=O)CC(C)C" . "LVDRREOUMKACNJ-BKMJKUGQSA-N" . "InChI=1S/C26H30ClN3O4S/c1-16(2)15-35(33,34)28-22-11-12-24(31)30(26(22)18-5-7-19(27)8-6-18)20-9-10-21-17(3)13-25(32)29(4)23(21)14-20/h5-10,13-14,16,22,26,28H,11-12,15H2,1-4H3/t22-,26+/m0/s1" . "N#Cc1ccc(cc1)c1n(cnc1c1cnn(c1)C)CCc1cnn(c1)C" . "N#Cc1ccc(cc1)c1n(cnc1c1cnn(c1)C)CCc1cnn(c1)C" . "RRZVGDGTWNQAPW-UHFFFAOYSA-N" . "InChI=1S/C20H19N7/c1-25-12-16(10-23-25)7-8-27-14-22-19(18-11-24-26(2)13-18)20(27)17-5-3-15(9-21)4-6-17/h3-6,10-14H,7-8H2,1-2H3" . "OC(=O)C(=Cc1c[nH]c2c1cc(Br)cc2)S" . "OC(=O)/C(=C/c1c[nH]c2c1cc(Br)cc2)/S" . "RLEKFRNXGFHPHZ-KMKOMSMNSA-N" . "InChI=1S/C11H8BrNO2S/c12-7-1-2-9-8(4-7)6(5-13-9)3-10(16)11(14)15/h1-5,13,16H,(H,14,15)/b10-3-" . "OCC(C(=O)NC1CSSCC(NC(=O)C(NC(=O)C2CSSCC(NC(=O)C(NC1=O)Cc1ccc(cc1)O)C(=O)NC(CO)C(=O)NCC(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CCC(=O)O)Cc1ccccc1)CCCNC(=N)N)Cc1c[nH]c2c1cccc2)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NCC(=O)NCC(=O)NC(C(=O)N)CCCCNC(=O)CCCCCN1c2ccc(cc2C(C1=CC=CC=CC1=[N+](CCCCS(=O)(=O)O)c2c(C1(C)CCCCS(=O)(=O)O)cc(cc2)S(=O)(=O)[O-])(C)C)S(=O)(=O)O)C(O)C)CCC(=O)O)C(O)C)CCC(=O)O)Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C)C" . "OC[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CCC(=O)O)Cc1ccccc1)CCCNC(=N)N)Cc1c[nH]c2c1cccc2)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N)CCCCNC(=O)CCCCCN1c2ccc(cc2C(/C/1=C/C=C/C=C/C1=[N+](CCCCS(=O)(=O)O)c2c(C1(C)CCCCS(=O)(=O)O)cc(cc2)S(=O)(=O)[O-])(C)C)S(=O)(=O)O)[C@H](O)C)CCC(=O)O)[C@H](O)C)CCC(=O)O)Cc1ccc(cc1)O)NC(=O)CNC(=O)[C@@H](NC(=O)C)C" . "UQYUYHHXESUXGH-ABPLELQPSA-N" . "InChI=1S/C156H212N34O52S8/c1-85(169-88(4)195)135(212)165-76-126(202)171-111(80-192)145(222)184-114-83-245-244-82-113(183-144(221)109(69-92-72-162-100-31-17-16-30-97(92)100)179-148(225)112-81-243-246-84-115(182-143(220)108(178-147(114)224)68-91-41-45-94(197)46-42-91)149(226)180-110(79-191)137(214)168-78-128(204)189-62-27-35-119(189)153(230)190-63-26-34-118(190)150(227)174-102(33-25-59-161-154(158)159)138(215)176-106(66-89-28-11-8-12-29-89)141(218)172-104(139(216)181-112)50-55-130(207)208)146(223)177-107(67-90-39-43-93(196)44-40-90)142(219)173-105(51-56-131(209)210)140(217)186-133(87(3)194)152(229)175-103(49-54-129(205)206)136(213)166-77-127(203)185-132(86(2)193)151(228)167-74-124(200)163-73-123(199)164-75-125(201)170-101(134(157)211)32-18-20-58-160-122(198)38-15-10-21-60-187-116-52-47-95(249(237,238)239)70-98(116)155(5,6)120(187)36-13-9-14-37-121-156(7,57-19-23-64-247(231,232)233)99-71-96(250(240,241)242)48-53-117(99)188(121)61-22-24-65-248(234,235)236/h8-9,11-14,16-17,28-31,36-37,39-48,52-53,70-72,85-87,101-115,118-119,132-133,162,191-194H,10,15,18-27,32-35,38,49-51,54-69,73-84H2,1-7H3,(H39-,157,158,159,160,161,163,164,165,166,167,168,169,170,171,172,173,174,175,176,177,178,179,180,181,182,183,184,185,186,195,196,197,198,199,200,201,202,203,205,206,207,208,209,210,211,212,213,214,215,216,217,218,219,220,221,222,223,224,225,226,227,228,229,231,232,233,234,235,236,237,238,239,240,241,242)/t85-,86+,87+,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,118-,119-,132-,133-,156?/m0/s1" . "CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC" . "CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC" . "BCUGCHZRMKTPMU-UHFFFAOYSA-N" . "InChI=1S/C27H37N5O2/c1-3-30(4-2)17-8-7-10-21-14-18-31(19-15-21)20-25(33)32-24-13-6-5-11-22(24)27(34)29-23-12-9-16-28-26(23)32/h5-6,9,11-13,16,21H,3-4,7-8,10,14-15,17-20H2,1-2H3,(H,29,34)" . "CN1CCC(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1c(Cl)ccc2" . "CN1CCC(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1c(Cl)ccc2" . "UFJWXHOFKIGIAF-UHFFFAOYSA-N" . "InChI=1S/C21H22ClN3O2/c1-24-11-9-14(10-12-24)13-19(26)25-18-8-3-2-5-15(18)21(27)23-17-7-4-6-16(22)20(17)25/h2-8,14H,9-13H2,1H3,(H,23,27)" . "O=C(Nc1ccc2c(c1)ccnc2)NCC(=O)N1CCCC1" . "O=C(Nc1ccc2c(c1)ccnc2)NCC(=O)N1CCCC1" . "DMIDPTCQPIJYFE-UHFFFAOYSA-N" . "InChI=1S/C16H18N4O2/c21-15(20-7-1-2-8-20)11-18-16(22)19-14-4-3-13-10-17-6-5-12(13)9-14/h3-6,9-10H,1-2,7-8,11H2,(H2,18,19,22)" . "NC(=NCCCC(C(=O)NC(C(=O)NC(=C)C(=O)NC(C(=O)NC(C(=O)O)C)C(C)C)C)N)N" . "NC(=NCCC[C@@H](C(=O)N[C@H](C(=O)NC(=C)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)C(C)C)C)N)N" . "VZQHRKZCAZCACO-PYJNHQTQSA-N" . "InChI=1S/C20H36N8O6/c1-9(2)14(18(32)27-12(5)19(33)34)28-16(30)11(4)25-15(29)10(3)26-17(31)13(21)7-6-8-24-20(22)23/h9-10,12-14H,4,6-8,21H2,1-3,5H3,(H,25,29)(H,26,31)(H,27,32)(H,28,30)(H,33,34)(H4,22,23,24)/t10-,12-,13-,14-/m0/s1" . "CCC(C(=O)N1C(Cc2c1cccc2F)C(=O)NCC(F)(F)F)N" . "CC[C@@H](C(=O)N1[C@H](Cc2c1cccc2F)C(=O)NCC(F)(F)F)N" . "GNYDXSHWPPTVEX-CMPLNLGQSA-N" . "InChI=1S/C15H17F4N3O2/c1-2-10(20)14(24)22-11-5-3-4-9(16)8(11)6-12(22)13(23)21-7-15(17,18)19/h3-5,10,12H,2,6-7,20H2,1H3,(H,21,23)/t10-,12+/m0/s1" . "NCCCCN(C1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2" . "NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2" . "WVLHHLRVNDMIAR-IBGZPJMESA-N" . "InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1" . "OCCCC1C(OCC)OC(=CC1c1csc2c1cccc2)C(=O)Nc1ccccc1" . "OCCC[C@@H]1[C@@H](OCC)OC(=C[C@H]1c1csc2c1cccc2)C(=O)Nc1ccccc1" . "DPIFUIZFNOZKRB-DFIYOIEZSA-N" . "InChI=1S/C25H27NO4S/c1-2-29-25-19(12-8-14-27)20(21-16-31-23-13-7-6-11-18(21)23)15-22(30-25)24(28)26-17-9-4-3-5-10-17/h3-7,9-11,13,15-16,19-20,25,27H,2,8,12,14H2,1H3,(H,26,28)/t19-,20+,25-/m0/s1" . "SC1CN(CC1NS(=O)(=O)c1ccc(cc1)Oc1ccccc1)C(=O)CCCCCNC(=O)C" . "S[C@H]1CN(C[C@@H]1NS(=O)(=O)c1ccc(cc1)Oc1ccccc1)C(=O)CCCCCNC(=O)C" . "MUWDEQLPHWVPPA-GOTSBHOMSA-N" . "InChI=1S/C24H31N3O5S2/c1-18(28)25-15-7-3-6-10-24(29)27-16-22(23(33)17-27)26-34(30,31)21-13-11-20(12-14-21)32-19-8-4-2-5-9-19/h2,4-5,8-9,11-14,22-23,26,33H,3,6-7,10,15-17H2,1H3,(H,25,28)/t22-,23-/m0/s1" . "COc1cc(cc2c1n(C)c(n2)c1cc2c(n1CC1CC1)cccc2)C(=O)N1CCC(C(C1)N)O" . "COc1cc(cc2c1n(C)c(n2)c1cc2c(n1CC1CC1)cccc2)C(=O)N1CC[C@H]([C@H](C1)N)O" . "BDYDINKSILYBOL-WMZHIEFXSA-N" . "InChI=1S/C27H31N5O3/c1-30-25-20(11-18(13-24(25)35-2)27(34)31-10-9-23(33)19(28)15-31)29-26(30)22-12-17-5-3-4-6-21(17)32(22)14-16-7-8-16/h3-6,11-13,16,19,23,33H,7-10,14-15,28H2,1-2H3/t19-,23+/m0/s1" . "CCN(C(=O)CNCc1nccc(c1)C(=O)N)CCN(C)C" . "CCN(C(=O)CNCc1nccc(c1)C(=O)N)CCN(C)C" . "PNFMVADNCOGWME-UHFFFAOYSA-N" . "InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)" . "COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCC1)n(c(=O)n2C)C" . "COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCC1)n(c(=O)n2C)C" . "QCIJLRJBZDBVDB-UHFFFAOYSA-N" . "InChI=1S/C21H24N4O3/c1-23-17-12-15(22-20(26)14-8-4-5-9-19(14)28-3)16(25-10-6-7-11-25)13-18(17)24(2)21(23)27/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,22,26)" . "NC(=O)CCC(C(=O)O)N" . "NC(=O)CC[C@@H](C(=O)O)N" . "ZDXPYRJPNDTMRX-VKHMYHEASA-N" . "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1" . "CCC(C(=O)C(=O)NCC(c1ccccc1)O)NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C" . "CCC(C(=O)C(=O)NCC(c1ccccc1)O)NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C" . "CZZWUFZBGQIPTE-UHFFFAOYSA-N" . "InChI=1S/C27H35N3O6/c1-4-21(24(32)26(34)28-16-23(31)20-13-9-6-10-14-20)29-25(33)22(15-18(2)3)30-27(35)36-17-19-11-7-5-8-12-19/h5-14,18,21-23,31H,4,15-17H2,1-3H3,(H,28,34)(H,29,33)(H,30,35)" . "ONC(=O)C1(CCN(CC1)C(=O)OC1CCCC1O)CS(=O)(=O)N1CCC(CC1)c1ccccc1C" . "ONC(=O)C1(CCN(CC1)C(=O)OC1CCCC1O)CS(=O)(=O)N1CCC(CC1)c1ccccc1C" . "JRYQAIVHIZIBOQ-UHFFFAOYSA-N" . "InChI=1S/C25H37N3O7S/c1-18-5-2-3-6-20(18)19-9-13-28(14-10-19)36(33,34)17-25(23(30)26-32)11-15-27(16-12-25)24(31)35-22-8-4-7-21(22)29/h2-3,5-6,19,21-22,29,32H,4,7-17H2,1H3,(H,26,30)" . "ONC(=O)CC(C(=O)NC(C(=O)Nc1ccc(cc1)C(=O)OC)CC(C)C)CC(C)C" . "ONC(=O)C[C@H](C(=O)N[C@H](C(=O)Nc1ccc(cc1)C(=O)OC)CC(C)C)CC(C)C" . "CEEASCNCHQSPKF-AEFFLSMTSA-N" . "InChI=1S/C22H33N3O6/c1-13(2)10-16(12-19(26)25-30)20(27)24-18(11-14(3)4)21(28)23-17-8-6-15(7-9-17)22(29)31-5/h6-9,13-14,16,18,30H,10-12H2,1-5H3,(H,23,28)(H,24,27)(H,25,26)/t16-,18+/m1/s1" . "O=CC(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C)CCC(=O)O)CC(=O)O" . "O=C[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)C)CCC(=O)O)CC(=O)O" . "KYUFGGNCJRWMDN-GOYXDOSHSA-N" . "InChI=1S/C22H36N4O9/c1-6-12(4)19(22(35)24-14(10-27)9-17(31)32)26-20(33)15(7-8-16(29)30)25-21(34)18(11(2)3)23-13(5)28/h10-12,14-15,18-19H,6-9H2,1-5H3,(H,23,28)(H,24,35)(H,25,34)(H,26,33)(H,29,30)(H,31,32)/t12-,14-,15-,18-,19-/m0/s1" . "O=C1Cc2c(ccc(c2CCC1N)Br)c1ccccc1" . "O=C1Cc2c(ccc(c2CCC1N)Br)c1ccccc1" . "XFZZDIHCNHYESF-UHFFFAOYSA-N" . "InChI=1S/C17H16BrNO/c18-15-8-6-12(11-4-2-1-3-5-11)14-10-17(20)16(19)9-7-13(14)15/h1-6,8,16H,7,9-10,19H2" . "OB(C1CCCN1C(=O)C(C(C)C)NC(=O)c1ccncc1)O" . "OB([C@H]1CCCN1C(=O)[C@@H](C(C)C)NC(=O)c1ccncc1)O" . "MXZNUGFCDVAXLG-CHWSQXEVSA-N" . "InChI=1S/C15H22BN3O4/c1-10(2)13(18-14(20)11-5-7-17-8-6-11)15(21)19-9-3-4-12(19)16(22)23/h5-8,10,12-13,22-23H,3-4,9H2,1-2H3,(H,18,20)/t12-,13-/m1/s1" . "OB(C1CCCN1C(=O)C(NC(=O)c1ccncc1)C)O" . "OB([C@@H]1CCCN1C(=O)[C@H](NC(=O)c1ccncc1)C)O" . "DRBWRJPFNOBNIO-KOLCDFICSA-N" . "InChI=1S/C13H18BN3O4/c1-9(16-12(18)10-4-6-15-7-5-10)13(19)17-8-2-3-11(17)14(20)21/h4-7,9,11,20-21H,2-3,8H2,1H3,(H,16,18)/t9-,11+/m1/s1" . "CC(n1c(C)ncc1c1ccnc(n1)Nc1ccc(cc1)S(=O)(=O)C)C" . "CC(n1c(C)ncc1c1ccnc(n1)Nc1ccc(cc1)S(=O)(=O)C)C" . "WJRRGYBTGDJBFX-UHFFFAOYSA-N" . "InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)" . "ONC(=O)C(N(S(=O)(=O)c1ccc(cc1)OC)Cc1ccc2c(c1)OCO2)Cc1cccs1" . "ONC(=O)[C@H](N(S(=O)(=O)c1ccc(cc1)OC)Cc1ccc2c(c1)OCO2)Cc1cccs1" . "PGEHBYYTLWHQOM-LJQANCHMSA-N" . "InChI=1S/C22H22N2O7S2/c1-29-16-5-7-18(8-6-16)33(27,28)24(13-15-4-9-20-21(11-15)31-14-30-20)19(22(25)23-26)12-17-3-2-10-32-17/h2-11,19,26H,12-14H2,1H3,(H,23,25)/t19-/m1/s1" . "COc1c(OC)c(OC)c2c(c1O)c(=O)c1c(n2C)c(O)ccc1" . "COc1c(OC)c(OC)c2c(c1O)c(=O)c1c(n2C)c(O)ccc1" . "QYPQTPVQPNLXHV-UHFFFAOYSA-N" . "InChI=1S/C17H17NO6/c1-18-11-8(6-5-7-9(11)19)13(20)10-12(18)15(22-2)17(24-4)16(23-3)14(10)21/h5-7,19,21H,1-4H3" . "CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)CSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)CCCCN)CCCCN)CCCCN)CO)N" . "CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCCN)CCCCN)CCCCN)CCCCN)CO)N" . "LJUIOEFZFQRWJG-KKIBDXJDSA-N" . "InChI=1S/C65H126N10O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-41-58(77)86-48-51(87-59(78)42-28-26-24-22-20-18-16-14-12-10-8-6-4-2)49-88-50-52(70)60(79)75-57(47-76)64(83)73-54(38-30-34-44-67)62(81)71-53(37-29-33-43-66)61(80)72-55(39-31-35-45-68)63(82)74-56(65(84)85)40-32-36-46-69/h51-57,76H,3-50,66-70H2,1-2H3,(H,71,81)(H,72,80)(H,73,83)(H,74,82)(H,75,79)(H,84,85)/t51?,52-,53-,54-,55-,56-,57-/m0/s1" . "O=C(c1ccc(cc1)N=C(N)N)Oc1ccc(cc1)C" . "O=C(c1ccc(cc1)N=C(N)N)Oc1ccc(cc1)C" . "OELAPCOUDOSGBC-UHFFFAOYSA-N" . "InChI=1S/C15H15N3O2/c1-10-2-8-13(9-3-10)20-14(19)11-4-6-12(7-5-11)18-15(16)17/h2-9H,1H3,(H4,16,17,18)" . "CC(=O)NC(C(=O)N1CCN(CC1)c1nc(nc2c1cccc2)c1ccccn1)Cc1ccccc1" . "CC(=O)N[C@H](C(=O)N1CCN(CC1)c1nc(nc2c1cccc2)c1ccccn1)Cc1ccccc1" . "NHHPRDYQOKYIBK-VWLOTQADSA-N" . "InChI=1S/C28H28N6O2/c1-20(35)30-25(19-21-9-3-2-4-10-21)28(36)34-17-15-33(16-18-34)27-22-11-5-6-12-23(22)31-26(32-27)24-13-7-8-14-29-24/h2-14,25H,15-19H2,1H3,(H,30,35)/t25-/m0/s1" . "OC(=O)c1ccc(cc1)NC(c1ccc2c(c1O)nccc2)c1ccccc1" . "OC(=O)c1ccc(cc1)NC(c1ccc2c(c1O)nccc2)c1ccccc1" . "PSCFZETTYRDCRM-UHFFFAOYSA-N" . "InChI=1S/C23H18N2O3/c26-22-19(13-10-16-7-4-14-24-21(16)22)20(15-5-2-1-3-6-15)25-18-11-8-17(9-12-18)23(27)28/h1-14,20,25-26H,(H,27,28)" . "CC#Cc1cncc(c1)c1csc(c1)C1(C)CC(=O)N(C(=N1)N)C" . "CC#Cc1cncc(c1)c1csc(c1)[C@]1(C)CC(=O)N(C(=N1)N)C" . "IKFZEHQGULJMKI-SFHVURJKSA-N" . "InChI=1S/C18H18N4OS/c1-4-5-12-6-13(10-20-9-12)14-7-15(24-11-14)18(2)8-16(23)22(3)17(19)21-18/h6-7,9-11H,8H2,1-3H3,(H2,19,21)/t18-/m0/s1" . "OC(=O)CCC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(B1OC2C(O1)(C)C1CC(C2)C1(C)C)CCc1ccc(cc1)F)C(C)C)C(C)C)NC(=O)C(CC(=O)O)N" . "OC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)N[C@H](B1O[C@H]2[C@](O1)(C)[C@H]1C[C@@H](C2)C1(C)C)CCc1ccc(cc1)F)C(C)C)C(C)C)NC(=O)[C@H](CC(=O)O)N" . "JAXFJECJQZDFJS-XHEPKHHKSA-N" . "InChI=1S/C43H64BFN6O11/c1-22(2)35(49-38(57)28(15-17-33(52)53)47-37(56)27(46)21-34(54)55)40(59)50-36(23(3)4)41(60)51-18-8-9-29(51)39(58)48-32(16-12-24-10-13-26(45)14-11-24)44-61-31-20-25-19-30(42(25,5)6)43(31,7)62-44/h10-11,13-14,22-23,25,27-32,35-36H,8-9,12,15-21,46H2,1-7H3,(H,47,56)(H,48,58)(H,49,57)(H,50,59)(H,52,53)(H,54,55)/t25-,27-,28-,29+,30-,31+,32-,35-,36-,43-/m0/s1" . "Brc1ccc(cc1)C1CC(CCC1C(=O)NC(c1ccnc(c1)F)c1ccc(cc1)Cl)N1CCOCC1" . "Brc1ccc(cc1)[C@@H]1C[C@@H](CC[C@H]1C(=O)NC(c1ccnc(c1)F)c1ccc(cc1)Cl)N1CCOCC1" . "ABJSOROVZZKJGI-OCYUSGCXSA-N" . "InChI=1S/C29H30BrClFN3O2/c30-22-5-1-19(2-6-22)26-18-24(35-13-15-37-16-14-35)9-10-25(26)29(36)34-28(20-3-7-23(31)8-4-20)21-11-12-33-27(32)17-21/h1-8,11-12,17,24-26,28H,9-10,13-16,18H2,(H,34,36)/t24-,25-,26+,28?/m1/s1" . "O=CN(C1(CCN(CC1)C(=O)C1CCC1)CS(=O)(=O)N1CCC(CC1)CCc1ccc(cc1C)Cl)O" . "O=CN(C1(CCN(CC1)C(=O)C1CCC1)CS(=O)(=O)N1CCC(CC1)CCc1ccc(cc1C)Cl)O" . "SIXCEPSXNLUZTE-UHFFFAOYSA-N" . "InChI=1S/C26H38ClN3O5S/c1-20-17-24(27)8-7-22(20)6-5-21-9-13-29(14-10-21)36(34,35)18-26(30(33)19-31)11-15-28(16-12-26)25(32)23-3-2-4-23/h7-8,17,19,21,23,33H,2-6,9-16,18H2,1H3" . "C(=Cc1ccc(cc1)c1ccccc1)C1CN2CCC1CC2" . "C(=C/c1ccc(cc1)c1ccccc1)/C1CN2CCC1CC2" . "OBORHRVWTIDYCG-DHZHZOJOSA-N" . "InChI=1S/C21H23N/c1-2-4-18(5-3-1)19-9-6-17(7-10-19)8-11-21-16-22-14-12-20(21)13-15-22/h1-11,20-21H,12-16H2/b11-8+" . "NC(C(=O)N1Cc2c(C1)cccc2)CC(=O)N1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F" . "N[C@H](C(=O)N1Cc2c(C1)cccc2)CC(=O)N1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F" . "ZKIQFLSGMMYCGS-SANMLTNESA-N" . "InChI=1S/C29H30F2N4O2/c30-24-9-5-20(6-10-24)28(21-7-11-25(31)12-8-21)34-15-13-33(14-16-34)27(36)17-26(32)29(37)35-18-22-3-1-2-4-23(22)19-35/h1-12,26,28H,13-19,32H2/t26-/m0/s1" . "NCc1c(C)nc2n(c1c1ccc(cc1Cl)Cl)cc(n2)C(=O)NCCc1ccccn1" . "NCc1c(C)nc2n(c1c1ccc(cc1Cl)Cl)cc(n2)C(=O)NCCc1ccccn1" . "JGJABGSOYWQCSC-UHFFFAOYSA-N" . "InChI=1S/C22H20Cl2N6O/c1-13-17(11-25)20(16-6-5-14(23)10-18(16)24)30-12-19(29-22(30)28-13)21(31)27-9-7-15-4-2-3-8-26-15/h2-6,8,10,12H,7,9,11,25H2,1H3,(H,27,31)" . "OC1CCCCC1n1cnc2c(c1=O)cc(c1c2cccc1)Cc1ccc(nc1)c1cnn(c1)C" . "O[C@H]1CCCC[C@@H]1n1cnc2c(c1=O)cc(c1c2cccc1)Cc1ccc(nc1)c1cnn(c1)C" . "SXJQBWJPNSOKQV-UIOOFZCWSA-N" . "InChI=1S/C28H27N5O2/c1-32-16-20(15-31-32)24-11-10-18(14-29-24)12-19-13-23-27(22-7-3-2-6-21(19)22)30-17-33(28(23)35)25-8-4-5-9-26(25)34/h2-3,6-7,10-11,13-17,25-26,34H,4-5,8-9,12H2,1H3/t25-,26-/m0/s1" . "CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1cn(c2c1cc(cn2)c1ccc(cc1)Cl)Cc1cc(OC)c(cc1N(=O)=O)OC)F" . "CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1cn(c2c1cc(cn2)c1ccc(cc1)Cl)Cc1cc(OC)c(cc1N(=O)=O)OC)F" . "JMMXKBJIBAVJSU-UHFFFAOYSA-N" . "InChI=1S/C32H27ClF2N4O7S/c1-4-11-47(43,44)37-25-10-9-24(34)29(30(25)35)31(40)23-17-38(16-20-13-27(45-2)28(46-3)14-26(20)39(41)42)32-22(23)12-19(15-36-32)18-5-7-21(33)8-6-18/h5-10,12-15,17,37H,4,11,16H2,1-3H3" . "O=C(NC(C(=O)NC(C(=O)Nc1ccc2c(c1)[nH]c(=O)cc2C)CCCNC(=O)OC(C)(C)C)CC1CCCCC1)OCC1C2C=CC=CC2c2c1cccc2" . "O=C(N[C@H](C(=O)N[C@H](C(=O)Nc1ccc2c(c1)[nH]c(=O)cc2C)CCCNC(=O)OC(C)(C)C)CC1CCCCC1)OCC1C2C=CC=CC2c2c1cccc2" . "DSRPDMJWEFCXMI-GHKFOJCISA-N" . "InChI=1S/C44H55N5O7/c1-27-23-39(50)47-37-25-29(20-21-30(27)37)46-40(51)36(19-12-22-45-42(53)56-44(2,3)4)48-41(52)38(24-28-13-6-5-7-14-28)49-43(54)55-26-35-33-17-10-8-15-31(33)32-16-9-11-18-34(32)35/h8-11,15-18,20-21,23,25,28,31,33,35-36,38H,5-7,12-14,19,22,24,26H2,1-4H3,(H,45,53)(H,46,51)(H,47,50)(H,48,52)(H,49,54)/t31?,33?,35?,36-,38-/m0/s1" . "CCN(c1ccc(cc1)CC(=O)NCCCn1c(C)cc2c1cccc2)CC" . "CCN(c1ccc(cc1)CC(=O)NCCCn1c(C)cc2c1cccc2)CC" . "NBHMEDLJHJCMEZ-UHFFFAOYSA-N" . "InChI=1S/C24H31N3O/c1-4-26(5-2)22-13-11-20(12-14-22)18-24(28)25-15-8-16-27-19(3)17-21-9-6-7-10-23(21)27/h6-7,9-14,17H,4-5,8,15-16,18H2,1-3H3,(H,25,28)" . "Ic1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)O" . "Ic1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)O" . "XXZKJJYWINSUMJ-UHFFFAOYSA-N" . "InChI=1S/C15H9IO4/c16-9-1-4-11(5-2-9)20-14-8-19-13-7-10(17)3-6-12(13)15(14)18/h1-8,17H" . "COc1cc(N=Nc2ccccn2)ccc1NC(=O)c1ccccc1Cl" . "COc1cc(/N=N/c2ccccn2)ccc1NC(=O)c1ccccc1Cl" . "JJRNGNCTPCWXGM-WCWDXBQESA-N" . "InChI=1S/C19H15ClN4O2/c1-26-17-12-13(23-24-18-8-4-5-11-21-18)9-10-16(17)22-19(25)14-6-2-3-7-15(14)20/h2-12H,1H3,(H,22,25)/b24-23+" . "ON=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2C(CCCC(C)C)C)C)C" . "O/N=C/1/CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCCC(C)C)C)C)C" . "QNTASHOAVRSLMD-FCARAQADSA-N" . "InChI=1S/C27H45NO/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28-29)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25,29H,6-16H2,1-5H3/b28-21-/t19-,22+,23-,24+,25+,26+,27-/m1/s1" . "NC(=O)CCC(C(=O)O)N" . "NC(=O)CC[C@@H](C(=O)O)N" . "ZDXPYRJPNDTMRX-VKHMYHEASA-N" . "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1" . "COCc1cccc(c1)CC(C=CC1C(O)CC(=O)C1CCSCCCC(=O)O)O" . "COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O)O" . "ORSJUPRAHPZYRL-XHTUOEPPSA-N" . "InChI=1S/C23H32O6S/c1-29-15-17-5-2-4-16(12-17)13-18(24)7-8-19-20(22(26)14-21(19)25)9-11-30-10-3-6-23(27)28/h2,4-5,7-8,12,18-21,24-25H,3,6,9-11,13-15H2,1H3,(H,27,28)/b8-7+/t18-,19-,20-,21-/m1/s1" . "OC(=O)C(=O)C=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C" . "OC(=O)C(=O)/C=C/c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C" . "XIQDGAUDNMVMCD-BQYQJAHWSA-N" . "InChI=1S/C18H24O4/c1-17(2,3)12-9-11(7-8-14(19)16(21)22)10-13(15(12)20)18(4,5)6/h7-10,20H,1-6H3,(H,21,22)/b8-7+" . "COc1ccc(cc1)C(=O)N1CCC(C1)(COc1ccc(cc1)c1ccc(cc1)C#N)C(=O)O" . "COc1ccc(cc1)C(=O)N1CCC(C1)(COc1ccc(cc1)c1ccc(cc1)C#N)C(=O)O" . "MDVYCLAYSVNYDS-UHFFFAOYSA-N" . "InChI=1S/C27H24N2O5/c1-33-23-10-8-22(9-11-23)25(30)29-15-14-27(17-29,26(31)32)18-34-24-12-6-21(7-13-24)20-4-2-19(16-28)3-5-20/h2-13H,14-15,17-18H2,1H3,(H,31,32)" . "OC(=O)Cc1cccc2c1cc(n2C(=O)c1ccc(cc1)OCC1CN(C)c2c(O1)ccc(c2)C)C" . "OC(=O)Cc1cccc2c1cc(n2C(=O)c1ccc(cc1)OC[C@@H]1CN(C)c2c(O1)ccc(c2)C)C" . "PDLHJVXUGHZZQP-QHCPKHFHSA-N" . "InChI=1S/C29H28N2O5/c1-18-7-12-27-26(13-18)30(3)16-23(36-27)17-35-22-10-8-20(9-11-22)29(34)31-19(2)14-24-21(15-28(32)33)5-4-6-25(24)31/h4-14,23H,15-17H2,1-3H3,(H,32,33)/t23-/m0/s1" . "CN(CCN1CC(c2c1cc(Cl)cc2)C(=O)N1CCC2(CC1)OCc1c2cccc1)C" . "CN(CCN1CC(c2c1cc(Cl)cc2)C(=O)N1CCC2(CC1)OCc1c2cccc1)C" . "DRMVDBATNZBNEB-UHFFFAOYSA-N" . "InChI=1S/C25H30ClN3O2/c1-27(2)13-14-29-16-21(20-8-7-19(26)15-23(20)29)24(30)28-11-9-25(10-12-28)22-6-4-3-5-18(22)17-31-25/h3-8,15,21H,9-14,16-17H2,1-2H3" . "COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O" . "COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O" . "WUADCCWRTIWANL-UHFFFAOYSA-N" . "InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3" . "Fc1cc(cc(c1)F)NC(c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C)C" . "Fc1cc(cc(c1)F)N[C@@H](c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C)C" . "LMJFJIDLEAWOQJ-CQSZACIVSA-N" . "InChI=1S/C24H25F2N3O4/c1-14(27-18-11-16(25)10-17(26)12-18)19-8-15(24(31)28(2)3)9-20-21(30)13-22(33-23(19)20)29-4-6-32-7-5-29/h8-14,27H,4-7H2,1-3H3/t14-/m1/s1" . "OC(=O)CC1N(CCNc2c1ccc(n2)C(F)(F)F)C(=O)Cc1cccc(c1)Oc1ccc(nc1)C" . "OC(=O)C[C@H]1N(CCNc2c1ccc(n2)C(F)(F)F)C(=O)Cc1cccc(c1)Oc1ccc(nc1)C" . "PPSMYAUEJRADFE-HXUWFJFHSA-N" . "InChI=1S/C25H23F3N4O4/c1-15-5-6-18(14-30-15)36-17-4-2-3-16(11-17)12-22(33)32-10-9-29-24-19(20(32)13-23(34)35)7-8-21(31-24)25(26,27)28/h2-8,11,14,20H,9-10,12-13H2,1H3,(H,29,31)(H,34,35)/t20-/m1/s1" . "CC(CCOc1cccc(c1)CC(=O)N1CCNc2c(C1CC(=O)O)ccc(n2)C(F)(F)F)C" . "CC(CCOc1cccc(c1)CC(=O)N1CCNc2c([C@H]1CC(=O)O)ccc(n2)C(F)(F)F)C" . "DFAPMGLBHDJMNX-LJQANCHMSA-N" . "InChI=1S/C24H28F3N3O4/c1-15(2)8-11-34-17-5-3-4-16(12-17)13-21(31)30-10-9-28-23-18(19(30)14-22(32)33)6-7-20(29-23)24(25,26)27/h3-7,12,15,19H,8-11,13-14H2,1-2H3,(H,28,29)(H,32,33)/t19-/m1/s1" . "CSCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)O)Cc1ccccc1)C(C)C)CCCN=C(N)N)CO)Cc1c[nH]cn1)CC(C)C)NC(=O)C(CS)N " . "CSCC[C@H](NC(=O)[C@@H](N)CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C" . "XXKPNJFJXZBRMX-HDKAIKTRSA-N" . "InChI=1S/C58H90N16O13S2/c1-32(2)25-39(68-52(81)43-16-10-21-72(43)54(83)38(19-24-89-5)66-47(76)36(59)30-88)49(78)67-40(27-35-28-62-31-64-35)50(79)70-42(29-75)51(80)65-37(15-9-20-63-58(60)61)48(77)71-46(33(3)4)56(85)73-22-11-17-44(73)53(82)69-41(26-34-13-7-6-8-14-34)55(84)74-23-12-18-45(74)57(86)87/h6-8,13-14,28,31-33,36-46,75,88H,9-12,15-27,29-30,59H2,1-5H3,(H,62,64)(H,65,80)(H,66,76)(H,67,78)(H,68,81)(H,69,82)(H,70,79)(H,71,77)(H,86,87)(H4,60,61,63)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)O)Cc1ccccc1)C(C)C)CCCN=C(N)N)CO)Cc1nc[nH]c1)CC(C)C)CCSC)CS)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)CC(C)C)CS)CC(=O)N)Cc1nc[nH]c1)NC(=O)C(NC(=O)C(CC(C)C)N)CCCN=C(N)N " . "CSCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C" . "TXSAAXFWNUKYQL-FMGZCOAKSA-N" . "InChI=1S/C112H186N40O25S3/c1-58(2)44-65(114)88(156)133-67(25-15-36-127-109(117)118)89(157)134-66(24-13-14-35-113)91(159)141-75(48-63-51-125-56-131-63)97(165)143-77(50-86(116)155)99(167)148-81(55-179)102(170)140-73(45-59(3)4)95(163)138-71(32-33-85(115)154)93(161)136-68(26-16-37-128-110(119)120)90(158)135-69(27-17-38-129-111(121)122)92(160)147-80(54-178)101(169)139-72(34-43-180-9)105(173)150-40-19-29-82(150)103(171)144-74(46-60(5)6)96(164)142-76(49-64-52-126-57-132-64)98(166)146-79(53-153)100(168)137-70(28-18-39-130-112(123)124)94(162)149-87(61(7)8)107(175)151-41-20-30-83(151)104(172)145-78(47-62-22-11-10-12-23-62)106(174)152-42-21-31-84(152)108(176)177/h10-12,22-23,51-52,56-61,65-84,87,153,178-179H,13-21,24-50,53-55,113-114H2,1-9H3,(H2,115,154)(H2,116,155)(H,125,131)(H,126,132)(H,133,156)(H,134,157)(H,135,158)(H,136,161)(H,137,168)(H,138,163)(H,139,169)(H,140,170)(H,141,159)(H,142,164)(H,143,165)(H,144,171)(H,145,172)(H,146,166)(H,147,160)(H,148,167)(H,149,162)(H,176,177)(H4,117,118,127)(H4,119,120,128)(H4,121,122,129)(H4,123,124,130)/t65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,87-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)O)Cc1ccccc1)C(C)C)CCCN=C(N)N)CO)Cc1nc[nH]c1)CC(C)C)CCSC)CS)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)CC(C)C)CS)CC(=O)N)Cc1nc[nH]c1)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C1CCCN1C(=O)C(NC(=O)C(CCC(=O)N)N)CCCN=C(N)N)CC(=O)N)CC(C)C)CCSC)CCCN=C(N)N)CCCN=C(N)N)CCCCN)CC(C)C)CCCN=C(N)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1ccccc1)C(C)C)CCCN=C(N)N)CO)Cc1nc[nH]c1)CC(C)C)CCSC)CS)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)CC(C)C)CS)CC(=O)N)Cc1nc[nH]c1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)N)CCCN=C(N)N)CC(=O)N)CC(C)C)CCSC)CCCN=C(N)N)CCCN=C(N)N)CCCCN)CC(C)C)CCCN=C(N)N" . "AXGBCVTUKUUUPN-PXWSXZDTSA-N" . "InChI=1S/C170H291N63O39S4/c1-86(2)70-109(215-137(245)97(36-19-21-55-171)203-133(241)99(38-23-57-194-164(178)179)205-135(243)101(40-25-59-196-166(182)183)208-141(249)106(53-68-275-14)212-158(266)131(92(13)235)229-150(258)112(73-89(7)8)216-148(256)116(78-128(177)239)222-157(265)129(90(9)10)227-156(264)123-47-31-65-231(123)159(267)107(44-29-63-200-170(190)191)213-132(240)96(173)49-51-125(174)236)143(251)209-102(41-26-60-197-167(184)185)136(244)204-98(37-20-22-56-172)138(246)218-113(75-94-79-192-84-201-94)146(254)220-115(77-127(176)238)149(257)226-120(83-274)153(261)217-110(71-87(3)4)144(252)211-105(50-52-126(175)237)140(248)207-100(39-24-58-195-165(180)181)134(242)206-103(42-27-61-198-168(186)187)139(247)225-119(82-273)152(260)214-108(54-69-276-15)160(268)230-64-30-45-121(230)154(262)221-111(72-88(5)6)145(253)219-114(76-95-80-193-85-202-95)147(255)224-118(81-234)151(259)210-104(43-28-62-199-169(188)189)142(250)228-130(91(11)12)162(270)232-66-32-46-122(232)155(263)223-117(74-93-34-17-16-18-35-93)161(269)233-67-33-48-124(233)163(271)272/h16-18,34-35,79-80,84-92,96-124,129-131,234-235,273-274H,19-33,36-78,81-83,171-173H2,1-15H3,(H2,174,236)(H2,175,237)(H2,176,238)(H2,177,239)(H,192,201)(H,193,202)(H,203,241)(H,204,244)(H,205,243)(H,206,242)(H,207,248)(H,208,249)(H,209,251)(H,210,259)(H,211,252)(H,212,266)(H,213,240)(H,214,260)(H,215,245)(H,216,256)(H,217,261)(H,218,246)(H,219,253)(H,220,254)(H,221,262)(H,222,265)(H,223,263)(H,224,255)(H,225,247)(H,226,257)(H,227,264)(H,228,250)(H,229,258)(H,271,272)(H4,178,179,194)(H4,180,181,195)(H4,182,183,196)(H4,184,185,197)(H4,186,187,198)(H4,188,189,199)(H4,190,191,200)/t92-,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,129+,130+,131+/m1/s1" . "NCCCCC(C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccccc1)CCSC)NC(=O)C(Cc1c[nH]cn1)NC(=O)C1CSSCC(N)C(=O)NC(CCCNC(=N)N)C(=O)N2C(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)CCCNC(=N)N)CCC2" . "NCCCC[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)Cc1ccccc1)CCSC)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CCCNC(=N)N)CCC2" . "RKFGCZWTURNFPN-SVENNQHVSA-N" . "InChI=1S/C67H106N22O14S3/c1-38(2)30-46-57(94)86-49(36-106-105-35-41(69)54(91)81-44(18-10-25-76-67(72)73)63(100)88-27-12-20-51(88)61(98)80-43(56(93)83-46)17-9-24-75-66(70)71)59(96)84-47(32-40-33-74-37-78-40)58(95)79-42(16-7-8-23-68)55(92)77-34-53(90)87-26-11-19-50(87)60(97)82-45(22-29-104-3)64(101)89-28-13-21-52(89)62(99)85-48(65(102)103)31-39-14-5-4-6-15-39/h4-6,14-15,33,37-38,41-52H,7-13,16-32,34-36,68-69H2,1-3H3,(H,74,78)(H,77,92)(H,79,95)(H,80,98)(H,81,91)(H,82,97)(H,83,93)(H,84,96)(H,85,99)(H,86,94)(H,102,103)(H4,70,71,75)(H4,72,73,76)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1" . "CNC(=O)c1ccc(c(n1)N)c1cc(Cl)cc(c1Cl)Cl" . "CNC(=O)c1ccc(c(n1)N)c1cc(Cl)cc(c1Cl)Cl" . "HPIUHDCRVYDAEJ-UHFFFAOYSA-N" . "InChI=1S/C13H10Cl3N3O/c1-18-13(20)10-3-2-7(12(17)19-10)8-4-6(14)5-9(15)11(8)16/h2-5H,1H3,(H2,17,19)(H,18,20)" . "Clc1cccc(c1)c1ccc(cc1)C(=O)N1C2CCC1CN(C2)c1ncccn1" . "Clc1cccc(c1)c1ccc(cc1)C(=O)N1C2CCC1CN(C2)c1ncccn1" . "FNHAFYQTHUKPIU-UHFFFAOYSA-N" . "InChI=1S/C23H21ClN4O/c24-19-4-1-3-18(13-19)16-5-7-17(8-6-16)22(29)28-20-9-10-21(28)15-27(14-20)23-25-11-2-12-26-23/h1-8,11-13,20-21H,9-10,14-15H2" . "COc1ccc(cc1)Cn1c(NCCNC(=N)N)nc(=O)n(c1=O)Cc1ccc(cc1)Br" . "COc1ccc(cc1)Cn1c(NCCNC(=N)N)nc(=O)n(c1=O)Cc1ccc(cc1)Br" . "IRCKZEUJNJUYCC-UHFFFAOYSA-N" . "InChI=1S/C21H24BrN7O3/c1-32-17-8-4-15(5-9-17)12-28-19(26-11-10-25-18(23)24)27-20(30)29(21(28)31)13-14-2-6-16(22)7-3-14/h2-9H,10-13H2,1H3,(H4,23,24,25)(H,26,27,30)" . "COc1ccc(cc1)C=C(C(=O)NCc1cccnc1)NC(=O)c1ccccc1" . "COc1ccc(cc1)/C=C(/C(=O)NCc1cccnc1)/NC(=O)c1ccccc1" . "KKDANILRTKQMGA-STZFKDTASA-N" . "InChI=1S/C23H21N3O3/c1-29-20-11-9-17(10-12-20)14-21(26-22(27)19-7-3-2-4-8-19)23(28)25-16-18-6-5-13-24-15-18/h2-15H,16H2,1H3,(H,25,28)(H,26,27)/b21-14-" . "O=C(C(=Cc1ccco1)NC(=O)c1ccccc1)NCc1cccnc1" . "O=C(/C(=C/c1ccco1)/NC(=O)c1ccccc1)NCc1cccnc1" . "ANTQNDKESCDJPE-PDGQHHTCSA-N" . "InChI=1S/C20H17N3O3/c24-19(16-7-2-1-3-8-16)23-18(12-17-9-5-11-26-17)20(25)22-14-15-6-4-10-21-13-15/h1-13H,14H2,(H,22,25)(H,23,24)/b18-12-" . "CN1CCN(CC1)C(=O)c1[nH]c2c(c1c1ccccc1)cc(cc2)[N+](=O)[O-]" . "CN1CCN(CC1)C(=O)c1[nH]c2c(c1c1ccccc1)cc(cc2)[N+](=O)[O-]" . "BLSWPPPBUQFKHH-UHFFFAOYSA-N" . "InChI=1S/C20H20N4O3/c1-22-9-11-23(12-10-22)20(25)19-18(14-5-3-2-4-6-14)16-13-15(24(26)27)7-8-17(16)21-19/h2-8,13,21H,9-12H2,1H3" . "CCCCCCCCCCCCCC(=O)NCCO" . "CCCCCCCCCCCCCC(=O)NCCO" . "JHIXEZNTXMFXEK-UHFFFAOYSA-N" . "InChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)17-14-15-18/h18H,2-15H2,1H3,(H,17,19)" . "CC(CC(=O)Oc1cccc(c1)CC(=O)N1CCNc2c(C1CC(=O)O)ccc(n2)C(F)(F)F)C" . "CC(CC(=O)Oc1cccc(c1)CC(=O)N1CCNc2c([C@H]1CC(=O)O)ccc(n2)C(F)(F)F)C" . "CJLZUKCACMUYFP-GOSISDBHSA-N" . "InChI=1S/C24H26F3N3O5/c1-14(2)10-22(34)35-16-5-3-4-15(11-16)12-20(31)30-9-8-28-23-17(18(30)13-21(32)33)6-7-19(29-23)24(25,26)27/h3-7,11,14,18H,8-10,12-13H2,1-2H3,(H,28,29)(H,32,33)/t18-/m1/s1" . "OC(=O)c1ccccc1c1ccc(cc1)CCc1ncc([nH]1)CC1CCCC1" . "OC(=O)c1ccccc1c1ccc(cc1)CCc1ncc([nH]1)CC1CCCC1" . "OENIXTHWZWFYIV-UHFFFAOYSA-N" . "InChI=1S/C24H26N2O2/c27-24(28)22-8-4-3-7-21(22)19-12-9-17(10-13-19)11-14-23-25-16-20(26-23)15-18-5-1-2-6-18/h3-4,7-10,12-13,16,18H,1-2,5-6,11,14-15H2,(H,25,26)(H,27,28)" . "COc1ccc(cc1)C1(CCCCC1)CNC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)Nc1ccc(cc1)[N+](=O)[O-]" . "COc1ccc(cc1)C1(CCCCC1)CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)Nc1ccc(cc1)[N+](=O)[O-]" . "JOKVJNCYOSFDGC-LJAQVGFWSA-N" . "InChI=1S/C32H35N5O5/c1-42-26-15-9-23(10-16-26)32(17-5-2-6-18-32)21-34-30(38)29(19-22-20-33-28-8-4-3-7-27(22)28)36-31(39)35-24-11-13-25(14-12-24)37(40)41/h3-4,7-16,20,29,33H,2,5-6,17-19,21H2,1H3,(H,34,38)(H2,35,36,39)/t29-/m0/s1" . "CCC(Cc1c[nH]c(n1)CCc1ccc(cc1)c1ccccc1C(=O)O)(C)C" . "CCC(Cc1c[nH]c(n1)CCc1ccc(cc1)c1ccccc1C(=O)O)(C)C" . "AXHVEQQLKVIZLO-UHFFFAOYSA-N" . "InChI=1S/C24H28N2O2/c1-4-24(2,3)15-19-16-25-22(26-19)14-11-17-9-12-18(13-10-17)20-7-5-6-8-21(20)23(27)28/h5-10,12-13,16H,4,11,14-15H2,1-3H3,(H,25,26)(H,27,28)" . "Cc1c(C)ccc2c1N(Cc1c(N2)nc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(C)(C)C" . "Cc1c(C)ccc2c1N(Cc1c(N2)nc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(C)(C)C" . "OAIVSBLLDFJYMS-UHFFFAOYSA-N" . "InChI=1S/C25H26F3N3O2S/c1-15-6-12-20-22(16(15)2)31(14-17-7-13-21(25(26,27)28)30-23(17)29-20)34(32,33)19-10-8-18(9-11-19)24(3,4)5/h6-13H,14H2,1-5H3,(H,29,30)" . "OC(=O)C(C(c1ccc(c(c1)O)O)O)N" . "OC(=O)[C@H]([C@@H](c1ccc(c(c1)O)O)O)N" . "QXWYKJLNLSIPIN-JGVFFNPUSA-N" . "InChI=1S/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8+/m0/s1" . "FC(Oc1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2c1c(ccc2)c1noc(n1)C(O)(C)C)C(F)(F)F)(F)F" . "FC(Oc1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2c1c(ccc2)c1noc(n1)C(O)(C)C)C(F)(F)F)(F)F" . "WQQNCCUPGPFWOI-UHFFFAOYSA-N" . "InChI=1S/C25H19F6N5O5S/c1-23(2,37)22-34-21(35-41-22)16-4-3-5-17-19(16)36(12-13-6-11-18(24(26,27)28)33-20(13)32-17)42(38,39)15-9-7-14(8-10-15)40-25(29,30)31/h3-11,37H,12H2,1-2H3,(H,32,33)" . "Fc1ccc(cc1)NC(=O)c1ccc(nc1)SCc1ccccc1B(O)O" . "Fc1ccc(cc1)NC(=O)c1ccc(nc1)SCc1ccccc1B(O)O" . "VZRIHFZJVIOJBE-UHFFFAOYSA-N" . "InChI=1S/C19H16BFN2O3S/c21-15-6-8-16(9-7-15)23-19(24)13-5-10-18(22-11-13)27-12-14-3-1-2-4-17(14)20(25)26/h1-11,25-26H,12H2,(H,23,24)" . "O=C(Nc1cccc(c1C)F)Nc1ccc(c(c1O)S(=O)(=O)C1CCCNC1)Cl" . "O=C(Nc1cccc(c1C)F)Nc1ccc(c(c1O)S(=O)(=O)[C@H]1CCCNC1)Cl" . "NGYNBSHYFOFVLS-LBPRGKRZSA-N" . "InChI=1S/C19H21ClFN3O4S/c1-11-14(21)5-2-6-15(11)23-19(26)24-16-8-7-13(20)18(17(16)25)29(27,28)12-4-3-9-22-10-12/h2,5-8,12,22,25H,3-4,9-10H2,1H3,(H2,23,24,26)/t12-/m0/s1" . "O=C(Nc1cccc(c1Cl)F)Nc1ccc(c(c1O)S(=O)(=O)N1CCNCC1)Cl" . "O=C(Nc1cccc(c1Cl)F)Nc1ccc(c(c1O)S(=O)(=O)N1CCNCC1)Cl" . "YQYFEGTYCUQBEI-UHFFFAOYSA-N" . "InChI=1S/C17H17Cl2FN4O4S/c18-10-4-5-13(23-17(26)22-12-3-1-2-11(20)14(12)19)15(25)16(10)29(27,28)24-8-6-21-7-9-24/h1-5,21,25H,6-9H2,(H2,22,23,26)" . "CC(Cc1ccc(cc1)C(C(=O)NS(=O)(=O)C)C)C" . "CC(Cc1ccc(cc1)[C@H](C(=O)NS(=O)(=O)C)C)C" . "KQDRVXQXKZXMHP-LLVKDONJSA-N" . "InChI=1S/C14H21NO3S/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15-19(4,17)18/h5-8,10-11H,9H2,1-4H3,(H,15,16)/t11-/m1/s1" . "CCC(c1ccc(o1)C)NC1=C(C(=O)C1=O)Nc1cccc(c1O)C(=O)N(C)C" . "CC[C@H](c1ccc(o1)C)NC1=C(C(=O)C1=O)Nc1cccc(c1O)C(=O)N(C)C" . "RXIUEIPPLAFSDF-CYBMUJFWSA-N" . "InChI=1S/C21H23N3O5/c1-5-13(15-10-9-11(2)29-15)22-16-17(20(27)19(16)26)23-14-8-6-7-12(18(14)25)21(28)24(3)4/h6-10,13,22-23,25H,5H2,1-4H3/t13-/m1/s1" . "Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O" . "Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O" . "RJMUSRYZPJIFPJ-UHFFFAOYSA-N" . "InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)" . "OC(=O)CC(C1=CC(=c2[nH]c3c([nH]2)ccc(c3)C(=N)N)C(=O)C(=C1)c1cccc(c1)C(=O)N)C(=O)O" . "OC(=O)CC(C1=C/C(=c/2/[nH]c3c([nH]2)ccc(c3)C(=N)N)/C(=O)C(=C1)c1cccc(c1)C(=O)N)C(=O)O" . "WFPGMUDIBWJJND-JJIBRWJFSA-N" . "InChI=1S/C25H21N5O6/c26-22(27)12-4-5-18-19(9-12)30-24(29-18)17-8-14(16(25(35)36)10-20(31)32)7-15(21(17)33)11-2-1-3-13(6-11)23(28)34/h1-9,16,29-30H,10H2,(H3,26,27)(H2,28,34)(H,31,32)(H,35,36)/b24-17+" . "Nc1nc2c(o1)c1ccccc1c(c2)C" . "Nc1nc2c(o1)c1ccccc1c(c2)C" . "JEGUERWMMMQFJV-UHFFFAOYSA-N" . "InChI=1S/C12H10N2O/c1-7-6-10-11(15-12(13)14-10)9-5-3-2-4-8(7)9/h2-6H,1H3,(H2,13,14)" . "N#Cc1c(=O)[nH]c(c2c1CCC2)CC(C)C" . "N#Cc1c(=O)[nH]c(c2c1CCC2)CC(C)C" . "QOUMCRXJXXVERM-UHFFFAOYSA-N" . "InChI=1S/C13H16N2O/c1-8(2)6-12-10-5-3-4-9(10)11(7-14)13(16)15-12/h8H,3-6H2,1-2H3,(H,15,16)" . "Nc1ccnc(=O)[nH]1" . "Nc1ccnc(=O)[nH]1" . "OPTASPLRGRRNAP-UHFFFAOYSA-N" . "InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)" . "NOCC(=O)O" . "NOCC(=O)O" . "NQRKYASMKDDGHT-UHFFFAOYSA-N" . "InChI=1S/C2H5NO3/c3-6-1-2(4)5/h1,3H2,(H,4,5)" . "CCN1CCCC1C(=O)NC(C(=O)NCc1ccc(nc1)N)Cc1ccc(c(c1)F)F" . "CCN1CCC[C@@H]1C(=O)N[C@H](C(=O)NCc1ccc(nc1)N)Cc1ccc(c(c1)F)F" . "ALLYUHIQZKTLFG-RBUKOAKNSA-N" . "InChI=1S/C22H27F2N5O2/c1-2-29-9-3-4-19(29)22(31)28-18(11-14-5-7-16(23)17(24)10-14)21(30)27-13-15-6-8-20(25)26-12-15/h5-8,10,12,18-19H,2-4,9,11,13H2,1H3,(H2,25,26)(H,27,30)(H,28,31)/t18-,19+/m0/s1" . "Cc1ccc(cc1)C(=O)n1nc(nc1N)c1cccnc1" . "Cc1ccc(cc1)C(=O)n1nc(nc1N)c1cccnc1" . "BIEYFOHSWAIQDF-UHFFFAOYSA-N" . "InChI=1S/C15H13N5O/c1-10-4-6-11(7-5-10)14(21)20-15(16)18-13(19-20)12-3-2-8-17-9-12/h2-9H,1H3,(H2,16,18,19)" . "NCCCCC1NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CCCNC(=O)CCCN(C(=O)C(NC(=O)C(NC1=O)C(O)C)Cc1ccccc1)CC(=O)N)Cc1ccccc1)Cc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2" . "NCCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCNC(=O)CCCN(C(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@H](O)C)Cc1ccccc1)CC(=O)N)Cc1ccccc1)Cc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2" . "ABFNTRQPWNXUHA-VEVJRHMJSA-N" . "InChI=1S/C60H74N12O10/c1-37(73)54-59(81)70-50(31-39-18-6-3-7-19-39)60(82)72(36-51(62)74)29-15-26-52(75)63-28-14-25-53(76)66-47(30-38-16-4-2-5-17-38)56(78)68-49(33-41-35-65-45-23-11-9-21-43(41)45)58(80)69-48(32-40-34-64-44-22-10-8-20-42(40)44)57(79)67-46(55(77)71-54)24-12-13-27-61/h2-11,16-23,34-35,37,46-50,54,64-65,73H,12-15,24-33,36,61H2,1H3,(H2,62,74)(H,63,75)(H,66,76)(H,67,79)(H,68,78)(H,69,80)(H,70,81)(H,71,77)/t37-,46+,47+,48-,49+,50+,54+/m1/s1" . "CCN1CCN(CC1)C(=O)Cc1ccc(cc1)Nc1ncc(c(n1)Nc1ccc(cc1)C(=O)Nc1ccccc1Cl)F" . "CCN1CCN(CC1)C(=O)Cc1ccc(cc1)Nc1ncc(c(n1)Nc1ccc(cc1)C(=O)Nc1ccccc1Cl)F" . "AKSIZPIFQAYJGF-UHFFFAOYSA-N" . "InChI=1S/C31H31ClFN7O2/c1-2-39-15-17-40(18-16-39)28(41)19-21-7-11-24(12-8-21)36-31-34-20-26(33)29(38-31)35-23-13-9-22(10-14-23)30(42)37-27-6-4-3-5-25(27)32/h3-14,20H,2,15-19H2,1H3,(H,37,42)(H2,34,35,36,38)" . "CCCCC(C(=O)NC(B(O)O)CCCBr)NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CCCCCN)CO)CCC(=O)N" . "CCCC[C@@H](C(=O)N[C@@H](B(O)O)CCCBr)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN)CO)CCC(=O)N" . "AKGOAAVLALZKCN-JSLVBRCRSA-N" . "InChI=1S/C33H55BBrN7O9/c1-2-3-13-23(31(47)42-27(34(50)51)14-10-18-35)39-30(46)24(16-17-28(37)44)40-33(49)26(21-43)41-32(48)25(20-22-11-6-4-7-12-22)38-29(45)15-8-5-9-19-36/h4,6-7,11-12,23-27,43,50-51H,2-3,5,8-10,13-21,36H2,1H3,(H2,37,44)(H,38,45)(H,39,46)(H,40,49)(H,41,48)(H,42,47)/t23-,24-,25-,26-,27+/m0/s1" . "OCC1OC(C(C1O)O)n1c(NCc2ccc(cc2)c2ccccc2)nc2c1ncnc2N" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(NCc2ccc(cc2)c2ccccc2)nc2c1ncnc2N" . "YJLIKUSWRSEPSM-WGQQHEPDSA-N" . "InChI=1S/C23H24N6O4/c24-20-17-21(27-12-26-20)29(22-19(32)18(31)16(11-30)33-22)23(28-17)25-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,12,16,18-19,22,30-32H,10-11H2,(H,25,28)(H2,24,26,27)/t16-,18-,19-,22-/m1/s1" . "BrCc1ccc2c(c1)cc(c(=O)o2)C(=O)Oc1cccc(c1)Cl" . "BrCc1ccc2c(c1)cc(c(=O)o2)C(=O)Oc1cccc(c1)Cl" . "RNWNTBMGGUARMR-UHFFFAOYSA-N" . "InChI=1S/C17H10BrClO4/c18-9-10-4-5-15-11(6-10)7-14(17(21)23-15)16(20)22-13-3-1-2-12(19)8-13/h1-8H,9H2" . "CC[n+]1c(ccc2c1cccc2)C=c1ccc2c(n1CC)cccc2" . "CC[n+]1c(ccc2c1cccc2)C=c1ccc2c(n1CC)cccc2" . "AGJZCWVTGOVGBS-UHFFFAOYSA-N" . "InChI=1S/C23H23N2/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2/h5-17H,3-4H2,1-2H3/q+1" . "COc1cc(cc(c1OC)OC)c1cc(cnc1C)c1ccc(cc1)N1CCNCC1" . "COc1cc(cc(c1OC)OC)c1cc(cnc1C)c1ccc(cc1)N1CCNCC1" . "BHUXVRVMMYAXKN-UHFFFAOYSA-N" . "InChI=1S/C25H29N3O3/c1-17-22(19-14-23(29-2)25(31-4)24(15-19)30-3)13-20(16-27-17)18-5-7-21(8-6-18)28-11-9-26-10-12-28/h5-8,13-16,26H,9-12H2,1-4H3" . "OC(=O)CCCc1ccccc1" . "OC(=O)CCCc1ccccc1" . "OBKXEAXTFZPCHS-UHFFFAOYSA-N" . "InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)" . "CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)c1cnc(c(n1)C(=O)Nc1cccnc1)N" . "CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)c1cnc(c(n1)C(=O)Nc1cccnc1)N" . "FHCSBLWRGCOVPT-UHFFFAOYSA-N" . "InChI=1S/C21H23N7O3S/c1-27-9-11-28(12-10-27)32(30,31)17-6-4-15(5-7-17)18-14-24-20(22)19(26-18)21(29)25-16-3-2-8-23-13-16/h2-8,13-14H,9-12H2,1H3,(H2,22,24)(H,25,29)" . "CC1COCCN1c1cc(nc(n1)c1cccc2c1cc[nH]2)C1(CC1)S(=O)(=O)C" . "C[C@@H]1COCCN1c1cc(nc(n1)c1cccc2c1cc[nH]2)C1(CC1)S(=O)(=O)C" . "SCGCBAAYLFTIJU-CQSZACIVSA-N" . "InChI=1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m1/s1" . "N#Cc1cc(F)c(nc1NC(c1ccc(cc1)F)C)Nc1n[nH]c(c1)C" . "N#Cc1cc(F)c(nc1N[C@H](c1ccc(cc1)F)C)Nc1n[nH]c(c1)C" . "SUNXHXDJOIXABJ-NSHDSACASA-N" . "InChI=1S/C18H16F2N6/c1-10-7-16(26-25-10)23-18-15(20)8-13(9-21)17(24-18)22-11(2)12-3-5-14(19)6-4-12/h3-8,11H,1-2H3,(H3,22,23,24,25,26)/t11-/m0/s1" . "N#CC(c1cccc(c1)C(=O)Nc1ccc(c(c1)Nc1ccc2c(c1)c(=O)n(cn2)C)C)(C)C" . "N#CC(c1cccc(c1)C(=O)Nc1ccc(c(c1)Nc1ccc2c(c1)c(=O)n(cn2)C)C)(C)C" . "ZGBGPEDJXCYQPH-UHFFFAOYSA-N" . "InChI=1S/C27H25N5O2/c1-17-8-9-21(31-25(33)18-6-5-7-19(12-18)27(2,3)15-28)14-24(17)30-20-10-11-23-22(13-20)26(34)32(4)16-29-23/h5-14,16,30H,1-4H3,(H,31,33)" . "OCCONC(=O)c1cc(C)c(=O)n(c1Nc1ccc(cc1F)I)C" . "OCCONC(=O)c1cc(C)c(=O)n(c1Nc1ccc(cc1F)I)C" . "RWEVIPRMPFNTLO-UHFFFAOYSA-N" . "InChI=1S/C16H17FIN3O4/c1-9-7-11(15(23)20-25-6-5-22)14(21(2)16(9)24)19-13-4-3-10(18)8-12(13)17/h3-4,7-8,19,22H,5-6H2,1-2H3,(H,20,23)" . "NNC(=N)N" . "NNC(=N)N" . "HAMNKKUPIHEESI-UHFFFAOYSA-N" . "InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)" . "COC1CCN(CC1)C(=O)c1cc(ccc1F)Cc1n[nH]c(=O)c2c1cccc2" . "COC1CCN(CC1)C(=O)c1cc(ccc1F)Cc1n[nH]c(=O)c2c1cccc2" . "HYNBNUYQTQIHJK-UHFFFAOYSA-N" . "InChI=1S/C22H22FN3O3/c1-29-15-8-10-26(11-9-15)22(28)18-12-14(6-7-19(18)23)13-20-16-4-2-3-5-17(16)21(27)25-24-20/h2-7,12,15H,8-11,13H2,1H3,(H,25,27)" . "CCCCCn1c(=O)[nH]c(=O)c2c1nc([nH]2)Cl" . "CCCCCn1c(=O)[nH]c(=O)c2c1nc([nH]2)Cl" . "CGAMDQCXAAOFSR-UHFFFAOYSA-N" . "InChI=1S/C10H13ClN4O2/c1-2-3-4-5-15-7-6(12-9(11)13-7)8(16)14-10(15)17/h2-5H2,1H3,(H,12,13)(H,14,16,17)" . "O=c1cc(CCCC2(C)CC2)c2c(o1)[nH]c(=O)[nH]c2=O" . "O=c1cc(CCCC2(C)CC2)c2c(o1)[nH]c(=O)[nH]c2=O" . "ARJKMWXLIHZLQZ-UHFFFAOYSA-N" . "InChI=1S/C14H16N2O4/c1-14(5-6-14)4-2-3-8-7-9(17)20-12-10(8)11(18)15-13(19)16-12/h7H,2-6H2,1H3,(H2,15,16,18,19)" . "O=C(NC(c1ccccc1)C)CCc1nc(=O)c2c([nH]1)cccc2" . "O=C(N[C@H](c1ccccc1)C)CCc1nc(=O)c2c([nH]1)cccc2" . "QIHBWVVVRYYYRO-ZDUSSCGKSA-N" . "InChI=1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)20-18(23)12-11-17-21-16-10-6-5-9-15(16)19(24)22-17/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22,24)/t13-/m0/s1" . "CC1CCC(CC1)C(=O)Nc1nc(c(s1)CC(=O)N1CCN(CC1)C)c1cccs1" . "C[C@@H]1CC[C@H](CC1)C(=O)Nc1nc(c(s1)CC(=O)N1CCN(CC1)C)c1cccs1" . "ZLQAEANISSHOLB-WKILWMFISA-N" . "InChI=1S/C22H30N4O2S2/c1-15-5-7-16(8-6-15)21(28)24-22-23-20(17-4-3-13-29-17)18(30-22)14-19(27)26-11-9-25(2)10-12-26/h3-4,13,15-16H,5-12,14H2,1-2H3,(H,23,24,28)/t15-,16-" . "N#Cc1ccc(nc1)N1CCN(CC1C)c1nnc(c2c1cc(Cl)cc2)Cc1ccccc1" . "N#Cc1ccc(nc1)N1CCN(C[C@H]1C)c1nnc(c2c1cc(Cl)cc2)Cc1ccccc1" . "XUZUIICAPXZZDU-GOSISDBHSA-N" . "InChI=1S/C26H23ClN6/c1-18-17-32(11-12-33(18)25-10-7-20(15-28)16-29-25)26-23-14-21(27)8-9-22(23)24(30-31-26)13-19-5-3-2-4-6-19/h2-10,14,16,18H,11-13,17H2,1H3/t18-/m1/s1" . "ONC(=O)CCCOc1ccc(cc1C)Cl" . "ONC(=O)CCCOc1ccc(cc1C)Cl" . "JHSXDAWGLCZYSM-UHFFFAOYSA-N" . "InChI=1S/C11H14ClNO3/c1-8-7-9(12)4-5-10(8)16-6-2-3-11(14)13-15/h4-5,7,15H,2-3,6H2,1H3,(H,13,14)" . "CCOC(=O)NC(=N)c1ccc(cc1)OCc1cccc(c1)COc1ccc(cc1)C(c1ccc(cc1)O)(C)C" . "CCOC(=O)NC(=N)c1ccc(cc1)OCc1cccc(c1)COc1ccc(cc1)C(c1ccc(cc1)O)(C)C" . "SBVYURPQULDJTI-UHFFFAOYSA-N" . "InChI=1S/C33H34N2O5/c1-4-38-32(37)35-31(34)25-8-16-29(17-9-25)39-21-23-6-5-7-24(20-23)22-40-30-18-12-27(13-19-30)33(2,3)26-10-14-28(36)15-11-26/h5-20,36H,4,21-22H2,1-3H3,(H2,34,35,37)" . "OC(CC(=N)N1CCCCC1)COc1ccccc1c1ccccc1.Cl" . "OC(CC(=N)N1CCCCC1)COc1ccccc1c1ccccc1.Cl" . "WWHGFIXWBLHHQB-UHFFFAOYSA-N" . "InChI=1S/C21H26N2O2.ClH/c22-21(23-13-7-2-8-14-23)15-18(24)16-25-20-12-6-5-11-19(20)17-9-3-1-4-10-17;/h1,3-6,9-12,18,22,24H,2,7-8,13-16H2;1H" . "COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C" . "COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C" . "ZZMFJJDBKSYGRM-UHFFFAOYSA-N" . "InChI=1S/C26H33N5O5/c1-16(2)17-7-6-8-20(33-3)24(17)36-15-23(32)30-9-11-31(12-10-30)26-28-19-14-22(35-5)21(34-4)13-18(19)25(27)29-26/h6-8,13-14,16H,9-12,15H2,1-5H3,(H2,27,28,29)" . "O=c1n([nH]cc1n1ccnn1)c1ncnc(c1)N1CCOCC1" . "O=c1n([nH]cc1n1ccnn1)c1ncnc(c1)N1CCOCC1" . "IJMBOKOTALXLKS-UHFFFAOYSA-N" . "InChI=1S/C13H14N8O2/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19/h1-2,7-9,17H,3-6H2" . "Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O" . "Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O" . "ZQSIJRDFPHDXIC-UHFFFAOYSA-N" . "InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H" . "OC(=O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C1=O)C1CCCCC1" . "OC(=O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C1=O)C1CCCCC1" . "RUEYEZADQJCKGV-UHFFFAOYSA-N" . "InChI=1S/C19H27N3O6/c23-14(24)11-20-16(25)15-17(26)21(12-7-3-1-4-8-12)19(28)22(18(15)27)13-9-5-2-6-10-13/h12-13,15H,1-11H2,(H,20,25)(H,23,24)" . "OC(=O)CNC(=O)c1nc(C)c2c(c1O)ccc(c2)Oc1ccccc1" . "OC(=O)CNC(=O)c1nc(C)c2c(c1O)ccc(c2)Oc1ccccc1" . "YOZBGTLTNGAVFU-UHFFFAOYSA-N" . "InChI=1S/C19H16N2O5/c1-11-15-9-13(26-12-5-3-2-4-6-12)7-8-14(15)18(24)17(21-11)19(25)20-10-16(22)23/h2-9,24H,10H2,1H3,(H,20,25)(H,22,23)" . "OB(C(NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)CC(C)C)O" . "OB([C@@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)CC(C)C)O" . "MXAYKZJJDUDWDS-LBPRGKRZSA-N" . "InChI=1S/C14H19BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,22-23H,5,7H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1" . "OC1CC2CC1CC2Nc1ncnc2c1nc(n2C)N(C(C)C)C" . "OC1CC2CC1C[C@H]2Nc1ncnc2c1nc(n2C)N(C(C)C)C" . "FTVZUYADPTUEKI-AYNROABZSA-N" . "InChI=1S/C17H26N6O/c1-9(2)22(3)17-21-14-15(18-8-19-16(14)23(17)4)20-12-6-11-5-10(12)7-13(11)24/h8-13,24H,5-7H2,1-4H3,(H,18,19,20)/t10?,11?,12-,13?/m1/s1" . "O=C(NCCOCCOCCNS(=O)(=O)c1cccc(c1)C1CN(C)Cc2c1cc(Cl)cc2Cl)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c1cccc(c1)C1CN(C)Cc2c1cc(Cl)cc2Cl" . "O=C(NCCOCCOCCNS(=O)(=O)c1cccc(c1)[C@@H]1CN(C)Cc2c1cc(Cl)cc2Cl)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c1cccc(c1)[C@@H]1CN(C)Cc2c1cc(Cl)cc2Cl" . "DNHPDWGIXIMXSA-CXNSMIOJSA-N" . "InChI=1S/C50H66Cl4N8O10S2/c1-61-31-43(41-27-37(51)29-47(53)45(41)33-61)35-7-5-9-39(25-35)73(65,66)59-15-19-71-23-21-69-17-13-57-49(63)55-11-3-4-12-56-50(64)58-14-18-70-22-24-72-20-16-60-74(67,68)40-10-6-8-36(26-40)44-32-62(2)34-46-42(44)28-38(52)30-48(46)54/h5-10,25-30,43-44,59-60H,3-4,11-24,31-34H2,1-2H3,(H2,55,57,63)(H2,56,58,64)/t43-,44-/m0/s1" . "CCCCC1=NC2(C(=O)N1Cc1ccc(c(c1)COCC)c1ccccc1S(=O)(=O)Nc1noc(c1C)C)CCCC2" . "CCCCC1=NC2(C(=O)N1Cc1ccc(c(c1)COCC)c1ccccc1S(=O)(=O)Nc1noc(c1C)C)CCCC2" . "WRFHGDPIDHPWIQ-UHFFFAOYSA-N" . "InChI=1S/C32H40N4O5S/c1-5-7-14-29-33-32(17-10-11-18-32)31(37)36(29)20-24-15-16-26(25(19-24)21-40-6-2)27-12-8-9-13-28(27)42(38,39)35-30-22(3)23(4)41-34-30/h8-9,12-13,15-16,19H,5-7,10-11,14,17-18,20-21H2,1-4H3,(H,34,35)" . "OC1C(COP(=O)(OP(=O)(O)O)[B-])OC(C1O)n1cnc2c1nc(Cl)nc2N" . "O[C@@H]1[C@@H](CO[P@@](=O)(OP(=O)(O)O)[B-])O[C@H]([C@@H]1O)n1cnc2c1nc(Cl)nc2N" . "XLTJNJOUVKOQCW-MWZJDIDNSA-N" . "InChI=1S/C10H13BClN5O9P2/c11-27(20,26-28(21,22)23)24-1-3-5(18)6(19)9(25-3)17-2-14-4-7(13)15-10(12)16-8(4)17/h2-3,5-6,9,18-19H,1H2,(H2,13,15,16)(H2,21,22,23)/q-1/t3-,5-,6-,9-,27-/m1/s1" . "COC1C(CCC2(C1C1(C)OC1CC=C(C)C)CO2)OC(=O)C=Cc1ccc(cc1)OCCN(C)C" . "CO[C@@H]1[C@@H](CC[C@@]2([C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)CO2)OC(=O)/C=C/c1ccc(cc1)OCCN(C)C" . "ZEZFKUBILQRZCK-MJSCXXSSSA-N" . "InChI=1S/C29H41NO6/c1-20(2)7-13-24-28(3,36-24)27-26(32-6)23(15-16-29(27)19-34-29)35-25(31)14-10-21-8-11-22(12-9-21)33-18-17-30(4)5/h7-12,14,23-24,26-27H,13,15-19H2,1-6H3/b14-10+/t23-,24-,26-,27-,28+,29+/m1/s1" . "Clc1ccc2c(c1)c(c[nH]2)C1N2C(=O)CN(C(=O)C2Cc2c1cc1OCOc1c2)C" . "Clc1ccc2c(c1)c(c[nH]2)[C@H]1N2C(=O)CN(C(=O)[C@@H]2Cc2c1cc1OCOc1c2)C" . "FSEZESVJDPKRDS-UWJYYQICSA-N" . "InChI=1S/C22H18ClN3O4/c1-25-9-20(27)26-17(22(25)28)4-11-5-18-19(30-10-29-18)7-13(11)21(26)15-8-24-16-3-2-12(23)6-14(15)16/h2-3,5-8,17,21,24H,4,9-10H2,1H3/t17-,21-/m0/s1" . "CN1CCc2c(C(C1)c1cccc(c1)C)cc(c(c2Cl)O)O" . "CN1CCc2c(C(C1)c1cccc(c1)C)cc(c(c2Cl)O)O" . "JXMYTVOBSFOHAF-UHFFFAOYSA-N" . "InChI=1S/C18H20ClNO2/c1-11-4-3-5-12(8-11)15-10-20(2)7-6-13-14(15)9-16(21)18(22)17(13)19/h3-5,8-9,15,21-22H,6-7,10H2,1-2H3" . "COC(=O)CCC1N=C(c2ccccn2)c2c(n3c1nc(c3)C)ccc(c2)Br" . "COC(=O)CC[C@@H]1N=C(c2ccccn2)c2c(n3c1nc(c3)C)ccc(c2)Br" . "GHUYIIGPWBMOGY-KRWDZBQOSA-N" . "InChI=1S/C21H19BrN4O2/c1-13-12-26-18-8-6-14(22)11-15(18)20(16-5-3-4-10-23-16)25-17(21(26)24-13)7-9-19(27)28-2/h3-6,8,10-12,17H,7,9H2,1-2H3/t17-/m0/s1" . "Cc1ccc(cc1C)N1CCN(CC1)Cc1nc2c([nH]1)cccc2" . "Cc1ccc(cc1C)N1CCN(CC1)Cc1nc2c([nH]1)cccc2" . "SAQMCVDGOIRQTC-UHFFFAOYSA-N" . "InChI=1S/C20H24N4/c1-15-7-8-17(13-16(15)2)24-11-9-23(10-12-24)14-20-21-18-5-3-4-6-19(18)22-20/h3-8,13H,9-12,14H2,1-2H3,(H,21,22)" . "Clc1ccc(cc1)CN1CCOC(C1)CCc1ccccc1" . "Clc1ccc(cc1)CN1CCO[C@@H](C1)CCc1ccccc1" . "CVKXGRRJHJHUFY-LJQANCHMSA-N" . "InChI=1S/C19H22ClNO/c20-18-9-6-17(7-10-18)14-21-12-13-22-19(15-21)11-8-16-4-2-1-3-5-16/h1-7,9-10,19H,8,11-15H2/t19-/m1/s1" . "Cc1cccc(c1)C(=O)NCN1CCC(CC1)c1cccc[n+]1[O-]" . "Cc1cccc(c1)C(=O)NCN1CCC(CC1)c1cccc[n+]1[O-]" . "PUMMPCXNEPHBNN-UHFFFAOYSA-N" . "InChI=1S/C19H23N3O2/c1-15-5-4-6-17(13-15)19(23)20-14-21-11-8-16(9-12-21)18-7-2-3-10-22(18)24/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,20,23)" . "CCCCNC(=O)c1cc(N)ccc1Oc1ccc(cc1)OCC" . "CCCCNC(=O)c1cc(N)ccc1Oc1ccc(cc1)OCC" . "RDHPPQMUBJSJFR-UHFFFAOYSA-N" . "InChI=1S/C19H24N2O3/c1-3-5-12-21-19(22)17-13-14(20)6-11-18(17)24-16-9-7-15(8-10-16)23-4-2/h6-11,13H,3-5,12,20H2,1-2H3,(H,21,22)" . "O=C(c1cccc(c1)NCc1nnc(n1C)c1ccncc1)NCc1ccccc1C(F)(F)F" . "O=C(c1cccc(c1)NCc1nnc(n1C)c1ccncc1)NCc1ccccc1C(F)(F)F" . "WFOVEDJTASPCIR-UHFFFAOYSA-N" . "InChI=1S/C24H21F3N6O/c1-33-21(31-32-22(33)16-9-11-28-12-10-16)15-29-19-7-4-6-17(13-19)23(34)30-14-18-5-2-3-8-20(18)24(25,26)27/h2-13,29H,14-15H2,1H3,(H,30,34)" . "N#Cc1ccc(cc1)CNC(=O)CCCCCN1CCN(CC1)c1ccccc1c1ccccc1" . "N#Cc1ccc(cc1)CNC(=O)CCCCCN1CCN(CC1)c1ccccc1c1ccccc1" . "BQEDZLDNNBDKDS-UHFFFAOYSA-N" . "InChI=1S/C30H34N4O/c31-23-25-14-16-26(17-15-25)24-32-30(35)13-5-2-8-18-33-19-21-34(22-20-33)29-12-7-6-11-28(29)27-9-3-1-4-10-27/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-22,24H2,(H,32,35)" . "CSc1ccccc1N1CCN(CC1)CCCCCC(=O)NC1CCCc2c1cccc2" . "CSc1ccccc1N1CCN(CC1)CCCCCC(=O)NC1CCCc2c1cccc2" . "JNBBJUHCODFLEG-UHFFFAOYSA-N" . "InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)" . "CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O" . "CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O" . "AVOLMBLBETYQHX-UHFFFAOYSA-N" . "InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)" . "O=C(NC1CCCc2c1cccc2)CCCCCN1CCN(CC1)c1ccccc1c1ccccc1" . "O=C(NC1CCCc2c1cccc2)CCCCCN1CCN(CC1)c1ccccc1c1ccccc1" . "NMZIDFFHGCRAJV-UHFFFAOYSA-N" . "InChI=1S/C32H39N3O/c36-32(33-30-18-11-15-26-14-6-7-16-28(26)30)20-5-2-10-21-34-22-24-35(25-23-34)31-19-9-8-17-29(31)27-12-3-1-4-13-27/h1,3-4,6-9,12-14,16-17,19,30H,2,5,10-11,15,18,20-25H2,(H,33,36)" . "CN(C1CCc2c(C1)cccc2c1c(C)nn(c1C)C)C" . "CN([C@H]1CCc2c(C1)cccc2c1c(C)nn(c1C)C)C" . "BTTOYOKCLDAHHO-HNNXBMFYSA-N" . "InChI=1S/C18H25N3/c1-12-18(13(2)21(5)19-12)17-8-6-7-14-11-15(20(3)4)9-10-16(14)17/h6-8,15H,9-11H2,1-5H3/t15-/m0/s1" . "Clc1ccc(cc1)c1nn(c2c1CCNCC2)Cc1ccccc1" . "Clc1ccc(cc1)c1nn(c2c1CCNCC2)Cc1ccccc1" . "UKJPMZGILXATGT-UHFFFAOYSA-N" . "InChI=1S/C20H20ClN3/c21-17-8-6-16(7-9-17)20-18-10-12-22-13-11-19(18)24(23-20)14-15-4-2-1-3-5-15/h1-9,22H,10-14H2" . "O=C1Nc2c3C1(CCCCN1CCC(=CC1)c1ccccc1)CCCc3ccc2" . "O=C1Nc2c3C1(CCCCN1CCC(=CC1)c1ccccc1)CCCc3ccc2" . "JBQOYPLKTTXLSQ-UHFFFAOYSA-N" . "InChI=1S/C26H30N2O/c29-25-26(16-7-11-22-10-6-12-23(27-25)24(22)26)15-4-5-17-28-18-13-21(14-19-28)20-8-2-1-3-9-20/h1-3,6,8-10,12-13H,4-5,7,11,14-19H2,(H,27,29)" . "CN1CCN(CC1)c1cccc2c1ncc(c2)S(=O)(=O)c1cccc(c1)F" . "[11CH3]N1CCN(CC1)c1cccc2c1ncc(c2)S(=O)(=O)c1cccc(c1)F" . "PXVJEDOZGDZJQY-BJUDXGSMSA-N" . "InChI=1S/C20H20FN3O2S/c1-23-8-10-24(11-9-23)19-7-2-4-15-12-18(14-22-20(15)19)27(25,26)17-6-3-5-16(21)13-17/h2-7,12-14H,8-11H2,1H3/i1-1" . "CN(CCn1cc(c2c1nccc2)S(=O)(=O)c1cccc(c1)F)C" . "CN(CCn1cc(c2c1nccc2)S(=O)(=O)c1cccc(c1)F)C" . "SFSFIDVAEMDPIP-UHFFFAOYSA-N" . "InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3" . "COc1cc(N)c(cc1C(=O)NCC1CCN(CC1)CCC(c1ccc(cc1)F)OC(=O)N)Cl" . "COc1cc(N)c(cc1C(=O)NCC1CCN(CC1)CC[C@@H](c1ccc(cc1)F)OC(=O)N)Cl" . "KGMMSPVVHZGPHL-NRFANRHFSA-N" . "InChI=1S/C24H30ClFN4O4/c1-33-22-13-20(27)19(25)12-18(22)23(31)29-14-15-6-9-30(10-7-15)11-8-21(34-24(28)32)16-2-4-17(26)5-3-16/h2-5,12-13,15,21H,6-11,14,27H2,1H3,(H2,28,32)(H,29,31)/t21-/m0/s1" . "COC(=O)N1CCC(CC1)CN1CCC(CC1)CNC(=O)c1cccc2c1nc([nH]2)C(C)C" . "COC(=O)N1CCC(CC1)CN1CCC(CC1)CNC(=O)c1cccc2c1nc([nH]2)C(C)C" . "MZOITCJKGUIQEI-UHFFFAOYSA-N" . "InChI=1S/C25H37N5O3/c1-17(2)23-27-21-6-4-5-20(22(21)28-23)24(31)26-15-18-7-11-29(12-8-18)16-19-9-13-30(14-10-19)25(32)33-3/h4-6,17-19H,7-16H2,1-3H3,(H,26,31)(H,27,28)" . "OC(CN(S(=O)(=O)C)C)CN1C2CCC1CC(C2)NC(=O)c1cc2ccccc2n(c1=O)C(C)C" . "O[C@@H](CN(S(=O)(=O)C)C)CN1[C@@H]2CC[C@H]1CC(C2)NC(=O)c1cc2ccccc2n(c1=O)C(C)C" . "HXLOHDZQBKCUCR-VTHDOGFWSA-N" . "InChI=1S/C25H36N4O5S/c1-16(2)29-23-8-6-5-7-17(23)11-22(25(29)32)24(31)26-18-12-19-9-10-20(13-18)28(19)15-21(30)14-27(3)35(4,33)34/h5-8,11,16,18-21,30H,9-10,12-15H2,1-4H3,(H,26,31)/t18?,19-,20+,21-/m0/s1" . "CCOc1ccc2c(c1)Sc1c(C2=C2CCN(CC2)C)c(OC)ccc1" . "CCOc1ccc2c(c1)Sc1c(C2=C2CCN(CC2)C)c(OC)ccc1" . "ANZVBVKYXOGOQC-UHFFFAOYSA-N" . "InChI=1S/C22H25NO2S/c1-4-25-16-8-9-17-20(14-16)26-19-7-5-6-18(24-3)22(19)21(17)15-10-12-23(2)13-11-15/h5-9,14H,4,10-13H2,1-3H3" . "CC(COc1ccc(cc1)CNC(=O)N(C1CCN(CC1)C)Cc1ccc(cc1)F)C" . "CC(COc1ccc(cc1)CNC(=O)N(C1CCN(CC1)C)Cc1ccc(cc1)F)C" . "RKEWSXXUOLRFBX-UHFFFAOYSA-N" . "InChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)" . "CCCC(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2" . "CCCC(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2" . "OQDBJMBOPCUBGS-UHFFFAOYSA-N" . "InChI=1S/C17H24N2O/c1-4-5-15(20)10-13-6-7-17-16(11-13)14(12-18-17)8-9-19(2)3/h6-7,11-12,18H,4-5,8-10H2,1-3H3" . "CNC(=O)C12CC1C(C(C2O)O)n1cnc2c1nc(C#Cc1ccc(c(c1)F)F)nc2NCc1cccc(c1)Cl" . "CNC(=O)[C@@]12C[C@@H]1[C@H]([C@@H]([C@@H]2O)O)n1cnc2c1nc(C#Cc1ccc(c(c1)F)F)nc2NCc1cccc(c1)Cl" . "LYLLLJJYBWLGHW-CIZVZKTGSA-N" . "InChI=1S/C28H23ClF2N6O3/c1-32-27(40)28-11-17(28)22(23(38)24(28)39)37-13-34-21-25(33-12-15-3-2-4-16(29)9-15)35-20(36-26(21)37)8-6-14-5-7-18(30)19(31)10-14/h2-5,7,9-10,13,17,22-24,38-39H,11-12H2,1H3,(H,32,40)(H,33,35,36)/t17-,22-,23+,24+,28+/m1/s1" . "CCNC(=O)C1OC(C(C1O)O)n1cnc2c1nc(nc2NCC(c1ccccc1)c1ccccc1)C(=O)NCCNC(=O)NC1CCN(CC1)c1ccccn1" . "CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2NCC(c1ccccc1)c1ccccc1)C(=O)NCCNC(=O)NC1CCN(CC1)c1ccccn1" . "ZOTHAEBAWXWVID-HXEFRTELSA-N" . "InChI=1S/C40H47N11O6/c1-2-41-37(54)33-31(52)32(53)39(57-33)51-24-46-30-34(45-23-28(25-11-5-3-6-12-25)26-13-7-4-8-14-26)48-35(49-36(30)51)38(55)43-19-20-44-40(56)47-27-16-21-50(22-17-27)29-15-9-10-18-42-29/h3-15,18,24,27-28,31-33,39,52-53H,2,16-17,19-23H2,1H3,(H,41,54)(H,43,55)(H2,44,47,56)(H,45,48,49)/t31-,32+,33-,39+/m0/s1" . "OC(=O)CC1CCC2(CC1)CCN(CC2)c1cc(ccc1Cl)OC(F)(F)F" . "OC(=O)CC1CCC2(CC1)CCN(CC2)c1cc(ccc1Cl)OC(F)(F)F" . "WUJVPELCYCESAP-UHFFFAOYSA-N" . "InChI=1S/C19H23ClF3NO3/c20-15-2-1-14(27-19(21,22)23)12-16(15)24-9-7-18(8-10-24)5-3-13(4-6-18)11-17(25)26/h1-2,12-13H,3-11H2,(H,25,26)" . "OC(=O)CCCN(C(=O)C1(C)CCN1C(=O)c1csc2c1cccc2)Cc1cccc(c1)Cl" . "OC(=O)CCCN(C(=O)[C@@]1(C)CCN1C(=O)c1csc2c1cccc2)Cc1cccc(c1)Cl" . "MPMKMQHJHDHPBE-RUZDIDTESA-N" . "InChI=1S/C25H25ClN2O4S/c1-25(11-13-28(25)23(31)20-16-33-21-9-3-2-8-19(20)21)24(32)27(12-5-10-22(29)30)15-17-6-4-7-18(26)14-17/h2-4,6-9,14,16H,5,10-13,15H2,1H3,(H,29,30)/t25-/m1/s1" . "O=C1N(CCOc2c1cc(cc2)c1ccc(cc1)OC(F)(F)F)Cc1ncccn1" . "O=C1N(CCOc2c1cc(cc2)c1ccc(cc1)OC(F)(F)F)Cc1ncccn1" . "YNUAEEJQYHYLMS-UHFFFAOYSA-N" . "InChI=1S/C21H16F3N3O3/c22-21(23,24)30-16-5-2-14(3-6-16)15-4-7-18-17(12-15)20(28)27(10-11-29-18)13-19-25-8-1-9-26-19/h1-9,12H,10-11,13H2" . "CCn1cc(c2cccc(c2)C(F)(F)F)c2c(c1=O)cc(s2)C(=N)NC1CCS(=O)(=O)CC1" . "CCn1cc(c2cccc(c2)C(F)(F)F)c2c(c1=O)cc(s2)C(=N)NC1CCS(=O)(=O)CC1" . "WRUWGLUCNBMGPS-UHFFFAOYSA-N" . "InChI=1S/C22H22F3N3O3S2/c1-2-28-12-17(13-4-3-5-14(10-13)22(23,24)25)19-16(21(28)29)11-18(32-19)20(26)27-15-6-8-33(30,31)9-7-15/h3-5,10-12,15H,2,6-9H2,1H3,(H2,26,27)" . "COc1ccc(cc1)Oc1cc2c(cc1NS(=O)(=O)c1ccc(c(c1)OC)OC)n(c(=O)n2C)C" . "COc1ccc(cc1)Oc1cc2c(cc1NS(=O)(=O)c1ccc(c(c1)OC)OC)n(c(=O)n2C)C" . "KNVIUMWNYXDULF-UHFFFAOYSA-N" . "InChI=1S/C24H25N3O7S/c1-26-19-13-18(25-35(29,30)17-10-11-21(32-4)23(12-17)33-5)22(14-20(19)27(2)24(26)28)34-16-8-6-15(31-3)7-9-16/h6-14,25H,1-5H3" . "CCNC(=O)NCCSCC1OC(C(C1O)O)n1cnc2c1ncnc2N" . "CCNC(=O)NCCSC[C@H]1OC([C@@H]([C@H]1O)O)n1cnc2c1ncnc2N" . "CACMCLIHCDTJHL-XLAISSFRSA-N" . "InChI=1S/C15H23N7O4S/c1-2-17-15(25)18-3-4-27-5-8-10(23)11(24)14(26-8)22-7-21-9-12(16)19-6-20-13(9)22/h6-8,10-11,14,23-24H,2-5H2,1H3,(H2,16,19,20)(H2,17,18,25)/t8-,10+,11-,14?/m1/s1" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)N)CC(C)C)CCC(=O)O)CCC(=O)O)CCC(=O)O)CCC(=O)O)CCC(=O)O)C)Cc1ccc(cc1)O " . "CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O" . "SSBRJDBGIVUNDK-QOGDCIHTSA-N" . "InChI=1S/C85H109N17O27S/c1-43(2)34-62(101-75(119)52(86)37-47-40-88-53-16-10-8-14-50(47)53)83(127)97-59(26-31-71(113)114)81(125)96-58(25-30-70(111)112)80(124)95-57(24-29-69(109)110)79(123)94-56(23-28-68(107)108)78(122)93-55(22-27-67(105)106)77(121)91-44(3)74(118)100-63(36-46-18-20-49(103)21-19-46)76(120)90-42-66(104)92-64(38-48-41-89-54-17-11-9-15-51(48)54)84(128)98-60(32-33-130-4)82(126)102-65(39-72(115)116)85(129)99-61(73(87)117)35-45-12-6-5-7-13-45/h5-21,40-41,43-44,52,55-65,88-89,103H,22-39,42,86H2,1-4H3,(H2,87,117)(H,90,120)(H,91,121)(H,92,104)(H,93,122)(H,94,123)(H,95,124)(H,96,125)(H,97,127)(H,98,128)(H,99,129)(H,100,118)(H,101,119)(H,102,126)(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,115,116)/t44-,52-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)CCSC)Cc1c[nH]c2c1cccc2)Cc1ccc(cc1)O)C)CCC(=O)O)CCC(=O)O)CCC(=O)O)CCC(=O)O)CCC(=O)O)CC(C)C)Cc1c[nH]c2c1cccc2)CCC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C1CCC(=O)N1)CC(C)C)CCC(=O)N)Cc1nc[nH]c1)CC(C)C)C)CC(=O)O)CO)CCCCN " . "CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O" . "DKONFPYEAKZHHO-JCVYGFDXSA-N" . "InChI=1S/C176H251N43O53S/c1-89(2)70-117(206-157(253)109-47-55-134(224)192-109)152(248)188-85-137(227)215-64-23-36-127(215)170(266)203-108(46-54-133(180)223)151(247)187-86-138(228)217-66-27-40-131(217)176(272)219-68-26-39-130(219)172(268)211-123(77-99-82-182-88-189-99)166(262)208-119(72-91(5)6)168(264)214-146(92(7)8)174(270)191-94(10)149(245)212-125(79-145(241)242)175(271)218-67-25-38-129(218)173(269)213-126(87-220)169(265)195-106(35-20-22-63-178)155(251)194-105(34-19-21-62-177)156(252)196-107(45-53-132(179)222)150(246)186-84-136(226)216-65-24-37-128(216)171(267)210-122(76-98-81-184-104-33-18-16-31-102(98)104)165(261)207-118(71-90(3)4)163(259)201-114(52-60-143(237)238)161(257)200-113(51-59-142(235)236)160(256)199-112(50-58-141(233)234)159(255)198-111(49-57-140(231)232)158(254)197-110(48-56-139(229)230)154(250)190-93(9)148(244)205-120(74-96-41-43-100(221)44-42-96)153(249)185-83-135(225)193-121(75-97-80-183-103-32-17-15-30-101(97)103)164(260)202-115(61-69-273-11)162(258)209-124(78-144(239)240)167(263)204-116(147(181)243)73-95-28-13-12-14-29-95/h12-18,28-33,41-44,80-82,88-94,105-131,146,183-184,220-221H,19-27,34-40,45-79,83-87,177-178H2,1-11H3,(H2,179,222)(H2,180,223)(H2,181,243)(H,182,189)(H,185,249)(H,186,246)(H,187,247)(H,188,248)(H,190,250)(H,191,270)(H,192,224)(H,193,225)(H,194,251)(H,195,265)(H,196,252)(H,197,254)(H,198,255)(H,199,256)(H,200,257)(H,201,259)(H,202,260)(H,203,266)(H,204,263)(H,205,244)(H,206,253)(H,207,261)(H,208,262)(H,209,258)(H,210,267)(H,211,268)(H,212,245)(H,213,269)(H,214,264)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H,241,242)/t93-,94-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,146-/m0/s1" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C1CCCN1C(=O)CNC(=O)C1CCC(=O)N1)CC(C)C)CCC(=O)O)CCC(=O)O)CCC(=O)O)CCC(=O)O)CCC(=O)O)C)Cc1ccc(cc1)O" . "CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O" . "GKDWRERMBNGKCZ-RNXBIMIWSA-N" . "InChI=1S/C97H124N20O31S/c1-49(2)39-68(114-95(146)71(43-54-46-100-59-18-11-9-16-57(54)59)116-97(148)73-19-12-37-117(73)76(121)48-102-85(136)60-24-30-74(119)104-60)93(144)110-65(29-35-81(130)131)91(142)109-64(28-34-80(128)129)90(141)108-63(27-33-79(126)127)89(140)107-62(26-32-78(124)125)88(139)106-61(25-31-77(122)123)87(138)103-50(3)84(135)113-69(41-52-20-22-55(118)23-21-52)86(137)101-47-75(120)105-70(42-53-45-99-58-17-10-8-15-56(53)58)94(145)111-66(36-38-149-4)92(143)115-72(44-82(132)133)96(147)112-67(83(98)134)40-51-13-6-5-7-14-51/h5-11,13-18,20-23,45-46,49-50,60-73,99-100,118H,12,19,24-44,47-48H2,1-4H3,(H2,98,134)(H,101,137)(H,102,136)(H,103,138)(H,104,119)(H,105,120)(H,106,139)(H,107,140)(H,108,141)(H,109,142)(H,110,144)(H,111,145)(H,112,147)(H,113,135)(H,114,146)(H,115,143)(H,116,148)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H,132,133)/t50-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1" . "CCC(C1C(=O)NC(C(=O)N1C(C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C" . "CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C" . "PLVGDGRBPMVYPB-FDUHJNRSSA-N" . "InChI=1S/C27H34N4O5/c1-4-16(2)23-25(32)29-22(20-13-18-7-5-6-8-19(18)14-20)26(33)31(23)24(21-15-36-17(3)28-21)27(34)30-9-11-35-12-10-30/h5-8,15-16,20,22-24H,4,9-14H2,1-3H3,(H,29,32)/t16-,22+,23+,24+/m0/s1" . "Fc1ccc(c(c1)C1OCC(CC1N)N1Cc2c(C1)cn(n2)S(=O)(=O)C)F" . "Fc1ccc(c(c1)[C@H]1OC[C@@H](C[C@@H]1N)N1Cc2c(C1)cn(n2)S(=O)(=O)C)F" . "MKMPWKUAHLTIBJ-ISTRZQFTSA-N" . "InChI=1S/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17-/m1/s1" . "OC(=O)C(Cc1ccccc1)(N)C" . "OC(=O)C(Cc1ccccc1)(N)C" . "HYOWVAAEQCNGLE-UHFFFAOYSA-N" . "InChI=1S/C10H13NO2/c1-10(11,9(12)13)7-8-5-3-2-4-6-8/h2-6H,7,11H2,1H3,(H,12,13)" . "OC(=O)C1CCC(CC1)CN1CCCC(c2c1c(C)cc(c2)C)N(c1nnn(n1)C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "OC(=O)C1CCC(CC1)CN1CCC[C@@H](c2c1c(C)cc(c2)C)N(c1nnn(n1)C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "IHIUGIVXARLYHP-UXNJHFGPSA-N" . "InChI=1S/C31H36F6N6O2/c1-18-11-19(2)27-25(12-18)26(5-4-10-42(27)16-20-6-8-22(9-7-20)28(44)45)43(29-38-40-41(3)39-29)17-21-13-23(30(32,33)34)15-24(14-21)31(35,36)37/h11-15,20,22,26H,4-10,16-17H2,1-3H3,(H,44,45)/t20?,22?,26-/m0/s1" . "COc1cc(F)c(cc1c1ccc(cc1CN1C(=O)OC(C1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C)C" . "COc1cc(F)c(cc1c1ccc(cc1CN1C(=O)O[C@@H]([C@@H]1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C)C" . "MZZLGJHLQGUVPN-HAWMADMCSA-N" . "InChI=1S/C30H25F10NO3/c1-14(2)22-11-23(25(43-4)12-24(22)31)21-6-5-18(28(32,33)34)9-17(21)13-41-15(3)26(44-27(41)42)16-7-19(29(35,36)37)10-20(8-16)30(38,39)40/h5-12,14-15,26H,13H2,1-4H3/t15-,26-/m0/s1" . "COC(C1Cc2cc3cc(OC4OC(C)C(C(C4)OC4CC(O)C(C(O4)C)O)O)c(c(c3c(c2C(=O)C1OC1OC(C)C(C(C1)OC1OC(C)C(C(C1)OC1OC(C)C(C(C1)(C)O)O)O)O)O)O)C)C(=O)C(C(O)C)O" . "CO[C@@H]([C@@H]1Cc2cc3cc(O[C@@H]4O[C@H](C)[C@H]([C@@H](C4)O[C@H]4C[C@@H](O)[C@@H]([C@H](O4)C)O)O)c(c(c3c(c2C(=O)[C@H]1O[C@@H]1O[C@H](C)[C@H]([C@@H](C1)O[C@@H]1O[C@H](C)[C@@H]([C@@H](C1)O[C@@H]1O[C@H](C)[C@H]([C@@](C1)(C)O)O)O)O)O)O)C)C(=O)[C@H]([C@H](O)C)O" . "CFCUWKMKBJTWLW-BKHRDMLASA-N" . "InChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43-,44-,45+,49+,50+,51-,52+/m1/s1" . "CCCC1OC(=O)C(=O)C1C(=O)O" . "CCC[C@@H]1OC(=O)C(=O)[C@H]1C(=O)O" . "AKWJFOMNTDKSRR-WHFBIAKZSA-N" . "InChI=1S/C8H10O5/c1-2-3-4-5(7(10)11)6(9)8(12)13-4/h4-5H,2-3H2,1H3,(H,10,11)/t4-,5-/m0/s1" . "OCC1CC(C(C1O)O)n1cnc2c1ccnc2N" . "OCC1CC([C@@H]([C@@H]1O)O)n1cnc2c1ccnc2N" . "XNJHAZWZQGXOSC-FDNQDJDWSA-N" . "InChI=1S/C12H16N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)/t6?,8?,10-,11+/m1/s1" . "ONC(=O)c1cnc(nc1)N1CC2C(C1)C2NCc1ccc2c(n1)ccc(c2)F" . "ONC(=O)c1cnc(nc1)N1C[C@@H]2[C@H](C1)[C@H]2NCc1ccc2c(n1)ccc(c2)F" . "QRGHOAATPOLDPF-VQFNDLOPSA-N" . "InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18+" . "NC1CCC(CC1)NC1CC1c1ccccc1" . "NC1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1" . "ALHBJBCQLJZYON-PFSRBDOWSA-N" . "InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12?,13?,14-,15+/m0/s1" . "COc1cc2c(cc1OCCOCCN(C)C)nc(nc2NC1CCN(CC1)C)N1CCCN(CC1)C" . "COc1cc2c(cc1OCCOCCN(C)C)nc(nc2NC1CCN(CC1)C)N1CCCN(CC1)C" . "AULLUGALUBVBDD-UHFFFAOYSA-N" . "InChI=1S/C27H45N7O3/c1-31(2)15-16-36-17-18-37-25-20-23-22(19-24(25)35-5)26(28-21-7-11-33(4)12-8-21)30-27(29-23)34-10-6-9-32(3)13-14-34/h19-21H,6-18H2,1-5H3,(H,28,29,30)" . "OCC12SSC3(N(C1=O)C1Nc4c(C1(C3)C13CC56N(C3Nc3c1cccc3)C(=O)C(SS5)(N(C6=O)C)CO)cccc4)C(=O)N2C" . "OCC12SSC3(N(C1=O)C1Nc4c(C1(C3)C13CC56N(C3Nc3c1cccc3)C(=O)C(SS5)(N(C6=O)C)CO)cccc4)C(=O)N2C" . "PZPPOCZWRGNKIR-UHFFFAOYSA-N" . "InChI=1S/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3" . "COc1cc(ccc1OC)NC(=S)NCCCn1cncc1" . "COc1cc(ccc1OC)NC(=S)NCCCn1cncc1" . "FZQXMGLQANXZRP-UHFFFAOYSA-N" . "InChI=1S/C15H20N4O2S/c1-20-13-5-4-12(10-14(13)21-2)18-15(22)17-6-3-8-19-9-7-16-11-19/h4-5,7,9-11H,3,6,8H2,1-2H3,(H2,17,18,22)" . "O=C(c1cc(cc2c1cnn2C1CCCC1)c1ccc(cc1)CN1CCOCC1)NCc1c(C)cc([nH]c1=O)C" . "O=C(c1cc(cc2c1cnn2C1CCCC1)c1ccc(cc1)CN1CCOCC1)NCc1c(C)cc([nH]c1=O)C" . "ZOIBZSZLMJDVDQ-UHFFFAOYSA-N" . "InChI=1S/C32H37N5O3/c1-21-15-22(2)35-32(39)28(21)18-33-31(38)27-16-25(17-30-29(27)19-34-37(30)26-5-3-4-6-26)24-9-7-23(8-10-24)20-36-11-13-40-14-12-36/h7-10,15-17,19,26H,3-6,11-14,18,20H2,1-2H3,(H,33,38)(H,35,39)" . "COc1ccc(cc1O)C(=O)C1=C2OC(C)(C)C(CC32CC(C(C(C1=O)(C3=O)CC=C(C)C)(C)C)CC=C(C)C)CC=C(C)C" . "COc1ccc(cc1O)C(=O)C1=C2OC(C)(C)[C@H](C[C@]32C[C@H](C([C@@](C1=O)(C3=O)CC=C(C)C)(C)C)CC=C(C)C)CC=C(C)C" . "GEMUMPJYCDKSDU-OAKZDBKWSA-N" . "InChI=1S/C39H52O6/c1-23(2)12-15-27-21-38-22-28(16-13-24(3)4)37(9,10)45-34(38)31(32(41)26-14-17-30(44-11)29(40)20-26)33(42)39(35(38)43,36(27,7)8)19-18-25(5)6/h12-14,17-18,20,27-28,40H,15-16,19,21-22H2,1-11H3/t27-,28+,38+,39+/m1/s1" . "NC(=N)NCCCC(C(=O)O)NC(=O)CSCC(c1ccccc1)c1ccccc1" . "NC(=N)NCCC[C@@H](C(=O)O)NC(=O)CSCC(c1ccccc1)c1ccccc1" . "OVJFQPIFXZBDKN-IBGZPJMESA-N" . "InChI=1S/C22H28N4O3S/c23-22(24)25-13-7-12-19(21(28)29)26-20(27)15-30-14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,26,27)(H,28,29)(H4,23,24,25)/t19-/m0/s1" . "Nc1ncc(c(c1)C(F)(F)F)c1nc(nc(n1)N1CCOCC1)N1CCOCC1" . "Nc1ncc(c(c1)C(F)(F)F)c1nc(nc(n1)N1CCOCC1)N1CCOCC1" . "ADGGYDAFIHSYFI-UHFFFAOYSA-N" . "InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)" . "Nc1ncc(cn1)c1nc(nc2c1nc(n2C(C)C)C)N1CCOCC1" . "Nc1ncc(cn1)c1nc(nc2c1nc(n2C(C)C)C)N1CCOCC1" . "QYBGBLQCOOISAR-UHFFFAOYSA-N" . "InChI=1S/C17H22N8O/c1-10(2)25-11(3)21-14-13(12-8-19-16(18)20-9-12)22-17(23-15(14)25)24-4-6-26-7-5-24/h8-10H,4-7H2,1-3H3,(H2,18,19,20)" . "O=C(c1nc([nH]c1C)C(c1ccccc1)c1ccccc1)NC(C(=O)O)CCCNC(=N)N" . "O=C(c1nc([nH]c1C)C(c1ccccc1)c1ccccc1)N[C@H](C(=O)O)CCCNC(=N)N" . "RFBOIZXPIAOMAX-SFHVURJKSA-N" . "InChI=1S/C24H28N6O3/c1-15-20(22(31)29-18(23(32)33)13-8-14-27-24(25)26)30-21(28-15)19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18-19H,8,13-14H2,1H3,(H,28,30)(H,29,31)(H,32,33)(H4,25,26,27)/t18-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)C)CC(C)C)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1c[nH]c2c1cccc2)N)CC(=O)O)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)C)CO" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)C)CC(C)C)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)N)CC(=O)O)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)C)CO" . "CZCSLPSTPNFNFR-WILIORGOSA-N" . "InChI=1S/C90H137N31O19/c1-46(2)35-65(76(129)108-44-71(123)111-66(36-47(3)4)81(134)110-48(5)73(126)116-64(86(139)140)29-18-34-104-90(99)100)118-79(132)60(25-13-14-30-91)115-85(138)70(45-122)121-74(127)49(6)109-77(130)61(26-15-31-101-87(93)94)113-82(135)68(39-52-43-107-59-24-12-9-21-55(52)59)119-80(133)63(28-17-33-103-89(97)98)112-78(131)62(27-16-32-102-88(95)96)114-84(137)69(40-72(124)125)120-83(136)67(38-51-42-106-58-23-11-8-20-54(51)58)117-75(128)56(92)37-50-41-105-57-22-10-7-19-53(50)57/h7-12,19-24,41-43,46-49,56,60-70,105-107,122H,13-18,25-40,44-45,91-92H2,1-6H3,(H,108,129)(H,109,130)(H,110,134)(H,111,123)(H,112,131)(H,113,135)(H,114,137)(H,115,138)(H,116,126)(H,117,128)(H,118,132)(H,119,133)(H,120,136)(H,121,127)(H,124,125)(H,139,140)(H4,93,94,101)(H4,95,96,102)(H4,97,98,103)(H4,99,100,104)/t48-,49-,56-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1" . "Clc1cc(Cl)cc(c1)c1nc2c(o1)cc(cc2)C(=O)O" . "Clc1cc(Cl)cc(c1)c1nc2c(o1)cc(cc2)C(=O)O" . "TXEIIPDJKFWEEC-UHFFFAOYSA-N" . "InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19)" . "CCOCCn1nc(c2c1c(Nc1nccc(c1)C)nc(n2)N(CC)C)C(=O)NS(=O)(=O)C" . "CCOCCn1nc(c2c1c(Nc1nccc(c1)C)nc(n2)N(CC)C)C(=O)NS(=O)(=O)C" . "ZUHZNKJIJDAJFD-UHFFFAOYSA-N" . "InChI=1S/C20H28N8O4S/c1-6-27(4)20-23-15-16(19(29)26-33(5,30)31)25-28(10-11-32-7-2)17(15)18(24-20)22-14-12-13(3)8-9-21-14/h8-9,12H,6-7,10-11H2,1-5H3,(H,26,29)(H,21,22,23,24)" . "CCOc1ccc(cc1)Cc1cc(ccc1Cl)C12OCC(O1)(CO)C(C(C2O)O)O" . "CCOc1ccc(cc1)Cc1cc(ccc1Cl)[C@]12OC[C@@](O1)(CO)[C@H]([C@@H]([C@H]2O)O)O" . "MCIACXAZCBVDEE-CUUWFGFTSA-N" . "InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1" . "N#Cc1ccc(cc1)c1n(cnc1c1ccccc1)CCn1nnc(c1)C" . "N#Cc1ccc(cc1)c1n(cnc1c1ccccc1)CCn1nnc(c1)C" . "OAPIWVHFYSEARE-UHFFFAOYSA-N" . "InChI=1S/C21H18N6/c1-16-14-27(25-24-16)12-11-26-15-23-20(18-5-3-2-4-6-18)21(26)19-9-7-17(13-22)8-10-19/h2-10,14-15H,11-12H2,1H3" . "CCn1nc(c(c1)c1ccnc2c1cc([nH]2)c1cccc(c1)CN(C)C)c1ccc(cc1)NC(=O)N(C)C" . "CCn1nc(c(c1)c1ccnc2c1cc([nH]2)c1cccc(c1)CN(C)C)c1ccc(cc1)NC(=O)N(C)C" . "QTBWCSQGBMPECM-UHFFFAOYSA-N" . "InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)" . "NC(=NCCC[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N)CCCN=C(N)N)C)CCCN=C(N)N)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C)CSSC[C@@H](C(=O)O)N)C)CCCN=C(N)N)N" . "C[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC(=O)[C@@H](CSSC[C@@H](C(=O)O)N)NC(=O)C" . "ANIAZGVDEUQPRI-ZJQCGQFWSA-N" . "InChI=1S/C38H73N21O10S2/c1-18(28(62)56-22(27(40)61)8-4-12-49-35(41)42)53-30(64)23(9-5-13-50-36(43)44)58-32(66)25(11-7-15-52-38(47)48)59-31(65)24(10-6-14-51-37(45)46)57-29(63)19(2)54-33(67)26(55-20(3)60)17-71-70-16-21(39)34(68)69/h18-19,21-26H,4-17,39H2,1-3H3,(H2,40,61)(H,53,64)(H,54,67)(H,55,60)(H,56,62)(H,57,63)(H,58,66)(H,59,65)(H,68,69)(H4,41,42,49)(H4,43,44,50)(H4,45,46,51)(H4,47,48,52)/t18-,19-,21+,22-,23-,24-,25-,26-/m1/s1" . "COc1ccc2c(c1OCc1ccccc1)CC(N(C2)C(=O)C(c1ccccc1)c1ccccc1)C(=O)O" . "COc1ccc2c(c1OCc1ccccc1)C[C@H](N(C2)C(=O)C(c1ccccc1)c1ccccc1)C(=O)O" . "GHBCIXGRCZIPNQ-MHZLTWQESA-N" . "InChI=1S/C32H29NO5/c1-37-28-18-17-25-20-33(31(34)29(23-13-7-3-8-14-23)24-15-9-4-10-16-24)27(32(35)36)19-26(25)30(28)38-21-22-11-5-2-6-12-22/h2-18,27,29H,19-21H2,1H3,(H,35,36)/t27-/m0/s1" . "Clc1ccc(cc1)c1cc(C(C2CCCCN2)O)c2c(n1)cccc2" . "Clc1ccc(cc1)c1cc(C(C2CCCCN2)O)c2c(n1)cccc2" . "VKLJPGAHSLIQKH-UHFFFAOYSA-N" . "InChI=1S/C21H21ClN2O/c22-15-10-8-14(9-11-15)20-13-17(16-5-1-2-6-18(16)24-20)21(25)19-7-3-4-12-23-19/h1-2,5-6,8-11,13,19,21,23,25H,3-4,7,12H2" . "OCC(=O)OC1CC2(OC1(C)C1CCC(C1C2OC(=O)C=Cc1ccccc1)C)C(C)C" . "OCC(=O)O[C@@H]1C[C@@]2(O[C@@]1(C)[C@@H]1CC[C@H]([C@H]1[C@@H]2OC(=O)/C=C/c1ccccc1)C)C(C)C" . "GACOFEKSDCOVMV-RRYXBOBMSA-N" . "InChI=1S/C26H34O6/c1-16(2)26-14-20(30-22(29)15-27)25(4,32-26)19-12-10-17(3)23(19)24(26)31-21(28)13-11-18-8-6-5-7-9-18/h5-9,11,13,16-17,19-20,23-24,27H,10,12,14-15H2,1-4H3/b13-11+/t17-,19-,20-,23-,24+,25+,26-/m1/s1" . "COc1cc2CCN3C(c2cc1O)Cc1c(C3)c(OC)c(cc1)O" . "COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O" . "JKPISQIIWUONPB-HNNXBMFYSA-N" . "InChI=1S/C19H21NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1" . "Clc1cc(CN2CCN(CC2)c2ccccn2)c(c2c1cccn2)O" . "Clc1cc(CN2CCN(CC2)c2ccccn2)c(c2c1cccn2)O" . "OPEJNANYABTIGC-UHFFFAOYSA-N" . "InChI=1S/C19H19ClN4O/c20-16-12-14(19(25)18-15(16)4-3-7-22-18)13-23-8-10-24(11-9-23)17-5-1-2-6-21-17/h1-7,12,25H,8-11,13H2" . "O=C(c1ccc2c(c1)N(C)C(=O)c1c(S2=O)cccc1)NCCc1cccs1" . "O=C(c1ccc2c(c1)N(C)C(=O)c1c([S@@]2=O)cccc1)NCCc1cccs1" . "YXLLQNMKIDBOGH-NDEPHWFRSA-N" . "InChI=1S/C21H18N2O3S2/c1-23-17-13-14(20(24)22-11-10-15-5-4-12-27-15)8-9-19(17)28(26)18-7-3-2-6-16(18)21(23)25/h2-9,12-13H,10-11H2,1H3,(H,22,24)/t28-/m0/s1" . "CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N" . "CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N" . "VAZAPHZUAVEOMC-UHFFFAOYSA-N" . "InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)" . "ONC(=O)c1ccc(cc1)OCCNC(=O)c1oc2c(c1CN(C)C)cccc2" . "ONC(=O)c1ccc(cc1)OCCNC(=O)c1oc2c(c1CN(C)C)cccc2" . "MAUCONCHVWBMHK-UHFFFAOYSA-N" . "InChI=1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25)" . "CCCCc1nc2c(n1CCN(CC)CC)ccc(c2)C=CC(=O)NO" . "CCCCc1nc2c(n1CCN(CC)CC)ccc(c2)/C=C/C(=O)NO" . "JHDKZFFAIZKUCU-ZRDIBKRKSA-N" . "InChI=1S/C20H30N4O2/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+" . "N#CCC1(CN(C1)C1CCN(CC1)C(=O)c1ccnc(c1F)C(F)(F)F)n1ncc(c1)c1ncnc2c1cc[nH]2" . "N#CCC1(CN(C1)C1CCN(CC1)C(=O)c1ccnc(c1F)C(F)(F)F)n1ncc(c1)c1ncnc2c1cc[nH]2" . "KTBSXLIQKWEBRB-UHFFFAOYSA-N" . "InChI=1S/C26H23F4N9O/c27-20-18(1-7-32-22(20)26(28,29)30)24(40)37-9-3-17(4-10-37)38-13-25(14-38,5-6-31)39-12-16(11-36-39)21-19-2-8-33-23(19)35-15-34-21/h1-2,7-8,11-12,15,17H,3-5,9-10,13-14H2,(H,33,34,35)" . "COc1cccc(c1F)c1c(=O)n(CC(c2ccccc2)NCCCC(=O)O)c(=O)n(c1C)Cc1c(F)cccc1C(F)(F)F" . "COc1cccc(c1F)c1c(=O)n(C[C@@H](c2ccccc2)NCCCC(=O)O)c(=O)n(c1C)Cc1c(F)cccc1C(F)(F)F" . "HEAUOKZIVMZVQL-VWLOTQADSA-N" . "InChI=1S/C32H30F5N3O5/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-24(22)33/h3-7,9-14,25,38H,8,15-18H2,1-2H3,(H,41,42)/t25-/m0/s1" . "[O-][N+](=O)c1cc(ccc1I)C(=O)N" . "[O-][N+](=O)c1cc(ccc1I)C(=O)N" . "MDOJTZQKHMAPBK-UHFFFAOYSA-N" . "InChI=1S/C7H5IN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)" . "O=C(CC1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C)Nc1ccc(cc1)O" . "O=C(C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C)Nc1ccc(cc1)O" . "GNMUEVRJHCWKTO-FQEVSTJZSA-N" . "InChI=1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/m0/s1" . "OCC(C(C)C)N" . "OC[C@H](C(C)C)N" . "NWYYWIJOWOLJNR-RXMQYKEDSA-N" . "InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1" . "OCC1CCN(CC1)CCCOc1cc2ncnc(c2cc1OC)Nc1ncc(s1)CC(=O)Nc1cccc(c1)F" . "OCC1CCN(CC1)CCCOc1cc2ncnc(c2cc1OC)Nc1ncc(s1)CC(=O)Nc1cccc(c1)F" . "QNJAKUMXJFWQOG-UHFFFAOYSA-N" . "InChI=1S/C29H33FN6O4S/c1-39-25-14-23-24(15-26(25)40-11-3-8-36-9-6-19(17-37)7-10-36)32-18-33-28(23)35-29-31-16-22(41-29)13-27(38)34-21-5-2-4-20(30)12-21/h2,4-5,12,14-16,18-19,37H,3,6-11,13,17H2,1H3,(H,34,38)(H,31,32,33,35)" . "CCS(=O)(=O)Nc1ccc2c(c1)C(=C(c1ccccc1)Nc1ccc(cc1)CN1CCCCC1)C(=O)N2" . "CCS(=O)(=O)Nc1ccc2c(c1)/C(=C(/c1ccccc1)/Nc1ccc(cc1)CN1CCCCC1)/C(=O)N2" . "GLDSKRNGVVYJAB-DQSJHHFOSA-N" . "InChI=1S/C29H32N4O3S/c1-2-37(35,36)32-24-15-16-26-25(19-24)27(29(34)31-26)28(22-9-5-3-6-10-22)30-23-13-11-21(12-14-23)20-33-17-7-4-8-18-33/h3,5-6,9-16,19,30,32H,2,4,7-8,17-18,20H2,1H3,(H,31,34)/b28-27-" . "COc1cc2c(ncnc2cc1OCCCN1CCOCC1)Nc1ccc(cc1)NC(=O)c1ccccc1" . "COc1cc2c(ncnc2cc1OCCCN1CCOCC1)Nc1ccc(cc1)NC(=O)c1ccccc1" . "OGNYUTNQZVRGMN-UHFFFAOYSA-N" . "InChI=1S/C29H31N5O4/c1-36-26-18-24-25(19-27(26)38-15-5-12-34-13-16-37-17-14-34)30-20-31-28(24)32-22-8-10-23(11-9-22)33-29(35)21-6-3-2-4-7-21/h2-4,6-11,18-20H,5,12-17H2,1H3,(H,33,35)(H,30,31,32)" . "CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)OC(OC(=O)OC1CCCCC1)C" . "CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)OC(OC(=O)OC1CCCCC1)C" . "GHOSNRCGJFBJIB-UHFFFAOYSA-N" . "InChI=1S/C33H34N6O6/c1-3-42-32-34-28-15-9-14-27(31(40)43-21(2)44-33(41)45-24-10-5-4-6-11-24)29(28)39(32)20-22-16-18-23(19-17-22)25-12-7-8-13-26(25)30-35-37-38-36-30/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,35,36,37,38)" . "CCOc1ccc(cc1)Cc1cc(ccc1Cl)C1OC(SC)C(C(C1O)O)O" . "CCOc1ccc(cc1)Cc1cc(ccc1Cl)[C@@H]1O[C@H](SC)[C@H]([C@@H]([C@H]1O)O)O" . "QKDRXGFQVGOQKS-CRSSMBPESA-N" . "InChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1" . "N#Cc1ccc(cc1)C1CCCc2n1cnc2" . "N#Cc1ccc(cc1)C1CCCc2n1cnc2" . "CLPFFLWZZBQMAO-UHFFFAOYSA-N" . "InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CS)C)CCCN=C(N)N)C)CC(C)C)CO)CCCN=C(N)N)NC(=O)C(C(O)C)NC(=O)C(NC(=O)CNC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CO)N)C)CC(C)C)C)CC(=O)N)CCCCN)CS)CS)Cc1nc[nH]c1)CS" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CS)C)CCCN=C(N)N)C)CC(C)C)CO)CCCN=C(N)N)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)C)CC(C)C)C)CC(=O)N)CCCCN)CS)CS)Cc1nc[nH]c1)CS" . "JPICFXXNKSFHNE-FHWINVSDSA-N" . "InChI=1S/C87H154N32O26S4/c1-39(2)26-53(110-67(126)42(7)101-70(129)48(90)32-120)75(134)104-44(9)68(127)111-56(29-62(91)123)77(136)108-49(18-12-14-22-88)74(133)115-60(36-148)81(140)116-59(35-147)80(139)113-55(28-47-30-96-38-100-47)78(137)118-64(41(5)6)83(142)99-31-63(124)105-58(34-146)82(141)119-65(46(11)122)84(143)109-50(19-13-15-23-89)72(131)107-52(21-17-25-98-87(94)95)73(132)114-57(33-121)79(138)112-54(27-40(3)4)76(135)103-43(8)66(125)106-51(20-16-24-97-86(92)93)71(130)102-45(10)69(128)117-61(37-149)85(144)145/h30,38-46,48-61,64-65,120-122,146-149H,12-29,31-37,88-90H2,1-11H3,(H2,91,123)(H,96,100)(H,99,142)(H,101,129)(H,102,130)(H,103,135)(H,104,134)(H,105,124)(H,106,125)(H,107,131)(H,108,136)(H,109,143)(H,110,126)(H,111,127)(H,112,138)(H,113,139)(H,114,132)(H,115,133)(H,116,140)(H,117,128)(H,118,137)(H,119,141)(H,144,145)(H4,92,93,97)(H4,94,95,98)/t42-,43-,44-,45-,46+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1" . "CC(CC(C(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CCC(=O)O)N)CCC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CCC(=O)O)C " . "CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O" . "ASNYBKBWOJOFFP-CPDXTSBQSA-N" . "InChI=1S/C35H53N7O20/c1-15(2)13-22(35(61)62)42-33(59)20(7-12-27(51)52)39-31(57)18(5-10-25(47)48)40-34(60)21(14-28(53)54)41-32(58)19(6-11-26(49)50)38-30(56)17(4-9-24(45)46)37-29(55)16(36)3-8-23(43)44/h15-22H,3-14,36H2,1-2H3,(H,37,55)(H,38,56)(H,39,57)(H,40,60)(H,41,58)(H,42,59)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,61,62)/t16-,17-,18-,19-,20-,21-,22-/m0/s1" . "OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)O)CCCN=C(N)N)CC(=O)N)NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C1CCCN1C(=O)C(Cc1nc[nH]c1)NC(=O)CNC(=O)C(NC(=O)C(CO)N)CC(C)C)CCC(=O)O)CC(C)C" . "OC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)CCCN=C(N)N)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1nc[nH]c1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(C)C)CCC(=O)O)CC(C)C" . "UGSPCJRSHHDBMB-OEAGQSEASA-N" . "InChI=1S/C58H93N19O19/c1-29(2)19-35(71-47(85)32(59)26-78)48(86)65-25-45(82)69-38(21-31-23-63-28-67-31)56(94)76-17-7-10-40(76)52(90)70-34(13-14-46(83)84)55(93)75-16-6-11-41(75)53(91)73-36(20-30(3)4)50(88)74-39(27-79)51(89)72-37(22-43(60)80)49(87)66-24-44(81)68-33(9-5-15-64-58(61)62)54(92)77-18-8-12-42(77)57(95)96/h23,28-30,32-42,78-79H,5-22,24-27,59H2,1-4H3,(H2,60,80)(H,63,67)(H,65,86)(H,66,87)(H,68,81)(H,69,82)(H,70,90)(H,71,85)(H,72,89)(H,73,91)(H,74,88)(H,83,84)(H,95,96)(H4,61,62,64)/t32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1" . "COc1ccc2c(c1)c(CCN(C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1ccc(c(c1)Cl)Cl)c[nH]2" . "COc1ccc2c(c1)c(CCN(C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1ccc(c(c1)Cl)Cl)c[nH]2" . "FAXDMTURZKFXIY-UHFFFAOYSA-N" . "InChI=1S/C27H21Cl2F6N3O2/c1-40-20-3-5-24-21(12-20)16(13-36-24)6-7-38(14-15-2-4-22(28)23(29)8-15)25(39)37-19-10-17(26(30,31)32)9-18(11-19)27(33,34)35/h2-5,8-13,36H,6-7,14H2,1H3,(H,37,39)" . "CCCCc1nc(cn1c1ccc(cc1)Oc1ccc(cc1)Cl)c1ccc(cc1)OCCCN(CC)CC" . "CCCCc1nc(cn1c1ccc(cc1)Oc1ccc(cc1)Cl)c1ccc(cc1)OCCCN(CC)CC" . "KJNNWYBAOPXVJY-UHFFFAOYSA-N" . "InChI=1S/C32H38ClN3O2/c1-4-7-9-32-34-31(25-10-16-28(17-11-25)37-23-8-22-35(5-2)6-3)24-36(32)27-14-20-30(21-15-27)38-29-18-12-26(33)13-19-29/h10-21,24H,4-9,22-23H2,1-3H3" . "Fc1cccc(c1)C1=C(OC(C1=O)(C)C)c1ccc(cc1)S(=O)(=O)N" . "Fc1cccc(c1)C1=C(OC(C1=O)(C)C)c1ccc(cc1)S(=O)(=O)N" . "IJWPAFMIFNSIGD-UHFFFAOYSA-N" . "InChI=1S/C18H16FNO4S/c1-18(2)17(21)15(12-4-3-5-13(19)10-12)16(24-18)11-6-8-14(9-7-11)25(20,22)23/h3-10H,1-2H3,(H2,20,22,23)" . "SCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CS)CC(C)C)C(O)C)CC(C)C)CC(C)C)CC(=O)O)CCC(=O)N)CCC(=O)N)C(O)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CS)N)CS)CC(C)C)CO " . "CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O" . "ORZUJWXQUJEDHD-VGYPRHCQSA-N" . "InChI=1S/C63H109N17O23S4/c1-26(2)15-35(54(93)72-38(18-29(7)8)58(97)79-49(31(10)83)62(101)75-37(17-28(5)6)56(95)78-43(25-107)63(102)103)71-57(96)39(19-47(87)88)74-53(92)33(11-13-44(65)84)69-52(91)34(12-14-45(66)85)70-61(100)48(30(9)82)80-60(99)41(23-105)68-46(86)20-67-51(90)40(21-81)76-55(94)36(16-27(3)4)73-59(98)42(24-106)77-50(89)32(64)22-104/h26-43,48-49,81-83,104-107H,11-25,64H2,1-10H3,(H2,65,84)(H2,66,85)(H,67,90)(H,68,86)(H,69,91)(H,70,100)(H,71,96)(H,72,93)(H,73,98)(H,74,92)(H,75,101)(H,76,94)(H,77,89)(H,78,95)(H,79,97)(H,80,99)(H,87,88)(H,102,103)/t30-,31-,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,48+,49+/m1/s1" . "N#Cc1ccc(c(c1)F)C1CCc2n1cnc2" . "N#Cc1ccc(c(c1)F)[C@H]1CCc2n1cnc2" . "USUZGMWDZDXMDG-CYBMUJFWSA-N" . "InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1" . "CCC(C(=O)NCC(F)(F)F)(Nc1ccnc(n1)c1c[nH]c2c1cccn2)C" . "CC[C@](C(=O)NCC(F)(F)F)(Nc1ccnc(n1)c1c[nH]c2c1cccn2)C" . "ASUGUQWIHMTFJL-QGZVFWFLSA-N" . "InChI=1S/C18H19F3N6O/c1-3-17(2,16(28)25-10-18(19,20)21)27-13-6-8-23-15(26-13)12-9-24-14-11(12)5-4-7-22-14/h4-9H,3,10H2,1-2H3,(H,22,24)(H,25,28)(H,23,26,27)/t17-/m1/s1" . "SCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CS)CC(C)C)C(O)C)CC(C)C)CC(C)C)CC(=O)O)CCC(=O)N)CCC(=O)N)C(O)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)CS)CS)CC(C)C)CO" . "SC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CS)CC(C)C)[C@H](O)C)CC(C)C)CC(C)C)CC(=O)O)CCC(=O)N)CCC(=O)N)[C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)CS)CS)CC(C)C)CO" . "HHIHBEIJOBMKLZ-XYUOUADWSA-N" . "InChI=1S/C86H134N20O28S4/c1-39(2)26-52(74(121)95-55(29-42(7)8)78(125)104-69(44(10)109)84(131)98-54(28-41(5)6)76(123)103-62(38-138)85(132)106-25-11-12-63(106)82(129)99-57(86(133)134)31-46-15-19-48(111)20-16-46)94-77(124)56(32-67(115)116)97-73(120)50(21-23-64(88)112)92-72(119)51(22-24-65(89)113)93-83(130)68(43(9)108)105-81(128)59(35-135)91-66(114)33-90-71(118)58(34-107)100-75(122)53(27-40(3)4)96-79(126)61(37-137)102-80(127)60(36-136)101-70(117)49(87)30-45-13-17-47(110)18-14-45/h13-20,39-44,49-63,68-69,107-111,135-138H,11-12,21-38,87H2,1-10H3,(H2,88,112)(H2,89,113)(H,90,118)(H,91,114)(H,92,119)(H,93,130)(H,94,124)(H,95,121)(H,96,126)(H,97,120)(H,98,131)(H,99,129)(H,100,122)(H,101,117)(H,102,127)(H,103,123)(H,104,125)(H,105,128)(H,115,116)(H,133,134)/t43-,44-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,68+,69+/m1/s1" . "CCc1nc(CC)c2c(c1)N(Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)CC2" . "CCc1nc(CC)c2c(c1)N(Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)CC2" . "BFVNEYDCFJNLGN-UHFFFAOYSA-N" . "InChI=1S/C26H26N6O/c1-3-19-15-24-22(23(4-2)27-19)13-14-25(33)32(24)16-17-9-11-18(12-10-17)20-7-5-6-8-21(20)26-28-30-31-29-26/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,28,29,30,31)" . "CC(Oc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)S(=O)(=O)C(F)(F)F)C" . "CC(Oc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)S(=O)(=O)C(F)(F)F)C" . "RSYHJSDOGMSLDH-UHFFFAOYSA-N" . "InChI=1S/C24H21F3N2O5S/c1-15(2)34-21-13-6-4-11-19(21)23(31)29-20-12-5-3-10-18(20)22(30)28-16-8-7-9-17(14-16)35(32,33)24(25,26)27/h3-15H,1-2H3,(H,28,30)(H,29,31)" . "OC(CCCCCC(C(=O)O)(C)C)CCCCCC(C(=O)O)(C)C" . "OC(CCCCCC(C(=O)O)(C)C)CCCCCC(C(=O)O)(C)C" . "HYHMLYSLQUKXKP-UHFFFAOYSA-N" . "InChI=1S/C19H36O5/c1-18(2,16(21)22)13-9-5-7-11-15(20)12-8-6-10-14-19(3,4)17(23)24/h15,20H,5-14H2,1-4H3,(H,21,22)(H,23,24)" . "CN(CCC(Nc1ccc(cc1[N+](=O)[O-])S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)Cc1ccccc1c1ccc(cc1)Cl)CSc1ccccc1)C" . "CN(CC[C@@H](Nc1ccc(cc1[N+](=O)[O-])S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)Cc1ccccc1c1ccc(cc1)Cl)CSc1ccccc1)C" . "HPLNQCPCUACXLM-PGUFJCEWSA-N" . "InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1" . "Clc1ccc(cc1)C1=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(c(c2)S(=O)(=O)C(F)(F)F)NC(CSc2ccccc2)CCN2CCOCC2)CC(CC1)(C)C" . "Clc1ccc(cc1)C1=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(c(c2)S(=O)(=O)C(F)(F)F)N[C@@H](CSc2ccccc2)CCN2CCOCC2)CC(CC1)(C)C" . "JLYAXFNOILIKPP-KXQOOQHDSA-N" . "InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1" . "Clc1ccc(cc1)C1=C(CCC(C1)(C)C)CN1CCN(CC1)c1ccc(c(c1)Oc1cnc2c(c1)cc[nH]2)C(=O)NS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])NCC1CCOCC1" . "Clc1ccc(cc1)C1=C(CCC(C1)(C)C)CN1CCN(CC1)c1ccc(c(c1)Oc1cnc2c(c1)cc[nH]2)C(=O)NS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])NCC1CCOCC1" . "LQBVNQSMGBZMKD-UHFFFAOYSA-N" . "InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)" . "NC(=O)c1cnc2c(c1NC1C3CC4CC1CC(C3)(C4)O)cc[nH]2" . "NC(=O)c1cnc2c(c1NC1[C@@H]3CC4C[C@H]1CC(C3)(C4)O)cc[nH]2" . "DREIJXJRTLTGJC-JQCLMNFQSA-N" . "InChI=1S/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22)/t9?,10-,11+,14?,18?" . "CC#CCC(C(C=CC1C(O)CC2C1c1cccc(c1O2)CCCC(=O)O)O)C" . "CC#CC[C@@H]([C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1c1cccc(c1O2)CCCC(=O)O)O)C" . "CTPOHARTNNSRSR-NOQAJONNSA-N" . "InChI=1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)/b13-12+/t15-,17-,19+,20+,21-,23-/m0/s1" . "Fc1ccc(cc1)C1N=c2cc(F)cc3c2c(C1c1ncnn1C)[nH][nH]c3=O" . "Fc1ccc(cc1)[C@H]1N=c2cc(F)cc3c2c([C@@H]1c1ncnn1C)[nH][nH]c3=O" . "IUEWAGVJRJORLA-HZPDHXFCSA-N" . "InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,25H,1H3,(H,26,28)/t15-,16-/m1/s1" . "NC1CCC(c2c1cccc2)c1ccc(c(c1)Cl)Cl" . "N[C@@H]1CC[C@H](c2c1cccc2)c1ccc(c(c1)Cl)Cl" . "SRPXSILJHWNFMK-MEDUHNTESA-N" . "InChI=1S/C16H15Cl2N/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11,16H,6,8,19H2/t11-,16+/m0/s1" . "OCC1OC(OC2CC(CC(C2OC2OC(C)C(C(C2O)O)O)NC(=O)c2cc(=O)[nH]c(=O)[nH]2)C(=O)NCCNC(=O)COCCOCC(=O)Nc2cc(cc3c2c(cc(c3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(C(C1O)OC(C(=O)O)CC1CCCCC1)OC(=O)c1ccccc1" . "OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C[C@@H]([C@H]2O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@@H]2O)O)O)NC(=O)c2cc(=O)[nH]c(=O)[nH]2)C(=O)NCCNC(=O)COCCOCC(=O)Nc2cc(cc3c2c(cc(c3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)[C@@H]([C@H]([C@H]1O)O[C@H](C(=O)O)CC1CCCCC1)OC(=O)c1ccccc1" . "VXBNTHRZPJLRSS-PTCSXESPSA-N" . "InChI=1S/C58H74N6O31S3/c1-27-45(69)47(71)48(72)56(90-27)95-49-35(62-53(74)36-23-41(66)64-58(78)63-36)19-31(20-37(49)92-57-51(94-55(77)29-10-6-3-7-11-29)50(46(70)39(24-65)93-57)91-38(54(75)76)16-28-8-4-2-5-9-28)52(73)60-13-12-59-42(67)25-88-14-15-89-26-43(68)61-34-21-32(96(79,80)81)17-30-18-33(97(82,83)84)22-40(44(30)34)98(85,86)87/h3,6-7,10-11,17-18,21-23,27-28,31,35,37-39,45-51,56-57,65,69-72H,2,4-5,8-9,12-16,19-20,24-26H2,1H3,(H,59,67)(H,60,73)(H,61,68)(H,62,74)(H,75,76)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H2,63,64,66,78)/t27-,31+,35-,37+,38-,39+,45+,46-,47+,48-,49+,50-,51+,56-,57+/m0/s1" . "N#Cc1ccc(cc1)c1n(cnc1c1cnn(c1)C)CCn1nnc(c1)C" . "N#Cc1ccc(cc1)c1n(cnc1c1cnn(c1)C)CCn1nnc(c1)C" . "YPRKVQKJNRKXFN-UHFFFAOYSA-N" . "InChI=1S/C19H18N8/c1-14-11-27(24-23-14)8-7-26-13-21-18(17-10-22-25(2)12-17)19(26)16-5-3-15(9-20)4-6-16/h3-6,10-13H,7-8H2,1-2H3" . "O=C(C=Cc1cccnc1)NCc1ccc(cc1)C(=O)Nc1cc(F)ccc1N" . "O=C(C=Cc1cccnc1)NCc1ccc(cc1)C(=O)Nc1cc(F)ccc1N" . "WXHHICFWKXDFOW-UHFFFAOYSA-N" . "InChI=1S/C22H19FN4O2/c23-18-8-9-19(24)20(12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)" . "COc1ccc(cc1c1nc(N)nc2c1[nH]cn2)Br" . "COc1ccc(cc1c1nc(N)nc2c1[nH]cn2)Br" . "KDNVOUMYSICLPF-UHFFFAOYSA-N" . "InChI=1S/C12H10BrN5O/c1-19-8-3-2-6(13)4-7(8)9-10-11(16-5-15-10)18-12(14)17-9/h2-5H,1H3,(H3,14,15,16,17,18)" . "CCC1=CC2C(C1)CC2(CN)CC(=O)O" . "CCC1=C[C@@H]2[C@H](C1)C[C@]2(CN)CC(=O)O" . "FTBQORVNHOIASH-CKYFFXLPSA-N" . "InChI=1S/C12H19NO2/c1-2-8-3-9-5-12(7-13,6-11(14)15)10(9)4-8/h4,9-10H,2-3,5-7,13H2,1H3,(H,14,15)/t9-,10-,12-/m1/s1" . "NCc1c2ccccc2n(c1c1ccc(cc1Cl)Cl)S(=O)(=O)C" . "NCc1c2ccccc2n(c1c1ccc(cc1Cl)Cl)S(=O)(=O)C" . "MTMKFBZYRGNPDF-UHFFFAOYSA-N" . "InChI=1S/C16H14Cl2N2O2S/c1-23(21,22)20-15-5-3-2-4-11(15)13(9-19)16(20)12-7-6-10(17)8-14(12)18/h2-8H,9,19H2,1H3" . "N#CCOc1ccc2c(c1)c(NC(=O)N1C3CC3CC1C(=O)NCc1cccc(c1F)Cl)cn2C(=O)N" . "N#CCOc1ccc2c(c1)c(NC(=O)N1[C@@H]3C[C@@H]3C[C@H]1C(=O)NCc1cccc(c1F)Cl)cn2C(=O)N" . "SOCAXRLFGRNEPK-IFZYUDKTSA-N" . "InChI=1S/C25H22ClFN6O4/c26-17-3-1-2-13(22(17)27)11-30-23(34)21-9-14-8-20(14)33(21)25(36)31-18-12-32(24(29)35)19-5-4-15(10-16(18)19)37-7-6-28/h1-5,10,12,14,20-21H,7-9,11H2,(H2,29,35)(H,30,34)(H,31,36)/t14-,20-,21+/m1/s1" . "Cn1ncc(c1)c1c[nH]c2c1c(ncn2)N1CCOCC1" . "Cn1ncc(c1)c1c[nH]c2c1c(ncn2)N1CCOCC1" . "VNWKCLDQBNSJJO-UHFFFAOYSA-N" . "InChI=1S/C14H16N6O/c1-19-8-10(6-18-19)11-7-15-13-12(11)14(17-9-16-13)20-2-4-21-5-3-20/h6-9H,2-5H2,1H3,(H,15,16,17)" . "N#Cc1cccc(c1)c1ccc(=O)n(n1)Cc1cccc(c1)c1ncc(cn1)OCC1CCN(CC1)C" . "N#Cc1cccc(c1)c1ccc(=O)n(n1)Cc1cccc(c1)c1ncc(cn1)OCC1CCN(CC1)C" . "AHYMHWXQRWRBKT-UHFFFAOYSA-N" . "InChI=1S/C29H28N6O2/c1-34-12-10-21(11-13-34)20-37-26-17-31-29(32-18-26)25-7-3-5-23(15-25)19-35-28(36)9-8-27(33-35)24-6-2-4-22(14-24)16-30/h2-9,14-15,17-18,21H,10-13,19-20H2,1H3" . "COc1cc2c(ccnc2cc1OCCCN1CCOCC1)Oc1ccc(cc1F)c1cnc(n(c1=O)C)Cc1ccccc1" . "COc1cc2c(ccnc2cc1OCCCN1CCOCC1)Oc1ccc(cc1F)c1cnc(n(c1=O)C)Cc1ccccc1" . "PEGWVOKOYYAQEV-UHFFFAOYSA-N" . "InChI=1S/C35H35FN4O5/c1-39-34(19-24-7-4-3-5-8-24)38-23-27(35(39)41)25-9-10-31(28(36)20-25)45-30-11-12-37-29-22-33(32(42-2)21-26(29)30)44-16-6-13-40-14-17-43-18-15-40/h3-5,7-12,20-23H,6,13-19H2,1-2H3" . "NC(=O)C(NCc1ccc(cc1)OCc1cccc(c1)F)C" . "NC(=O)[C@@H](NCc1ccc(cc1)OCc1cccc(c1)F)C" . "NEMGRZFTLSKBAP-LBPRGKRZSA-N" . "InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1" . "CN1CCN(CC1)c1ccc(c(c1)NC1CCOCC1)C(=O)Nc1n[nH]c2c1cc(cc2)Cc1cc(F)cc(c1)F" . "CN1CCN(CC1)c1ccc(c(c1)NC1CCOCC1)C(=O)Nc1n[nH]c2c1cc(cc2)Cc1cc(F)cc(c1)F" . "HAYYBYPASCDWEQ-UHFFFAOYSA-N" . "InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)" . "CC(=O)NCCN(c1cccc(c1)OCCCCc1ccccc1)C" . "CC(=O)NCCN(c1cccc(c1)OCCCCc1ccccc1)C" . "VJIVACBGAAEDPS-UHFFFAOYSA-N" . "InChI=1S/C21H28N2O2/c1-18(24)22-14-15-23(2)20-12-8-13-21(17-20)25-16-7-6-11-19-9-4-3-5-10-19/h3-5,8-10,12-13,17H,6-7,11,14-16H2,1-2H3,(H,22,24)" . "CCn1c2ccc(cc2c2c1cccc2)CNCc1cccnc1" . "CCn1c2ccc(cc2c2c1cccc2)CNCc1cccnc1" . "GAVUWQFIRGBDHN-UHFFFAOYSA-N" . "InChI=1S/C21H21N3/c1-2-24-20-8-4-3-7-18(20)19-12-16(9-10-21(19)24)13-23-15-17-6-5-11-22-14-17/h3-12,14,23H,2,13,15H2,1H3" . "OC(CN1CCc2c(C1)cccc2)CNC(=O)c1ncnc(c1)NC1COC1" . "O[C@H](CN1CCc2c(C1)cccc2)CNC(=O)c1ncnc(c1)NC1COC1" . "ZKXZLIFRWWKZRY-KRWDZBQOSA-N" . "InChI=1S/C20H25N5O3/c26-17(10-25-6-5-14-3-1-2-4-15(14)9-25)8-21-20(27)18-7-19(23-13-22-18)24-16-11-28-12-16/h1-4,7,13,16-17,26H,5-6,8-12H2,(H,21,27)(H,22,23,24)/t17-/m0/s1" . "COc1cccc(c1)C1(O)CCCCC1CN(C)C" . "COc1cccc(c1)C1(O)CCCCC1CN(C)C" . "TVYLLZQTGLZFBW-UHFFFAOYSA-N" . "InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3" . "CN1CCc2c3C1Cc1ccc(c(c1c3ccc2)O)O" . "CN1CCc2c3[C@@H]1Cc1ccc(c(c1c3ccc2)O)O" . "VMWNQDUVQKEIOC-ZDUSSCGKSA-N" . "InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m0/s1" . "OC(=O)C1CC(=C(F)F)C(C1)N" . "OC(=O)[C@H]1CC(=C(F)F)[C@H](C1)N" . "CBSRETZPFOBWNG-UCORVYFPSA-N" . "InChI=1S/C7H9F2NO2/c8-6(9)4-1-3(7(11)12)2-5(4)10/h3,5H,1-2,10H2,(H,11,12)/t3-,5-/m0/s1" . "CCOc1nc(nc2c1[nH]c1c2ccc(c1)c1ccncc1)N1CCNCC1" . "CCOc1nc(nc2c1[nH]c1c2ccc(c1)c1ccncc1)N1CCNCC1" . "HFGHRUCCKVYFKL-UHFFFAOYSA-N" . "InChI=1S/C21H22N6O/c1-2-28-20-19-18(25-21(26-20)27-11-9-23-10-12-27)16-4-3-15(13-17(16)24-19)14-5-7-22-8-6-14/h3-8,13,23-24H,2,9-12H2,1H3" . "CCCCCCCC(=O)CCC1C(O)CC(C1CC=CCCCC(=O)OC(C)C)O" . "CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C/CCCC(=O)OC(C)C)O" . "XXUPXHKCPIKWLR-JHUOEJJVSA-N" . "InChI=1S/C25H44O5/c1-4-5-6-7-10-13-20(26)16-17-22-21(23(27)18-24(22)28)14-11-8-9-12-15-25(29)30-19(2)3/h8,11,19,21-24,27-28H,4-7,9-10,12-18H2,1-3H3/b11-8-/t21-,22-,23+,24-/m1/s1" . "OC(C(COS(=O)(=O)C)O)COS(=O)(=O)C" . "OC(C(COS(=O)(=O)C)O)COS(=O)(=O)C" . "YCPOZVAOBBQLRI-UHFFFAOYSA-N" . "InChI=1S/C6H14O8S2/c1-15(9,10)13-3-5(7)6(8)4-14-16(2,11)12/h5-8H,3-4H2,1-2H3" . "CCC(n1c(=O)[nH]c2c1nc(C#C)cn2)CC" . "CCC(n1c(=O)[nH]c2c1nc(C#C)cn2)CC" . "RSQGZEAXODVTOL-UHFFFAOYSA-N" . "InChI=1S/C12H14N4O/c1-4-8-7-13-10-11(14-8)16(12(17)15-10)9(5-2)6-3/h1,7,9H,5-6H2,2-3H3,(H,13,15,17)" . "Nc1ccc(cc1)C1=NN(C(=O)C)C(Cc2c1cc1OCOc1c2)C" . "Nc1ccc(cc1)C1=NN(C(=O)C)[C@@H](Cc2c1cc1OCOc1c2)C" . "JACAAXNEHGBPOQ-LLVKDONJSA-N" . "InChI=1S/C19H19N3O3/c1-11-7-14-8-17-18(25-10-24-17)9-16(14)19(21-22(11)12(2)23)13-3-5-15(20)6-4-13/h3-6,8-9,11H,7,10,20H2,1-2H3/t11-/m1/s1" . "C#CCN(c1ccc(c(c1)F)C(=O)NC(C(=O)O)CCc1n[nH]nn1)Cc1cc2c(=O)nc([nH]c2cc1C)C" . "C#CCN(c1ccc(c(c1)F)C(=O)N[C@H](C(=O)O)CCc1n[nH]nn1)Cc1cc2c(=O)nc([nH]c2cc1C)C" . "IEJSCSAMMLUINT-NRFANRHFSA-N" . "InChI=1S/C26H25FN8O4/c1-4-9-35(13-16-11-19-22(10-14(16)2)28-15(3)29-25(19)37)17-5-6-18(20(27)12-17)24(36)30-21(26(38)39)7-8-23-31-33-34-32-23/h1,5-6,10-12,21H,7-9,13H2,2-3H3,(H,30,36)(H,38,39)(H,28,29,37)(H,31,32,33,34)/t21-/m0/s1" . "OC(=O)c1ccc(cc1)C=Cc1cc2c(cc1Cn1cccn1)C(C)(C)CCC2(C)C" . "OC(=O)c1ccc(cc1)/C=C/c1cc2c(cc1Cn1cccn1)C(C)(C)CCC2(C)C" . "YTFHCXIPDIHOIA-DHZHZOJOSA-N" . "InChI=1S/C27H30N2O2/c1-26(2)12-13-27(3,4)24-17-22(18-29-15-5-14-28-29)21(16-23(24)26)11-8-19-6-9-20(10-7-19)25(30)31/h5-11,14-17H,12-13,18H2,1-4H3,(H,30,31)/b11-8+" . "NC(=O)c1cccc2c1nn(c2)c1ccc(cc1)C1CCCNC1" . "NC(=O)c1cccc2c1nn(c2)c1ccc(cc1)[C@@H]1CCCNC1" . "PCHKPVIQAHNQLW-CQSZACIVSA-N" . "InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1" . "CCCCCCCCCCCCCCCC(=O)OC(COP(=O)(OCCNC(=O)C(NC(=O)CCC(C(=O)N)NC(=O)C(NC(=O)C(OC1C(NC(=O)C)C(O)OC(C1O)CO)C)C)C)O)COC(=O)CCCCCCCCCCCCCCC" . "CCCCCCCCCCCCCCCC(=O)OC(COP(=O)(OCCNC(=O)[C@@H](NC(=O)CC[C@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](O[C@@H]1[C@@H](NC(=O)C)[C@H](O)O[C@@H](C1O)CO)C)C)C)O)COC(=O)CCCCCCCCCCCCCCC" . "JMUHBNWAORSSBD-ZXSMYVEWSA-N" . "InChI=1S/C59H109N6O19P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-50(69)79-40-46(83-51(70)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)41-81-85(77,78)80-38-37-61-56(73)42(3)62-49(68)36-35-47(55(60)72)65-57(74)43(4)63-58(75)44(5)82-54-52(64-45(6)67)59(76)84-48(39-66)53(54)71/h42-44,46-48,52-54,59,66,71,76H,7-41H2,1-6H3,(H2,60,72)(H,61,73)(H,62,68)(H,63,75)(H,64,67)(H,65,74)(H,77,78)/t42-,43-,44+,46?,47+,48+,52+,53?,54+,59+/m0/s1" . "NC1=NC(=O)N2C1C2" . "NC1=NC(=O)N2C1C2" . "BIXBBIPTYBJTRY-UHFFFAOYSA-N" . "InChI=1S/C4H5N3O/c5-3-2-1-7(2)4(8)6-3/h2H,1H2,(H2,5,6,8)" . "OCC1NC(C(C1O)O)c1c[nH]c2c1[nH]cnc2=O" . "OC[C@H]1N[C@H]([C@@H]([C@@H]1O)O)c1c[nH]c2c1[nH]cnc2=O" . "IWKXDMQDITUYRK-KUBHLMPHSA-N" . "InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1" . "OC(CN1CCCCC1)CON=C(c1ccc[n+](c1)[O-])Cl" . "O[C@H](CN1CCCCC1)CO/N=C(/c1ccc[n+](c1)[O-])/Cl" . "SGEIEGAXKLMUIZ-XUVDNFPMSA-N" . "InChI=1S/C14H20ClN3O3/c15-14(12-5-4-8-18(20)9-12)16-21-11-13(19)10-17-6-2-1-3-7-17/h4-5,8-9,13,19H,1-3,6-7,10-11H2/b16-14-/t13-/m1/s1" . "OC(=O)C(Cc1cn(c2c1cccc2)C)N" . "OC(=O)[C@H](Cc1cn(c2c1cccc2)C)N" . "ZADWXFSZEAPBJS-JTQLQIEISA-N" . "InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1" . "OC(=O)CCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C(C)C)C(O)C)C(C)C)CC(=O)N)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)N)CC(C)C)CCC(=O)N " . "CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)C(C)C" . "WOACUGNMTZAEJZ-GXLXRQKGSA-N" . "InChI=1S/C45H79N11O15/c1-19(2)16-27(40(65)52-29(18-31(47)59)41(66)54-34(22(7)8)43(68)56-36(24(11)57)44(69)55-35(23(9)10)45(70)71)51-38(63)26(13-15-32(60)61)49-37(62)25(12-14-30(46)58)50-39(64)28(17-20(3)4)53-42(67)33(48)21(5)6/h19-29,33-36,57H,12-18,48H2,1-11H3,(H2,46,58)(H2,47,59)(H,49,62)(H,50,64)(H,51,63)(H,52,65)(H,53,67)(H,54,66)(H,55,69)(H,56,68)(H,60,61)(H,70,71)/t24-,25+,26+,27+,28+,29+,33+,34+,35+,36+/m1/s1" . "OC(=O)CCC(c1ccccc1)Oc1cc(ccc1C(=O)C)OCc1cccc2c1OCO2" . "OC(=O)CCC(c1ccccc1)Oc1cc(ccc1C(=O)C)OCc1cccc2c1OCO2" . "PQYQQIZSHUQNNZ-UHFFFAOYSA-N" . "InChI=1S/C26H24O7/c1-17(27)21-11-10-20(30-15-19-8-5-9-23-26(19)32-16-31-23)14-24(21)33-22(12-13-25(28)29)18-6-3-2-4-7-18/h2-11,14,22H,12-13,15-16H2,1H3,(H,28,29)" . "OCCOC1c2cc3ccccc3nc2c2n1c(=O)c1c(c2)CC(C(=O)O1)(O)CC" . "OCCO[C@H]1c2cc3ccccc3nc2c2n1c(=O)c1c(c2)C[C@@](C(=O)O1)(O)CC" . "UPAYPYZHFCRCMO-UNMCSNQZSA-N" . "InChI=1S/C22H20N2O6/c1-2-22(28)11-13-10-16-17-14(9-12-5-3-4-6-15(12)23-17)20(29-8-7-25)24(16)19(26)18(13)30-21(22)27/h3-6,9-10,20,25,28H,2,7-8,11H2,1H3/t20-,22-/m0/s1" . "COc1nc(nc(c1Oc1ccccc1OC)NS(=O)(=O)c1ccc(cn1)C)c1ccncc1" . "COc1nc(nc(c1Oc1ccccc1OC)NS(=O)(=O)c1ccc(cn1)C)c1ccncc1" . "YBWLTKFZAOSWSM-UHFFFAOYSA-N" . "InChI=1S/C23H21N5O5S/c1-15-8-9-19(25-14-15)34(29,30)28-22-20(33-18-7-5-4-6-17(18)31-2)23(32-3)27-21(26-22)16-10-12-24-13-11-16/h4-14H,1-3H3,(H,26,27,28)" . "ONC(=O)C1(CCC2(C1)CCNCC2)S(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)NC" . "ONC(=O)[C@]1(CCC2(C1)CCNCC2)S(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)NC" . "ZUZGJCNWNOCKEB-XMMPIXPASA-N" . "InChI=1S/C24H29N3O6S/c1-25-21(28)17-2-4-18(5-3-17)33-19-6-8-20(9-7-19)34(31,32)24(22(29)27-30)11-10-23(16-24)12-14-26-15-13-23/h2-9,26,30H,10-16H2,1H3,(H,25,28)(H,27,29)/t24-/m1/s1" . "OC(=O)C1CCCN1C(=O)CCCCC(=O)N1CCCC1C(=O)O" . "OC(=O)[C@H]1CCCN1C(=O)CCCCC(=O)N1CCC[C@@H]1C(=O)O" . "HZLAWYIBLZNRFZ-VXGBXAGGSA-N" . "InChI=1S/C16H24N2O6/c19-13(17-9-3-5-11(17)15(21)22)7-1-2-8-14(20)18-10-4-6-12(18)16(23)24/h11-12H,1-10H2,(H,21,22)(H,23,24)/t11-,12-/m1/s1" . "CNC(=O)c1nccc(c1)Oc1ccc2c(c1)sc(n2)NC1CCCCC1O" . "CNC(=O)c1nccc(c1)Oc1ccc2c(c1)sc(n2)N[C@@H]1CCCC[C@H]1O" . "ADZBMFGQQWPHMJ-RHSMWYFYSA-N" . "InChI=1S/C20H22N4O3S/c1-21-19(26)16-10-13(8-9-22-16)27-12-6-7-15-18(11-12)28-20(24-15)23-14-4-2-3-5-17(14)25/h6-11,14,17,25H,2-5H2,1H3,(H,21,26)(H,23,24)/t14-,17-/m1/s1" . "CCOC(=O)Nc1cc(nn2c1nnc2C)c1ccc(c(c1)NS(=O)(=O)C)C" . "CCOC(=O)Nc1cc(nn2c1nnc2C)c1ccc(c(c1)NS(=O)(=O)C)C" . "UYBRROMMFMPJAN-UHFFFAOYSA-N" . "InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)" . "OCc1c(cccc1n1ccc2c(c1=O)c(F)cc(c2)C1CC1)c1cc(Nc2ccc(cn2)N2CCN(CC2)C)c(=O)n(c1)C" . "OCc1c(cccc1n1ccc2c(c1=O)c(F)cc(c2)C1CC1)c1cc(Nc2ccc(cn2)N2CCN(CC2)C)c(=O)n(c1)C" . "ZTUJNJAKTLHBEX-UHFFFAOYSA-N" . "InChI=1S/C35H35FN6O3/c1-39-12-14-41(15-13-39)26-8-9-32(37-19-26)38-30-18-25(20-40(2)34(30)44)27-4-3-5-31(28(27)21-43)42-11-10-23-16-24(22-6-7-22)17-29(36)33(23)35(42)45/h3-5,8-11,16-20,22,43H,6-7,12-15,21H2,1-2H3,(H,37,38)" . "Cn1cc(nc1C1CCN(CC1)c1ncnc2c1cn[nH]2)c1ccc(c(c1)C(F)(F)F)F" . "Cn1cc(nc1C1CCN(CC1)c1ncnc2c1cn[nH]2)c1ccc(c(c1)C(F)(F)F)F" . "FYXRSVDHGLUMHB-UHFFFAOYSA-N" . "InChI=1S/C21H19F4N7/c1-31-10-17(13-2-3-16(22)15(8-13)21(23,24)25)29-19(31)12-4-6-32(7-5-12)20-14-9-28-30-18(14)26-11-27-20/h2-3,8-12H,4-7H2,1H3,(H,26,27,28,30)" . "CCOc1cn(nc1C(=O)Nc1ccc(c(c1)F)Oc1ccnc2c1cc(OC)c(c2)OC)c1ccc(cc1C)F" . "CCOc1cn(nc1C(=O)Nc1ccc(c(c1)F)Oc1ccnc2c1cc(OC)c(c2)OC)c1ccc(cc1C)F" . "ISPBCAXOSOLFME-UHFFFAOYSA-N" . "InChI=1S/C30H26F2N4O5/c1-5-40-28-16-36(23-8-6-18(31)12-17(23)2)35-29(28)30(37)34-19-7-9-25(21(32)13-19)41-24-10-11-33-22-15-27(39-4)26(38-3)14-20(22)24/h6-16H,5H2,1-4H3,(H,34,37)" . "Clc1ccc(c(c1)c1nc(Nc2ccncc2)c2c(n1)nccn2)F" . "Clc1ccc(c(c1)c1nc(Nc2ccncc2)c2c(n1)nccn2)F" . "BERLXWPRSBJFHO-UHFFFAOYSA-N" . "InChI=1S/C17H10ClFN6/c18-10-1-2-13(19)12(9-10)15-24-16-14(21-7-8-22-16)17(25-15)23-11-3-5-20-6-4-11/h1-9H,(H,20,22,23,24,25)" . "COc1cc2c(ncnc2cc1OC)Nc1ccc(cc1F)Cl" . "COc1cc2c(ncnc2cc1OC)Nc1ccc(cc1F)Cl" . "YHUIUSRCUKUUQA-UHFFFAOYSA-N" . "InChI=1S/C16H13ClFN3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-12-4-3-9(17)5-11(12)18/h3-8H,1-2H3,(H,19,20,21)" . "Cc1cc(C(Nc2ccccc2)C)c2n(c1)c(=O)cc(n2)N1CCOCC1" . "Cc1cc(C(Nc2ccccc2)C)c2n(c1)c(=O)cc(n2)N1CCOCC1" . "CPRAGQJXBLMUEL-UHFFFAOYSA-N" . "InChI=1S/C21H24N4O2/c1-15-12-18(16(2)22-17-6-4-3-5-7-17)21-23-19(13-20(26)25(21)14-15)24-8-10-27-11-9-24/h3-7,12-14,16,22H,8-11H2,1-2H3" . "CCOC(=O)c1cnc2n1cc(cc2)c1cncc(c1)NS(=O)(=O)c1ccccc1" . "CCOC(=O)c1cnc2n1cc(cc2)c1cncc(c1)NS(=O)(=O)c1ccccc1" . "SEKOTFCHZNXZMM-UHFFFAOYSA-N" . "InChI=1S/C21H18N4O4S/c1-2-29-21(26)19-13-23-20-9-8-15(14-25(19)20)16-10-17(12-22-11-16)24-30(27,28)18-6-4-3-5-7-18/h3-14,24H,2H2,1H3" . "Fc1ccc2c(c1c1nc3cc(sc3c(n1)N1CCOCC1)CN1CCN(CC1)CC1CC1)cc[nH]2" . "Fc1ccc2c(c1c1nc3cc(sc3c(n1)N1CCOCC1)CN1CCN(CC1)CC1CC1)cc[nH]2" . "YDNOHCOYQVZOMC-UHFFFAOYSA-N" . "InChI=1S/C27H31FN6OS/c28-21-3-4-22-20(5-6-29-22)24(21)26-30-23-15-19(17-33-9-7-32(8-10-33)16-18-1-2-18)36-25(23)27(31-26)34-11-13-35-14-12-34/h3-6,15,18,29H,1-2,7-14,16-17H2" . "N1CCC(CC1)NC1CC1c1ccccc1" . "N1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1" . "BASFYRLYJAZPPL-UONOGXRCSA-N" . "InChI=1S/C14H20N2/c1-2-4-11(5-3-1)13-10-14(13)16-12-6-8-15-9-7-12/h1-5,12-16H,6-10H2/t13-,14+/m0/s1" . "CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2c1cnn2C(C)C)c1ccnc(c1)N1CCN(CC1)C" . "CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2c1cnn2C(C)C)c1ccnc(c1)N1CCN(CC1)C" . "ULNXAWLQFZMIHX-UHFFFAOYSA-N" . "InChI=1S/C31H39N7O2/c1-6-7-23-14-21(4)35-31(40)26(23)18-33-30(39)25-15-24(16-28-27(25)19-34-38(28)20(2)3)22-8-9-32-29(17-22)37-12-10-36(5)11-13-37/h8-9,14-17,19-20H,6-7,10-13,18H2,1-5H3,(H,33,39)(H,35,40)" . "N#Cc1cc(cc(c1)c1ccccc1N1CCN(CC1)CCn1cc(c2c1cccc2)C)C(=O)NCCCN1CCCC1" . "N#Cc1cc(cc(c1)c1ccccc1N1CCN(CC1)CCn1cc(c2c1cccc2)C)C(=O)NCCCN1CCCC1" . "PNYRDVBFYVDJJI-UHFFFAOYSA-N" . "InChI=1S/C36H42N6O/c1-28-27-42(34-11-4-2-9-32(28)34)22-19-40-17-20-41(21-18-40)35-12-5-3-10-33(35)30-23-29(26-37)24-31(25-30)36(43)38-13-8-16-39-14-6-7-15-39/h2-5,9-12,23-25,27H,6-8,13-22H2,1H3,(H,38,43)" . "COc1cc2c(cc1OCCCN1CCCC1)N=C(C12CCC1)N" . "COc1cc2c(cc1OCCCN1CCCC1)N=C(C12CCC1)N" . "BKCDJTRMYWSXMC-UHFFFAOYSA-N" . "InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)" . "CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2c1cnn2C(C)C)c1ccc(nc1)N1CCN(CC1)C(C)C" . "CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2c1cnn2C(C)C)c1ccc(nc1)N1CCN(CC1)C(C)C" . "DPJNKUOXBZSZAI-UHFFFAOYSA-N" . "InChI=1S/C33H43N7O2/c1-7-8-24-15-23(6)37-33(42)28(24)19-35-32(41)27-16-26(17-30-29(27)20-36-40(30)22(4)5)25-9-10-31(34-18-25)39-13-11-38(12-14-39)21(2)3/h9-10,15-18,20-22H,7-8,11-14,19H2,1-6H3,(H,35,41)(H,37,42)" . "CCC(=O)N1CCOc2c(C1)cc(cc2OCC1CCCN(C1)C)c1ccc(c(c1)OC)OC" . "CCC(=O)N1CCOc2c(C1)cc(cc2OC[C@H]1CCCN(C1)C)c1ccc(c(c1)OC)OC" . "YKNAKDFZAWQEEO-IBGZPJMESA-N" . "InChI=1S/C27H36N2O5/c1-5-26(30)29-11-12-33-27-22(17-29)13-21(20-8-9-23(31-3)24(14-20)32-4)15-25(27)34-18-19-7-6-10-28(2)16-19/h8-9,13-15,19H,5-7,10-12,16-18H2,1-4H3/t19-/m0/s1" . "O=C(C(NS(=O)(=O)c1cc(F)c2c(c1)CCNC2)Cc1cccc(c1)C(F)(F)F)N1CCCC1" . "O=C([C@H](NS(=O)(=O)c1cc(F)c2c(c1)CCNC2)Cc1cccc(c1)C(F)(F)F)N1CCCC1" . "JCKGSPAAPQRPBW-OAQYLSRUSA-N" . "InChI=1S/C23H25F4N3O3S/c24-20-13-18(12-16-6-7-28-14-19(16)20)34(32,33)29-21(22(31)30-8-1-2-9-30)11-15-4-3-5-17(10-15)23(25,26)27/h3-5,10,12-13,21,28-29H,1-2,6-9,11,14H2/t21-/m1/s1" . "CCCOc1ccn2c(c1)c(cc2C(=O)C)c1ccccc1S(=O)(=O)C" . "CCCOc1ccn2c(c1)c(cc2C(=O)C)c1ccccc1S(=O)(=O)C" . "KHWCPNJRJCNVRI-UHFFFAOYSA-N" . "InChI=1S/C20H21NO4S/c1-4-11-25-15-9-10-21-18(14(2)22)13-17(19(21)12-15)16-7-5-6-8-20(16)26(3,23)24/h5-10,12-13H,4,11H2,1-3H3" . "O=C(c1ccc(c(c1)Nc1ccccc1)C(=O)N1CCC(CC1)N1CCCC1)N1CCC(CC1)N1CCCC1" . "O=C(c1ccc(c(c1)Nc1ccccc1)C(=O)N1CCC(CC1)N1CCCC1)N1CCC(CC1)N1CCCC1" . "PQOOIERVZAXHBP-UHFFFAOYSA-N" . "InChI=1S/C32H43N5O2/c38-31(36-20-12-27(13-21-36)34-16-4-5-17-34)25-10-11-29(30(24-25)33-26-8-2-1-3-9-26)32(39)37-22-14-28(15-23-37)35-18-6-7-19-35/h1-3,8-11,24,27-28,33H,4-7,12-23H2" . "CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)c1cccc(c1)CN1CCOCC1" . "CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)c1cccc(c1)CN1CCOCC1" . "DJOVLOYCGXNVPI-UHFFFAOYSA-N" . "InChI=1S/C29H32F3N5O3/c1-35-7-9-37(10-8-35)26-6-5-22(21-4-2-3-20(15-21)19-36-11-13-40-14-12-36)16-25(26)34-28(39)23-18-33-27(38)17-24(23)29(30,31)32/h2-6,15-18H,7-14,19H2,1H3,(H,33,38)(H,34,39)" . "OC(=O)c1ccc(c2c1cccn2)O" . "OC(=O)c1ccc(c2c1cccn2)O" . "JGRPKOGHYBAVMW-UHFFFAOYSA-N" . "InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)" . "OC(=O)CNC(=O)c1c(O)c2ccccc2n(c1=O)Cc1ccccc1" . "OC(=O)CNC(=O)c1c(O)c2ccccc2n(c1=O)Cc1ccccc1" . "CAOSCCRYLYQBES-UHFFFAOYSA-N" . "InChI=1S/C19H16N2O5/c22-15(23)10-20-18(25)16-17(24)13-8-4-5-9-14(13)21(19(16)26)11-12-6-2-1-3-7-12/h1-9,24H,10-11H2,(H,20,25)(H,22,23)" . "O=C(Nc1ccc2c(c1)OCO2)CSc1nnc2n1c(cs2)c1ccc(cc1)C" . "O=C(Nc1ccc2c(c1)OCO2)CSc1nnc2n1c(cs2)c1ccc(cc1)C" . "XYXNYQAJSYUYNZ-UHFFFAOYSA-N" . "InChI=1S/C20H16N4O3S2/c1-12-2-4-13(5-3-12)15-9-28-19-22-23-20(24(15)19)29-10-18(25)21-14-6-7-16-17(8-14)27-11-26-16/h2-9H,10-11H2,1H3,(H,21,25)" . "OC(=O)C(Cc1cn(c2c1cccc2)C)N" . "OC(=O)[C@@H](Cc1cn(c2c1cccc2)C)N" . "ZADWXFSZEAPBJS-SNVBAGLBSA-N" . "InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m1/s1" . "O=NC(=c1[nH]onc1NCCNS(=O)(=O)N)Nc1ccc(c(c1)Br)F" . "O=N/C(=c/1/[nH]onc1NCCNS(=O)(=O)N)/Nc1ccc(c(c1)Br)F" . "YPBKTZBXSBLTDK-PKNBQFBNSA-N" . "InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16-17,19H,3-4H2,(H,15,20)(H2,14,22,23)/b11-9+" . "CCN1C(=O)CCCc2c1ccc(c2OC)Nc1ncc(c(n1)NC1C2C=CC(C1C(=O)N)C2)Cl" . "CCN1C(=O)CCCc2c1ccc(c2OC)Nc1ncc(c(n1)N[C@@H]1[C@H]2C=C[C@@H]([C@@H]1C(=O)N)C2)Cl" . "GLGNXYJARSMNGJ-VKTIVEEGSA-N" . "InChI=1S/C25H29ClN6O3/c1-3-32-18-10-9-17(22(35-2)15(18)5-4-6-19(32)33)29-25-28-12-16(26)24(31-25)30-21-14-8-7-13(11-14)20(21)23(27)34/h7-10,12-14,20-21H,3-6,11H2,1-2H3,(H2,27,34)(H2,28,29,30,31)/t13-,14+,20+,21-/m1/s1" . "Clc1ccc(c(c1)Cl)c1nc(sc1C(=O)N)c1ccnc(n1)N" . "Clc1ccc(c(c1)Cl)c1nc(sc1C(=O)N)c1ccnc(n1)N" . "CQNCHLJHIGRPDA-UHFFFAOYSA-N" . "InChI=1S/C14H9Cl2N5OS/c15-6-1-2-7(8(16)5-6)10-11(12(17)22)23-13(21-10)9-3-4-19-14(18)20-9/h1-5H,(H2,17,22)(H2,18,19,20)" . "COc1ccc(c(c1)Cl)c1nc(sc1C(=O)N)c1ccnc(n1)N" . "COc1ccc(c(c1)Cl)c1nc(sc1C(=O)N)c1ccnc(n1)N" . "VCUXVXLUOHDHKK-UHFFFAOYSA-N" . "InChI=1S/C15H12ClN5O2S/c1-23-7-2-3-8(9(16)6-7)11-12(13(17)22)24-14(21-11)10-4-5-19-15(18)20-10/h2-6H,1H3,(H2,17,22)(H2,18,19,20)" . "NC(=O)c1ccc(cc1)c1[nH]c(c(n1)c1ccccn1)c1ccc2c(c1)OCO2" . "NC(=O)c1ccc(cc1)c1[nH]c(c(n1)c1ccccn1)c1ccc2c(c1)OCO2" . "FHYUGAJXYORMHI-UHFFFAOYSA-N" . "InChI=1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26)" . "N#Cc1ncc(nc1OC(CN(C)C)C)Nc1ncc(c(c1)OC)c1cnn(c1)C" . "N#Cc1ncc(nc1O[C@@H](CN(C)C)C)Nc1ncc(c(c1)OC)c1cnn(c1)C" . "IENLGMOXAQMNEH-CYBMUJFWSA-N" . "InChI=1S/C20H24N8O2/c1-13(11-27(2)3)30-20-16(7-21)22-10-19(26-20)25-18-6-17(29-5)15(9-23-18)14-8-24-28(4)12-14/h6,8-10,12-13H,11H2,1-5H3,(H,23,25,26)/t13-/m1/s1" . "CCOC(=O)c1c(C(=CN)C#N)c2c(n1C)c(Cl)c(cc2)Cl" . "CCOC(=O)c1c(/C(=C/N)/C#N)c2c(n1C)c(Cl)c(cc2)Cl" . "CXJCGSPAPOTTSF-VURMDHGXSA-N" . "InChI=1S/C15H13Cl2N3O2/c1-3-22-15(21)14-11(8(6-18)7-19)9-4-5-10(16)12(17)13(9)20(14)2/h4-6H,3,18H2,1-2H3/b8-6-" . "Clc1ccccc1Nc1nc2c(cccc2c2c1ccnc2)c1[nH]cnn1" . "Clc1ccccc1Nc1nc2c(cccc2c2c1ccnc2)c1[nH]cnn1" . "WNOHFJIMKSDPHP-UHFFFAOYSA-N" . "InChI=1S/C20H13ClN6/c21-16-6-1-2-7-17(16)25-20-13-8-9-22-10-15(13)12-4-3-5-14(18(12)26-20)19-23-11-24-27-19/h1-11H,(H,25,26)(H,23,24,27)" . "CNC(=O)c1cccc(c1Nc1nc(ncc1Cl)Nc1ccc2c(c1)NC(=O)C(CC2(C)C)NC(=O)N1CCCC1)F" . "CNC(=O)c1cccc(c1Nc1nc(ncc1Cl)Nc1ccc2c(c1)NC(=O)[C@@H](CC2(C)C)NC(=O)N1CCCC1)F" . "HGSNUBHWAMMKIR-JOCHJYFZSA-N" . "InChI=1S/C29H32ClFN8O3/c1-29(2)14-22(36-28(42)39-11-4-5-12-39)26(41)35-21-13-16(9-10-18(21)29)34-27-33-15-19(30)24(38-27)37-23-17(25(40)32-3)7-6-8-20(23)31/h6-10,13,15,22H,4-5,11-12,14H2,1-3H3,(H,32,40)(H,35,41)(H,36,42)(H2,33,34,37,38)/t22-/m1/s1" . "COc1n[nH]c2c1cc(cn2)NC(=O)c1c(F)ccc(c1F)NS(=O)(=O)c1cccc(c1)F" . "COc1n[nH]c2c1cc(cn2)NC(=O)c1c(F)ccc(c1F)NS(=O)(=O)c1cccc(c1)F" . "WGFNXGPBPIJYLI-UHFFFAOYSA-N" . "InChI=1S/C20H14F3N5O4S/c1-32-20-13-8-11(9-24-18(13)26-27-20)25-19(29)16-14(22)5-6-15(17(16)23)28-33(30,31)12-4-2-3-10(21)7-12/h2-9,28H,1H3,(H,25,29)(H,24,26,27)" . "O=C(c1ccccc1)Cc1ccc2c(c1)[nH]c(c2)c1n[nH]c2c1nccc2" . "O=C(c1ccccc1)Cc1ccc2c(c1)[nH]c(c2)c1n[nH]c2c1nccc2" . "CDVMXMZPDJHSCC-UHFFFAOYSA-N" . "InChI=1S/C22H16N4O/c27-20(15-5-2-1-3-6-15)12-14-8-9-16-13-19(24-18(16)11-14)22-21-17(25-26-22)7-4-10-23-21/h1-11,13,24H,12H2,(H,25,26)" . "CNC(=O)c1cccc(c1Nc1nc(ncc1Cl)Nc1ccc2c(c1)N(CC)C(=O)CCC2(C)C)F" . "CNC(=O)c1cccc(c1Nc1nc(ncc1Cl)Nc1ccc2c(c1)N(CC)C(=O)CCC2(C)C)F" . "KHBUKOVUBUJCGM-UHFFFAOYSA-N" . "InChI=1S/C26H28ClFN6O2/c1-5-34-20-13-15(9-10-17(20)26(2,3)12-11-21(34)35)31-25-30-14-18(27)23(33-25)32-22-16(24(36)29-4)7-6-8-19(22)28/h6-10,13-14H,5,11-12H2,1-4H3,(H,29,36)(H2,30,31,32,33)" . "COc1ccc2c(c1)CC(NC2)C(=O)Nc1ccc(cc1OCC1CCN(CC1)C)c1c[nH]nc1" . "COc1ccc2c(c1)C[C@@H](NC2)C(=O)Nc1ccc(cc1OCC1CCN(CC1)C)c1c[nH]nc1" . "GFWDPXHTWJXOEI-RUZDIDTESA-N" . "InChI=1S/C27H33N5O3/c1-32-9-7-18(8-10-32)17-35-26-13-19(22-15-29-30-16-22)4-6-24(26)31-27(33)25-12-21-11-23(34-2)5-3-20(21)14-28-25/h3-6,11,13,15-16,18,25,28H,7-10,12,14,17H2,1-2H3,(H,29,30)(H,31,33)/t25-/m1/s1" . "Clc1ccc(c(c1)CN1CCNc2c1cc(cn2)c1ccnc(c1)N1CCNCC1)C(F)(F)F" . "Clc1ccc(c(c1)CN1CCNc2c1cc(cn2)c1ccnc(c1)N1CCNCC1)C(F)(F)F" . "AHZCYZMNFBGXAC-UHFFFAOYSA-N" . "InChI=1S/C24H24ClF3N6/c25-19-1-2-20(24(26,27)28)18(11-19)15-34-10-7-31-23-21(34)12-17(14-32-23)16-3-4-30-22(13-16)33-8-5-29-6-9-33/h1-4,11-14,29H,5-10,15H2,(H,31,32)" . "CN1CCN(CC1)c1ccc(cn1)c1cnc2c(c1)N(CCN2)Cc1cc(Cl)ccc1Cl" . "CN1CCN(CC1)c1ccc(cn1)c1cnc2c(c1)N(CCN2)Cc1cc(Cl)ccc1Cl" . "CSYSNPSPLOLFFI-UHFFFAOYSA-N" . "InChI=1S/C24H26Cl2N6/c1-30-8-10-31(11-9-30)23-5-2-17(14-28-23)18-13-22-24(29-15-18)27-6-7-32(22)16-19-12-20(25)3-4-21(19)26/h2-5,12-15H,6-11,16H2,1H3,(H,27,29)" . "Clc1ccc(c(c1)CN1CCNc2c1cc(cn2)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1)C(F)(F)F" . "Clc1ccc(c(c1)CN1CCNc2c1cc(cn2)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1)C(F)(F)F" . "JVVGHVJDZJSKRA-UHFFFAOYSA-N" . "InChI=1S/C31H33ClF3N5O/c32-25-7-8-27(31(33,34)35)24(17-25)20-40-16-11-36-29-28(40)18-23(19-37-29)21-3-5-22(6-4-21)30(41)39-14-9-26(10-15-39)38-12-1-2-13-38/h3-8,17-19,26H,1-2,9-16,20H2,(H,36,37)" . "O=C(C(c1ccccc1)NC1CC1)Nc1cc2cc[nH]c(=O)c2cc1Cl" . "O=C(C(c1ccccc1)NC1CC1)Nc1cc2cc[nH]c(=O)c2cc1Cl" . "SKYALJGMRAGHEN-UHFFFAOYSA-N" . "InChI=1S/C20H18ClN3O2/c21-16-11-15-13(8-9-22-19(15)25)10-17(16)24-20(26)18(23-14-6-7-14)12-4-2-1-3-5-12/h1-5,8-11,14,18,23H,6-7H2,(H,22,25)(H,24,26)" . "NC(Cc1c[nH]c2c1cccc2)COc1cncc(c1)c1ccc2c(c1)c(C)n[nH]2" . "N[C@@H](Cc1c[nH]c2c1cccc2)COc1cncc(c1)c1ccc2c(c1)c(C)n[nH]2" . "YWTBGJGMTBHQTM-IBGZPJMESA-N" . "InChI=1S/C24H23N5O/c1-15-22-10-16(6-7-24(22)29-28-15)17-9-20(13-26-11-17)30-14-19(25)8-18-12-27-23-5-3-2-4-21(18)23/h2-7,9-13,19,27H,8,14,25H2,1H3,(H,28,29)/t19-/m0/s1" . "Cc1cnc(nc1NCc1ccc(cc1)n1nncc1)c1ccccc1C(C)C" . "Cc1cnc(nc1NCc1ccc(cc1)n1nncc1)c1ccccc1C(C)C" . "VUIRVWPJNKZOSS-UHFFFAOYSA-N" . "InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)" . "CN1CCN(CC1)c1ccc(cc1)Nc1nc(c(s1)C(=O)c1ccc2c(c1)OCCO2)N" . "CN1CCN(CC1)c1ccc(cc1)Nc1nc(c(s1)C(=O)c1ccc2c(c1)OCCO2)N" . "YGEYFDLYGXSZCP-UHFFFAOYSA-N" . "InChI=1S/C23H25N5O3S/c1-27-8-10-28(11-9-27)17-5-3-16(4-6-17)25-23-26-22(24)21(32-23)20(29)15-2-7-18-19(14-15)31-13-12-30-18/h2-7,14H,8-13,24H2,1H3,(H,25,26)" . "CNCc1ccc(c(c1)NC(=O)c1ccc(cc1)Nc1nc2ccccc2c(n1)c1ccccc1)C" . "CNCc1ccc(c(c1)NC(=O)c1ccc(cc1)Nc1nc2ccccc2c(n1)c1ccccc1)C" . "KLRRGBHZCJLIEL-UHFFFAOYSA-N" . "InChI=1S/C30H27N5O/c1-20-12-13-21(19-31-2)18-27(20)33-29(36)23-14-16-24(17-15-23)32-30-34-26-11-7-6-10-25(26)28(35-30)22-8-4-3-5-9-22/h3-18,31H,19H2,1-2H3,(H,33,36)(H,32,34,35)" . "COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O" . "COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O" . "AQNDDEOPVVGCPG-UHFFFAOYSA-N" . "InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3" . "N#Cc1ccc(cc1)NC(=O)NC1CCN(C(C1)c1nc2c([nH]1)cccc2)C" . "N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C" . "SFNSLLSYNZWZQG-VQIMIIECSA-N" . "InChI=1S/C21H22N6O/c1-27-11-10-16(24-21(28)23-15-8-6-14(13-22)7-9-15)12-19(27)20-25-17-4-2-3-5-18(17)26-20/h2-9,16,19H,10-12H2,1H3,(H,25,26)(H2,23,24,28)/t16-,19-/m1/s1" . "OCC(=O)N1CCC(CC1)NC(=O)c1c(OCC(F)(F)F)c2c(n1C)cc(n(c2=O)CC(=O)c1ccccc1)CC" . "OCC(=O)N1CCC(CC1)NC(=O)c1c(OCC(F)(F)F)c2c(n1C)cc(n(c2=O)CC(=O)c1ccccc1)CC" . "ZADWXQMNNVICKB-UHFFFAOYSA-N" . "InChI=1S/C28H31F3N4O6/c1-3-19-13-20-23(27(40)35(19)14-21(37)17-7-5-4-6-8-17)25(41-16-28(29,30)31)24(33(20)2)26(39)32-18-9-11-34(12-10-18)22(38)15-36/h4-8,13,18,36H,3,9-12,14-16H2,1-2H3,(H,32,39)" . "CC1OC(C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F" . "C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F" . "VZZJRYRQSPEMTK-CALCHBBNSA-N" . "InChI=1S/C26H26F3N3O3/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29/h4-13,16-17H,14-15H2,1-3H3,(H,31,33)/t16-,17+" . "CC1CNC2C(C1)OC1(C2C)CCC2C(=C(C1)C)CC1C2CCC2C1(C)CCC(C2)NS(=O)(=O)C" . "C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@@]1([C@@H]2C)CC[C@@H]2C(=C(C1)C)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)NS(=O)(=O)C" . "HZLFFNCLTRVYJG-WWGOJCOQSA-N" . "InChI=1S/C29H48N2O3S/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29/h17,19-23,25-27,30-31H,6-16H2,1-5H3/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-/m0/s1" . "OCCCOc1cc(ccc1NC(=O)C1COc2c(C1)cc(cc2)OC)c1c[nH]nc1" . "OCCCOc1cc(ccc1NC(=O)[C@@H]1COc2c(C1)cc(cc2)OC)c1c[nH]nc1" . "YHIPVWFQESXDIE-KRWDZBQOSA-N" . "InChI=1S/C23H25N3O5/c1-29-19-4-6-21-16(10-19)9-17(14-31-21)23(28)26-20-5-3-15(18-12-24-25-13-18)11-22(20)30-8-2-7-27/h3-6,10-13,17,27H,2,7-9,14H2,1H3,(H,24,25)(H,26,28)/t17-/m0/s1" . "O=C(C1CCC1)NCCCNc1nc(ncc1C1CC1)Nc1ccc(cc1)N1CCOCC1" . "O=C(C1CCC1)NCCCNc1nc(ncc1C1CC1)Nc1ccc(cc1)N1CCOCC1" . "CJPMSUUANYLPET-UHFFFAOYSA-N" . "InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)" . "COc1cc(cc(c1OC)OC)c1cnc2c(c1)c(c[nH]2)c1ccc2c(c1)cc[nH]2" . "COc1cc(cc(c1OC)OC)c1cnc2c(c1)c(c[nH]2)c1ccc2c(c1)cc[nH]2" . "UQHKXSZPEUNUDH-UHFFFAOYSA-N" . "InChI=1S/C24H21N3O3/c1-28-21-10-16(11-22(29-2)23(21)30-3)17-9-18-19(13-27-24(18)26-12-17)14-4-5-20-15(8-14)6-7-25-20/h4-13,25H,1-3H3,(H,26,27)" . "OCCCn1cnc2c1cc(cc2)c1c2CCCn2nc1c1ccccn1" . "OCCCn1cnc2c1cc(cc2)c1c2CCCn2nc1c1ccccn1" . "SYCWRTUPLPDKDX-UHFFFAOYSA-N" . "InChI=1S/C21H21N5O/c27-12-4-10-25-14-23-16-8-7-15(13-19(16)25)20-18-6-3-11-26(18)24-21(20)17-5-1-2-9-22-17/h1-2,5,7-9,13-14,27H,3-4,6,10-12H2" . "c1ccc(cc1)c1c(oc2c1c(NCCc1ccccc1)ncn2)c1ccc(cc1)OCCN1CCCC1" . "c1ccc(cc1)c1c(oc2c1c(NCCc1ccccc1)ncn2)c1ccc(cc1)OCCN1CCCC1" . "CYXPHNZJEDAZDD-UHFFFAOYSA-N" . "InChI=1S/C32H32N4O2/c1-3-9-24(10-4-1)17-18-33-31-29-28(25-11-5-2-6-12-25)30(38-32(29)35-23-34-31)26-13-15-27(16-14-26)37-22-21-36-19-7-8-20-36/h1-6,9-16,23H,7-8,17-22H2,(H,33,34,35)" . "COc1cc(ccc1N1CCN(CC1)C)Nc1nccc(c1)c1cc(C#N)ccc1OC" . "COc1cc(ccc1N1CCN(CC1)C)Nc1nccc(c1)c1cc(C#N)ccc1OC" . "GOMSKBLQVUFHHS-UHFFFAOYSA-N" . "InChI=1S/C25H27N5O2/c1-29-10-12-30(13-11-29)22-6-5-20(16-24(22)32-3)28-25-15-19(8-9-27-25)21-14-18(17-26)4-7-23(21)31-2/h4-9,14-16H,10-13H2,1-3H3,(H,27,28)" . "Nc1nccc(n1)c1[nH]c(c(c1)C(=O)N)c1ccccc1" . "Nc1nccc(n1)c1[nH]c(c(c1)C(=O)N)c1ccccc1" . "VOQXQYXTZZHYBF-UHFFFAOYSA-N" . "InChI=1S/C15H13N5O/c16-14(21)10-8-12(11-6-7-18-15(17)20-11)19-13(10)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)(H2,17,18,20)" . "COc1cc(ccc1N1CCN(CC1)C)Nc1ccc2c(n1)n(nc2)c1ccc(cc1)OC" . "COc1cc(ccc1N1CCN(CC1)C)Nc1ccc2c(n1)n(nc2)c1ccc(cc1)OC" . "LZQFMCFJCXQTTG-UHFFFAOYSA-N" . "InChI=1S/C25H28N6O2/c1-29-12-14-30(15-13-29)22-10-5-19(16-23(22)33-3)27-24-11-4-18-17-26-31(25(18)28-24)20-6-8-21(32-2)9-7-20/h4-11,16-17H,12-15H2,1-3H3,(H,27,28)" . "CN1CCN(CC1)c1ccc(cc1)c1cnc2n(c1)ncc2c1ccnc2c1cccc2" . "CN1CCN(CC1)c1ccc(cc1)c1cnc2n(c1)ncc2c1ccnc2c1cccc2" . "XBGWAKUQSRNWMA-UHFFFAOYSA-N" . "InChI=1S/C26H24N6/c1-30-12-14-31(15-13-30)21-8-6-19(7-9-21)20-16-28-26-24(17-29-32(26)18-20)22-10-11-27-25-5-3-2-4-23(22)25/h2-11,16-18H,12-15H2,1H3" . "CC(Cn1c2ccc(cc2c2c1c1CCc3c(c1c1c2CNC1=O)cn(n3)C)Nc1ncccn1)C" . "CC(Cn1c2ccc(cc2c2c1c1CCc3c(c1c1c2CNC1=O)cn(n3)C)Nc1ncccn1)C" . "AEULIVPVIDOLIN-UHFFFAOYSA-N" . "InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)" . "OC(=O)c1ccc2c(c1)cc1c(c2)nc(c(n1)c1cccs1)c1cccs1" . "OC(=O)c1ccc2c(c1)cc1c(c2)nc(c(n1)c1cccs1)c1cccs1" . "GXGUVSXXUOACEX-UHFFFAOYSA-N" . "InChI=1S/C21H12N2O2S2/c24-21(25)13-6-5-12-10-15-16(11-14(12)9-13)23-20(18-4-2-8-27-18)19(22-15)17-3-1-7-26-17/h1-11H,(H,24,25)" . "O=C(Nc1cc(ccc1F)C(F)(F)F)Nc1cccc(c1)c1c[nH]c2c1cc(cn2)c1cccc(c1)N" . "O=C(Nc1cc(ccc1F)C(F)(F)F)Nc1cccc(c1)c1c[nH]c2c1cc(cn2)c1cccc(c1)N" . "QQTPMHCXBYRWFQ-UHFFFAOYSA-N" . "InChI=1S/C27H19F4N5O/c28-23-8-7-18(27(29,30)31)12-24(23)36-26(37)35-20-6-2-4-16(10-20)22-14-34-25-21(22)11-17(13-33-25)15-3-1-5-19(32)9-15/h1-14H,32H2,(H,33,34)(H2,35,36,37)" . "Clc1cc(ccc1C(=O)N1CCNCC1(C)C)Nc1nc(cn2c1ncc2c1c[nH]nc1)C1CC1" . "Clc1cc(ccc1C(=O)N1CCNCC1(C)C)Nc1nc(cn2c1ncc2c1c[nH]nc1)C1CC1" . "MEQKJTZVPMNRIL-UHFFFAOYSA-N" . "InChI=1S/C25H27ClN8O/c1-25(2)14-27-7-8-34(25)24(35)18-6-5-17(9-19(18)26)31-22-23-28-12-21(16-10-29-30-11-16)33(23)13-20(32-22)15-3-4-15/h5-6,9-13,15,27H,3-4,7-8,14H2,1-2H3,(H,29,30)(H,31,32)" . "COc1cc(ccc1O)c1ccc2c(c1)[nH]nc2c1nc2c([nH]1)cccc2N1CCN(CC1)C" . "COc1cc(ccc1O)c1ccc2c(c1)[nH]nc2c1nc2c([nH]1)cccc2N1CCN(CC1)C" . "KKMLIJHOUUKCSW-UHFFFAOYSA-N" . "InChI=1S/C26H26N6O2/c1-31-10-12-32(13-11-31)21-5-3-4-19-25(21)28-26(27-19)24-18-8-6-16(14-20(18)29-30-24)17-7-9-22(33)23(15-17)34-2/h3-9,14-15,33H,10-13H2,1-2H3,(H,27,28)(H,29,30)" . "O=C(C1CNCC1c1ccc(cc1)Cl)Nc1cc2cc[nH]c(=O)c2cc1Cl" . "O=C([C@@H]1CNC[C@H]1c1ccc(cc1)Cl)Nc1cc2cc[nH]c(=O)c2cc1Cl" . "XBFAFSAUQFDEOK-JKSUJKDBSA-N" . "InChI=1S/C20H17Cl2N3O2/c21-13-3-1-11(2-4-13)15-9-23-10-16(15)20(27)25-18-7-12-5-6-24-19(26)14(12)8-17(18)22/h1-8,15-16,23H,9-10H2,(H,24,26)(H,25,27)/t15-,16+/m0/s1" . "CCN(CCOc1ccc(cc1)Nc1ncc2c(n1)n(C)c(=O)c(c2)c1c(Cl)cccc1Cl)CC" . "CCN(CCOc1ccc(cc1)Nc1ncc2c(n1)n(C)c(=O)c(c2)c1c(Cl)cccc1Cl)CC" . "IFPPYSWJNWHOLQ-UHFFFAOYSA-N" . "InChI=1S/C26H27Cl2N5O2/c1-4-33(5-2)13-14-35-19-11-9-18(10-12-19)30-26-29-16-17-15-20(25(34)32(3)24(17)31-26)23-21(27)7-6-8-22(23)28/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,29,30,31)" . "O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2" . "O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2" . "PPRRDFIXUUSXRA-UHFFFAOYSA-N" . "InChI=1S/C20H21F3N4O/c21-20(22,23)15-4-3-5-16(14-15)26-11-8-25(9-12-26)10-13-27-18-7-2-1-6-17(18)24-19(27)28/h1-7,14H,8-13H2,(H,24,28)" . "NC(Cc1c[nH]c2c1cccc2)COc1cnc(c(c1)c1ccc2c(c1)c(C)[nH]n2)c1cocc1" . "N[C@@H](Cc1c[nH]c2c1cccc2)COc1cnc(c(c1)c1ccc2c(c1)c(C)[nH]n2)c1cocc1" . "XONRTPBYDAFIRW-NRFANRHFSA-N" . "InChI=1S/C28H25N5O2/c1-17-24-11-18(6-7-27(24)33-32-17)25-12-22(14-31-28(25)19-8-9-34-15-19)35-16-21(29)10-20-13-30-26-5-3-2-4-23(20)26/h2-9,11-15,21,30H,10,16,29H2,1H3,(H,32,33)/t21-/m0/s1" . "COc1cc(cc(c1OC)OC)c1cnc(c(n1)N1CCC(C(C1C)C)C(=O)O)N" . "COc1cc(cc(c1OC)OC)c1cnc(c(n1)N1CC[C@H]([C@H]([C@H]1C)C)C(=O)O)N" . "YPKLAWUGDWZBMV-OUCADQQQSA-N" . "InChI=1S/C21H28N4O5/c1-11-12(2)25(7-6-14(11)21(26)27)20-19(22)23-10-15(24-20)13-8-16(28-3)18(30-5)17(9-13)29-4/h8-12,14H,6-7H2,1-5H3,(H2,22,23)(H,26,27)/t11-,12+,14+/m0/s1" . "OCCSc1ccccc1c1nnc2n1cc(cc2)Sc1ccccc1CNC(=O)Nc1cc(nn1c1ccc(c(c1)Cl)O)C(C)(C)C" . "OCCSc1ccccc1c1nnc2n1cc(cc2)Sc1ccccc1CNC(=O)Nc1cc(nn1c1ccc(c(c1)Cl)O)C(C)(C)C" . "VGEXRDWWPSGZDH-UHFFFAOYSA-N" . "InChI=1S/C35H34ClN7O3S2/c1-35(2,3)30-19-32(43(41-30)23-12-14-27(45)26(36)18-23)38-34(46)37-20-22-8-4-6-10-28(22)48-24-13-15-31-39-40-33(42(31)21-24)25-9-5-7-11-29(25)47-17-16-44/h4-15,18-19,21,44-45H,16-17,20H2,1-3H3,(H2,37,38,46)" . "O=c1[nH]cnc2c1cc([nH]2)c1ccnc(c1)C=Cc1ccc(cc1)CN1CCOCC1" . "O=c1[nH]cnc2c1cc([nH]2)c1ccnc(c1)/C=C/c1ccc(cc1)CN1CCOCC1" . "AWZFCQRICMFIES-AATRIKPKSA-N" . "InChI=1S/C24H23N5O2/c30-24-21-14-22(28-23(21)26-16-27-24)19-7-8-25-20(13-19)6-5-17-1-3-18(4-2-17)15-29-9-11-31-12-10-29/h1-8,13-14,16H,9-12,15H2,(H2,26,27,28,30)/b6-5+" . "O=C1NCCc2c1cc([nH]2)c1ccnc(c1)c1cnc2c(c1)cccc2" . "O=C1NCCc2c1cc([nH]2)c1ccnc(c1)c1cnc2c(c1)cccc2" . "OWFLADWRSCINST-UHFFFAOYSA-N" . "InChI=1S/C21H16N4O/c26-21-16-11-20(25-18(16)6-8-23-21)14-5-7-22-19(10-14)15-9-13-3-1-2-4-17(13)24-12-15/h1-5,7,9-12,25H,6,8H2,(H,23,26)" . "OCC(C(CO)O)Nc1cc(NCc2ccccc2)n2c(n1)c(cn2)C(C)C" . "OC[C@@H]([C@@H](CO)O)Nc1cc(NCc2ccccc2)n2c(n1)c(cn2)C(C)C" . "KRIWIRSMQRQYJG-DLBZAZTESA-N" . "InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1" . "NC(=O)c1ccc2c(c1)n(C)c(=O)n2C" . "NC(=O)c1ccc2c(c1)n(C)c(=O)n2C" . "BRBLVCVSNVSPMT-UHFFFAOYSA-N" . "InChI=1S/C10H11N3O2/c1-12-7-4-3-6(9(11)14)5-8(7)13(2)10(12)15/h3-5H,1-2H3,(H2,11,14)" . "CCN1CCC(CC1)Nc1ccc2c(c1)C(=C(c1ncc[nH]1)c1ccc(cc1)Cl)C(=O)N2" . "CCN1CCC(CC1)Nc1ccc2c(c1)C(=C(c1ncc[nH]1)c1ccc(cc1)Cl)C(=O)N2" . "XHCPCYVQXFHJAU-UHFFFAOYSA-N" . "InChI=1S/C25H26ClN5O/c1-2-31-13-9-18(10-14-31)29-19-7-8-21-20(15-19)23(25(32)30-21)22(24-27-11-12-28-24)16-3-5-17(26)6-4-16/h3-8,11-12,15,18,29H,2,9-10,13-14H2,1H3,(H,27,28)(H,30,32)" . "COCCOc1cnc(nc1c1c[nH]c2c1cc(C#CC(O)(C)C)cc2)N" . "COCCOc1cnc(nc1c1c[nH]c2c1cc(C#CC(O)(C)C)cc2)N" . "ZZIZLABGKZWVAW-UHFFFAOYSA-N" . "InChI=1S/C20H22N4O3/c1-20(2,25)7-6-13-4-5-16-14(10-13)15(11-22-16)18-17(27-9-8-26-3)12-23-19(21)24-18/h4-5,10-12,22,25H,8-9H2,1-3H3,(H2,21,23,24)" . "CCSCc1ccc2c(c1)c1c3C(=O)NCc3c3c4c1n2C1CC(C(O1)(n4c1c3cc(cc1)CSCC)C)(O)C(=O)OC" . "CCSCc1ccc2c(c1)c1c3C(=O)NCc3c3c4c1n2[C@H]1C[C@]([C@](O1)(n4c1c3cc(cc1)CSCC)C)(O)C(=O)OC" . "SCMLRESZJCKCTC-KMYQRJGFSA-N" . "InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24-,32+,33+/m1/s1" . "CCC(c1ccc2c(c1)[nH]c(c2)c1n[nH]c2c1sc(c2)C(F)F)(CC)O" . "CCC(c1ccc2c(c1)[nH]c(c2)c1n[nH]c2c1sc(c2)C(F)F)(CC)O" . "CQZZZUNOWZUNNG-UHFFFAOYSA-N" . "InChI=1S/C19H19F2N3OS/c1-3-19(25,4-2)11-6-5-10-7-13(22-12(10)8-11)16-17-14(23-24-16)9-15(26-17)18(20)21/h5-9,18,22,25H,3-4H2,1-2H3,(H,23,24)" . "N#Cc1cnn2c1nc(cc2NC1CC1)c1c[nH]c2c1cc(cc2)NC(=O)C" . "N#Cc1cnn2c1nc(cc2NC1CC1)c1c[nH]c2c1cc(cc2)NC(=O)C" . "UZZGMJZTCZOSGC-UHFFFAOYSA-N" . "InChI=1S/C20H17N7O/c1-11(28)24-14-4-5-17-15(6-14)16(10-22-17)18-7-19(25-13-2-3-13)27-20(26-18)12(8-21)9-23-27/h4-7,9-10,13,22,25H,2-3H2,1H3,(H,24,28)" . "OCCN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)C#Cc1cnc(n1C)C(=O)NC)C" . "OCCN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)C#Cc1cnc(n1C)C(=O)NC)C" . "SUXYGJZMCWKJJI-UHFFFAOYSA-N" . "InChI=1S/C30H33F3N6O3/c1-20-4-5-22(16-21(20)7-9-25-18-35-27(37(25)3)29(42)34-2)28(41)36-24-8-6-23(26(17-24)30(31,32)33)19-39-12-10-38(11-13-39)14-15-40/h4-6,8,16-18,40H,10-15,19H2,1-3H3,(H,34,42)(H,36,41)" . "OCCOC(c1ccc(cc1)n1nnc2c1cnc(n2)Nc1ccn(n1)CC)(C)C" . "OCCOC(c1ccc(cc1)n1nnc2c1cnc(n2)Nc1ccn(n1)CC)(C)C" . "XNAMZBCMLZQBIC-UHFFFAOYSA-N" . "InChI=1S/C20H24N8O2/c1-4-27-10-9-17(25-27)22-19-21-13-16-18(23-19)24-26-28(16)15-7-5-14(6-8-15)20(2,3)30-12-11-29/h5-10,13,29H,4,11-12H2,1-3H3,(H,21,22,23,25)" . "COc1cc2c3[nH]nc(c3C(=O)c2cc1OC)NCc1c(Cl)cccc1Cl" . "COc1cc2c3[nH]nc(c3C(=O)c2cc1OC)NCc1c(Cl)cccc1Cl" . "UUDNGLPFGYJJQX-UHFFFAOYSA-N" . "InChI=1S/C19H15Cl2N3O3/c1-26-14-6-9-10(7-15(14)27-2)18(25)16-17(9)23-24-19(16)22-8-11-12(20)4-3-5-13(11)21/h3-7H,8H2,1-2H3,(H2,22,23,24)" . "O=C1NC(=NC1=Cc1ccc2c(c1)OCO2)Nc1ccccc1" . "O=C1NC(=N/C/1=C/c1ccc2c(c1)OCO2)Nc1ccccc1" . "PGPHHJBZEGSUNE-JYRVWZFOSA-N" . "InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21)/b13-8-" . "COC(=N)c1nc2c(s1)c1c(ncnc1cc2)Nc1ccc(cc1)Cl" . "COC(=N)c1nc2c(s1)c1c(ncnc1cc2)Nc1ccc(cc1)Cl" . "BGXZIBSLBRKDTP-UHFFFAOYSA-N" . "InChI=1S/C17H12ClN5OS/c1-24-15(19)17-23-12-7-6-11-13(14(12)25-17)16(21-8-20-11)22-10-4-2-9(18)3-5-10/h2-8,19H,1H3,(H,20,21,22)" . "COC(=N)c1nc2c(s1)c1c(ncnc1cc2)Nc1ccc(cc1F)Br" . "COC(=N)c1nc2c(s1)c1c(ncnc1cc2)Nc1ccc(cc1F)Br" . "ZBELDPMWYXDLNY-UHFFFAOYSA-N" . "InChI=1S/C17H11BrFN5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)" . "Clc1cccc(c1)NC(=O)c1ccc(c(c1)C#Cc1cnc2n(c1)ncc2)C" . "Clc1cccc(c1)NC(=O)c1ccc(c(c1)C#Cc1cnc2n(c1)ncc2)C" . "PSBGROLQRNSAMY-UHFFFAOYSA-N" . "InChI=1S/C22H15ClN4O/c1-15-5-7-18(22(28)26-20-4-2-3-19(23)12-20)11-17(15)8-6-16-13-24-21-9-10-25-27(21)14-16/h2-5,7,9-14H,1H3,(H,26,28)" . "Oc1cccc(c1)C(C(=O)N)NC1=C(C(=O)C1=O)Nc1ccncc1" . "Oc1cccc(c1)C(C(=O)N)NC1=C(C(=O)C1=O)Nc1ccncc1" . "GPXKVULNYYNGDP-UHFFFAOYSA-N" . "InChI=1S/C17H14N4O4/c18-17(25)12(9-2-1-3-11(22)8-9)21-14-13(15(23)16(14)24)20-10-4-6-19-7-5-10/h1-8,12,21-22H,(H2,18,25)(H,19,20)" . "Clc1cc(CNc2ncncc2c2ccc3c(c2)OCO3)cc(c1)Cl" . "Clc1cc(CNc2ncncc2c2ccc3c(c2)OCO3)cc(c1)Cl" . "JQSJAVBMIMDUFO-UHFFFAOYSA-N" . "InChI=1S/C18H13Cl2N3O2/c19-13-3-11(4-14(20)6-13)7-22-18-15(8-21-9-23-18)12-1-2-16-17(5-12)25-10-24-16/h1-6,8-9H,7,10H2,(H,21,22,23)" . "Clc1cc(CNc2nccc(n2)c2ccc3c(c2)OCO3)cc(c1)Cl" . "Clc1cc(CNc2nccc(n2)c2ccc3c(c2)OCO3)cc(c1)Cl" . "FFJGYBJUQCZAAY-UHFFFAOYSA-N" . "InChI=1S/C18H13Cl2N3O2/c19-13-5-11(6-14(20)8-13)9-22-18-21-4-3-15(23-18)12-1-2-16-17(7-12)25-10-24-16/h1-8H,9-10H2,(H,21,22,23)" . "CNC(=O)c1ccc(cc1F)Nc1nccc(n1)c1cnc(n1C(C)C)C" . "CNC(=O)c1ccc(cc1F)Nc1nccc(n1)c1cnc(n1C(C)C)C" . "OCUYCOQPRGFQEV-UHFFFAOYSA-N" . "InChI=1S/C19H21FN6O/c1-11(2)26-12(3)23-10-17(26)16-7-8-22-19(25-16)24-13-5-6-14(15(20)9-13)18(27)21-4/h5-11H,1-4H3,(H,21,27)(H,22,24,25)" . "CC1OC(C)CN(C1)C(c1nsc(c1)Nc1nc(C)cn2c1ncc2c1c[nH]nc1)C" . "C[C@@H]1O[C@H](C)CN(C1)[C@@H](c1nsc(c1)Nc1nc(C)cn2c1ncc2c1c[nH]nc1)C" . "QBWKPGNFQQJGFY-QLFBSQMISA-N" . "InChI=1S/C21H26N8OS/c1-12-9-29-18(16-6-23-24-7-16)8-22-21(29)20(25-12)26-19-5-17(27-31-19)15(4)28-10-13(2)30-14(3)11-28/h5-9,13-15H,10-11H2,1-4H3,(H,23,24)(H,25,26)/t13-,14+,15-/m1/s1" . "NCCc1cn(c2c1cccc2)C1=C(C(=O)NC1=O)c1c[nH]c2c1cc(Cl)cc2" . "NCCc1cn(c2c1cccc2)C1=C(C(=O)NC1=O)c1c[nH]c2c1cc(Cl)cc2" . "UPHCEKNUUNYTFE-UHFFFAOYSA-N" . "InChI=1S/C22H17ClN4O2/c23-13-5-6-17-15(9-13)16(10-25-17)19-20(22(29)26-21(19)28)27-11-12(7-8-24)14-3-1-2-4-18(14)27/h1-6,9-11,25H,7-8,24H2,(H,26,28,29)" . "Clc1cccc(c1)Nc1nccc(n1)c1cccc(c1)N1CCNCC1" . "Clc1cccc(c1)Nc1nccc(n1)c1cccc(c1)N1CCNCC1" . "UGXVRWRXHWTSCU-UHFFFAOYSA-N" . "InChI=1S/C20H20ClN5/c21-16-4-2-5-17(14-16)24-20-23-8-7-19(25-20)15-3-1-6-18(13-15)26-11-9-22-10-12-26/h1-8,13-14,22H,9-12H2,(H,23,24,25)" . "N#CC1c2c3ccc(c(c3n(c2C(=O)NC21CCNCC2)C)Cl)Cl" . "N#CC1c2c3ccc(c(c3n(c2C(=O)NC21CCNCC2)C)Cl)Cl" . "OWAWOKKHZNRHGV-UHFFFAOYSA-N" . "InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)" . "O1CCN(CC1)c1ccc(cc1)c1cnc2n(c1)ncc2c1cn[nH]c1" . "O1CCN(CC1)c1ccc(cc1)c1cnc2n(c1)ncc2c1cn[nH]c1" . "WCDLCPLAAKUJNY-UHFFFAOYSA-N" . "InChI=1S/C19H18N6O/c1-3-17(24-5-7-26-8-6-24)4-2-14(1)16-9-20-19-18(12-23-25(19)13-16)15-10-21-22-11-15/h1-4,9-13H,5-8H2,(H,21,22)" . "COc1cnc(cc1c1cc2c([nH]1)CCNC2=O)COc1ccc(cc1C)F" . "COc1cnc(cc1c1cc2c([nH]1)CCNC2=O)COc1ccc(cc1C)F" . "WYOFSHLAFWJJAZ-UHFFFAOYSA-N" . "InChI=1S/C21H20FN3O3/c1-12-7-13(22)3-4-19(12)28-11-14-8-15(20(27-2)10-24-14)18-9-16-17(25-18)5-6-23-21(16)26/h3-4,7-10,25H,5-6,11H2,1-2H3,(H,23,26)" . "OCCNC(=O)c1cccc(c1)N=C(N1CCN(CC1C)c1ncnc2c1c(C)c[nH]2)NC#N" . "OCCNC(=O)c1cccc(c1)N=C(N1CCN(C[C@@H]1C)c1ncnc2c1c(C)c[nH]2)NC#N" . "BCNLLDVODACBHT-INIZCTEOSA-N" . "InChI=1S/C23H27N9O2/c1-15-11-26-20-19(15)21(29-14-28-20)31-7-8-32(16(2)12-31)23(27-13-24)30-18-5-3-4-17(10-18)22(34)25-6-9-33/h3-5,10-11,14,16,33H,6-9,12H2,1-2H3,(H,25,34)(H,27,30)(H,26,28,29)/t16-/m0/s1" . "O=C(Nc1scc(n1)c1ccncc1)NCc1cccc(c1)O" . "O=C(Nc1scc(n1)c1ccncc1)NCc1cccc(c1)O" . "GDVRVPIXWXOKQO-UHFFFAOYSA-N" . "InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)" . "N#CNC(=Nc1cccc(c1)Br)N1CCN(CC1C)c1ncnc2c1c(C)c[nH]2" . "N#CNC(=Nc1cccc(c1)Br)N1CCN(C[C@@H]1C)c1ncnc2c1c(C)c[nH]2" . "KSECQYDNQYAZMQ-AWEZNQCLSA-N" . "InChI=1S/C20H21BrN8/c1-13-9-23-18-17(13)19(26-12-25-18)28-6-7-29(14(2)10-28)20(24-11-22)27-16-5-3-4-15(21)8-16/h3-5,8-9,12,14H,6-7,10H2,1-2H3,(H,24,27)(H,23,25,26)/t14-/m0/s1" . "CN1CCC(CC1)Oc1ccc2c(c1)n(cn2)c1cc(c(s1)C(=O)N)OC(c1ccccc1Cl)C" . "CN1CCC(CC1)Oc1ccc2c(c1)n(cn2)c1cc(c(s1)C(=O)N)O[C@@H](c1ccccc1Cl)C" . "GILNGUYOGYOZMP-MRXNPFEDSA-N" . "InChI=1S/C26H27ClN4O3S/c1-16(19-5-3-4-6-20(19)27)33-23-14-24(35-25(23)26(28)32)31-15-29-21-8-7-18(13-22(21)31)34-17-9-11-30(2)12-10-17/h3-8,13-17H,9-12H2,1-2H3,(H2,28,32)/t16-/m1/s1" . "ClCC(=O)c1ccc2c(c1)C(=Cc1ccc[nH]1)C(=O)N2" . "ClCC(=O)c1ccc2c(c1)/C(=C/c1ccc[nH]1)/C(=O)N2" . "SEPHEVMRHYRRLS-GHXNOFRVSA-N" . "InChI=1S/C15H11ClN2O2/c16-8-14(19)9-3-4-13-11(6-9)12(15(20)18-13)7-10-2-1-5-17-10/h1-7,17H,8H2,(H,18,20)/b12-7-" . "C=CC(=O)Nc1cccc(c1)Nc1ncc(cn1)NC(=O)c1cc(ccc1C)NC(=O)c1cccc(c1)C(F)(F)F" . "C=CC(=O)Nc1cccc(c1)Nc1ncc(cn1)NC(=O)c1cc(ccc1C)NC(=O)c1cccc(c1)C(F)(F)F" . "BTWVWABAWDKQNJ-UHFFFAOYSA-N" . "InChI=1S/C29H23F3N6O3/c1-3-25(39)35-20-8-5-9-21(13-20)38-28-33-15-23(16-34-28)37-27(41)24-14-22(11-10-17(24)2)36-26(40)18-6-4-7-19(12-18)29(30,31)32/h3-16H,1H2,2H3,(H,35,39)(H,36,40)(H,37,41)(H,33,34,38)" . "CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)C#Cc1cncc2n1ccn2)C" . "CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)C#Cc1cncc2n1ccn2)C" . "VSJSIOZQNZPUAV-UHFFFAOYSA-N" . "InChI=1S/C29H27F3N6O/c1-20-3-4-22(15-21(20)6-8-25-17-33-18-27-34-9-10-38(25)27)28(39)35-24-7-5-23(26(16-24)29(30,31)32)19-37-13-11-36(2)12-14-37/h3-5,7,9-10,15-18H,11-14,19H2,1-2H3,(H,35,39)" . "Oc1ccc(c(c1)Nc1ccnc(n1)Nc1cccc(c1)S(=O)(=O)N)C" . "Oc1ccc(c(c1)Nc1ccnc(n1)Nc1cccc(c1)S(=O)(=O)N)C" . "LKLIRPMEYRVLFV-UHFFFAOYSA-N" . "InChI=1S/C17H17N5O3S/c1-11-5-6-13(23)10-15(11)21-16-7-8-19-17(22-16)20-12-3-2-4-14(9-12)26(18,24)25/h2-10,23H,1H3,(H2,18,24,25)(H2,19,20,21,22)" . "C=CC(=O)NCC(=O)Nc1cccc(c1)Nc1ncc(cn1)NC(=O)c1cc(ccc1C)NC(=O)c1cccc(c1)C(F)(F)F" . "C=CC(=O)NCC(=O)Nc1cccc(c1)Nc1ncc(cn1)NC(=O)c1cc(ccc1C)NC(=O)c1cccc(c1)C(F)(F)F" . "SMOPKEHQPPXRSH-UHFFFAOYSA-N" . "InChI=1S/C31H26F3N7O4/c1-3-26(42)35-17-27(43)38-21-8-5-9-22(13-21)41-30-36-15-24(16-37-30)40-29(45)25-14-23(11-10-18(25)2)39-28(44)19-6-4-7-20(12-19)31(32,33)34/h3-16H,1,17H2,2H3,(H,35,42)(H,38,43)(H,39,44)(H,40,45)(H,36,37,41)" . "Nc1ncc(cc1c1nc2c(o1)cc(cc2)N1CCCC1)c1cnn(c1)C1CCNCC1" . "Nc1ncc(cc1c1nc2c(o1)cc(cc2)N1CCCC1)c1cnn(c1)C1CCNCC1" . "MWVKLRSIDOXBSE-UHFFFAOYSA-N" . "InChI=1S/C24H27N7O/c25-23-20(24-29-21-4-3-19(12-22(21)32-24)30-9-1-2-10-30)11-16(13-27-23)17-14-28-31(15-17)18-5-7-26-8-6-18/h3-4,11-15,18,26H,1-2,5-10H2,(H2,25,27)" . "Oc1ccc(cc1)C(=O)NC1CNCCCC1OC(=O)c1cc(O)c(c(c1)O)C(=O)c1c(O)cccc1C(=O)O" . "Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(c(c1)O)C(=O)c1c(O)cccc1C(=O)O" . "XYUFCXJZFZPEJD-XMSQKQJNSA-N" . "InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1" . "COc1ccccc1n1c(cn2c1nc1c2c(=O)[nH]c(=O)n1C)c1cc(O)ccc1C" . "COc1ccccc1n1c(cn2c1nc1c2c(=O)[nH]c(=O)n1C)c1cc(O)ccc1C" . "JTWMOWRMSZZHDR-UHFFFAOYSA-N" . "InChI=1S/C22H19N5O4/c1-12-8-9-13(28)10-14(12)16-11-26-18-19(25(2)22(30)24-20(18)29)23-21(26)27(16)15-6-4-5-7-17(15)31-3/h4-11,28H,1-3H3,(H,24,29,30)" . "OC(=O)Cn1c(nc2c1c(Br)c(Br)c(c2Br)Br)N(C)C" . "OC(=O)Cn1c(nc2c1c(Br)c(Br)c(c2Br)Br)N(C)C" . "PHAOTASRLQMKBE-UHFFFAOYSA-N" . "InChI=1S/C11H9Br4N3O2/c1-17(2)11-16-9-7(14)5(12)6(13)8(15)10(9)18(11)3-4(19)20/h3H2,1-2H3,(H,19,20)" . "COc1c(ccc2c1CCC(CC2)N1CCOCC1)Nc1ncc(c(n1)NC1C2C=CC(C1C(=O)N)C2)Cl" . "COc1c(ccc2c1CC[C@H](CC2)N1CCOCC1)Nc1ncc(c(n1)N[C@@H]1[C@H]2C=C[C@@H]([C@@H]1C(=O)N)C2)Cl" . "LAJAFFLJAJMYLK-CVOKMOJFSA-N" . "InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1" . "CC(Oc1[nH]nc(c1)n1cnc2c1nc(cc2)NC(c1ccc(cn1)F)C)C" . "CC(Oc1[nH]nc(c1)n1cnc2c1nc(cc2)N[C@H](c1ccc(cn1)F)C)C" . "FZBVNCFBCNXULH-LBPRGKRZSA-N" . "InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1" . "OCC(c1nc(c(s1)c1cnc(c(c1)OC(c1cc(F)ccc1n1nccn1)C)N)C)(O)C" . "OC[C@](c1nc(c(s1)c1cnc(c(c1)O[C@@H](c1cc(F)ccc1n1nccn1)C)N)C)(O)C" . "DIXMBHMNEHPFCX-MCMMXHMISA-N" . "InChI=1S/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/m1/s1" . "Cc1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(n1)C" . "Cc1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(n1)C" . "WFRLFWGASBLYTC-UHFFFAOYSA-N" . "InChI=1S/C17H16ClN5OS/c1-9-5-4-6-12(18)15(9)23-16(24)13-8-19-17(25-13)22-14-7-10(2)20-11(3)21-14/h4-8H,1-3H3,(H,23,24)(H,19,20,21,22)" . "CN(C1CCC(CC1)Nc1nc(ncc1c1onc(c1)C)Nc1cc(Cl)cc(c1)Cl)C" . "CN(C1CCC(CC1)Nc1nc(ncc1c1onc(c1)C)Nc1cc(Cl)cc(c1)Cl)C" . "ZTSOUDMNSOYCTG-UHFFFAOYSA-N" . "InChI=1S/C22H26Cl2N6O/c1-13-8-20(31-29-13)19-12-25-22(27-17-10-14(23)9-15(24)11-17)28-21(19)26-16-4-6-18(7-5-16)30(2)3/h8-12,16,18H,4-7H2,1-3H3,(H2,25,26,27,28)" . "Fc1cccc(c1)c1ccc2c(n1)c(N)ncn2" . "Fc1cccc(c1)c1ccc2c(n1)c(N)ncn2" . "TWTLUQDFSDYZKO-UHFFFAOYSA-N" . "InChI=1S/C13H9FN4/c14-9-3-1-2-8(6-9)10-4-5-11-12(18-10)13(15)17-7-16-11/h1-7H,(H2,15,16,17)" . "O=C(c1ccc(cc1)C(C)(C)C)Nc1cn2c(n1)ccc(c2)n1cncc1" . "O=C(c1ccc(cc1)C(C)(C)C)Nc1cn2c(n1)ccc(c2)n1cncc1" . "SMJAMOAYGIVKRI-UHFFFAOYSA-N" . "InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)" . "COCCN(c1nccc(n1)Nc1n[nH]c(c1)C1CC1)Cc1cc(F)cc2c1cn[nH]2" . "COCCN(c1nccc(n1)Nc1n[nH]c(c1)C1CC1)Cc1cc(F)cc2c1cn[nH]2" . "FTGUWURNNBVUBC-UHFFFAOYSA-N" . "InChI=1S/C21H23FN8O/c1-31-7-6-30(12-14-8-15(22)9-18-16(14)11-24-27-18)21-23-5-4-19(26-21)25-20-10-17(28-29-20)13-2-3-13/h4-5,8-11,13H,2-3,6-7,12H2,1H3,(H,24,27)(H2,23,25,26,28,29)" . "CCn1c(nc2c1c(CN1CCNCC1)cnc2)c1nonc1N" . "CCn1c(nc2c1c(CN1CCNCC1)cnc2)c1nonc1N" . "OXZLPOLYTISTQY-UHFFFAOYSA-N" . "InChI=1S/C15H20N8O/c1-2-23-13-10(9-22-5-3-17-4-6-22)7-18-8-11(13)19-15(23)12-14(16)21-24-20-12/h7-8,17H,2-6,9H2,1H3,(H2,16,21)" . "CCn1c(nc2c1c(CNC1CCNCC1)cnc2)c1nonc1N" . "CCn1c(nc2c1c(CNC1CCNCC1)cnc2)c1nonc1N" . "MBCJUIJWPYUEBX-UHFFFAOYSA-N" . "InChI=1S/C16H22N8O/c1-2-24-14-10(8-20-11-3-5-18-6-4-11)7-19-9-12(14)21-16(24)13-15(17)23-25-22-13/h7,9,11,18,20H,2-6,8H2,1H3,(H2,17,23)" . "O=Cc1c(O)ccc2c1oc(=O)c1c2CCN(C1)C(=N)N" . "O=Cc1c(O)ccc2c1oc(=O)c1c2CCN(C1)C(=N)N" . "YPBDMIVAGFLWPR-UHFFFAOYSA-N" . "InChI=1S/C14H13N3O4/c15-14(16)17-4-3-7-8-1-2-11(19)10(6-18)12(8)21-13(20)9(7)5-17/h1-2,6,19H,3-5H2,(H3,15,16)" . "N#Cc1cnn2c1nc(Nc1ccc(c(c1)NC(=O)C)C)cc2NC1CC1" . "N#Cc1cnn2c1nc(Nc1ccc(c(c1)NC(=O)C)C)cc2NC1CC1" . "GDSQVLMYYCNAGP-UHFFFAOYSA-N" . "InChI=1S/C19H19N7O/c1-11-3-4-15(7-16(11)22-12(2)27)23-17-8-18(24-14-5-6-14)26-19(25-17)13(9-20)10-21-26/h3-4,7-8,10,14,24H,5-6H2,1-2H3,(H,22,27)(H,23,25)" . "NCCOCCOCCOCCOc1ccc(cc1)NC1=NC(=Cc2ccc3c(c2)OCO3)C(=O)N1" . "NCCOCCOCCOCCOc1ccc(cc1)NC1=N/C(=C/c2ccc3c(c2)OCO3)/C(=O)N1" . "ZBYBDKHFLSHGBP-QNGOZBTKSA-N" . "InChI=1S/C25H30N4O7/c26-7-8-31-9-10-32-11-12-33-13-14-34-20-4-2-19(3-5-20)27-25-28-21(24(30)29-25)15-18-1-6-22-23(16-18)36-17-35-22/h1-6,15-16H,7-14,17,26H2,(H2,27,28,29,30)/b21-15-" . "Clc1cccc(c1)Nc1nc2cc(ccc2c2c1ccnc2)C(=O)O" . "Clc1cccc(c1)Nc1nc2cc(ccc2c2c1ccnc2)C(=O)O" . "MUOKSQABCJCOPU-UHFFFAOYSA-N" . "InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)" . "CC(=O)c1nc(c[nH]1)C(C(C(CO)O)O)O" . "CC(=O)c1nc(c[nH]1)[C@H]([C@@H]([C@@H](CO)O)O)O" . "CQSIXFHVGKMLGQ-BWZBUEFSSA-N" . "InChI=1S/C9H14N2O5/c1-4(13)9-10-2-5(11-9)7(15)8(16)6(14)3-12/h2,6-8,12,14-16H,3H2,1H3,(H,10,11)/t6-,7-,8-/m1/s1" . "Fc1cc(cc(c1C)c1ccn2c(c1)nnc2C1(C)CC1)C(=O)NC1CC1" . "Fc1cc(cc(c1C)c1ccn2c(c1)nnc2C1(C)CC1)C(=O)NC1CC1" . "REGFSKAVJRCHTE-UHFFFAOYSA-N" . "InChI=1S/C21H21FN4O/c1-12-16(9-14(10-17(12)22)19(27)23-15-3-4-15)13-5-8-26-18(11-13)24-25-20(26)21(2)6-7-21/h5,8-11,15H,3-4,6-7H2,1-2H3,(H,23,27)" . "OC1CCC2(C(C1)CCC1C2CCC2(C1CCC2C(CCC(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)C)C)C" . "O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)C)C)C" . "ITOFPJRDSCGOSA-KZLRUDJFSA-N" . "InChI=1S/C35H50N2O4/c1-21(8-13-32(39)37-31(33(40)41)18-22-20-36-30-7-5-4-6-25(22)30)27-11-12-28-26-10-9-23-19-24(38)14-16-34(23,2)29(26)15-17-35(27,28)3/h4-7,20-21,23-24,26-29,31,36,38H,8-19H2,1-3H3,(H,37,39)(H,40,41)/t21-,23-,24-,26+,27-,28+,29+,31+,34+,35-/m1/s1" . "N#Cc1cc(F)c(nc1NC(c1ccc(cn1)F)C)Nc1n[nH]c(c1)C" . "N#Cc1cc(F)c(nc1N[C@H](c1ccc(cn1)F)C)Nc1n[nH]c(c1)C" . "HIHOEGPXVVKJPP-JTQLQIEISA-N" . "InChI=1S/C17H15F2N7/c1-9-5-15(26-25-9)23-17-13(19)6-11(7-20)16(24-17)22-10(2)14-4-3-12(18)8-21-14/h3-6,8,10H,1-2H3,(H3,22,23,24,25,26)/t10-/m0/s1" . "N#Cc1ncc2nc1OCCCCOc1c(NC(=O)N2)cc(Cl)c(c1)NCc1cncs1" . "N#Cc1ncc2nc1OCCCCOc1c(NC(=O)N2)cc(Cl)c(c1)NCc1cncs1" . "AZTMYWWWILJAKW-UHFFFAOYSA-N" . "InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29)" . "COc1ccc(cc1)c1cnc2n(c1)ncc2c1cccc2c1cccn2" . "COc1ccc(cc1)c1cnc2n(c1)ncc2c1cccc2c1cccn2" . "FVRYPYDPKSZGNS-UHFFFAOYSA-N" . "InChI=1S/C22H16N4O/c1-27-17-9-7-15(8-10-17)16-12-24-22-20(13-25-26(22)14-16)18-4-2-6-21-19(18)5-3-11-23-21/h2-14H,1H3" . "O1CCN(CC1)c1ccc(cc1)c1cnc2n(c1)ncc2c1ccnc2c1cccc2" . "O1CCN(CC1)c1ccc(cc1)c1cnc2n(c1)ncc2c1ccnc2c1cccc2" . "SZVLDZCYMADNPG-UHFFFAOYSA-N" . "InChI=1S/C25H21N5O/c1-2-4-24-22(3-1)21(9-10-26-24)23-16-28-30-17-19(15-27-25(23)30)18-5-7-20(8-6-18)29-11-13-31-14-12-29/h1-10,15-17H,11-14H2" . "COc1cc(Cl)c(c(c1)Cl)c1cc(nc(n1)c1cnccn1)c1cnc(s1)NC(=O)C" . "COc1cc(Cl)c(c(c1)Cl)c1cc(nc(n1)c1cnccn1)c1cnc(s1)NC(=O)C" . "XACSASLXEAYEEO-UHFFFAOYSA-N" . "InChI=1S/C20H14Cl2N6O2S/c1-10(29)26-20-25-9-17(31-20)14-7-15(18-12(21)5-11(30-2)6-13(18)22)28-19(27-14)16-8-23-3-4-24-16/h3-9H,1-2H3,(H,25,26,29)" . "OCC1OC(O)C(C(C1O)O)N" . "OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@@H]1O)O)N" . "MSWZFWKMSRAUBD-QZABAPFNSA-N" . "InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1" . "CNC(=O)Nc1ncc(s1)c1nc(nc(c1)c1c(C)cc(cc1C)OC(CC)CC)c1nccnc1" . "CNC(=O)Nc1ncc(s1)c1nc(nc(c1)c1c(C)cc(cc1C)OC(CC)CC)c1nccnc1" . "RYXLLTGGHCFCFK-UHFFFAOYSA-N" . "InChI=1S/C26H29N7O2S/c1-6-17(7-2)35-18-10-15(3)23(16(4)11-18)20-12-19(22-14-30-26(36-22)33-25(34)27-5)31-24(32-20)21-13-28-8-9-29-21/h8-14,17H,6-7H2,1-5H3,(H2,27,30,33,34)" . "CCNC(=O)Nc1ncc(s1)c1cc(nc(n1)c1cnccn1)c1c(C)cc(cc1C)OC" . "CCNC(=O)Nc1ncc(s1)c1cc(nc(n1)c1cnccn1)c1c(C)cc(cc1C)OC" . "WUCYRTXFXRZKSV-UHFFFAOYSA-N" . "InChI=1S/C23H23N7O2S/c1-5-25-22(31)30-23-27-12-19(33-23)16-10-17(20-13(2)8-15(32-4)9-14(20)3)29-21(28-16)18-11-24-6-7-26-18/h6-12H,5H2,1-4H3,(H2,25,27,30,31)" . "CNC(=O)CCc1nn(c(c1)c1ccc(cc1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)N1CCNCC1" . "CNC(=O)CCc1nn(c(c1)c1ccc(cc1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)N1CCNCC1" . "GHBUPSVATJKTRR-UHFFFAOYSA-N" . "InChI=1S/C30H30F3N5O/c1-34-29(39)15-10-25-20-28(38(36-25)27-13-11-26(12-14-27)37-18-16-35-17-19-37)23-4-2-21(3-5-23)22-6-8-24(9-7-22)30(31,32)33/h2-9,11-14,20,35H,10,15-19H2,1H3,(H,34,39)" . "Oc1ccc(cc1C)c1nc(=O)[nH]c(c1)c1ccccc1" . "Oc1ccc(cc1C)c1nc(=O)[nH]c(c1)c1ccccc1" . "MHPMAOLCNNEBOA-UHFFFAOYSA-N" . "InChI=1S/C17H14N2O2/c1-11-9-13(7-8-16(11)20)15-10-14(18-17(21)19-15)12-5-3-2-4-6-12/h2-10,20H,1H3,(H,18,19,21)" . "FCCC1CNC(=O)c2c1[nH]c(c2)c1ccnc(n1)N" . "FCC[C@H]1CNC(=O)c2c1[nH]c(c2)c1ccnc(n1)N" . "LCBAQTCTQXHTJG-ZETCQYMHSA-N" . "InChI=1S/C13H14FN5O/c14-3-1-7-6-17-12(20)8-5-10(18-11(7)8)9-2-4-16-13(15)19-9/h2,4-5,7,18H,1,3,6H2,(H,17,20)(H2,15,16,19)/t7-/m0/s1" . "Clc1ccc2c(c1)c1[nH]c(nc(=O)c1o2)C1CCCN1" . "Clc1ccc2c(c1)c1[nH]c(nc(=O)c1o2)[C@@H]1CCCN1" . "JJWLXRKVUJDJKG-VIFPVBQESA-N" . "InChI=1S/C14H12ClN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)/t9-/m0/s1" . "Ic1ccc2c(c1)C(=Cc1cc(Br)c(c(c1)Br)O)C(=O)N2" . "Ic1ccc2c(c1)/C(=C/c1cc(Br)c(c(c1)Br)O)/C(=O)N2" . "LMXYVLFTZRPNRV-KMKOMSMNSA-N" . "InChI=1S/C15H8Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)/b10-3-" . "NC(=O)c1cnccc1Nc1nc(ncc1OCCS(=O)(=O)C)c1nn(c2c1CCC2)Cc1ccccc1F" . "NC(=O)c1cnccc1Nc1nc(ncc1OCCS(=O)(=O)C)c1nn(c2c1CCC2)Cc1ccccc1F" . "FFVPQWXBEUUBMF-UHFFFAOYSA-N" . "InChI=1S/C26H26FN7O4S/c1-39(36,37)12-11-38-22-14-30-26(32-25(22)31-20-9-10-29-13-18(20)24(28)35)23-17-6-4-8-21(17)34(33-23)15-16-5-2-3-7-19(16)27/h2-3,5,7,9-10,13-14H,4,6,8,11-12,15H2,1H3,(H2,28,35)(H,29,30,31,32)" . "N#Cc1cccc(c1)c1c[nH]c2c1c(ncn2)N1CCOCC1" . "N#Cc1cccc(c1)c1c[nH]c2c1c(ncn2)N1CCOCC1" . "BHTWDJBVZQBRKP-UHFFFAOYSA-N" . "InChI=1S/C17H15N5O/c18-9-12-2-1-3-13(8-12)14-10-19-16-15(14)17(21-11-20-16)22-4-6-23-7-5-22/h1-3,8,10-11H,4-7H2,(H,19,20,21)" . "CCOc1cc(F)c(c(c1)F)Cn1nc(c2c1CCC2)c1ncc(c(n1)Nc1ccncc1)OCCN(C)C" . "CCOc1cc(F)c(c(c1)F)Cn1nc(c2c1CCC2)c1ncc(c(n1)Nc1ccncc1)OCCN(C)C" . "HDLPONLLJOSAIM-UHFFFAOYSA-N" . "InChI=1S/C28H31F2N7O2/c1-4-38-19-14-22(29)21(23(30)15-19)17-37-24-7-5-6-20(24)26(35-37)28-32-16-25(39-13-12-36(2)3)27(34-28)33-18-8-10-31-11-9-18/h8-11,14-16H,4-7,12-13,17H2,1-3H3,(H,31,32,33,34)" . "CCOc1cc(F)c(c(c1)F)Cn1nc(c2c1CCC2)c1ncc(c(n1)Nc1ccncc1)OCC1(CO)COC1" . "CCOc1cc(F)c(c(c1)F)Cn1nc(c2c1CCC2)c1ncc(c(n1)Nc1ccncc1)OCC1(CO)COC1" . "WIVMUEFNJYZIOY-UHFFFAOYSA-N" . "InChI=1S/C29H30F2N6O4/c1-2-40-19-10-22(30)21(23(31)11-19)13-37-24-5-3-4-20(24)26(36-37)28-33-12-25(41-17-29(14-38)15-39-16-29)27(35-28)34-18-6-8-32-9-7-18/h6-12,38H,2-5,13-17H2,1H3,(H,32,33,34,35)" . "CCOc1cc(F)c(c(c1)F)Cn1nc(c2c1CCC2)c1ncc(c(n1)Nc1ccncc1)OC" . "CCOc1cc(F)c(c(c1)F)Cn1nc(c2c1CCC2)c1ncc(c(n1)Nc1ccncc1)OC" . "UJORPFQWUKFXIE-UHFFFAOYSA-N" . "InChI=1S/C25H24F2N6O2/c1-3-35-16-11-19(26)18(20(27)12-16)14-33-21-6-4-5-17(21)23(32-33)25-29-13-22(34-2)24(31-25)30-15-7-9-28-10-8-15/h7-13H,3-6,14H2,1-2H3,(H,28,29,30,31)" . "CN1CCC(CC1)Nc1nc(Nc2ccc(cc2)Oc2ccccc2)c2c(n1)c(Br)c[nH]c2=O" . "CN1CCC(CC1)Nc1nc(Nc2ccc(cc2)Oc2ccccc2)c2c(n1)c(Br)c[nH]c2=O" . "SXWMIXPJPNCXQQ-UHFFFAOYSA-N" . "InChI=1S/C25H25BrN6O2/c1-32-13-11-17(12-14-32)29-25-30-22-20(26)15-27-24(33)21(22)23(31-25)28-16-7-9-19(10-8-16)34-18-5-3-2-4-6-18/h2-10,15,17H,11-14H2,1H3,(H,27,33)(H2,28,29,30,31)" . "Cc1cccc(n1)c1[nH]c(nc1c1ccc2n(c1)ncn2)CNc1ccccc1F" . "Cc1cccc(n1)c1[nH]c(nc1c1ccc2n(c1)ncn2)CNc1ccccc1F" . "FJCDSQATIJKQKA-UHFFFAOYSA-N" . "InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)" . "CN1CCN(CC1)Cc1ccc(cc1)c1cnc2c(c1)c(c[nH]2)c1ccc2c(c1)cc[nH]2" . "CN1CCN(CC1)Cc1ccc(cc1)c1cnc2c(c1)c(c[nH]2)c1ccc2c(c1)cc[nH]2" . "QKKIWEILHCXECO-UHFFFAOYSA-N" . "InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30)" . "OC(=O)CC(C(=O)O)N" . "OC(=O)C[C@@H](C(=O)O)N" . "CKLJMWTZIZZHCS-REOHCLBHSA-N" . "InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1" . "OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)Br)c2c(c1O)cccc2" . "OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)Br)c2c(c1O)cccc2" . "WUGANDSUVKXMEC-UHFFFAOYSA-N" . "InChI=1S/C18H14BrNO5S2/c19-11-5-7-12(8-6-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-4-2-1-3-13(14)15/h1-9,20,23H,10H2,(H,21,22)" . "OCCn1ncc(c1)C=Cc1n[nH]c2c1cc(cc2)OC(c1c(Cl)cncc1Cl)C" . "OCCn1ncc(c1)/C=C/c1n[nH]c2c1cc(cc2)O[C@@H](c1c(Cl)cncc1Cl)C" . "GKJCVYLDJWTWQU-CXLRFSCWSA-N" . "InChI=1S/C21H19Cl2N5O2/c1-13(21-17(22)10-24-11-18(21)23)30-15-3-5-20-16(8-15)19(26-27-20)4-2-14-9-25-28(12-14)6-7-29/h2-5,8-13,29H,6-7H2,1H3,(H,26,27)/b4-2+/t13-/m1/s1" . "CC(c1sc2c(c1)c(ncn2)N1CCN(CC1)C1=NCC(S1)(C)C)C" . "CC(c1sc2c(c1)c(ncn2)N1CCN(CC1)C1=NCC(S1)(C)C)C" . "FUGQNAUKABUDQI-UHFFFAOYSA-N" . "InChI=1S/C18H25N5S2/c1-12(2)14-9-13-15(20-11-21-16(13)24-14)22-5-7-23(8-6-22)17-19-10-18(3,4)25-17/h9,11-12H,5-8,10H2,1-4H3" . "N#Cc1ccc(cc1)c1csc(n1)NN=C1CCCC1" . "N#Cc1ccc(cc1)c1csc(n1)NN=C1CCCC1" . "XAEJIFARBQJLML-UHFFFAOYSA-N" . "InChI=1S/C15H14N4S/c16-9-11-5-7-12(8-6-11)14-10-20-15(17-14)19-18-13-3-1-2-4-13/h5-8,10H,1-4H2,(H,17,19)" . "O=C1CCc2c(O1)ccc1c2cccc1" . "O=C1CCc2c(O1)ccc1c2cccc1" . "ISFPDBUKMJDAJH-UHFFFAOYSA-N" . "InChI=1S/C13H10O2/c14-13-8-6-11-10-4-2-1-3-9(10)5-7-12(11)15-13/h1-5,7H,6,8H2" . "NC(=O)C1CCCc2c1[nH]c1c2cc(cc1)Cl" . "NC(=O)C1CCCc2c1[nH]c1c2cc(cc1)Cl" . "FUZYTVDVLBBXDL-UHFFFAOYSA-N" . "InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)" . "N#CC(=Cc1ccc(o1)c1cc(Cl)ccc1Cl)C(=O)Nc1cccc2c1cccn2" . "N#C/C(=C/c1ccc(o1)c1cc(Cl)ccc1Cl)/C(=O)Nc1cccc2c1cccn2" . "SVENPFFEMUOOGK-SDNWHVSQSA-N" . "InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+" . "COc1cccc2c1c(O)c(C(=O)N(c1ccc(cc1)C(F)(F)F)C)c(=O)n2C" . "COc1cccc2c1c(O)c(C(=O)N(c1ccc(cc1)C(F)(F)F)C)c(=O)n2C" . "ONDYALNGTUAJDX-UHFFFAOYSA-N" . "InChI=1S/C20H17F3N2O4/c1-24(12-9-7-11(8-10-12)20(21,22)23)18(27)16-17(26)15-13(25(2)19(16)28)5-4-6-14(15)29-3/h4-10,26H,1-3H3" . "CC(OC(=O)C(N)C)COc1cn2c(c1C)c(ncn2)Oc1ccc2c(c1F)cc([nH]2)C" . "C[C@@H](OC(=O)[C@@H](N)C)COc1cn2c(c1C)c(ncn2)Oc1ccc2c(c1F)cc([nH]2)C" . "LTEJRLHKIYCEOX-OCCSQVGLSA-N" . "InChI=1S/C22H24FN5O4/c1-11-7-15-16(27-11)5-6-17(19(15)23)32-21-20-13(3)18(8-28(20)26-10-25-21)30-9-12(2)31-22(29)14(4)24/h5-8,10,12,14,27H,9,24H2,1-4H3/t12-,14+/m1/s1" . "CN1CCN(CC1)CC(=O)N(c1ccc(cc1)NC(=C1C(=O)Nc2c1ccc(c2)C(=O)O)c1ccccc1)C" . "CN1CCN(CC1)CC(=O)N(c1ccc(cc1)N/C(=C/1/C(=O)Nc2c1ccc(c2)C(=O)O)/c1ccccc1)C" . "KEHNCEDHZGQSNP-DQSJHHFOSA-N" . "InChI=1S/C30H31N5O4/c1-33-14-16-35(17-15-33)19-26(36)34(2)23-11-9-22(10-12-23)31-28(20-6-4-3-5-7-20)27-24-13-8-21(30(38)39)18-25(24)32-29(27)37/h3-13,18,31H,14-17,19H2,1-2H3,(H,32,37)(H,38,39)/b28-27-" . "CCN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(cc1)NC(=O)Nc1noc(c1)C(C)(C)C" . "CCN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(cc1)NC(=O)Nc1noc(c1)C(C)(C)C" . "JVCWPUFNLFSKFS-UHFFFAOYSA-N" . "InChI=1S/C31H42N6O4/c1-9-37-30(5,6)17-23(18-31(37,7)8)40-22-14-15-24(32-19-22)27(38)33-20-10-12-21(13-11-20)34-28(39)35-26-16-25(41-36-26)29(2,3)4/h10-16,19,23H,9,17-18H2,1-8H3,(H,33,38)(H2,34,35,36,39)" . "CN(Cc1ccc(cc1)c1nc2c3n1CCNC(=O)c3ccc2)C" . "CN(Cc1ccc(cc1)c1nc2c3n1CCNC(=O)c3ccc2)C" . "SEKJSSBJKFLZIT-UHFFFAOYSA-N" . "InChI=1S/C19H20N4O/c1-22(2)12-13-6-8-14(9-7-13)18-21-16-5-3-4-15-17(16)23(18)11-10-20-19(15)24/h3-9H,10-12H2,1-2H3,(H,20,24)" . "NCCN(c1ncc2c(n1)c(cs2)C(=O)Nc1cc2cccnc2cc1OC)C" . "NCCN(c1ncc2c(n1)c(cs2)C(=O)Nc1cc2cccnc2cc1OC)C" . "BUJSZRICYLPWCM-UHFFFAOYSA-N" . "InChI=1S/C20H20N6O2S/c1-26(7-5-21)20-23-10-17-18(25-20)13(11-29-17)19(27)24-15-8-12-4-3-6-22-14(12)9-16(15)28-2/h3-4,6,8-11H,5,7,21H2,1-2H3,(H,24,27)" . "NCC1CCN(CC1)c1ccc(cc1NC(=O)c1cnn2c1ncc(c2)O)Cl" . "NCC1CCN(CC1)c1ccc(cc1NC(=O)c1cnn2c1ncc(c2)O)Cl" . "BNVZRFQNZWYPQH-UHFFFAOYSA-N" . "InChI=1S/C19H21ClN6O2/c20-13-1-2-17(25-5-3-12(8-21)4-6-25)16(7-13)24-19(28)15-10-23-26-11-14(27)9-22-18(15)26/h1-2,7,9-12,27H,3-6,8,21H2,(H,24,28)" . "NC(=O)C(CC1CCc2c1c1c(ncnc1s2)OC1CCC(CC1)N1CCOCC1)O" . "NC(=O)[C@H](C[C@H]1CCc2c1c1c(ncnc1s2)O[C@@H]1CC[C@H](CC1)N1CCOCC1)O" . "ZSMULWAVKYFPSS-FPCVCCKLSA-N" . "InChI=1S/C22H30N4O4S/c23-20(28)16(27)11-13-1-6-17-18(13)19-21(24-12-25-22(19)31-17)30-15-4-2-14(3-5-15)26-7-9-29-10-8-26/h12-16,27H,1-11H2,(H2,23,28)/t13-,14-,15-,16+/m1/s1" . "NC(=O)CC1CCc2c1c1c(ncnc1s2)OC1CCC(CC1)N1CCOCC1" . "NC(=O)C[C@H]1CCc2c1c1c(ncnc1s2)O[C@@H]1CC[C@H](CC1)N1CCOCC1" . "VZOLINZYKOLXAC-RBSFLKMASA-N" . "InChI=1S/C21H28N4O3S/c22-17(26)11-13-1-6-16-18(13)19-20(23-12-24-21(19)29-16)28-15-4-2-14(3-5-15)25-7-9-27-10-8-25/h12-15H,1-11H2,(H2,22,26)/t13-,14-,15-/m1/s1" . "Clc1ccc2n(c1)c(cn2)c1cccc(n1)NC1CNCC1" . "Clc1ccc2n(c1)c(cn2)c1cccc(n1)NC1CNCC1" . "NAMQQRIYZTTYCJ-UHFFFAOYSA-N" . "InChI=1S/C16H16ClN5/c17-11-4-5-16-19-9-14(22(16)10-11)13-2-1-3-15(21-13)20-12-6-7-18-8-12/h1-5,9-10,12,18H,6-8H2,(H,20,21)" . "COc1cc(ccc1NC(=O)c1cccc(n1)c1ccn[nH]1)N1CCOCC1" . "COc1cc(ccc1NC(=O)c1cccc(n1)c1ccn[nH]1)N1CCOCC1" . "RAFFLDOJXQAJPF-UHFFFAOYSA-N" . "InChI=1S/C20H21N5O3/c1-27-19-13-14(25-9-11-28-12-10-25)5-6-17(19)23-20(26)18-4-2-3-15(22-18)16-7-8-21-24-16/h2-8,13H,9-12H2,1H3,(H,21,24)(H,23,26)" . "OC(=O)c1ccc(cc1)C1=Nc2cc(ccc2N(c2c1cc1c(c2)C(C)(C)CCC1(C)C)C)[N+](=O)[O-]" . "OC(=O)c1ccc(cc1)C1=Nc2cc(ccc2N(c2c1cc1c(c2)C(C)(C)CCC1(C)C)C)[N+](=O)[O-]" . "SXKPGYKPQPYJER-UHFFFAOYSA-N" . "InChI=1S/C29H29N3O4/c1-28(2)12-13-29(3,4)22-16-25-20(15-21(22)28)26(17-6-8-18(9-7-17)27(33)34)30-23-14-19(32(35)36)10-11-24(23)31(25)5/h6-11,14-16H,12-13H2,1-5H3,(H,33,34)" . "COc1cc2C=CCC(O)C(O)C(=O)C=CCC(OC(=O)c2c(c1)O)C" . "COc1cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C/C[C@@H](OC(=O)c2c(c1)O)C" . "NEQZWEXWOFPKOT-BYRRXHGESA-N" . "InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3-/t11-,15-,18+/m0/s1" . "O=C(c1cccnc1)Nc1nn2c(n1)cc(cc2NC1CC1)C(F)(F)F" . "O=C(c1cccnc1)Nc1nn2c(n1)cc(cc2NC1CC1)C(F)(F)F" . "XUKGFHHTSUKORV-UHFFFAOYSA-N" . "InChI=1S/C16H13F3N6O/c17-16(18,19)10-6-12(21-11-3-4-11)25-13(7-10)22-15(24-25)23-14(26)9-2-1-5-20-8-9/h1-2,5-8,11,21H,3-4H2,(H,23,24,26)" . "O1CCN(CC1)CCOc1ccc2c(c1)nccc2c1c2CCCn2nc1c1ccccn1" . "O1CCN(CC1)CCOc1ccc2c(c1)nccc2c1c2CCCn2nc1c1ccccn1" . "IHLVSLOZUHKNMQ-UHFFFAOYSA-N" . "InChI=1S/C26H27N5O2/c1-2-9-27-22(4-1)26-25(24-5-3-11-31(24)29-26)21-8-10-28-23-18-19(6-7-20(21)23)33-17-14-30-12-15-32-16-13-30/h1-2,4,6-10,18H,3,5,11-17H2" . "CCN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)Oc1ccnc2c1cc[nH]2)C" . "CCN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)Oc1ccnc2c1cc[nH]2)C" . "SMPGEBOIKULBCT-UHFFFAOYSA-N" . "InChI=1S/C29H30F3N5O2/c1-3-36-12-14-37(15-13-36)18-21-6-7-22(17-24(21)29(30,31)32)35-28(38)20-5-4-19(2)26(16-20)39-25-9-11-34-27-23(25)8-10-33-27/h4-11,16-17H,3,12-15,18H2,1-2H3,(H,33,34)(H,35,38)" . "CCNc1nc(ncc1C(F)(F)F)Nc1cc(F)c(cc1OC)C(=O)N1CCOCC1" . "CCNc1nc(ncc1C(F)(F)F)Nc1cc(F)c(cc1OC)C(=O)N1CCOCC1" . "XCFLWTZSJYBCPF-UHFFFAOYSA-N" . "InChI=1S/C19H21F4N5O3/c1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-13(20)11(8-15(14)30-2)17(29)28-4-6-31-7-5-28/h8-10H,3-7H2,1-2H3,(H2,24,25,26,27)" . "O=C(Nc1cc(ccc1F)C(F)(F)F)Nc1ccc(c(c1)Nc1ccc2c(c1)NC(=O)C2=Cc1ccc[nH]1)C" . "O=C(Nc1cc(ccc1F)C(F)(F)F)Nc1ccc(c(c1)Nc1ccc2c(c1)NC(=O)/C/2=C/c1ccc[nH]1)C" . "YYDUWLSETXNJJT-MTJSOVHGSA-N" . "InChI=1S/C28H21F4N5O2/c1-15-4-6-19(35-27(39)37-25-11-16(28(30,31)32)5-9-22(25)29)13-23(15)34-18-7-8-20-21(12-17-3-2-10-33-17)26(38)36-24(20)14-18/h2-14,33-34H,1H3,(H,36,38)(H2,35,37,39)/b21-12-" . "NCCCCCC(=O)O" . "NCCCCCC(=O)O" . "SLXKOJJOQWFEFD-UHFFFAOYSA-N" . "InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)" . "NC1CCCCC1Nc1ncc(c(n1)Nc1cccc(c1)n1nccn1)C(=O)N" . "N[C@H]1CCCC[C@H]1Nc1ncc(c(n1)Nc1cccc(c1)n1nccn1)C(=O)N" . "TXGKRVFSSHPBAJ-JKSUJKDBSA-N" . "InChI=1S/C19H23N9O/c20-15-6-1-2-7-16(15)26-19-22-11-14(17(21)29)18(27-19)25-12-4-3-5-13(10-12)28-23-8-9-24-28/h3-5,8-11,15-16H,1-2,6-7,20H2,(H2,21,29)(H2,22,25,26,27)/t15-,16+/m0/s1" . "COCCOc1ccc2c(c1)ncn2c1ccc2c(n1)c(ccc2)N1CCC(CC1)N" . "COCCOc1ccc2c(c1)ncn2c1ccc2c(n1)c(ccc2)N1CCC(CC1)N" . "DEEOXSOLTLIWMG-UHFFFAOYSA-N" . "InChI=1S/C24H27N5O2/c1-30-13-14-31-19-6-7-21-20(15-19)26-16-29(21)23-8-5-17-3-2-4-22(24(17)27-23)28-11-9-18(25)10-12-28/h2-8,15-16,18H,9-14,25H2,1H3" . "COc1cc(OC)ccc1N(C(=O)Oc1c(C)cccc1C)c1ccnc(n1)Nc1ccc(cc1)N1CCN(CC1)C" . "COc1cc(OC)ccc1N(C(=O)Oc1c(C)cccc1C)c1ccnc(n1)Nc1ccc(cc1)N1CCN(CC1)C" . "NBTNHSGBRGTFJS-UHFFFAOYSA-N" . "InChI=1S/C32H36N6O4/c1-22-7-6-8-23(2)30(22)42-32(39)38(27-14-13-26(40-4)21-28(27)41-5)29-15-16-33-31(35-29)34-24-9-11-25(12-10-24)37-19-17-36(3)18-20-37/h6-16,21H,17-20H2,1-5H3,(H,33,34,35)" . "Nc1ncnc2c1c(cn2C1CC(C1)CN1CCC1)c1cccc(c1)OCc1ccccc1" . "Nc1ncnc2c1c(cn2C1CC(C1)CN1CCC1)c1cccc(c1)OCc1ccccc1" . "AECDBHGVIIRMOI-UHFFFAOYSA-N" . "InChI=1S/C27H29N5O/c28-26-25-24(21-8-4-9-23(14-21)33-17-19-6-2-1-3-7-19)16-32(27(25)30-18-29-26)22-12-20(13-22)15-31-10-5-11-31/h1-4,6-9,14,16,18,20,22H,5,10-13,15,17H2,(H2,28,29,30)" . "Cc1c(cccc1c1cn(C)c(=O)c(n1)Nc1ccc(cc1)C(=O)N1CCOCC1)NC(=O)c1ccc(cc1)C(C)(C)C" . "Cc1c(cccc1c1cn(C)c(=O)c(n1)Nc1ccc(cc1)C(=O)N1CCOCC1)NC(=O)c1ccc(cc1)C(C)(C)C" . "JIFCFQDXHMUPGP-UHFFFAOYSA-N" . "InChI=1S/C34H37N5O4/c1-22-27(7-6-8-28(22)37-31(40)23-9-13-25(14-10-23)34(2,3)4)29-21-38(5)33(42)30(36-29)35-26-15-11-24(12-16-26)32(41)39-17-19-43-20-18-39/h6-16,21H,17-20H2,1-5H3,(H,35,36)(H,37,40)" . "OCCNC(=O)c1cccc(c1)c1ncnc(c1)Nc1ccc(cc1)OC(F)(F)F" . "OCCNC(=O)c1cccc(c1)c1ncnc(c1)Nc1ccc(cc1)OC(F)(F)F" . "IIQUYGWWHIHOCF-UHFFFAOYSA-N" . "InChI=1S/C20H17F3N4O3/c21-20(22,23)30-16-6-4-15(5-7-16)27-18-11-17(25-12-26-18)13-2-1-3-14(10-13)19(29)24-8-9-28/h1-7,10-12,28H,8-9H2,(H,24,29)(H,25,26,27)" . "CN(Cc1cccc(c1)NC(=C1C(=O)Nc2c1ccc(c2)C(=O)N)c1ccccc1)C" . "CN(Cc1cccc(c1)N/C(=C/1/C(=O)Nc2c1ccc(c2)C(=O)N)/c1ccccc1)C" . "FSZPIAXLCCQFCM-FCQUAONHSA-N" . "InChI=1S/C25H24N4O2/c1-29(2)15-16-7-6-10-19(13-16)27-23(17-8-4-3-5-9-17)22-20-12-11-18(24(26)30)14-21(20)28-25(22)31/h3-14,27H,15H2,1-2H3,(H2,26,30)(H,28,31)/b23-22-" . "O=C(C1CCC1)NCCCNc1nc(ncc1C1CC1)Nc1cccc(c1)CN1CCOCC1" . "O=C(C1CCC1)NCCCNc1nc(ncc1C1CC1)Nc1cccc(c1)CN1CCOCC1" . "UKBGBACORPRCGG-UHFFFAOYSA-N" . "InChI=1S/C26H36N6O2/c33-25(21-5-2-6-21)28-11-3-10-27-24-23(20-8-9-20)17-29-26(31-24)30-22-7-1-4-19(16-22)18-32-12-14-34-15-13-32/h1,4,7,16-17,20-21H,2-3,5-6,8-15,18H2,(H,28,33)(H2,27,29,30,31)" . "OC(=O)C1(CCC(CC1)Oc1cccc(c1F)Cl)Cc1cccc(n1)Nc1nccs1" . "OC(=O)C1(CCC(CC1)Oc1cccc(c1F)Cl)Cc1cccc(n1)Nc1nccs1" . "LCVIRAZGMYMNNT-UHFFFAOYSA-N" . "InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)" . "Cc1csc(c1)c1nnc(c2c1cccc2)Nc1ccc(cc1)Oc1ncccc1c1ccnc(n1)N" . "Cc1csc(c1)c1nnc(c2c1cccc2)Nc1ccc(cc1)Oc1ncccc1c1ccnc(n1)N" . "IVUGFMLRJOCGAS-UHFFFAOYSA-N" . "InChI=1S/C28H21N7OS/c1-17-15-24(37-16-17)25-20-5-2-3-6-21(20)26(35-34-25)32-18-8-10-19(11-9-18)36-27-22(7-4-13-30-27)23-12-14-31-28(29)33-23/h2-16H,1H3,(H,32,35)(H2,29,31,33)" . "Cc1cc(C(Nc2ccccc2C(=O)O)C)c2n(c1)c(=O)cc(n2)N1CCOCC1" . "Cc1cc([C@H](Nc2ccccc2C(=O)O)C)c2n(c1)c(=O)cc(n2)N1CCOCC1" . "IRTDIKMSKMREGO-OAHLLOKOSA-N" . "InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1" . "CN(CC=CC(=O)Nc1cccc(c1)C(=O)Nc1ccc(c(c1)C)Nc1nccc(n1)c1cccnc1)C" . "CN(C/C=C/C(=O)Nc1cccc(c1)C(=O)Nc1ccc(c(c1)C)Nc1nccc(n1)c1cccnc1)C" . "GJFCSAPFHAXMSF-UXBLZVDNSA-N" . "InChI=1S/C29H29N7O2/c1-20-17-24(11-12-25(20)34-29-31-15-13-26(35-29)22-8-5-14-30-19-22)33-28(38)21-7-4-9-23(18-21)32-27(37)10-6-16-36(2)3/h4-15,17-19H,16H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)/b10-6+" . "CCOc1cc(ccc1Nc1ncc2c(n1)n(C)c1ccccc1c(=O)n2C)N1CCC(CC1)O" . "CCOc1cc(ccc1Nc1ncc2c(n1)n(C)c1ccccc1c(=O)n2C)N1CCC(CC1)O" . "QAPAJIZPZGWAND-UHFFFAOYSA-N" . "InChI=1S/C26H30N6O3/c1-4-35-23-15-17(32-13-11-18(33)12-14-32)9-10-20(23)28-26-27-16-22-24(29-26)30(2)21-8-6-5-7-19(21)25(34)31(22)3/h5-10,15-16,18,33H,4,11-14H2,1-3H3,(H,27,28,29)" . "O=C(N1CCN(CC1)c1ccc(cc1)c1ncccn1)CN1CCC(C1)C(=O)Nc1ccc2c(c1)c(n[nH]2)c1ccncc1" . "O=C(N1CCN(CC1)c1ccc(cc1)c1ncccn1)CN1CC[C@H](C1)C(=O)Nc1ccc2c(c1)c(n[nH]2)c1ccncc1" . "HDAJDNHIBCDLQF-RUZDIDTESA-N" . "InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1" . "COCC(NC1CCC(CC1)Nc1ncc(c(c1)c1cccc(n1)NCC1(C#N)CCOCC1)Cl)C" . "COC[C@H](N[C@@H]1CC[C@H](CC1)Nc1ncc(c(c1)c1cccc(n1)NCC1(C#N)CCOCC1)Cl)C" . "XWQVQSXLXAXOPJ-NJDAHSKKSA-N" . "InChI=1S/C27H37ClN6O2/c1-19(16-35-2)32-20-6-8-21(9-7-20)33-26-14-22(23(28)15-30-26)24-4-3-5-25(34-24)31-18-27(17-29)10-12-36-13-11-27/h3-5,14-15,19-21,32H,6-13,16,18H2,1-2H3,(H,30,33)(H,31,34)/t19-,20-,21-/m1/s1" . "CN(CC=CC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(c1)Nc1ncc(c(n1)c1c[nH]c2c1cccc2)Cl)C" . "CN(C/C=C/C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(c1)Nc1ncc(c(n1)c1c[nH]c2c1cccc2)Cl)C" . "OBJNFLYHUXWUPF-IZZDOVSWSA-N" . "InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+" . "CCCCOc1c(cnc2c1cn[nH]2)C(=O)c1c(F)cc(cc1F)C" . "CCCCOc1c(cnc2c1cn[nH]2)C(=O)c1c(F)cc(cc1F)C" . "SCFMWQIQBVZOQR-UHFFFAOYSA-N" . "InChI=1S/C18H17F2N3O2/c1-3-4-5-25-17-11(8-21-18-12(17)9-22-23-18)16(24)15-13(19)6-10(2)7-14(15)20/h6-9H,3-5H2,1-2H3,(H,21,22,23)" . "Clc1cccc(c1)OCc1nn(c2c1c(N)ncn2)C1CCOCC1" . "Clc1cccc(c1)OCc1nn(c2c1c(N)ncn2)C1CCOCC1" . "AUMDBEHGJRZSOO-UHFFFAOYSA-N" . "InChI=1S/C17H18ClN5O2/c18-11-2-1-3-13(8-11)25-9-14-15-16(19)20-10-21-17(15)23(22-14)12-4-6-24-7-5-12/h1-3,8,10,12H,4-7,9H2,(H2,19,20,21)" . "COc1cc(OC)ccc1N(C(=O)Nc1c(C)cccc1C)c1ncnc(c1)Nc1ccc(cc1)N1CCN(CC1)C" . "COc1cc(OC)ccc1N(C(=O)Nc1c(C)cccc1C)c1ncnc(c1)Nc1ccc(cc1)N1CCN(CC1)C" . "UYUHRKLITDJEHB-UHFFFAOYSA-N" . "InChI=1S/C32H37N7O3/c1-22-7-6-8-23(2)31(22)36-32(40)39(27-14-13-26(41-4)19-28(27)42-5)30-20-29(33-21-34-30)35-24-9-11-25(12-10-24)38-17-15-37(3)16-18-38/h6-14,19-21H,15-18H2,1-5H3,(H,36,40)(H,33,34,35)" . "CCC(CNc1ccnc(n1)c1cc(ccc1O)c1cnn(c1)C)N" . "CC[C@H](CNc1ccnc(n1)c1cc(ccc1O)c1cnn(c1)C)N" . "SCJXQZZYGYLKJG-CQSZACIVSA-N" . "InChI=1S/C18H22N6O/c1-3-14(19)10-21-17-6-7-20-18(23-17)15-8-12(4-5-16(15)25)13-9-22-24(2)11-13/h4-9,11,14,25H,3,10,19H2,1-2H3,(H,20,21,23)/t14-/m1/s1" . "CCC(=O)Nc1cccc(c1)Oc1nc(ncc1Cl)Nc1ccc(cc1OC)N1CCN(CC1)C" . "CCC(=O)Nc1cccc(c1)Oc1nc(ncc1Cl)Nc1ccc(cc1OC)N1CCN(CC1)C" . "SDGJBAUIGHSMRI-UHFFFAOYSA-N" . "InChI=1S/C25H29ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h5-9,14-16H,4,10-13H2,1-3H3,(H,28,33)(H,27,29,30)" . "CN(CC1CCC(CC1)Nc1c(cnc2c1[nH]c(=C1C=C(Cl)C(=O)C(=C1)Cl)cc2)C(=O)C)C" . "CN(CC1CCC(CC1)Nc1c(cnc2c1[nH]c(=C1C=C(Cl)C(=O)C(=C1)Cl)cc2)C(=O)C)C" . "WZJUACDPTWDYSI-UHFFFAOYSA-N" . "InChI=1S/C25H28Cl2N4O2/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3/h8-12,15,17,30H,4-7,13H2,1-3H3,(H,28,29)" . "CC1CNc2c(C(=O)N1)sc1c2c2ccc(nc2cc1)c1ccc(nc1)C" . "C[C@@H]1CNc2c(C(=O)N1)sc1c2c2ccc(nc2cc1)c1ccc(nc1)C" . "CMWRPDHVGMHLSZ-GFCCVEGCSA-N" . "InChI=1S/C21H18N4OS/c1-11-3-4-13(10-22-11)15-6-5-14-16(25-15)7-8-17-18(14)19-20(27-17)21(26)24-12(2)9-23-19/h3-8,10,12,23H,9H2,1-2H3,(H,24,26)/t12-/m1/s1" . "COc1cc2[nH]c(=C3C=C(F)C=CC3=O)nc(c2cc1OC)NC1CNCC1C(O)(C)C" . "COc1cc2[nH]/c(=C/3/C=C(F)C=CC3=O)/nc(c2cc1OC)N[C@@H]1CNC[C@H]1C(O)(C)C" . "IXTQNANZDPZION-GSOOIIRJSA-N" . "InChI=1S/C23H27FN4O4/c1-23(2,30)15-10-25-11-17(15)27-21-13-8-19(31-3)20(32-4)9-16(13)26-22(28-21)14-7-12(24)5-6-18(14)29/h5-9,15,17,25-26,30H,10-11H2,1-4H3,(H,27,28)/b22-14-/t15-,17-/m1/s1" . "Cn1ncc(c1)c1nc2c3c1c[nH][nH]c(=O)c3cc(c2)NC(=O)C(C1CCCCC1)N" . "Cn1ncc(c1)c1nc2c3c1c[nH][nH]c(=O)c3cc(c2)NC(=O)[C@@H](C1CCCCC1)N" . "YFNWWNRZJGMDBR-LJQANCHMSA-N" . "InChI=1S/C22H25N7O2/c1-29-11-13(9-25-29)20-16-10-24-28-21(30)15-7-14(8-17(27-20)18(15)16)26-22(31)19(23)12-5-3-2-4-6-12/h7-12,19,24H,2-6,23H2,1H3,(H,26,31)(H,28,30)/t19-/m1/s1" . "O=C(c1nc(cnc1N)c1ccc(cc1)S(=O)(=O)C)Nc1ccccc1" . "O=C(c1nc(cnc1N)c1ccc(cc1)S(=O)(=O)C)Nc1ccccc1" . "DUIHHZKTCSNTGM-UHFFFAOYSA-N" . "InChI=1S/C18H16N4O3S/c1-26(24,25)14-9-7-12(8-10-14)15-11-20-17(19)16(22-15)18(23)21-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20)(H,21,23)" . "O=C(Nc1ccc2c(c1)Cc1c(S2)c(ccc1)c1cc(=O)cc(o1)N1CCOCC1)CN1CC(C)OC(C1)C" . "O=C(Nc1ccc2c(c1)Cc1c(S2)c(ccc1)c1cc(=O)cc(o1)N1CCOCC1)CN1C[C@H](C)O[C@@H](C1)C" . "SCELLOWTHJGVIC-BGYRXZFFSA-N" . "InChI=1S/C30H33N3O5S/c1-19-16-32(17-20(2)37-19)18-28(35)31-23-6-7-27-22(13-23)12-21-4-3-5-25(30(21)39-27)26-14-24(34)15-29(38-26)33-8-10-36-11-9-33/h3-7,13-15,19-20H,8-12,16-18H2,1-2H3,(H,31,35)/t19-,20+" . "OC(=O)c1ccc(cc1C1CCCC1)c1c[nH]c2c1cc(cn2)c1ccccc1" . "OC(=O)c1ccc(cc1C1CCCC1)c1c[nH]c2c1cc(cn2)c1ccccc1" . "WVSBGSNVCDAMCF-UHFFFAOYSA-N" . "InChI=1S/C25H22N2O2/c28-25(29)20-11-10-18(12-21(20)17-8-4-5-9-17)23-15-27-24-22(23)13-19(14-26-24)16-6-2-1-3-7-16/h1-3,6-7,10-15,17H,4-5,8-9H2,(H,26,27)(H,28,29)" . "NCC1CCC(CC1)C(=O)O" . "NC[C@@H]1CC[C@H](CC1)C(=O)O" . "GYDJEQRTZSCIOI-LJGSYFOKSA-N" . "InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7-" . "CN(CCCn1c(NC(=O)c2ccc3c(c2)n2C(C)CCNC(=O)c2c3)nc2c1cccc2)C" . "CN(CCCn1c(NC(=O)c2ccc3c(c2)n2[C@H](C)CCNC(=O)c2c3)nc2c1cccc2)C" . "ZHMXXVNQAFCXKK-QGZVFWFLSA-N" . "InChI=1S/C26H30N6O2/c1-17-11-12-27-25(34)23-15-18-9-10-19(16-22(18)32(17)23)24(33)29-26-28-20-7-4-5-8-21(20)31(26)14-6-13-30(2)3/h4-5,7-10,15-17H,6,11-14H2,1-3H3,(H,27,34)(H,28,29,33)/t17-/m1/s1" . "CC(CCN1C(C)C(=O)N(c2c1nc(nc2)Nc1cc(F)c(c(c1)F)O)C)C" . "CC(CCN1C(C)C(=O)N(c2c1nc(nc2)Nc1cc(F)c(c(c1)F)O)C)C" . "DTEKTGDVSARYDS-UHFFFAOYSA-N" . "InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24)" . "CCn1c(nc2c1cc(nc2)Oc1cccc(c1)NC(=O)c1ccc(cc1)OCCN1CCOCC1)c1nonc1N" . "CCn1c(nc2c1cc(nc2)Oc1cccc(c1)NC(=O)c1ccc(cc1)OCCN1CCOCC1)c1nonc1N" . "YOVNFNXUCOWYSG-UHFFFAOYSA-N" . "InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38)" . "CCc1cncnc1N1CCN(CC1)Cc1nc2c([nH]1)cc(cc2)C(F)(F)F" . "CCc1cncnc1N1CCN(CC1)Cc1nc2c([nH]1)cc(cc2)C(F)(F)F" . "FBLPQCAQRNSVHB-UHFFFAOYSA-N" . "InChI=1S/C19H21F3N6/c1-2-13-10-23-12-24-18(13)28-7-5-27(6-8-28)11-17-25-15-4-3-14(19(20,21)22)9-16(15)26-17/h3-4,9-10,12H,2,5-8,11H2,1H3,(H,25,26)" . "OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C" . "O[C@H](COc1ccc(cc1)CCOCC1CC1)CNC(C)C" . "NWIUTZDMDHAVTP-KRWDZBQOSA-N" . "InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3/t17-/m0/s1" . "COCCn1c(=O)sn(c1=O)CC" . "COCCn1c(=O)sn(c1=O)CC" . "NCTIMJFWDQCLDW-UHFFFAOYSA-N" . "InChI=1S/C7H12N2O3S/c1-3-9-6(10)8(4-5-12-2)7(11)13-9/h3-5H2,1-2H3" . "CCCCn1c(=O)sn(c1=O)CC" . "CCCCn1c(=O)sn(c1=O)CC" . "WTFFYZGCISALRI-UHFFFAOYSA-N" . "InChI=1S/C8H14N2O2S/c1-3-5-6-9-7(11)10(4-2)13-8(9)12/h3-6H2,1-2H3" . "Nc1cnccc1N" . "Nc1cnccc1N" . "OYTKINVCDFNREN-UHFFFAOYSA-N" . "InChI=1S/C5H7N3/c6-4-1-2-8-3-5(4)7/h1-3H,7H2,(H2,6,8)" . "CCC(C(NCC(CS)N)COC(C(=O)NC(C(=O)O)CCS(=O)(=O)C)Cc1ccccc1)C" . "CC[C@@H]([C@H](NC[C@H](CS)N)CO[C@H](C(=O)N[C@H](C(=O)O)CCS(=O)(=O)C)Cc1ccccc1)C" . "SIEXHGZWGJLLAC-OSTWSGHESA-N" . "InChI=1S/C23H39N3O6S2/c1-4-16(2)20(25-13-18(24)15-33)14-32-21(12-17-8-6-5-7-9-17)22(27)26-19(23(28)29)10-11-34(3,30)31/h5-9,16,18-21,25,33H,4,10-15,24H2,1-3H3,(H,26,27)(H,28,29)/t16-,18+,19-,20+,21-/m0/s1" . "Brc1ccc(cc1)Cn1cncc1Cn1cc(c(c1)c1cccc2c1cccc2)C(=O)N1CCOCC1" . "Brc1ccc(cc1)Cn1cncc1Cn1cc(c(c1)c1cccc2c1cccc2)C(=O)N1CCOCC1" . "GUUIRIMAQGOLHT-UHFFFAOYSA-N" . "InChI=1S/C30H27BrN4O2/c31-24-10-8-22(9-11-24)17-35-21-32-16-25(35)18-33-19-28(27-7-3-5-23-4-1-2-6-26(23)27)29(20-33)30(36)34-12-14-37-15-13-34/h1-11,16,19-21H,12-15,17-18H2" . "CN1CCN(CC1)C(=O)c1cn(cc1c1cccc2c1cccc2)Cc1cncn1CC1=CC2C(C=C1)OCO2" . "CN1CCN(CC1)C(=O)c1cn(cc1c1cccc2c1cccc2)Cc1cncn1CC1=CC2C(C=C1)OCO2" . "VZWZHIJGBPHRDI-UHFFFAOYSA-N" . "InChI=1S/C32H33N5O3/c1-34-11-13-36(14-12-34)32(38)29-20-35(19-28(29)27-8-4-6-24-5-2-3-7-26(24)27)18-25-16-33-21-37(25)17-23-9-10-30-31(15-23)40-22-39-30/h2-10,15-16,19-21,30-31H,11-14,17-18,22H2,1H3" . "FCCc1ccc(cc1C(=C)NC(C(=O)OC(C)C)CCSC)NCC1CCC(N1)SC(=O)c1cccnc1" . "FCCc1ccc(cc1C(=C)N[C@H](C(=O)OC(C)C)CCSC)NC[C@@H]1CC[C@@H](N1)SC(=O)c1cccnc1" . "GIJNHMGFNKZBIR-URORMMCBSA-N" . "InChI=1S/C29H39FN4O3S2/c1-19(2)37-28(35)26(12-15-38-4)33-20(3)25-16-23(8-7-21(25)11-13-30)32-18-24-9-10-27(34-24)39-29(36)22-6-5-14-31-17-22/h5-8,14,16-17,19,24,26-27,32-34H,3,9-13,15,18H2,1-2,4H3/t24-,26-,27-/m0/s1" . "N#Cc1ccc2c(c1)CN(C(CN2Cc1[nH]cnc1)Cc1ccccc1)S(=O)(=O)c1cccs1" . "N#Cc1ccc2c(c1)CN([C@@H](CN2Cc1[nH]cnc1)Cc1ccccc1)S(=O)(=O)c1cccs1" . "OLCWFLWEHWLBTO-HSZRJFAPSA-N" . "InChI=1S/C25H23N5O2S2/c26-13-20-8-9-24-21(11-20)15-30(34(31,32)25-7-4-10-33-25)23(12-19-5-2-1-3-6-19)17-29(24)16-22-14-27-18-28-22/h1-11,14,18,23H,12,15-17H2,(H,27,28)/t23-/m1/s1" . "Clc1ccc(cc1)C(c1cncn1C)(c1ccc2c(c1)c(cc(=O)n2C)c1cccc(c1)Cl)N" . "Clc1ccc(cc1)[C@](c1cncn1C)(c1ccc2c(c1)c(cc(=O)n2C)c1cccc(c1)Cl)N" . "PLHJCIYEEKOWNM-HHHXNRCGSA-N" . "InChI=1S/C27H22Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-16H,30H2,1-2H3/t27-/m1/s1" . "Clc1cc(Br)c2c(c1)CCc1c(C2C2CCN(CC2)C(=O)CC2CCN(CC2)C(=O)N)ncc(c1)Br" . "Clc1cc(Br)c2c(c1)CCc1c([C@@H]2C2CCN(CC2)C(=O)CC2CCN(CC2)C(=O)N)ncc(c1)Br" . "DHMTURDWPRKSOA-RUZDIDTESA-N" . "InChI=1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m1/s1" . "CN(CCSSCCNC(=O)C1CCN(CC1)C(=O)CSc1ccc(cc1)Cl)C" . "CN(CCSSCCNC(=O)C1CCN(CC1)C(=O)CSc1ccc(cc1)Cl)C" . "WEEYMZOUPNIHLG-UHFFFAOYSA-N" . "InChI=1S/C20H30ClN3O2S3/c1-23(2)12-14-29-28-13-9-22-20(26)16-7-10-24(11-8-16)19(25)15-27-18-5-3-17(21)4-6-18/h3-6,16H,7-15H2,1-2H3,(H,22,26)" . "COc1cc(Cl)c(cc1NCC(=O)N1CCC(CC1)NS(=O)(=O)C=C)I" . "COc1cc(Cl)c(cc1NCC(=O)N1CCC(CC1)NS(=O)(=O)C=C)I" . "ZGUSBCDCZNBNQT-UHFFFAOYSA-N" . "InChI=1S/C16H21ClIN3O4S/c1-3-26(23,24)20-11-4-6-21(7-5-11)16(22)10-19-14-9-13(18)12(17)8-15(14)25-2/h3,8-9,11,19-20H,1,4-7,10H2,2H3" . "CCCC(=O)NC1CCN(CC1)C(=O)COc1ccc(cc1Cl)Cl" . "CCCC(=O)NC1CCN(CC1)C(=O)COc1ccc(cc1Cl)Cl" . "XXJPOZZXKREAIA-UHFFFAOYSA-N" . "InChI=1S/C17H22Cl2N2O3/c1-2-3-16(22)20-13-6-8-21(9-7-13)17(23)11-24-15-5-4-12(18)10-14(15)19/h4-5,10,13H,2-3,6-9,11H2,1H3,(H,20,22)" . "C=CC(=O)N1CCN(CC1)C(=O)CNc1cc(I)c(cc1O)Cl" . "C=CC(=O)N1CCN(CC1)C(=O)CNc1cc(I)c(cc1O)Cl" . "JFIFBWVNHLXJFY-UHFFFAOYSA-N" . "InChI=1S/C15H17ClIN3O3/c1-2-14(22)19-3-5-20(6-4-19)15(23)9-18-12-8-11(17)10(16)7-13(12)21/h2,7-8,18,21H,1,3-6,9H2" . "O=C1NC(=O)C(=C1Nc1ccc(c(c1)Cl)O)c1ccccc1[N+](=O)[O-]" . "O=C1NC(=O)C(=C1Nc1ccc(c(c1)Cl)O)c1ccccc1[N+](=O)[O-]" . "PQCXVIPXISBFPN-UHFFFAOYSA-N" . "InChI=1S/C16H10ClN3O5/c17-10-7-8(5-6-12(10)21)18-14-13(15(22)19-16(14)23)9-3-1-2-4-11(9)20(24)25/h1-7,21H,(H2,18,19,22,23)" . "O=C1Nc2cccnc2c2c(C1)c1cc(Br)ccc1[nH]2" . "O=C1Nc2cccnc2c2c(C1)c1cc(Br)ccc1[nH]2" . "NTSBZVCEIVPKBJ-UHFFFAOYSA-N" . "InChI=1S/C15H10BrN3O/c16-8-3-4-11-9(6-8)10-7-13(20)18-12-2-1-5-17-15(12)14(10)19-11/h1-6,19H,7H2,(H,18,20)" . "Fc1ccc(cc1)CCNC1=C(C(=O)N(C1=O)C)c1c(C)[nH]c2c1cccc2" . "Fc1ccc(cc1)CCNC1=C(C(=O)N(C1=O)C)c1c(C)[nH]c2c1cccc2" . "ZKJAZFUFPPSFCO-UHFFFAOYSA-N" . "InChI=1S/C22H20FN3O2/c1-13-18(16-5-3-4-6-17(16)25-13)19-20(22(28)26(2)21(19)27)24-12-11-14-7-9-15(23)10-8-14/h3-10,24-25H,11-12H2,1-2H3" . "Clc1ccc(c(c1)Cl)c1nc(NCCNc2ccc(c(n2)N)[N+](=O)[O-])ncc1n1cncc1" . "Clc1ccc(c(c1)Cl)c1nc(NCCNc2ccc(c(n2)N)[N+](=O)[O-])ncc1n1cncc1" . "MDZCSIDIPDZWKL-UHFFFAOYSA-N" . "InChI=1S/C20H17Cl2N9O2/c21-12-1-2-13(14(22)9-12)18-16(30-8-7-24-11-30)10-27-20(29-18)26-6-5-25-17-4-3-15(31(32)33)19(23)28-17/h1-4,7-11H,5-6H2,(H3,23,25,28)(H,26,27,29)" . "Fc1ccccc1c1onc(n1)c1cccc(c1)C(=O)O" . "Fc1ccccc1c1onc(n1)c1cccc(c1)C(=O)O" . "OOUGLTULBSNHNF-UHFFFAOYSA-N" . "InChI=1S/C15H9FN2O3/c16-12-7-2-1-6-11(12)14-17-13(18-21-14)9-4-3-5-10(8-9)15(19)20/h1-8H,(H,19,20)" . "Clc1ccc(c(c1)Cl)C1=C(C(=O)NC1=O)c1cn(c2c1cccc2)C" . "Clc1ccc(c(c1)Cl)C1=C(C(=O)NC1=O)c1cn(c2c1cccc2)C" . "JCSGFHVFHSKIJH-UHFFFAOYSA-N" . "InChI=1S/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25)" . "N#Cc1ccc(nc1)NCCNc1ncc(c(n1)c1ccc(cc1Cl)Cl)c1ncc([nH]1)C" . "N#Cc1ccc(nc1)NCCNc1ncc(c(n1)c1ccc(cc1Cl)Cl)c1ncc([nH]1)C" . "AQGNHMOJWBZFQQ-UHFFFAOYSA-N" . "InChI=1S/C22H18Cl2N8/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32)" . "Nc1ncnc2c1c(nn2C1CCCC1)c1cnc2c(c1)cc[nH]2" . "Nc1ncnc2c1c(nn2C1CCCC1)c1cnc2c(c1)cc[nH]2" . "NVRXTLZYXZNATH-UHFFFAOYSA-N" . "InChI=1S/C17H17N7/c18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15/h5-9,12H,1-4H2,(H,19,20)(H2,18,21,22)" . "Brc1ccc2n(c1)c(C=NN(S(=O)(=O)c1cc(ccc1C)[N+](=O)[O-])C)cn2" . "Brc1ccc2n(c1)c(/C=N/N(S(=O)(=O)c1cc(ccc1C)[N+](=O)[O-])C)cn2" . "QTHCAAFKVUWAFI-DJKKODMXSA-N" . "InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+" . "CCN1CCN(CC1)CC(=O)Nc1ccc(c2c1c1ccccc1s2)c1cccc2c1oc(cc2=O)N1CCOCC1" . "CCN1CCN(CC1)CC(=O)Nc1ccc(c2c1c1ccccc1s2)c1cccc2c1oc(cc2=O)N1CCOCC1" . "AATCBLYHOUOCTO-UHFFFAOYSA-N" . "InChI=1S/C33H34N4O4S/c1-2-35-12-14-36(15-13-35)21-29(39)34-26-11-10-23(33-31(26)25-6-3-4-9-28(25)42-33)22-7-5-8-24-27(38)20-30(41-32(22)24)37-16-18-40-19-17-37/h3-11,20H,2,12-19,21H2,1H3,(H,34,39)" . "O=c1cc(oc2c1cccc2c1cccc2c1sc1c2cccc1)N1CCOCC1" . "O=c1cc(oc2c1cccc2c1cccc2c1sc1c2cccc1)N1CCOCC1" . "JAMULYFATHSZJM-UHFFFAOYSA-N" . "InChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2" . "CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1" . "CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1" . "BYWWNRBKPCPJMG-UHFFFAOYSA-N" . "InChI=1S/C20H31N3O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)27(24,25)23-20-22-21-17-26-20/h13-17H,2-12H2,1H3,(H,22,23)" . "O=C(c1cc(c(cc1O)Cl)S(=O)(=O)N)Nc1c(C)cccc1C" . "O=C(c1cc(c(cc1O)Cl)S(=O)(=O)N)Nc1c(C)cccc1C" . "MTZBBNMLMNBNJL-UHFFFAOYSA-N" . "InChI=1S/C15H15ClN2O4S/c1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23(17,21)22)11(16)7-12(10)19/h3-7,19H,1-2H3,(H,18,20)(H2,17,21,22)" . "CNc1nc(cc(n1)c1ccc2c(c1)[nH]nc2N)N1CC(CCC1C)C(=O)NC1CCCCC1" . "CNc1nc(cc(n1)c1ccc2c(c1)[nH]nc2N)N1C[C@H](CC[C@H]1C)C(=O)NC1CCCCC1" . "QLPHOXTXAKOFMU-WBVHZDCISA-N" . "InChI=1S/C25H34N8O/c1-15-8-9-17(24(34)28-18-6-4-3-5-7-18)14-33(15)22-13-20(29-25(27-2)30-22)16-10-11-19-21(12-16)31-32-23(19)26/h10-13,15,17-18H,3-9,14H2,1-2H3,(H,28,34)(H3,26,31,32)(H,27,29,30)/t15-,17+/m1/s1" . "O=C(Nc1cc(nn1c1ccccc1)C)Nc1ccc(c(c1)F)F" . "O=C(Nc1cc(nn1c1ccccc1)C)Nc1ccc(c(c1)F)F" . "IEKSMUSSYJUQMY-UHFFFAOYSA-N" . "InChI=1S/C17H14F2N4O/c1-11-9-16(23(22-11)13-5-3-2-4-6-13)21-17(24)20-12-7-8-14(18)15(19)10-12/h2-10H,1H3,(H2,20,21,24)" . "O=C(N1CCCC1)Nc1cccc(c1)Nc1ncc(c(n1)NCCc1cnc[nH]1)Br" . "O=C(N1CCCC1)Nc1cccc(c1)Nc1ncc(c(n1)NCCc1cnc[nH]1)Br" . "DMMILYKXNCVKOJ-UHFFFAOYSA-N" . "InChI=1S/C20H23BrN8O/c21-17-12-24-19(28-18(17)23-7-6-16-11-22-13-25-16)26-14-4-3-5-15(10-14)27-20(30)29-8-1-2-9-29/h3-5,10-13H,1-2,6-9H2,(H,22,25)(H,27,30)(H2,23,24,26,28)" . "NCC(=O)Nc1ccc(cc1)n1nc(cc1c1ccc2c(c1)ccc1c2cccc1)C(F)(F)F" . "NCC(=O)Nc1ccc(cc1)n1nc(cc1c1ccc2c(c1)ccc1c2cccc1)C(F)(F)F" . "YULUCECVQOCQFQ-UHFFFAOYSA-N" . "InChI=1S/C26H19F3N4O/c27-26(28,29)24-14-23(33(32-24)20-10-8-19(9-11-20)31-25(34)15-30)18-7-12-22-17(13-18)6-5-16-3-1-2-4-21(16)22/h1-14H,15,30H2,(H,31,34)" . "CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)n1c(=O)ccc2c1c1cc(ccc1nc2)c1cnc2c(c1)cccc2" . "CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)n1c(=O)ccc2c1c1cc(ccc1nc2)c1cnc2c(c1)cccc2" . "AKCRNFFTGXBONI-UHFFFAOYSA-N" . "InChI=1S/C35H28F3N5O2/c1-2-32(44)42-15-13-41(14-16-42)31-11-9-26(19-28(31)35(36,37)38)43-33(45)12-8-24-20-40-30-10-7-22(18-27(30)34(24)43)25-17-23-5-3-4-6-29(23)39-21-25/h3-12,17-21H,2,13-16H2,1H3" . "CNCc1ccc(cc1)c1noc(c1)c1nc(cnc1N)c1ccc(cc1)S(=O)(=O)C(C)C" . "CNCc1ccc(cc1)c1noc(c1)c1nc(cnc1N)c1ccc(cc1)S(=O)(=O)C(C)C" . "JZCWLJDSIRUGIN-UHFFFAOYSA-N" . "InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27)" . "CC(=CCNCCNC1C2CC3CC1CC(C2)C3)CCC=C(C)C" . "C/C(=C/CNCCNC1C2CC3CC1CC(C2)C3)/CCC=C(C)C" . "JFIBVDBTCDTBRH-REZTVBANSA-N" . "InChI=1S/C22H38N2/c1-16(2)5-4-6-17(3)7-8-23-9-10-24-22-20-12-18-11-19(14-20)15-21(22)13-18/h5,7,18-24H,4,6,8-15H2,1-3H3/b17-7+" . "FCC(CC(=O)O)(CCOP(=O)(OP(=O)(O)O)O)O" . "FC[C@](CC(=O)O)(CCOP(=O)(OP(=O)(O)O)O)O" . "YIGLDWRZXXHIGZ-ZCFIWIBFSA-N" . "InChI=1S/C6H13FO10P2/c7-4-6(10,3-5(8)9)1-2-16-19(14,15)17-18(11,12)13/h10H,1-4H2,(H,8,9)(H,14,15)(H2,11,12,13)/t6-/m1/s1" . "OC(=O)CC(CP(=O)(CCc1c(Cl)cc(cc1OCc1ccccc1)Cl)O)O" . "OC(=O)C[C@@H](CP(=O)(CCc1c(Cl)cc(cc1OCc1ccccc1)Cl)O)O" . "XKZCNQAYFRBCKR-HNNXBMFYSA-N" . "InChI=1S/C19H21Cl2O6P/c20-14-8-17(21)16(6-7-28(25,26)12-15(22)10-19(23)24)18(9-14)27-11-13-4-2-1-3-5-13/h1-5,8-9,15,22H,6-7,10-12H2,(H,23,24)(H,25,26)/t15-/m0/s1" . "OC(CC(CC(=O)O)O)CCc1c(Cl)cc(cc1OCc1ccccc1)Cl" . "O[C@@H](C[C@H](CC(=O)O)O)CCc1c(Cl)cc(cc1OCc1ccccc1)Cl" . "VWKZOIOUHUHQKZ-HZPDHXFCSA-N" . "InChI=1S/C20H22Cl2O5/c21-14-8-18(22)17(7-6-15(23)10-16(24)11-20(25)26)19(9-14)27-12-13-4-2-1-3-5-13/h1-5,8-9,15-16,23-24H,6-7,10-12H2,(H,25,26)/t15-,16-/m1/s1" . "COc1ccc(cc1O)C=CC(=O)O" . "COc1ccc(cc1O)/C=C/C(=O)O" . "QURCVMIEKCOAJU-HWKANZROSA-N" . "InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+" . "OP(=O)(C(P(=O)(O)O)(COc1cccc(c1)c1cccc(c1)c1ccccc1)O)O" . "OP(=O)(C(P(=O)(O)O)(COc1cccc(c1)c1cccc(c1)c1ccccc1)O)O" . "NWIARQRYIRVYCM-UHFFFAOYSA-N" . "InChI=1S/C20H20O8P2/c21-20(29(22,23)24,30(25,26)27)14-28-19-11-5-10-18(13-19)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27)" . "OC(P(=O)(O)O)(P(=O)(O)O)Cc1cccc(c1)c1cccc(c1)c1ccccc1" . "OC(P(=O)(O)O)(P(=O)(O)O)Cc1cccc(c1)c1cccc(c1)c1ccccc1" . "YXQQNSYZOQHKHD-UHFFFAOYSA-N" . "InChI=1S/C20H20O7P2/c21-20(28(22,23)24,29(25,26)27)14-15-6-4-9-17(12-15)19-11-5-10-18(13-19)16-7-2-1-3-8-16/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27)" . "OP(=O)(C(P(=O)(O)O)(Cc1cccc(c1)c1cccc2c1oc1c2cccc1)O)O" . "OP(=O)(C(P(=O)(O)O)(Cc1cccc(c1)c1cccc2c1oc1c2cccc1)O)O" . "BYVXAUZOTGITQZ-UHFFFAOYSA-N" . "InChI=1S/C20H18O8P2/c21-20(29(22,23)24,30(25,26)27)12-13-5-3-6-14(11-13)15-8-4-9-17-16-7-1-2-10-18(16)28-19(15)17/h1-11,21H,12H2,(H2,22,23,24)(H2,25,26,27)" . "OP(=O)(C(P(=O)(O)O)(Cc1cccc(c1)c1cccc(c1)NS(=O)(=O)c1ccc2c(c1)cccc2)O)O" . "OP(=O)(C(P(=O)(O)O)(Cc1cccc(c1)c1cccc(c1)NS(=O)(=O)c1ccc2c(c1)cccc2)O)O" . "MZVWVRVNMXTDAK-UHFFFAOYSA-N" . "InChI=1S/C24H23NO9P2S/c26-24(35(27,28)29,36(30,31)32)16-17-5-3-8-19(13-17)20-9-4-10-22(14-20)25-37(33,34)23-12-11-18-6-1-2-7-21(18)15-23/h1-15,25-26H,16H2,(H2,27,28,29)(H2,30,31,32)" . "COC1CC(CCC1n1cnnn1)CC(C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(CCC2C)CC(OC)C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)C1)C)C)O)OC)C)C)C)C" . "CO[C@@H]1C[C@@H](CC[C@@H]1n1cnnn1)C[C@H]([C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H](CC[C@H]2C)C[C@H](OC)/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C1)C)/C)O)OC)C)C)/C)C" . "CGTADGCBEXYWNE-JUKNQOCSSA-N" . "InChI=1S/C52H79N5O12/c1-31-16-12-11-13-17-32(2)43(65-8)28-39-21-19-37(7)52(64,69-39)49(61)50(62)56-23-15-14-18-41(56)51(63)68-44(34(4)26-38-20-22-40(45(27-38)66-9)57-30-53-54-55-57)29-42(58)33(3)25-36(6)47(60)48(67-10)46(59)35(5)24-31/h11-13,16-17,25,30-31,33-35,37-41,43-45,47-48,60,64H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,32-17+,36-25+/t31-,33-,34-,35-,37-,38+,39+,40+,41+,43+,44+,45-,47-,48+,52-/m1/s1" . "Nc1ccc(cn1)c1ccc2c(c1)CN(CCO2)C(=O)c1ccc(c(c1C)F)S(=O)(=O)C" . "Nc1ccc(cn1)c1ccc2c(c1)CN(CCO2)C(=O)c1ccc(c(c1C)F)S(=O)(=O)C" . "LNFBAYSBVQBKFR-UHFFFAOYSA-N" . "InChI=1S/C23H22FN3O4S/c1-14-18(5-7-20(22(14)24)32(2,29)30)23(28)27-9-10-31-19-6-3-15(11-17(19)13-27)16-4-8-21(25)26-12-16/h3-8,11-12H,9-10,13H2,1-2H3,(H2,25,26)" . "O=C(C1CCCN1)Nc1ccc(cc1)c1ccnc(n1)Nc1ccc(cc1)N1CCOCC1" . "O=C([C@@H]1CCCN1)Nc1ccc(cc1)c1ccnc(n1)Nc1ccc(cc1)N1CCOCC1" . "ISOCDPQFIXDIMS-QHCPKHFHSA-N" . "InChI=1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)/t23-/m0/s1" . "Nc1ncc(nc1Nc1ccc2c(c1)cc[nH]2)c1ccncc1" . "Nc1ncc(nc1Nc1ccc2c(c1)cc[nH]2)c1ccncc1" . "JLRIJKVMMZEKDF-UHFFFAOYSA-N" . "InChI=1S/C17H14N6/c18-16-17(22-13-1-2-14-12(9-13)5-8-20-14)23-15(10-21-16)11-3-6-19-7-4-11/h1-10,20H,(H2,18,21)(H,22,23)" . "COC(=O)Nc1nc2c([nH]1)cc(cc2)C1(O)c2ccccc2C(=O)N1c1cc(Cl)ccc1C" . "COC(=O)Nc1nc2c([nH]1)cc(cc2)C1(O)c2ccccc2C(=O)N1c1cc(Cl)ccc1C" . "MMNNTJYFHUDSKL-UHFFFAOYSA-N" . "InChI=1S/C24H19ClN4O4/c1-13-7-9-15(25)12-20(13)29-21(30)16-5-3-4-6-17(16)24(29,32)14-8-10-18-19(11-14)27-22(26-18)28-23(31)33-2/h3-12,32H,1-2H3,(H2,26,27,28,31)" . "OC(=O)c1cc(cc2c1nc(n2Cc1cccc(c1C)C(F)(F)F)C)N1CCOCC1" . "OC(=O)c1cc(cc2c1nc(n2Cc1cccc(c1C)C(F)(F)F)C)N1CCOCC1" . "XTKLTGBKIDQGQL-UHFFFAOYSA-N" . "InChI=1S/C22H22F3N3O3/c1-13-15(4-3-5-18(13)22(23,24)25)12-28-14(2)26-20-17(21(29)30)10-16(11-19(20)28)27-6-8-31-9-7-27/h3-5,10-11H,6-9,12H2,1-2H3,(H,29,30)" . "C=CC(=O)Nc1cccc(c1)Nc1nc(ncc1C(F)(F)F)Nc1ccc(cc1OC)N1CCN(CC1)C(=O)C" . "C=CC(=O)Nc1cccc(c1)Nc1nc(ncc1C(F)(F)F)Nc1ccc(cc1OC)N1CCN(CC1)C(=O)C" . "HUFOZJXAKZVRNJ-UHFFFAOYSA-N" . "InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)" . "NC(=O)CC(C(=O)O)N" . "NC(=O)C[C@@H](C(=O)O)N" . "DCXYFEDJOCDNAF-REOHCLBHSA-N" . "InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1" . "FC(c1nc2c(n1c1nc(nc(n1)N1CCOCC1)N1CCOCC1)cccc2)F" . "FC(c1nc2c(n1c1nc(nc(n1)N1CCOCC1)N1CCOCC1)cccc2)F" . "HGVNLRPZOWWDKD-UHFFFAOYSA-N" . "InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2" . "COc1cc(OC)cc(c1)Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(c(c1)OC)C" . "COc1cc(OC)cc(c1)Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(c(c1)OC)C" . "HJSSPYJVWLTYHG-UHFFFAOYSA-N" . "InChI=1S/C31H29N5O6S/c1-19-9-10-20(15-28(19)42-4)31(37)33-21-11-13-25(14-12-21)43(38,39)36-30-29(34-26-7-5-6-8-27(26)35-30)32-22-16-23(40-2)18-24(17-22)41-3/h5-18H,1-4H3,(H,32,34)(H,33,37)(H,35,36)" . "Cc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccc2c(c1)nsn2" . "Cc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccc2c(c1)nsn2" . "MQMKRQLTIWPEDM-UHFFFAOYSA-N" . "InChI=1S/C21H16N6O2S2/c1-13-6-9-15(10-7-13)31(28,29)27-21-20(23-16-4-2-3-5-17(16)24-21)22-14-8-11-18-19(12-14)26-30-25-18/h2-12H,1H3,(H,22,23)(H,24,27)" . "Cn1ncc(c1)c1cnc2c(c1)c(=O)c1cc(ccc1cc2)NS(=O)(=O)N(CC1COCCO1)C" . "Cn1ncc(c1)c1cnc2c(c1)c(=O)c1cc(ccc1cc2)NS(=O)(=O)N(C[C@@H]1COCCO1)C" . "JGEBLDKNWBUGRZ-HXUWFJFHSA-N" . "InChI=1S/C24H25N5O5S/c1-28-13-18(12-26-28)17-9-22-23(25-11-17)6-4-16-3-5-19(10-21(16)24(22)30)27-35(31,32)29(2)14-20-15-33-7-8-34-20/h3-6,9-13,20,27H,7-8,14-15H2,1-2H3/t20-/m1/s1" . "Oc1ccc(cc1)C1COc2c(C1c1ccc(cc1)O)ccc(c2C)O" . "Oc1ccc(cc1)[C@@H]1COc2c([C@@H]1c1ccc(cc1)O)ccc(c2C)O" . "QVCAATSEPLQVBX-FPOVZHCZSA-N" . "InChI=1S/C22H20O4/c1-13-20(25)11-10-18-21(15-4-8-17(24)9-5-15)19(12-26-22(13)18)14-2-6-16(23)7-3-14/h2-11,19,21,23-25H,12H2,1H3/t19-,21-/m0/s1" . "O=C(Nc1cc(Br)c(cc1OCC1CNCCO1)C)Nc1cnc(cn1)C" . "O=C(Nc1cc(Br)c(cc1OC[C@@H]1CNCCO1)C)Nc1cnc(cn1)C" . "SYYBDNPGDKKJDU-ZDUSSCGKSA-N" . "InChI=1S/C18H22BrN5O3/c1-11-5-16(27-10-13-8-20-3-4-26-13)15(6-14(11)19)23-18(25)24-17-9-21-12(2)7-22-17/h5-7,9,13,20H,3-4,8,10H2,1-2H3,(H2,22,23,24,25)/t13-/m0/s1" . "Fc1ccc(cc1)c1nc([nH]c1c1ccc2c(n1)n(CC(C)(C)C)c(n2)N)C(C)(C)C" . "Fc1ccc(cc1)c1nc([nH]c1c1ccc2c(n1)n(CC(C)(C)C)c(n2)N)C(C)(C)C" . "XPPBBJCBDOEXDN-UHFFFAOYSA-N" . "InChI=1S/C24H29FN6/c1-23(2,3)13-31-20-17(28-22(31)26)12-11-16(27-20)19-18(14-7-9-15(25)10-8-14)29-21(30-19)24(4,5)6/h7-12H,13H2,1-6H3,(H2,26,28)(H,29,30)" . "Fc1cc2CN(CCn3c2c(c1)c(c3)C1=C(C(=O)NC1=O)c1cnc2n1cccc2)C(=O)N1CCCCC1" . "Fc1cc2CN(CCn3c2c(c1)c(c3)C1=C(C(=O)NC1=O)c1cnc2n1cccc2)C(=O)N1CCCCC1" . "HRJWTAWVFDCTGO-UHFFFAOYSA-N" . "InChI=1S/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37)" . "O=C(Cc1ccc(cn1)c1ccc(cc1)OCCN1CCOCC1)NCc1ccccc1" . "O=C(Cc1ccc(cn1)c1ccc(cc1)OCCN1CCOCC1)NCc1ccccc1" . "HUNGUWOZPQBXGX-UHFFFAOYSA-N" . "InChI=1S/C26H29N3O3/c30-26(28-19-21-4-2-1-3-5-21)18-24-9-6-23(20-27-24)22-7-10-25(11-8-22)32-17-14-29-12-15-31-16-13-29/h1-11,20H,12-19H2,(H,28,30)" . "CN1CCN(CC1)C1CCN(CC1)C(=O)Nc1nccc(c1)Oc1ccc(c(c1)F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F" . "CN1CCN(CC1)C1CCN(CC1)C(=O)Nc1nccc(c1)Oc1ccc(c(c1)F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F" . "UQRCJCNVNUFYDX-UHFFFAOYSA-N" . "InChI=1S/C33H37F2N7O4/c1-40-16-18-41(19-17-40)24-9-14-42(15-10-24)32(45)39-29-21-26(8-13-36-29)46-25-6-7-28(27(35)20-25)38-31(44)33(11-12-33)30(43)37-23-4-2-22(34)3-5-23/h2-8,13,20-21,24H,9-12,14-19H2,1H3,(H,37,43)(H,38,44)(H,36,39,45)" . "NC(=O)C1CCCN1C(=O)Nc1nc(c(s1)c1ccnc(c1)C(C(F)(F)F)(C)C)C" . "NC(=O)[C@@H]1CCCN1C(=O)Nc1nc(c(s1)c1ccnc(c1)C(C(F)(F)F)(C)C)C" . "STUWGJZDJHPWGZ-LBPRGKRZSA-N" . "InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1" . "CCn1c(cc2c1nc(Nc1nn(c(c1)C)C)c1c2n(C)cn1)C(=O)N(C1CC1)C1CC1" . "CCn1c(cc2c1nc(Nc1nn(c(c1)C)C)c1c2n(C)cn1)C(=O)N(C1CC1)C1CC1" . "JCINBYQJBYJGDM-UHFFFAOYSA-N" . "InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27)" . "CCOc1ccn(c(=O)c1C(=O)Nc1ccc(c(c1)F)Oc1ccnc(c1Cl)N)c1ccc(cc1)F" . "CCOc1ccn(c(=O)c1C(=O)Nc1ccc(c(c1)F)Oc1ccnc(c1Cl)N)c1ccc(cc1)F" . "VNBRGSXVFBYQNN-UHFFFAOYSA-N" . "InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)" . "Fc1ccc(cn1)NC(=O)C1(C)CCCN1c1nc(Nc2n[nH]c(c2)C2CC2)c2n(n1)ccc2" . "Fc1ccc(cn1)NC(=O)[C@]1(C)CCCN1c1nc(Nc2n[nH]c(c2)C2CC2)c2n(n1)ccc2" . "LQVXSNNAFNGRAH-QHCPKHFHSA-N" . "InChI=1S/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/m0/s1" . "COc1ccc(cn1)c1ccc2c(c1)c1c(cn2)n(c(=O)n1c1ccc(c(c1)C(F)(F)F)N1CCNCC1)C" . "COc1ccc(cn1)c1ccc2c(c1)c1c(cn2)n(c(=O)n1c1ccc(c(c1)C(F)(F)F)N1CCNCC1)C" . "BMMXYEBLEBULND-UHFFFAOYSA-N" . "InChI=1S/C28H25F3N6O2/c1-35-24-16-33-22-6-3-17(18-4-8-25(39-2)34-15-18)13-20(22)26(24)37(27(35)38)19-5-7-23(21(14-19)28(29,30)31)36-11-9-32-10-12-36/h3-8,13-16,32H,9-12H2,1-2H3" . "N#CC(c1ccc(cc1)n1c(=O)n(c2c1c1cc(ccc1nc2)c1cnc2c(c1)cccc2)C)(C)C" . "N#CC(c1ccc(cc1)n1c(=O)n(c2c1c1cc(ccc1nc2)c1cnc2c(c1)cccc2)C)(C)C" . "JOGKUKXHTYWRGZ-UHFFFAOYSA-N" . "InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3" . "O=C(Nc1c[nH][nH]c1=C1N=c2c(=N1)ccc(c2)CN1CCOCC1)NC1CC1" . "O=C(Nc1c[nH][nH]/c/1=C/1/N=c2c(=N1)ccc(c2)CN1CCOCC1)NC1CC1" . "VRXXZJLHPWWXIX-ZCXUNETKSA-N" . "InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13,20,25H,2-3,5-8,11H2,(H2,21,24,27)/b18-17-" . "O=C1NC(=O)C(C1c1c[nH]c2c1cccc2)c1cn2c3c1cccc3CCC2" . "O=C1NC(=O)[C@H]([C@@H]1c1c[nH]c2c1cccc2)c1cn2c3c1cccc3CCC2" . "UCEQXRCJXIVODC-PMACEKPBSA-N" . "InChI=1S/C23H19N3O2/c27-22-19(16-11-24-18-9-2-1-7-14(16)18)20(23(28)25-22)17-12-26-10-4-6-13-5-3-8-15(17)21(13)26/h1-3,5,7-9,11-12,19-20,24H,4,6,10H2,(H,25,27,28)/t19-,20-/m0/s1" . "CCC1N(C(C)C)c2nc(ncc2N(C1=O)C)Nc1ccc(cc1OC)C(=O)NC1CCC(CC1)N1CCN(CC1)CC1CC1" . "CC[C@H]1N(C(C)C)c2nc(ncc2N(C1=O)C)Nc1ccc(cc1OC)C(=O)N[C@@H]1CC[C@H](CC1)N1CCN(CC1)CC1CC1" . "SXNJFOWDRLKDSF-STROYTFGSA-N" . "InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25-,26-,28-/m1/s1" . "Clc1cc2NC(CC3CCCC3)NS(=O)(=O)c2cc1S(=O)(=O)N" . "Clc1cc2NC(CC3CCCC3)NS(=O)(=O)c2cc1S(=O)(=O)N" . "BKYKPTRYDKTTJY-UHFFFAOYSA-N" . "InChI=1S/C13H18ClN3O4S2/c14-9-6-10-12(7-11(9)22(15,18)19)23(20,21)17-13(16-10)5-8-3-1-2-4-8/h6-8,13,16-17H,1-5H2,(H2,15,18,19)" . "CN1CCN(CC1)c1nc2ccccc2c(n1)C1=C(C(=O)NC1=O)c1c[nH]c2c1cccc2" . "CN1CCN(CC1)c1nc2ccccc2c(n1)C1=C(C(=O)NC1=O)c1c[nH]c2c1cccc2" . "OAVGBZOFDPFGPJ-UHFFFAOYSA-N" . "InChI=1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)" . "O=c1[nH]nc2n1ccc1c2cc(c(n1)c1ccc(cc1)C1(N)CCC1)c1ccccc1" . "O=c1[nH]nc2n1ccc1c2cc(c(n1)c1ccc(cc1)C1(N)CCC1)c1ccccc1" . "ULDXWLCXEDXJGE-UHFFFAOYSA-N" . "InChI=1S/C25H21N5O/c26-25(12-4-13-25)18-9-7-17(8-10-18)22-19(16-5-2-1-3-6-16)15-20-21(27-22)11-14-30-23(20)28-29-24(30)31/h1-3,5-11,14-15H,4,12-13,26H2,(H,29,31)" . "COc1cc2c(cc1OCC1CC3C(C1)CN(C3)C)ncnc2Nc1ccc(c(c1F)Cl)Cl" . "COc1cc2c(cc1OCC1C[C@@H]3[C@H](C1)CN(C3)C)ncnc2Nc1ccc(c(c1F)Cl)Cl" . "HVXKQKFEHMGHSL-GOOCMWNKSA-N" . "InChI=1S/C24H25Cl2FN4O2/c1-31-9-14-5-13(6-15(14)10-31)11-33-21-8-19-16(7-20(21)32-2)24(29-12-28-19)30-18-4-3-17(25)22(26)23(18)27/h3-4,7-8,12-15H,5-6,9-11H2,1-2H3,(H,28,29,30)/t13?,14-,15+" . "Cn1ncc(c1)c1cnn2c1nc(C1CCCNC1)c(c2N)Br" . "Cn1ncc(c1)c1cnn2c1nc(C1CCCNC1)c(c2N)Br" . "GMIZZEXBPRLVIV-UHFFFAOYSA-N" . "InChI=1S/C15H18BrN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h6-9,18H,2-5,17H2,1H3" . "OCC(CC1(CC1)S(=O)(=O)Nc1c(OC)cc(c(c1Nc1ccc(cc1F)I)F)F)O" . "OC[C@H](CC1(CC1)S(=O)(=O)Nc1c(OC)cc(c(c1Nc1ccc(cc1F)I)F)F)O" . "RDSACQWTXKSHJT-NSHDSACASA-N" . "InChI=1S/C19H20F3IN2O5S/c1-30-15-7-13(21)16(22)18(24-14-3-2-10(23)6-12(14)20)17(15)25-31(28,29)19(4-5-19)8-11(27)9-26/h2-3,6-7,11,24-27H,4-5,8-9H2,1H3/t11-/m0/s1" . "COCC1OC(=O)C(=CN(CC=C)CC=C)C2=C(C(=O)C3=C(C12C)C(OC(=O)C)CC1(C3CCC1=O)C)O" . "COC[C@H]1OC(=O)/C(=C/N(CC=C)CC=C)/C2=C(C(=O)C3=C([C@@]12C)[C@H](OC(=O)C)C[C@]1([C@H]3CCC1=O)C)O" . "QIUASFSNWYMDFS-NILGECQDSA-N" . "InChI=1S/C29H35NO8/c1-7-11-30(12-8-2)14-17-23-26(34)25(33)22-18-9-10-20(32)28(18,4)13-19(37-16(3)31)24(22)29(23,5)21(15-36-6)38-27(17)35/h7-8,14,18-19,21,34H,1-2,9-13,15H2,3-6H3/b17-14+/t18-,19+,21+,28-,29-/m0/s1" . "O=C(Nc1ccc(cc1)c1nc(nc(n1)N1CCOCC1)N1CCOCC1)Nc1ccc(cc1)C(=O)N1CCC(CC1)N(C)C" . "O=C(Nc1ccc(cc1)c1nc(nc(n1)N1CCOCC1)N1CCOCC1)Nc1ccc(cc1)C(=O)N1CCC(CC1)N(C)C" . "DWZAEMINVBZMHQ-UHFFFAOYSA-N" . "InChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43)" . "CONC(=O)c1ccccc1Nc1cc(ncc1Cl)Nc1cc(nn1C(C)C)C" . "CONC(=O)c1ccccc1Nc1cc(ncc1Cl)Nc1cc(nn1C(C)C)C" . "BVAHPPKGOOJSPU-UHFFFAOYSA-N" . "InChI=1S/C20H23ClN6O2/c1-12(2)27-19(9-13(3)25-27)24-18-10-17(15(21)11-22-18)23-16-8-6-5-7-14(16)20(28)26-29-4/h5-12H,1-4H3,(H,26,28)(H2,22,23,24)" . "OCC(C1OC(=O)C(=C1O)O)O" . "OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O" . "CIWBSHSKHKDKBQ-JLAZNSOCSA-N" . "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1" . "CNC(=O)c1nn(c2c1C(C)(C)Cc1c2nc(nc1)Nc1ccc(cc1)N1CCN(CC1)C)C" . "CNC(=O)c1nn(c2c1C(C)(C)Cc1c2nc(nc1)Nc1ccc(cc1)N1CCN(CC1)C)C" . "RXZMYLDMFYNEIM-UHFFFAOYSA-N" . "InChI=1S/C25H32N8O/c1-25(2)14-16-15-27-24(29-20(16)22-19(25)21(23(34)26-3)30-32(22)5)28-17-6-8-18(9-7-17)33-12-10-31(4)11-13-33/h6-9,15H,10-14H2,1-5H3,(H,26,34)(H,27,28,29)" . "COC(C(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)c1ccccc1" . "CO[C@@H](C(=O)N1Cc2c(C1)[nH]nc2NC(=O)c1ccc(cc1)N1CCN(CC1)C)c1ccccc1" . "XKFTZKGMDDZMJI-HSZRJFAPSA-N" . "InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1" . "OCCOC1CCC(CC1)n1c(=O)c(cc2c1nc(N)nc2C)c1ccc(nc1)OC" . "OCCO[C@@H]1CC[C@H](CC1)n1c(=O)c(cc2c1nc(N)nc2C)c1ccc(nc1)OC" . "XDLYKKIQACFMJG-WKILWMFISA-N" . "InChI=1S/C22H27N5O4/c1-13-17-11-18(14-3-8-19(30-2)24-12-14)21(29)27(20(17)26-22(23)25-13)15-4-6-16(7-5-15)31-10-9-28/h3,8,11-12,15-16,28H,4-7,9-10H2,1-2H3,(H2,23,25,26)/t15-,16-" . "OCC(CONC(=O)c1ccc(c(c1Nc1ccc(cc1F)I)F)F)O" . "OC[C@H](CONC(=O)c1ccc(c(c1Nc1ccc(cc1F)I)F)F)O" . "SUDAHWBOROXANE-SECBINFHSA-N" . "InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1" . "OCC1N(C)CCC1c1c(O)cc(c2c1oc(cc2=O)c1ccccc1Cl)O" . "OC[C@@H]1N(C)CC[C@H]1c1c(O)cc(c2c1oc(cc2=O)c1ccccc1Cl)O" . "QLUYMIVVAYRECT-OCCSQVGLSA-N" . "InChI=1S/C21H20ClNO5/c1-23-7-6-12(14(23)10-24)19-15(25)8-16(26)20-17(27)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,14,24-26H,6-7,10H2,1H3/t12-,14+/m1/s1" . "Nc1oc2c(n1)cc(cc2)c1nn(c2c1c(N)ncn2)C(C)C" . "Nc1oc2c(n1)cc(cc2)c1nn(c2c1c(N)ncn2)C(C)C" . "GYLDXIAOMVERTK-UHFFFAOYSA-N" . "InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19)" . "S=C(N1CCN(CC1)c1ncnc2c1oc1c2cccc1)NCc1ccc2c(c1)OCO2" . "S=C(N1CCN(CC1)c1ncnc2c1oc1c2cccc1)NCc1ccc2c(c1)OCO2" . "FOFDIMHVKGYHRU-UHFFFAOYSA-N" . "InChI=1S/C23H21N5O3S/c32-23(24-12-15-5-6-18-19(11-15)30-14-29-18)28-9-7-27(8-10-28)22-21-20(25-13-26-22)16-3-1-2-4-17(16)31-21/h1-6,11,13H,7-10,12,14H2,(H,24,32)" . "O=C(N1CCN2C(C1)C(OC2=O)(c1ccccc1)c1ccccc1)NCCN1CCCCC1" . "O=C(N1CCN2C(C1)C(OC2=O)(c1ccccc1)c1ccccc1)NCCN1CCCCC1" . "JJDDRYMIPIEXKX-UHFFFAOYSA-N" . "InChI=1S/C26H32N4O3/c31-24(27-14-17-28-15-8-3-9-16-28)29-18-19-30-23(20-29)26(33-25(30)32,21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-2,4-7,10-13,23H,3,8-9,14-20H2,(H,27,31)" . "CSCCC(CSSCC(C(=O)NCC(=O)OC(OC(=O)OCC)C)Cc1ccccc1)N" . "CSCCC(CSSCC(C(=O)NCC(=O)OC(OC(=O)OCC)C)Cc1ccccc1)N" . "BJCNUZJDFWFVBY-UHFFFAOYSA-N" . "InChI=1S/C22H34N2O6S3/c1-4-28-22(27)30-16(2)29-20(25)13-24-21(26)18(12-17-8-6-5-7-9-17)14-32-33-15-19(23)10-11-31-3/h5-9,16,18-19H,4,10-15,23H2,1-3H3,(H,24,26)" . "NCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)C(NC(=O)C(NC(=O)CCC1CCCCC1)CC(C)C)CCC(C)C" . "NC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC1CCCCC1)CC(C)C)CCC(C)C" . "KAFZOLYKKCWUBI-HPMAGDRPSA-N" . "InChI=1S/C40H72N12O8/c1-23(2)14-16-27(48-37(58)29(20-24(3)4)47-33(54)17-15-25-10-6-5-7-11-25)36(57)51-30(22-41)39(60)52-19-9-13-31(52)38(59)49-26(12-8-18-46-40(44)45)35(56)50-28(34(43)55)21-32(42)53/h23-31H,5-22,41H2,1-4H3,(H2,42,53)(H2,43,55)(H,47,54)(H,48,58)(H,49,59)(H,50,56)(H,51,57)(H4,44,45,46)/t26-,27-,28-,29-,30-,31-/m0/s1" . "NC(=N)NCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)C(NC(=O)C(Cc1ccc2c(c1)cccc2)NC(=O)CCc1cccnc1)Cc1ccccc1" . "NC(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc2c(c1)cccc2)NC(=O)CCc1cccnc1)Cc1ccccc1" . "HPJGEESDHAUUQR-SKGSPYGFSA-N" . "InChI=1S/C51H67N15O8/c52-42(67)29-38(44(53)69)64-45(70)36(15-7-23-59-50(54)55)62-48(73)41-17-9-25-66(41)49(74)37(16-8-24-60-51(56)57)63-47(72)40(27-31-10-2-1-3-11-31)65-46(71)39(61-43(68)21-19-32-12-6-22-58-30-32)28-33-18-20-34-13-4-5-14-35(34)26-33/h1-6,10-14,18,20,22,26,30,36-41H,7-9,15-17,19,21,23-25,27-29H2,(H2,52,67)(H2,53,69)(H,61,68)(H,62,73)(H,63,72)(H,64,70)(H,65,71)(H4,54,55,59)(H4,56,57,60)/t36-,37-,38-,39-,40-,41-/m0/s1" . "CCC(=O)NCCCc1cc(OC)ccc1Cc1cccc(c1)OC" . "CCC(=O)NCCCc1cc(OC)ccc1Cc1cccc(c1)OC" . "GJRIGACGWLYZAO-UHFFFAOYSA-N" . "InChI=1S/C21H27NO3/c1-4-21(23)22-12-6-8-17-15-20(25-3)11-10-18(17)13-16-7-5-9-19(14-16)24-2/h5,7,9-11,14-15H,4,6,8,12-13H2,1-3H3,(H,22,23)" . "COc1ccc(cc1)N(c1ccccc1)CCNC(=O)C" . "COc1ccc(cc1)N(c1ccccc1)CCNC(=O)C" . "PWTCGLHUMIIRML-UHFFFAOYSA-N" . "InChI=1S/C17H20N2O2/c1-14(20)18-12-13-19(15-6-4-3-5-7-15)16-8-10-17(21-2)11-9-16/h3-11H,12-13H2,1-2H3,(H,18,20)" . "COc1ccc2c(c1)c(CCNC(=O)C)cc(c2)CCC(C)C" . "COc1ccc2c(c1)c(CCNC(=O)C)cc(c2)CCC(C)C" . "DGWFQLYAVLGONI-UHFFFAOYSA-N" . "InChI=1S/C20H27NO2/c1-14(2)5-6-16-11-17-7-8-19(23-4)13-20(17)18(12-16)9-10-21-15(3)22/h7-8,11-14H,5-6,9-10H2,1-4H3,(H,21,22)" . "COc1ccc2c(c1)c(CCNC(=O)C)cc(c2)c1cccc(c1)CO" . "COc1ccc2c(c1)c(CCNC(=O)C)cc(c2)c1cccc(c1)CO" . "BHDVJMSEODZSTD-UHFFFAOYSA-N" . "InChI=1S/C22H23NO3/c1-15(25)23-9-8-19-12-20(17-5-3-4-16(10-17)14-24)11-18-6-7-21(26-2)13-22(18)19/h3-7,10-13,24H,8-9,14H2,1-2H3,(H,23,25)" . "OCCONC(=O)c1cc2n(C)cnc2c(c1Nc1ccc(cc1F)Br)F" . "OCCONC(=O)c1cc2n(C)cnc2c(c1Nc1ccc(cc1F)Br)F" . "ACWZRVQXLIRSDF-UHFFFAOYSA-N" . "InChI=1S/C17H15BrF2N4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)" . "Cc1cc2c(C(=O)NCC(c3ccccc3)C)c(O)c(cc2c(c1c1c(C)cc2c(c1O)cc(c(c2C(=O)NCC(c1ccccc1)C)O)O)O)O" . "Cc1cc2c(C(=O)NC[C@@H](c3ccccc3)C)c(O)c(cc2c(c1c1c(C)cc2c(c1O)cc(c(c2C(=O)NC[C@@H](c1ccccc1)C)O)O)O)O" . "RAYNZUHYMMLQQA-ZEQRLZLVSA-N" . "InChI=1S/C42H40N2O8/c1-21-15-27-29(17-31(45)39(49)35(27)41(51)43-19-23(3)25-11-7-5-8-12-25)37(47)33(21)34-22(2)16-28-30(38(34)48)18-32(46)40(50)36(28)42(52)44-20-24(4)26-13-9-6-10-14-26/h5-18,23-24,45-50H,19-20H2,1-4H3,(H,43,51)(H,44,52)/t23-,24-/m0/s1" . "CNc1nc(ncc1C(F)(F)F)Nc1cnn(c1Cl)C1CCN(CC1F)C1COC1" . "CNc1nc(ncc1C(F)(F)F)Nc1cnn(c1Cl)[C@H]1CCN(C[C@@H]1F)C1COC1" . "PUXPEQJKNAWNQA-AAEUAGOBSA-N" . "InChI=1S/C17H20ClF4N7O/c1-23-15-10(17(20,21)22)4-24-16(27-15)26-12-5-25-29(14(12)18)13-2-3-28(6-11(13)19)9-7-30-8-9/h4-5,9,11,13H,2-3,6-8H2,1H3,(H2,23,24,26,27)/t11-,13-/m0/s1" . "OCCn1nc(c2c1c1nc(ncc1CC2)Nc1cc(ccc1OC(F)(F)F)N1CCN(CC1)C)C(=O)N" . "OCCn1nc(c2c1c1nc(ncc1CC2)Nc1cc(ccc1OC(F)(F)F)N1CCN(CC1)C)C(=O)N" . "QHLVBNKYJGBCQJ-UHFFFAOYSA-N" . "InChI=1S/C24H27F3N8O3/c1-33-6-8-34(9-7-33)15-3-5-18(38-24(25,26)27)17(12-15)30-23-29-13-14-2-4-16-20(22(28)37)32-35(10-11-36)21(16)19(14)31-23/h3,5,12-13,36H,2,4,6-11H2,1H3,(H2,28,37)(H,29,30,31)" . "N#CC(=NNc1cccc(c1)Cl)C(=O)c1noc(c1)C(C)(C)C" . "N#C/C(=N/Nc1cccc(c1)Cl)/C(=O)c1noc(c1)C(C)(C)C" . "DXEATJQGQHDURZ-DEDYPNTBSA-N" . "InChI=1S/C16H15ClN4O2/c1-16(2,3)14-8-12(21-23-14)15(22)13(9-18)20-19-11-6-4-5-10(17)7-11/h4-8,19H,1-3H3/b20-13+" . "CCOC(=O)NCCCC(=O)NCCc1ccccc1" . "CCOC(=O)NCCCC(=O)NCCc1ccccc1" . "HTOYBIILVCHURC-UHFFFAOYSA-N" . "InChI=1S/C15H22N2O3/c1-2-20-15(19)17-11-6-9-14(18)16-12-10-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,18)(H,17,19)" . "O=C(c1ccccc1O)C=CN1CC2CC1CN2c1ccccn1" . "O=C(c1ccccc1O)/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1" . "INAICWLVUAKEPB-QSTFCLMHSA-N" . "InChI=1S/C19H19N3O2/c23-17-6-2-1-5-16(17)18(24)8-10-21-12-15-11-14(21)13-22(15)19-7-3-4-9-20-19/h1-10,14-15,23H,11-13H2/b10-8+/t14-,15-/m1/s1" . "N#Cc1ccc2c(c1)COC2(CCCN(C)C)c1ccc(cc1)F" . "N#Cc1ccc2c(c1)COC2(CCCN(C)C)c1ccc(cc1)F" . "WSEQXVZVJXJVFP-UHFFFAOYSA-N" . "InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3" . "N#Cc1cc(sc1Sc1c(Cl)cncc1Cl)C(=O)Nc1ccc(cc1)S(=O)(=O)C" . "N#Cc1cc(sc1Sc1c(Cl)cncc1Cl)C(=O)Nc1ccc(cc1)S(=O)(=O)C" . "GUDJFFQZIISQJB-UHFFFAOYSA-N" . "InChI=1S/C18H11Cl2N3O3S3/c1-29(25,26)12-4-2-11(3-5-12)23-17(24)15-6-10(7-21)18(27-15)28-16-13(19)8-22-9-14(16)20/h2-6,8-9H,1H3,(H,23,24)" . "CNC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(c1ccccc1)c1ccccc1)C(=O)NCCCCCCNC(=O)C(C(c1ccccc1)c1ccccc1)NC(=O)C1CCCN1C(=O)C(C1CCCCC1)NC(=O)C(NC)C)C1CCCCC1)C" . "CN[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCCCCCCNC(=O)[C@H](C(c1ccccc1)c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C1CCCCC1)NC(=O)[C@@H](NC)C)C1CCCCC1)C" . "DPXJXGNXKOVBJV-YLOPQIBLSA-N" . "InChI=1S/C70H96N10O8/c1-47(71-3)63(81)75-59(53-37-21-11-22-38-53)69(87)79-45-27-41-55(79)65(83)77-61(57(49-29-13-7-14-30-49)50-31-15-8-16-32-50)67(85)73-43-25-5-6-26-44-74-68(86)62(58(51-33-17-9-18-34-51)52-35-19-10-20-36-52)78-66(84)56-42-28-46-80(56)70(88)60(54-39-23-12-24-40-54)76-64(82)48(2)72-4/h7-10,13-20,29-36,47-48,53-62,71-72H,5-6,11-12,21-28,37-46H2,1-4H3,(H,73,85)(H,74,86)(H,75,81)(H,76,82)(H,77,83)(H,78,84)/t47-,48-,55-,56-,59-,60-,61-,62-/m0/s1" . "O=C(C1CC1)Nc1nc2n(n1)c(ccc2)c1ccc(cc1)CN1CCS(=O)(=O)CC1" . "O=C(C1CC1)Nc1nc2n(n1)c(ccc2)c1ccc(cc1)CN1CCS(=O)(=O)CC1" . "RIJLVEAXPNLDTC-UHFFFAOYSA-N" . "InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)" . "CNC(C(=O)NC(C(=O)N1CCCC1c1scc(n1)C(=O)c1ccc(cc1)F)C1CCCCC1)C" . "CN[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1c1scc(n1)C(=O)c1ccc(cc1)F)C1CCCCC1)C" . "UFPFGVNKHCLJJO-SSKFGXFMSA-N" . "InChI=1S/C26H33FN4O3S/c1-16(28-2)24(33)30-22(17-7-4-3-5-8-17)26(34)31-14-6-9-21(31)25-29-20(15-35-25)23(32)18-10-12-19(27)13-11-18/h10-13,15-17,21-22,28H,3-9,14H2,1-2H3,(H,30,33)/t16-,21-,22-/m0/s1" . "ONC(=O)CCCCCCSc1ccc2c(c1)cccc2" . "ONC(=O)CCCCCCSc1ccc2c(c1)cccc2" . "KPNNXHVGOKRBEF-UHFFFAOYSA-N" . "InChI=1S/C17H21NO2S/c19-17(18-20)9-3-1-2-6-12-21-16-11-10-14-7-4-5-8-15(14)13-16/h4-5,7-8,10-11,13,20H,1-3,6,9,12H2,(H,18,19)" . "OC(=O)CN(C(=N)N)C" . "OC(=O)CN(C(=N)N)C" . "CVSVTCORWBXHQV-UHFFFAOYSA-N" . "InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)" . "CNC(=O)c1ccc(cc1)Nc1ncc(c(n1)NCc1nccnc1N(S(=O)(=O)C)C)C(F)(F)F" . "CNC(=O)c1ccc(cc1)Nc1ncc(c(n1)NCc1nccnc1N(S(=O)(=O)C)C)C(F)(F)F" . "FWLMVFUGMHIOAA-UHFFFAOYSA-N" . "InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)" . "Clc1ccc(c(c1)F)Cc1c(C)nc2n1nc(Nc1n[nH]c(c1)C)cc2CN1CCOCC1" . "Clc1ccc(c(c1)F)Cc1c(C)nc2n1nc(Nc1n[nH]c(c1)C)cc2CN1CCOCC1" . "SQSZANZGUXWJEA-UHFFFAOYSA-N" . "InChI=1S/C23H25ClFN7O/c1-14-9-21(29-28-14)27-22-11-17(13-31-5-7-33-8-6-31)23-26-15(2)20(32(23)30-22)10-16-3-4-18(24)12-19(16)25/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H2,27,28,29,30)" . "COC(=O)NC(CNc1nccc(n1)c1cn(nc1c1cc(Cl)cc(c1F)NS(=O)(=O)C)C(C)C)C" . "COC(=O)N[C@H](CNc1nccc(n1)c1cn(nc1c1cc(Cl)cc(c1F)NS(=O)(=O)C)C(C)C)C" . "CMJCXYNUCSMDBY-ZDUSSCGKSA-N" . "InChI=1S/C22H27ClFN7O4S/c1-12(2)31-11-16(17-6-7-25-21(28-17)26-10-13(3)27-22(32)35-4)20(29-31)15-8-14(23)9-18(19(15)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m0/s1" . "CNC1CC2OC(C1OC)(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3C(NC1=O)O" . "CN[C@@H]1C[C@H]2O[C@]([C@@H]1OC)(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3[C@H](NC1=O)O" . "PBCZSGKMGDDXIJ-HQCWYSJUSA-N" . "InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1" . "CN(C1CCN(C1)Cc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(c(c1)Nc1nccc(n1)c1cncnc1)C)C" . "CN([C@H]1CCN(C1)Cc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(c(c1)Nc1nccc(n1)c1cncnc1)C)C" . "ZGBAJMQHJDFTQJ-DEOSSOPVSA-N" . "InChI=1S/C30H31F3N8O/c1-19-4-7-23(13-27(19)39-29-36-10-8-26(38-29)22-14-34-18-35-15-22)37-28(42)20-5-6-21(25(12-20)30(31,32)33)16-41-11-9-24(17-41)40(2)3/h4-8,10,12-15,18,24H,9,11,16-17H2,1-3H3,(H,37,42)(H,36,38,39)/t24-/m0/s1" . "CNC(=O)c1ccc(cc1F)c1cnc2n(n1)c(cn2)Cc1ccc2c(c1)cccn2" . "CNC(=O)c1ccc(cc1F)c1cnc2n(n1)c(cn2)Cc1ccc2c(c1)cccn2" . "LIOLIMKSCNQPLV-UHFFFAOYSA-N" . "InChI=1S/C23H17FN6O/c1-25-22(31)18-6-5-16(11-19(18)24)21-13-28-23-27-12-17(30(23)29-21)10-14-4-7-20-15(9-14)3-2-8-26-20/h2-9,11-13H,10H2,1H3,(H,25,31)" . "C=CC(=O)N1CCC(CC1)Oc1cc2c(ncnc2cc1OC)Nc1ccc(c(c1F)Cl)Cl" . "C=CC(=O)N1CCC(CC1)Oc1cc2c(ncnc2cc1OC)Nc1ccc(c(c1F)Cl)Cl" . "LPFWVDIFUFFKJU-UHFFFAOYSA-N" . "InChI=1S/C23H21Cl2FN4O3/c1-3-20(31)30-8-6-13(7-9-30)33-19-10-14-17(11-18(19)32-2)27-12-28-23(14)29-16-5-4-15(24)21(25)22(16)26/h3-5,10-13H,1,6-9H2,2H3,(H,27,28,29)" . "NCC(NC(=O)c1oc(c(c1)c1c(Cl)cnn1C)Cl)Cc1ccc(c(c1)F)F" . "NC[C@@H](NC(=O)c1oc(c(c1)c1c(Cl)cnn1C)Cl)Cc1ccc(c(c1)F)F" . "AXTAPYRUEKNRBA-JTQLQIEISA-N" . "InChI=1S/C18H16Cl2F2N4O2/c1-26-16(12(19)8-24-26)11-6-15(28-17(11)20)18(27)25-10(7-23)4-9-2-3-13(21)14(22)5-9/h2-3,5-6,8,10H,4,7,23H2,1H3,(H,25,27)/t10-/m0/s1" . "CN(C(c1ccccc1)CCOc1cccc2c1cccc2)C" . "CN([C@H](c1ccccc1)CCOc1cccc2c1cccc2)C" . "USRHYDPUVLEVMC-FQEVSTJZSA-N" . "InChI=1S/C21H23NO/c1-22(2)20(18-10-4-3-5-11-18)15-16-23-21-14-8-12-17-9-6-7-13-19(17)21/h3-14,20H,15-16H2,1-2H3/t20-/m0/s1" . "OCC1CNCC(C1O)O" . "OC[C@H]1CNC[C@H]([C@@H]1O)O" . "QPYJXFZUIJOGNX-HSUXUTPPSA-N" . "InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1" . "OC(=O)CC(C(=O)NC(P(=O)(CC(C(=O)NC(C(=O)N)C)C)O)Cc1ccccc1)NC(=O)C" . "OC(=O)C[C@@H](C(=O)N[C@H](P(=O)(C[C@H](C(=O)N[C@H](C(=O)N)C)C)O)Cc1ccccc1)NC(=O)C" . "OCAZUTUOYLAIOA-OSRSDYAFSA-N" . "InChI=1S/C21H31N4O8P/c1-12(20(30)23-13(2)19(22)29)11-34(32,33)17(9-15-7-5-4-6-8-15)25-21(31)16(10-18(27)28)24-14(3)26/h4-8,12-13,16-17H,9-11H2,1-3H3,(H2,22,29)(H,23,30)(H,24,26)(H,25,31)(H,27,28)(H,32,33)/t12-,13+,16+,17-/m1/s1" . "NCCCCC(C(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)NC(C(=O)O)CCc1ccccc1" . "NCCCC[C@@H](C(=O)N[C@@H](C(=O)O)Cc1c[nH]c2c1cccc2)N[C@H](C(=O)O)CCc1ccccc1" . "JXNGDSIPMBNTNL-KMDXXIMOSA-N" . "InChI=1S/C27H34N4O5/c28-15-7-6-12-22(30-23(26(33)34)14-13-18-8-2-1-3-9-18)25(32)31-24(27(35)36)16-19-17-29-21-11-5-4-10-20(19)21/h1-5,8-11,17,22-24,29-30H,6-7,12-16,28H2,(H,31,32)(H,33,34)(H,35,36)/t22-,23-,24+/m0/s1" . "OC(=O)CC(c1ncc(s1)C)c1cc(Cl)cc(c1)c1cccc(c1)CC(=O)N" . "OC(=O)CC(c1ncc(s1)C)c1cc(Cl)cc(c1)c1cccc(c1)CC(=O)N" . "SRVXSISGYBMIHR-UHFFFAOYSA-N" . "InChI=1S/C21H19ClN2O3S/c1-12-11-24-21(28-12)18(10-20(26)27)16-7-15(8-17(22)9-16)14-4-2-3-13(5-14)6-19(23)25/h2-5,7-9,11,18H,6,10H2,1H3,(H2,23,25)(H,26,27)" . "OC(=O)CC(c1ccccc1C)NC(=O)c1[nH]n(c(=O)c1)c1ccccc1F" . "OC(=O)C[C@@H](c1ccccc1C)NC(=O)c1[nH]n(c(=O)c1)c1ccccc1F" . "DGGLFHJMXJUSDG-HNNXBMFYSA-N" . "InChI=1S/C20H18FN3O4/c1-12-6-2-3-7-13(12)15(11-19(26)27)22-20(28)16-10-18(25)24(23-16)17-9-5-4-8-14(17)21/h2-10,15,23H,11H2,1H3,(H,22,28)(H,26,27)/t15-/m0/s1" . "NCC(NC(=O)c1sc(c(c1)c1c(Cl)cnn1C)Cl)Cc1cccc(c1)F" . "NC[C@@H](NC(=O)c1sc(c(c1)c1c(Cl)cnn1C)Cl)Cc1cccc(c1)F" . "AFJRDFWMXUECEW-LBPRGKRZSA-N" . "InChI=1S/C18H17Cl2FN4OS/c1-25-16(14(19)9-23-25)13-7-15(27-17(13)20)18(26)24-12(8-22)6-10-3-2-4-11(21)5-10/h2-5,7,9,12H,6,8,22H2,1H3,(H,24,26)/t12-/m0/s1" . "O1CCN(CC1)c1ccc(cc1)Nc1nc(cn2c1ncc2)c1ccc2c(c1)[nH]nc2" . "O1CCN(CC1)c1ccc(cc1)Nc1nc(cn2c1ncc2)c1ccc2c(c1)[nH]nc2" . "XSMSNFMDVXXHGJ-UHFFFAOYSA-N" . "InChI=1S/C23H21N7O/c1-2-17-14-25-28-20(17)13-16(1)21-15-30-8-7-24-23(30)22(27-21)26-18-3-5-19(6-4-18)29-9-11-31-12-10-29/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27)" . "O=C(N1CCN(CC1)Cc1sc2c(c1C)nc(nc2N1CCOCC1)c1cnc(nc1)N)C(O)C" . "O=C(N1CCN(CC1)Cc1sc2c(c1C)nc(nc2N1CCOCC1)c1cnc(nc1)N)[C@@H](O)C" . "YOVVNQKCSKSHKT-HNNXBMFYSA-N" . "InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m0/s1" . "CC(NCC(C(=O)N1CCN(CC1)c1ncnc2c1C(C)CC2O)c1ccc(cc1)Cl)C" . "CC(NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2c1[C@H](C)C[C@H]2O)c1ccc(cc1)Cl)C" . "GRZXWCHAXNAUHY-NSISKUIASA-N" . "InChI=1S/C24H32ClN5O2/c1-15(2)26-13-19(17-4-6-18(25)7-5-17)24(32)30-10-8-29(9-11-30)23-21-16(3)12-20(31)22(21)27-14-28-23/h4-7,14-16,19-20,26,31H,8-13H2,1-3H3/t16-,19-,20-/m1/s1" . "CCN(CCN1CCc2c(C1=O)c(C)c([nH]2)C=C1C(=O)Nc2c1cc(F)cc2)CC" . "CCN(CCN1CCc2c(C1=O)c(C)c([nH]2)/C=C/1/C(=O)Nc2c1cc(F)cc2)CC" . "GKEYKDOLBLYGRB-LGMDPLHJSA-N" . "InChI=1S/C23H27FN4O2/c1-4-27(5-2)10-11-28-9-8-19-21(23(28)30)14(3)20(25-19)13-17-16-12-15(24)6-7-18(16)26-22(17)29/h6-7,12-13,25H,4-5,8-11H2,1-3H3,(H,26,29)/b17-13-" . "CN1CCN(CC1)c1nc(C=Cc2ccccc2)nc(c1)Nc1n[nH]c(c1)C" . "CN1CCN(CC1)c1nc(/C=C/c2ccccc2)nc(c1)Nc1n[nH]c(c1)C" . "BLQYVHBZHAISJM-CMDGGOBGSA-N" . "InChI=1S/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)/b9-8+" . "COC1CC(CCC1OP(=O)(C)C)CC(C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(CCC2C)CC(OC)C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)C1)C)C)O)OC)C)C)C)C" . "CO[C@@H]1C[C@@H](CC[C@H]1OP(=O)(C)C)C[C@H]([C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H](CC[C@H]2C)C[C@H](OC)/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C1)C)/C)O)OC)C)C)/C)C" . "BUROJSBIWGDYCN-GAUTUEMISA-N" . "InChI=1S/C53H84NO14P/c1-32-18-14-13-15-19-33(2)44(63-8)30-40-23-21-38(7)53(61,67-40)50(58)51(59)54-25-17-16-20-41(54)52(60)66-45(35(4)28-39-22-24-43(46(29-39)64-9)68-69(11,12)62)31-42(55)34(3)27-37(6)48(57)49(65-10)47(56)36(5)26-32/h13-15,18-19,27,32,34-36,38-41,43-46,48-49,57,61H,16-17,20-26,28-31H2,1-12H3/b15-13+,18-14+,33-19+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1" . "OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1" . "OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1" . "HWHLPVGTWGOCJO-UHFFFAOYSA-N" . "InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2" . "COCC(=O)NCC=Cc1ccc2c(c1)c(ncn2)Nc1ccc(c(c1)C)Oc1ccc(nc1)C" . "COCC(=O)NC/C=C/c1ccc2c(c1)c(ncn2)Nc1ccc(c(c1)C)Oc1ccc(nc1)C" . "LLVZBTWPGQVVLW-SNAWJCMRSA-N" . "InChI=1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)/b5-4+" . "c1cnc2c(c1)CC1(O2)CN2CCC1CC2" . "c1cnc2c(c1)C[C@]1(O2)CN2CCC1CC2" . "OCKIPDMKGPYYJS-ZDUSSCGKSA-N" . "InChI=1S/C13H16N2O/c1-2-10-8-13(16-12(10)14-5-1)9-15-6-3-11(13)4-7-15/h1-2,5,11H,3-4,6-9H2/t13-/m0/s1" . "NC1CCN(CC1)c1cccc2c1nc(cc2)n1cnc2c1ccc(c2)OCC1(C)COC1" . "NC1CCN(CC1)c1cccc2c1nc(cc2)n1cnc2c1ccc(c2)OCC1(C)COC1" . "DYNHJHQFHQTFTP-UHFFFAOYSA-N" . "InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3" . "O=C(Nc1snc(c1C(=O)N)OCc1c(F)cc(cc1F)Br)NCCCCN1CCCC1" . "O=C(Nc1snc(c1C(=O)N)OCc1c(F)cc(cc1F)Br)NCCCCN1CCCC1" . "HXHAJRMTJXHJJZ-UHFFFAOYSA-N" . "InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)" . "COc1cc2c(ncnc2cc1OC)Oc1cccc(c1)NC(=O)Nc1noc(c1)C(C(F)(F)F)(C)C" . "COc1cc2c(ncnc2cc1OC)Oc1cccc(c1)NC(=O)Nc1noc(c1)C(C(F)(F)F)(C)C" . "DKNUPRMJNUQNHR-UHFFFAOYSA-N" . "InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,32,33)" . "COc1cccc(c1)Nc1ncnn2c1c(cc2)CN1CCC(C(C1)O)N" . "COc1cccc(c1)Nc1ncnn2c1c(cc2)CN1CC[C@H]([C@@H](C1)O)N" . "CSGQVNMSRKWUSH-IAGOWNOFSA-N" . "InChI=1S/C19H24N6O2/c1-27-15-4-2-3-14(9-15)23-19-18-13(5-8-25(18)22-12-21-19)10-24-7-6-16(20)17(26)11-24/h2-5,8-9,12,16-17,26H,6-7,10-11,20H2,1H3,(H,21,22,23)/t16-,17-/m1/s1" . "Nc1ncc(c(c1)C(F)(F)F)c1cc(nc(n1)N1CCOCC1)N1CCOCC1" . "Nc1ncc(c(c1)C(F)(F)F)c1cc(nc(n1)N1CCOCC1)N1CCOCC1" . "CWHUFRVAEUJCEF-UHFFFAOYSA-N" . "InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)" . "OC1C(O)C(O)C(C(C1O)O)O" . "O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)O)O" . "CDAISMWEOUEBRE-GPIVLXJGSA-N" . "InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-" . "CCN1CCN(CC1)c1ccc(cc1)Nc1ncnc(c1)N(C(=O)Nc1c(Cl)c(OC)cc(c1Cl)OC)C" . "CCN1CCN(CC1)c1ccc(cc1)Nc1ncnc(c1)N(C(=O)Nc1c(Cl)c(OC)cc(c1Cl)OC)C" . "QADPYRIHXKWUSV-UHFFFAOYSA-N" . "InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)" . "O=C(NC(C)(C)C)NC(C(C)(C)C)C(=O)N1CC2C(C1C(=O)NC(C(=O)C(=O)N)CC1CCC1)C2(C)C" . "O=C(NC(C)(C)C)N[C@@H](C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(C(=O)C(=O)N)CC1CCC1)C2(C)C" . "LHHCSNFAOIFYRV-DOVBMPENSA-N" . "InChI=1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,20+/m0/s1" . "COc1c(OCCCN2CCOCC2)ccc2c1nc(=NC(=O)c1cnc(nc1)N)n1c2NCC1" . "COc1c(OCCCN2CCOCC2)ccc2c1nc(=NC(=O)c1cnc(nc1)N)n1c2NCC1" . "MWYDSXOGIBMAET-UHFFFAOYSA-N" . "InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14,25H,2,5-12H2,1H3,(H2,24,26,27)" . "CC(C(Oc1nc(ncc1C(F)(F)F)Nc1ccc(cc1)S(=O)(=N)C1CC1)C)O" . "C[C@H]([C@H](Oc1nc(ncc1C(F)(F)F)Nc1ccc(cc1)S(=O)(=N)C1CC1)C)O" . "UELYDGOOJPRWGF-MFOHZAOFSA-N" . "InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29?/m1/s1" . "COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O" . "COc1cc(cc(c1OC)OC)[C@H]1[C@@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O" . "YJGVMLPVUAXIQN-HAEOHBJNSA-N" . "InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19+,20-/m0/s1" . "OCC(CNC(=O)c1ccncc1Nc1ccc(cc1F)I)O" . "OC[C@H](CNC(=O)c1ccncc1Nc1ccc(cc1F)I)O" . "VIUAUNHCRHHYNE-JTQLQIEISA-N" . "InChI=1S/C15H15FIN3O3/c16-12-5-9(17)1-2-13(12)20-14-7-18-4-3-11(14)15(23)19-6-10(22)8-21/h1-5,7,10,20-22H,6,8H2,(H,19,23)/t10-/m0/s1" . "CCCC(C(=O)C(=O)NC1CC1)NC(=O)C1C2CCCC2CN1C(=O)C(C(C)(C)C)NC(=O)C(C1CCCCC1)NC(=O)c1nccnc1" . "CCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C1CCCCC1)NC(=O)c1nccnc1" . "BBAWEDCPNXPBQM-GDEBMMAJSA-N" . "InChI=1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,30+/m0/s1" . "OC(=O)CNS(=O)(=O)c1ccc(cc1)c1ccccc1" . "OC(=O)CNS(=O)(=O)c1ccc(cc1)c1ccccc1" . "ZIAFXLGSGMQYPL-UHFFFAOYSA-N" . "InChI=1S/C14H13NO4S/c16-14(17)10-15-20(18,19)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17)" . "ClC(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)Cl" . "ClC(C(c1ccc(cc1)O)c1ccc(cc1)O)(Cl)Cl" . "IUGDILGOLSSKNE-UHFFFAOYSA-N" . "InChI=1S/C14H11Cl3O2/c15-14(16,17)13(9-1-5-11(18)6-2-9)10-3-7-12(19)8-4-10/h1-8,13,18-19H" . "FCC1(COCC(=N1)N)c1cc(ccc1F)NC(=O)c1ncc(cc1C)Cl" . "FC[C@]1(COCC(=N1)N)c1cc(ccc1F)NC(=O)c1ncc(cc1C)Cl" . "NQNLROFWOGGJGK-SFHVURJKSA-N" . "InChI=1S/C18H17ClF2N4O2/c1-10-4-11(19)6-23-16(10)17(26)24-12-2-3-14(21)13(5-12)18(8-20)9-27-7-15(22)25-18/h2-6H,7-9H2,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1" . "COc1ccc(cc1)S(=O)(=O)N(C(=O)C(NC(=O)C1CCCN1C(=O)OCc1ccccc1)CC(C)C)CC(=O)O" . "COc1ccc(cc1)S(=O)(=O)N(C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)CC(C)C)CC(=O)O" . "QXROXWFFCFLRBZ-ZEQRLZLVSA-N" . "InChI=1S/C28H35N3O9S/c1-19(2)16-23(27(35)31(17-25(32)33)41(37,38)22-13-11-21(39-3)12-14-22)29-26(34)24-10-7-15-30(24)28(36)40-18-20-8-5-4-6-9-20/h4-6,8-9,11-14,19,23-24H,7,10,15-18H2,1-3H3,(H,29,34)(H,32,33)/t23-,24-/m0/s1" . "OC(=O)CCC(C(=O)NC(C(=O)NC(C(=O)N)C)CCC(=O)O)NC(=O)C(NC(=O)CN(S(=O)(=O)c1ccc(cc1)c1ccccc1)C(=O)C(NC(=O)C1CCCN1C(=O)OCc1ccccc1)CC(C)C)CC(C)C" . "OC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)C)CCC(=O)O)NC(=O)[C@@H](NC(=O)CN(S(=O)(=O)c1ccc(cc1)c1ccccc1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)CC(C)C)CC(C)C" . "XGNIOZCAZTWXMZ-WCHFFXHOSA-N" . "InChI=1S/C52H68N8O15S/c1-31(2)27-40(49(69)57-39(23-25-45(64)65)48(68)56-38(22-24-44(62)63)47(67)54-33(5)46(53)66)55-43(61)29-60(76(73,74)37-20-18-36(19-21-37)35-15-10-7-11-16-35)51(71)41(28-32(3)4)58-50(70)42-17-12-26-59(42)52(72)75-30-34-13-8-6-9-14-34/h6-11,13-16,18-21,31-33,38-42H,12,17,22-30H2,1-5H3,(H2,53,66)(H,54,67)(H,55,61)(H,56,68)(H,57,69)(H,58,70)(H,62,63)(H,64,65)/t33-,38-,39-,40-,41-,42-/m0/s1" . "OCc1ccc(c2c1oc1ccc(cc1c2=O)OS(=O)(=O)c1ccc(cc1)C)NCCN(C)C" . "OCc1ccc(c2c1oc1ccc(cc1c2=O)OS(=O)(=O)c1ccc(cc1)C)NCCN(C)C" . "SEVKFSGZVZFIMA-UHFFFAOYSA-N" . "InChI=1S/C25H26N2O6S/c1-16-4-8-19(9-5-16)34(30,31)33-18-7-11-22-20(14-18)24(29)23-21(26-12-13-27(2)3)10-6-17(15-28)25(23)32-22/h4-11,14,26,28H,12-13,15H2,1-3H3" . "Clc1cccc(c1NC1=NCCN1)Cl" . "Clc1cccc(c1NC1=NCCN1)Cl" . "GJSURZIOUXUGAL-UHFFFAOYSA-N" . "InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)" . "CC(CC(C(=O)O)NC(C(=O)O)Cc1cncn1Cc1cc(Cl)cc(c1)Cl)C" . "CC(C[C@@H](C(=O)O)N[C@H](C(=O)O)Cc1cncn1Cc1cc(Cl)cc(c1)Cl)C" . "NTCCRGGIJNDEAB-IRXDYDNUSA-N" . "InChI=1S/C19H23Cl2N3O4/c1-11(2)3-16(18(25)26)23-17(19(27)28)7-15-8-22-10-24(15)9-12-4-13(20)6-14(21)5-12/h4-6,8,10-11,16-17,23H,3,7,9H2,1-2H3,(H,25,26)(H,27,28)/t16-,17-/m0/s1" . "CC(c1ccc(cc1)O)(c1ccc(cc1)O)C" . "CC(c1ccc(cc1)O)(c1ccc(cc1)O)C" . "IISBACLAFKSPIT-UHFFFAOYSA-N" . "InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3" . "Cn1ncc2c1c1cc(NCc3ccc(cc3)C(C)(C)C)ccc1N(S2(=O)=O)C" . "Cn1ncc2c1c1cc(NCc3ccc(cc3)C(C)(C)C)ccc1N(S2(=O)=O)C" . "AVFJKWOKOZKXRX-UHFFFAOYSA-N" . "InChI=1S/C22H26N4O2S/c1-22(2,3)16-8-6-15(7-9-16)13-23-17-10-11-19-18(12-17)21-20(14-24-25(21)4)29(27,28)26(19)5/h6-12,14,23H,13H2,1-5H3" . "CCOC(=O)c1ccc(cc1)OC(=O)CCCCCN=C(N)N" . "CCOC(=O)c1ccc(cc1)OC(=O)CCCCCN=C(N)N" . "YKGYIDJEEQRWQH-UHFFFAOYSA-N" . "InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19)" . "CC(CC(C(=O)NC1CCC(N(CC1=O)S(=O)(=O)c1ccccn1)C)NC(=O)c1cc2c(o1)cccc2)C" . "CC(C[C@@H](C(=O)N[C@H]1CC[C@H](N(CC1=O)S(=O)(=O)c1ccccn1)C)NC(=O)c1cc2c(o1)cccc2)C" . "BWYBBMQLUKXECQ-GIVPXCGWSA-N" . "InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21+/m1/s1" . "CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N" . "CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N" . "LLCRBOWRJOUJAE-UHFFFAOYSA-N" . "InChI=1S/C23H33N5O2/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29)" . "CC(CC(C(=O)NCC#N)NC(C(F)(F)F)c1ccc(cc1)c1ccc(cc1)S(=O)(=O)C)C" . "CC(C[C@@H](C(=O)NCC#N)N[C@H](C(F)(F)F)c1ccc(cc1)c1ccc(cc1)S(=O)(=O)C)C" . "VYFDSJLOCIGIKP-SFTDATJTSA-N" . "InChI=1S/C23H26F3N3O3S/c1-15(2)14-20(22(30)28-13-12-27)29-21(23(24,25)26)18-6-4-16(5-7-18)17-8-10-19(11-9-17)33(3,31)32/h4-11,15,20-21,29H,13-14H2,1-3H3,(H,28,30)/t20-,21-/m0/s1" . "NCCCCC(C(c1nc2c(o1)cccc2)(O)O)NC(=O)C1CC(CN1C(=O)C(NC(=O)OCc1ccccc1)CCc1ccccc1)OCc1ccc(cc1)C" . "NCCCC[C@@H](C(c1nc2c(o1)cccc2)(O)O)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](NC(=O)OCc1ccccc1)CCc1ccccc1)OCc1ccc(cc1)C" . "KGNDCEVUMONOKF-UGPLYTSKSA-N" . "InChI=1S/C44H51N5O8/c1-30-19-21-33(22-20-30)28-55-34-26-37(40(50)48-39(18-10-11-25-45)44(53,54)42-46-35-16-8-9-17-38(35)57-42)49(27-34)41(51)36(24-23-31-12-4-2-5-13-31)47-43(52)56-29-32-14-6-3-7-15-32/h2-9,12-17,19-22,34,36-37,39,53-54H,10-11,18,23-29,45H2,1H3,(H,47,52)(H,48,50)/t34-,36-,37+,39+/m1/s1" . "CC(C(=O)O)CC(Cc1ccc(cc1)c1ccccc1)NC(=O)CCC(=O)O" . "C[C@@H](C(=O)O)C[C@@H](Cc1ccc(cc1)c1ccccc1)NC(=O)CCC(=O)O" . "DOBNVUFHFMVMDB-BEFAXECRSA-N" . "InChI=1S/C22H25NO5/c1-15(22(27)28)13-19(23-20(24)11-12-21(25)26)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t15-,19+/m1/s1" . "CCOC(=O)C(CC(Cc1ccc(cc1)c1ccccc1)NC(=O)CCC(=O)O)C" . "CCOC(=O)[C@@H](C[C@@H](Cc1ccc(cc1)c1ccccc1)NC(=O)CCC(=O)O)C" . "PYNXFZCZUAOOQC-UTKZUKDTSA-N" . "InChI=1S/C24H29NO5/c1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28)/t17-,21+/m1/s1" . "Cc1csc(n1)C1CCCN1C(=O)c1cc(cc(c1)N(S(=O)(=O)C)C)C(=O)NC(C(CNCc1cccc(c1)OC(F)(F)F)O)Cc1ccccc1" . "Cc1csc(n1)[C@H]1CCCN1C(=O)c1cc(cc(c1)N(S(=O)(=O)C)C)C(=O)N[C@H]([C@@H](CNCc1cccc(c1)OC(F)(F)F)O)Cc1ccccc1" . "GUOONOJYWQOJJP-DCMFLLSESA-N" . "InChI=1S/C36H40F3N5O6S2/c1-23-22-51-34(41-23)31-13-8-14-44(31)35(47)27-17-26(18-28(19-27)43(2)52(3,48)49)33(46)42-30(16-24-9-5-4-6-10-24)32(45)21-40-20-25-11-7-12-29(15-25)50-36(37,38)39/h4-7,9-12,15,17-19,22,30-32,40,45H,8,13-14,16,20-21H2,1-3H3,(H,42,46)/t30-,31+,32+/m0/s1" . "Clc1ccc(nc1)C(=O)Nc1ccc(c(c1)C1(C)CCSC(=N1)N)F" . "Clc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@]1(C)CCSC(=N1)N)F" . "VVZZZUNCWSTIOI-KRWDZBQOSA-N" . "InChI=1S/C17H16ClFN4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1" . "Clc1cnc(nc1)C(=O)Nc1cccc(c1)C1(C)CC(=O)N(C(=N1)N)C" . "Clc1cnc(nc1)C(=O)Nc1cccc(c1)[C@]1(C)CC(=O)N(C(=N1)N)C" . "VZUGBLTVBZJZOE-KRWDZBQOSA-N" . "InChI=1S/C17H17ClN6O2/c1-17(7-13(25)24(2)16(19)23-17)10-4-3-5-12(6-10)22-15(26)14-20-8-11(18)9-21-14/h3-6,8-9H,7H2,1-2H3,(H2,19,23)(H,22,26)/t17-/m0/s1" . "Clc1ccc(nc1)C(=O)Nc1ccc(c(c1)C12N=C(N)SCCC2C1)F" . "Clc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@]12N=C(N)SCC[C@@H]2C1)F" . "COCAUCFPFHUGAA-MGNBDDOMSA-N" . "InChI=1S/C18H16ClFN4OS/c19-11-1-4-15(22-9-11)16(25)23-12-2-3-14(20)13(7-12)18-8-10(18)5-6-26-17(21)24-18/h1-4,7,9-10H,5-6,8H2,(H2,21,24)(H,23,25)/t10-,18+/m1/s1" . "OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C" . "OC(=O)[C@@H](c1ccc(c(c1)F)c1ccccc1)C" . "SYTBZMRGLBWNTM-SNVBAGLBSA-N" . "InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1" . "CCc1c([nH]c2c1cc(Cl)cc2)C(=O)NCCc1ccc(cc1)N1CCCCC1" . "CCc1c([nH]c2c1cc(Cl)cc2)C(=O)NCCc1ccc(cc1)N1CCCCC1" . "AHFZDNYNXFMRFQ-UHFFFAOYSA-N" . "InChI=1S/C24H28ClN3O/c1-2-20-21-16-18(25)8-11-22(21)27-23(20)24(29)26-13-12-17-6-9-19(10-7-17)28-14-4-3-5-15-28/h6-11,16,27H,2-5,12-15H2,1H3,(H,26,29)" . "COc1c2ccccn2c(c1C)C(=O)c1ccc(c(c1)C(=O)O)N" . "COc1c2ccccn2c(c1C)C(=O)c1ccc(c(c1)C(=O)O)N" . "SNMCWIDCSPHZRD-UHFFFAOYSA-N" . "InChI=1S/C18H16N2O4/c1-10-15(20-8-4-3-5-14(20)17(10)24-2)16(21)11-6-7-13(19)12(9-11)18(22)23/h3-9H,19H2,1-2H3,(H,22,23)" . "CC(=O)Nc1ccc(cc1)OCC(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])(O)C" . "CC(=O)Nc1ccc(cc1)OC[C@@](C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])(O)C" . "YVXVTLGIDOACBJ-SFHVURJKSA-N" . "InChI=1S/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1" . "O=CC(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(C)C" . "O=CC(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(C)C" . "XGWATTXMMMANFJ-UHFFFAOYSA-N" . "InChI=1S/C19H30O2/c1-17(2,3)14-9-13(11-19(7,8)12-20)10-15(16(14)21)18(4,5)6/h9-10,12,21H,11H2,1-8H3" . "CCN(CCc1ccc(cc1)N(=O)=O)CCOc1ccc(cc1)N(=O)=O" . "CCN(CCc1ccc(cc1)N(=O)=O)CCOc1ccc(cc1)N(=O)=O" . "DNTKZECWRGSWKD-UHFFFAOYSA-N" . "InChI=1S/C18H21N3O5/c1-2-19(12-11-15-3-5-16(6-4-15)20(22)23)13-14-26-18-9-7-17(8-10-18)21(24)25/h3-10H,2,11-14H2,1H3" . "O=C(c1ccc(cc1)CNS(=O)(=O)c1ccc(c(c1)Cl)F)NNC(=O)c1ccccc1" . "O=C(c1ccc(cc1)CNS(=O)(=O)c1ccc(c(c1)Cl)F)NNC(=O)c1ccccc1" . "FYIBXBFDXNPBSF-UHFFFAOYSA-N" . "InChI=1S/C21H17ClFN3O4S/c22-18-12-17(10-11-19(18)23)31(29,30)24-13-14-6-8-16(9-7-14)21(28)26-25-20(27)15-4-2-1-3-5-15/h1-12,24H,13H2,(H,25,27)(H,26,28)" . "COC1=CC2C(=NC(=[N+](C2=O)c2ccc(cc2)C(=O)O)C=Cc2cccc(c2)[N+](=O)[O-])C=C1" . "COC1=CC2C(=NC(=[N+](C2=O)c2ccc(cc2)C(=O)O)/C=C/c2cccc(c2)[N+](=O)[O-])C=C1" . "ZLXASDKCRPAANV-LFYBBSHMSA-O" . "InChI=1S/C24H17N3O6/c1-33-19-10-11-21-20(14-19)23(28)26(17-8-6-16(7-9-17)24(29)30)22(25-21)12-5-15-3-2-4-18(13-15)27(31)32/h2-14,20H,1H3/p+1/b12-5+" . "O=C1NC(=O)C(N1)(C)CS(=O)(=O)N1CCC(CC1)Oc1ccc(cn1)Cl" . "O=C1NC(=O)[C@@](N1)(C)CS(=O)(=O)N1CCC(CC1)Oc1ccc(cn1)Cl" . "SFJFBTPHDHUUPU-OAHLLOKOSA-N" . "InChI=1S/C15H19ClN4O5S/c1-15(13(21)18-14(22)19-15)9-26(23,24)20-6-4-11(5-7-20)25-12-3-2-10(16)8-17-12/h2-3,8,11H,4-7,9H2,1H3,(H2,18,19,21,22)/t15-/m1/s1" . "OC(=O)CCC(=O)N1N=C(CC1c1ccc(cc1)Br)C1C(=O)N=c2c(=C1c1ccccc1)cc(cc2)C" . "OC(=O)CCC(=O)N1N=C(CC1c1ccc(cc1)Br)C1C(=O)N=c2c(=C1c1ccccc1)cc(cc2)C" . "ACUGSRUCGXYFTL-UHFFFAOYSA-N" . "InChI=1S/C29H24BrN3O4/c1-17-7-12-22-21(15-17)27(19-5-3-2-4-6-19)28(29(37)31-22)23-16-24(18-8-10-20(30)11-9-18)33(32-23)25(34)13-14-26(35)36/h2-12,15,24,28H,13-14,16H2,1H3,(H,35,36)" . "O=C1N2CCCC2Oc2c1cc1OCCOc1c2" . "O=C1N2CCCC2Oc2c1cc1OCCOc1c2" . "RQEPVMAYUINZRE-UHFFFAOYSA-N" . "InChI=1S/C13H13NO4/c15-13-8-6-10-11(17-5-4-16-10)7-9(8)18-12-2-1-3-14(12)13/h6-7,12H,1-5H2" . "CCCNC(=O)c1cn2c(c1C)c(ncn2)Nc1cc(ccc1C)C(=O)NC1CC1" . "CCCNC(=O)c1cn2c(c1C)c(ncn2)Nc1cc(ccc1C)C(=O)NC1CC1" . "GDTQLZHHDRRBEB-UHFFFAOYSA-N" . "InChI=1S/C22H26N6O2/c1-4-9-23-22(30)17-11-28-19(14(17)3)20(24-12-25-28)27-18-10-15(6-5-13(18)2)21(29)26-16-7-8-16/h5-6,10-12,16H,4,7-9H2,1-3H3,(H,23,30)(H,26,29)(H,24,25,27)" . "COCCOc1ccc(cc1)Nc1ncc(c(n1)Nc1cccc(c1)NC(=O)C=C)F" . "COCCOc1ccc(cc1)Nc1ncc(c(n1)Nc1cccc(c1)NC(=O)C=C)F" . "KXBDTLQSDKGAEB-UHFFFAOYSA-N" . "InChI=1S/C22H22FN5O3/c1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2/h3-10,13-14H,1,11-12H2,2H3,(H,25,29)(H2,24,26,27,28)" . "CCNc1cc2C=CCC(O)C(O)C(=O)C=CC(C(OC(=O)c2c(c1)O)C)C" . "CCNc1cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C/[C@H]([C@@H](OC(=O)c2c(c1)O)C)C" . "MWUFVYLAWAXDHQ-HMNLTAHHSA-N" . "InChI=1S/C21H27NO6/c1-4-22-15-10-14-6-5-7-16(23)20(26)17(24)9-8-12(2)13(3)28-21(27)19(14)18(25)11-15/h5-6,8-13,16,20,22-23,25-26H,4,7H2,1-3H3/b6-5+,9-8-/t12-,13+,16+,20+/m1/s1" . "O=C(c1ccc(nc1)c1cc(cc(c1C)F)C(=O)NC1CC1)NCC(C)(C)C" . "O=C(c1ccc(nc1)c1cc(cc(c1C)F)C(=O)NC1CC1)NCC(C)(C)C" . "KKYABQBFGDZVNQ-UHFFFAOYSA-N" . "InChI=1S/C22H26FN3O2/c1-13-17(9-15(10-18(13)23)21(28)26-16-6-7-16)19-8-5-14(11-24-19)20(27)25-12-22(2,3)4/h5,8-11,16H,6-7,12H2,1-4H3,(H,25,27)(H,26,28)" . "COc1cc(OC)c(c(c1)OC)C=CS(=O)(=O)Cc1cnc(c(c1)NS(=O)(=O)C)OC" . "COc1cc(OC)c(c(c1)OC)/C=C/S(=O)(=O)Cc1cnc(c(c1)NS(=O)(=O)C)OC" . "HEBBDGMHRHUJRY-VOTSOKGWSA-N" . "InChI=1S/C19H24N2O8S2/c1-26-14-9-17(27-2)15(18(10-14)28-3)6-7-31(24,25)12-13-8-16(21-30(5,22)23)19(29-4)20-11-13/h6-11,21H,12H2,1-5H3/b7-6+" . "COc1cc(OC)cc(c1C=CS(=O)(=O)Cc1ccc(c(c1)NCC(=O)O)OC)OC" . "COc1cc(OC)cc(c1/C=C/S(=O)(=O)Cc1ccc(c(c1)NCC(=O)O)OC)OC" . "OWBFCJROIKNMGD-BQYQJAHWSA-N" . "InChI=1S/C21H25NO8S/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24/h5-11,22H,12-13H2,1-4H3,(H,23,24)/b8-7+" . "CCc1ccccc1NC(=O)N1CC(C)Oc2c1ccc(c2)c1ccc(cc1)C1CCC(CC1)CC(=O)O" . "CCc1ccccc1NC(=O)N1C[C@@H](C)Oc2c1ccc(c2)c1ccc(cc1)[C@@H]1CC[C@H](CC1)CC(=O)O" . "PUQLADUSPHHAJY-CQOQZXRMSA-N" . "InChI=1S/C32H36N2O4/c1-3-23-6-4-5-7-28(23)33-32(37)34-20-21(2)38-30-19-27(16-17-29(30)34)26-14-12-25(13-15-26)24-10-8-22(9-11-24)18-31(35)36/h4-7,12-17,19,21-22,24H,3,8-11,18,20H2,1-2H3,(H,33,37)(H,35,36)/t21-,22-,24-/m1/s1" . "OC(=O)C1CCC(CC1)OC1CCN(CC1)c1ccc(cn1)c1nc2c([nH]1)ccc(c2)C(F)(F)F" . "OC(=O)[C@@H]1CC[C@H](CC1)OC1CCN(CC1)c1ccc(cn1)c1nc2c([nH]1)ccc(c2)C(F)(F)F" . "MCFBUIIRFZBRCU-RZDIXWSQSA-N" . "InChI=1S/C25H27F3N4O3/c26-25(27,28)17-4-7-20-21(13-17)31-23(30-20)16-3-8-22(29-14-16)32-11-9-19(10-12-32)35-18-5-1-15(2-6-18)24(33)34/h3-4,7-8,13-15,18-19H,1-2,5-6,9-12H2,(H,30,31)(H,33,34)/t15-,18-" . "OC(=O)CC1CCC(CC1)c1ccc(cc1)c1ccc(cn1)Nc1ccc(nc1)C(F)(F)F" . "OC(=O)C[C@@H]1CC[C@H](CC1)c1ccc(cc1)c1ccc(cn1)Nc1ccc(nc1)C(F)(F)F" . "GXALXAKNHIROPE-QAQDUYKDSA-N" . "InChI=1S/C25H24F3N3O2/c26-25(27,28)23-12-10-21(15-30-23)31-20-9-11-22(29-14-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-24(32)33/h5-12,14-17,31H,1-4,13H2,(H,32,33)/t16-,17-" . "OC(=O)CC1CCC(CC1)c1ccc(cc1)N1CCOc2c(C1=O)c(N)ncn2" . "OC(=O)C[C@@H]1CC[C@H](CC1)c1ccc(cc1)N1CCOc2c(C1=O)c(N)ncn2" . "GEVVQZHMFVFGLN-HDJSIYSDSA-N" . "InChI=1S/C21H24N4O4/c22-19-18-20(24-12-23-19)29-10-9-25(21(18)28)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-17(26)27/h5-8,12-14H,1-4,9-11H2,(H,26,27)(H2,22,23,24)/t13-,14-" . "OC(=O)CC1CCC(CC1)c1ccc(cc1)C1=Nc2c(N)ncnc2OC1(C)C" . "OC(=O)C[C@@H]1CC[C@H](CC1)c1ccc(cc1)C1=Nc2c(N)ncnc2OC1(C)C" . "FUIYMYNYUHVDPT-HDJSIYSDSA-N" . "InChI=1S/C22H26N4O3/c1-22(2)19(26-18-20(23)24-12-25-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(27)28/h7-10,12-14H,3-6,11H2,1-2H3,(H,27,28)(H2,23,24,25)/t13-,14-" . "OC(=O)CC1CCC(CC1)c1ccc(cc1)c1nc(C(=O)N)c(nc1C)C" . "OC(=O)C[C@@H]1CC[C@H](CC1)c1ccc(cc1)c1nc(C(=O)N)c(nc1C)C" . "YXFNPRHZMOGREC-SHTZXODSSA-N" . "InChI=1S/C21H25N3O3/c1-12-19(24-20(21(22)27)13(2)23-12)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18(25)26/h7-10,14-15H,3-6,11H2,1-2H3,(H2,22,27)(H,25,26)/t14-,15-" . "OCCCNCCCc1ccc(c(c1)C(=O)NCC12CC3CC(C2)CC(C1)C3)Cl" . "OCCCNCCCc1ccc(c(c1)C(=O)NCC12CC3CC(C2)CC(C1)C3)Cl" . "HSQAARMBHJCUOK-UHFFFAOYSA-N" . "InChI=1S/C24H35ClN2O2/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29)" . "O=C(N1CCN(CC1)C(=O)C1NCCN(C1)C(C)C)Nc1ccc(c(c1)F)Cl" . "O=C(N1CCN(CC1)C(=O)[C@@H]1NCCN(C1)C(C)C)Nc1ccc(c(c1)F)Cl" . "WERHXSXPOAOBJV-QGZVFWFLSA-N" . "InChI=1S/C19H27ClFN5O2/c1-13(2)26-6-5-22-17(12-26)18(27)24-7-9-25(10-8-24)19(28)23-14-3-4-15(20)16(21)11-14/h3-4,11,13,17,22H,5-10,12H2,1-2H3,(H,23,28)/t17-/m1/s1" . "N#CCNC(=O)c1ccc(cc1)c1ccnc(n1)Nc1ccc(cc1)N1CCOCC1" . "N#CCNC(=O)c1ccc(cc1)c1ccnc(n1)Nc1ccc(cc1)N1CCOCC1" . "ZVHNDZWQTBEVRY-UHFFFAOYSA-N" . "InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)" . "OCCN(C(=O)c1ccc(cc1)C(=C1CCN(CC1)Cc1cscn1)c1cccc2c1nccc2)C" . "OCCN(C(=O)c1ccc(cc1)C(=C1CCN(CC1)Cc1cscn1)c1cccc2c1nccc2)C" . "ZJKUETLEJYCOBO-UHFFFAOYSA-N" . "InChI=1S/C29H30N4O2S/c1-32(16-17-34)29(35)24-9-7-21(8-10-24)27(26-6-2-4-23-5-3-13-30-28(23)26)22-11-14-33(15-12-22)18-25-19-36-20-31-25/h2-10,13,19-20,34H,11-12,14-18H2,1H3" . "FC(C(Oc1ccc(cc1)OC1CCN(CC1)S(=O)(=O)CC1(C)NC(=O)NC1=O)(F)F)F" . "FC(C(Oc1ccc(cc1)OC1CCN(CC1)S(=O)(=O)C[C@@]1(C)NC(=O)NC1=O)(F)F)F" . "SBVAXUGOISPYPX-QGZVFWFLSA-N" . "InChI=1S/C18H21F4N3O6S/c1-17(15(26)23-16(27)24-17)10-32(28,29)25-8-6-12(7-9-25)30-11-2-4-13(5-3-11)31-18(21,22)14(19)20/h2-5,12,14H,6-10H2,1H3,(H2,23,24,26,27)/t17-/m1/s1" . "CCOC(=O)N1CCC(CC1)(C)N1CCC(CC1)N1C(=O)NC2C1CCCC2" . "CCOC(=O)N1CCC(CC1)(C)N1CCC(CC1)N1C(=O)N[C@@H]2[C@@H]1CCCC2" . "IVJDEIANCSDDAO-ROUUACIJSA-N" . "InChI=1S/C21H36N4O3/c1-3-28-20(27)23-14-10-21(2,11-15-23)24-12-8-16(9-13-24)25-18-7-5-4-6-17(18)22-19(25)26/h16-18H,3-15H2,1-2H3,(H,22,26)/t17-,18-/m0/s1" . "Cc1ccc(cc1)CCSC(C(=O)O)Cc1ccc(cc1)CCOc1ccc(cc1)OS(=O)(=O)C" . "Cc1ccc(cc1)CCSC(C(=O)O)Cc1ccc(cc1)CCOc1ccc(cc1)OS(=O)(=O)C" . "CIHMPKKTGUOBBS-UHFFFAOYSA-N" . "InChI=1S/C27H30O6S2/c1-20-3-5-22(6-4-20)16-18-34-26(27(28)29)19-23-9-7-21(8-10-23)15-17-32-24-11-13-25(14-12-24)33-35(2,30)31/h3-14,26H,15-19H2,1-2H3,(H,28,29)" . "O=C1NC(=O)C2(N1)c1cc(Cl)cc(c1N(C2=O)Cc1cccc(c1)C(F)(F)F)C" . "O=C1NC(=O)C2(N1)c1cc(Cl)cc(c1N(C2=O)Cc1cccc(c1)C(F)(F)F)C" . "DXDVSYALLVVBOV-UHFFFAOYSA-N" . "InChI=1S/C19H13ClF3N3O3/c1-9-5-12(20)7-13-14(9)26(16(28)18(13)15(27)24-17(29)25-18)8-10-3-2-4-11(6-10)19(21,22)23/h2-7H,8H2,1H3,(H2,24,25,27,29)" . "N#Cc1ccc2c(c1)C(=c1ccc(c[nH]1)CN1CCOCC1)C(=O)N2" . "N#Cc1ccc2c(c1)/C(=c/1/ccc(c[nH]1)CN1CCOCC1)/C(=O)N2" . "JULOXTBHCHEFBE-ISLYRVAYSA-N" . "InChI=1S/C19H18N4O2/c20-10-13-1-3-16-15(9-13)18(19(24)22-16)17-4-2-14(11-21-17)12-23-5-7-25-8-6-23/h1-4,9,11,21H,5-8,12H2,(H,22,24)/b18-17+" . "CNC(=O)c1ccc(c(c1)n1c(C)cc(c(c1=O)Br)OCc1ccc(cc1F)F)C" . "CNC(=O)c1ccc(c(c1)n1c(C)cc(c(c1=O)Br)OCc1ccc(cc1F)F)C" . "KCAJXIDMCNPGHZ-UHFFFAOYSA-N" . "InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)" . "Fc1ccc(cc1)CN1CC(C)N(CC1C)C(=O)c1cc2c(cn(c2cc1Cl)C)C(=O)C(=O)N(C)C" . "Fc1ccc(cc1)CN1C[C@@H](C)N(C[C@@H]1C)C(=O)c1cc2c(cn(c2cc1Cl)C)C(=O)C(=O)N(C)C" . "ZMELOYOKMZBMRB-DLBZAZTESA-N" . "InChI=1S/C27H30ClFN4O3/c1-16-13-33(17(2)12-32(16)14-18-6-8-19(29)9-7-18)26(35)21-10-20-22(25(34)27(36)30(3)4)15-31(5)24(20)11-23(21)28/h6-11,15-17H,12-14H2,1-5H3/t16-,17+/m0/s1" . "OC(=O)CCc1c(C)[nH]c(c1C)C=C1C(=O)Nc2c1cccc2" . "OC(=O)CCc1c(C)[nH]c(c1C)/C=C/1/C(=O)Nc2c1cccc2" . "NHFDRBXTEDBWCZ-ZROIWOOFSA-N" . "InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-" . "OCC(Nc1nc(c2ccc(cc2C)F)c2c(n1)n(c(=O)cc2)c1c(F)cccc1F)CO" . "OCC(Nc1nc(c2ccc(cc2C)F)c2c(n1)n(c(=O)cc2)c1c(F)cccc1F)CO" . "ORVNHOYNEHYKJG-UHFFFAOYSA-N" . "InChI=1S/C23H19F3N4O3/c1-12-9-13(24)5-6-15(12)20-16-7-8-19(33)30(21-17(25)3-2-4-18(21)26)22(16)29-23(28-20)27-14(10-31)11-32/h2-9,14,31-32H,10-11H2,1H3,(H,27,28,29)" . "Cc1ncn(c1)c1cc(NC(=O)c2ccc(c(c2)Nc2nccc(n2)c2nccnc2)C)cc(c1)C(F)(F)F" . "Cc1ncn(c1)c1cc(NC(=O)c2ccc(c(c2)Nc2nccc(n2)c2nccnc2)C)cc(c1)C(F)(F)F" . "DUPWHXBITIZIKZ-UHFFFAOYSA-N" . "InChI=1S/C27H21F3N8O/c1-16-3-4-18(9-23(16)37-26-33-6-5-22(36-26)24-13-31-7-8-32-24)25(39)35-20-10-19(27(28,29)30)11-21(12-20)38-14-17(2)34-15-38/h3-15H,1-2H3,(H,35,39)(H,33,36,37)" . "CN(CC(c1ccc(cc1)c1c(O)cc(c2c1c1ccsc1c(=O)[nH]2)C)C)C" . "CN(C[C@@H](c1ccc(cc1)c1c(O)cc(c2c1c1ccsc1c(=O)[nH]2)C)C)C" . "XCFRUAOZMVFDPQ-AWEZNQCLSA-N" . "InChI=1S/C23H24N2O2S/c1-13-11-18(26)19(16-7-5-15(6-8-16)14(2)12-25(3)4)20-17-9-10-28-22(17)23(27)24-21(13)20/h5-11,14,26H,12H2,1-4H3,(H,24,27)/t14-/m0/s1" . "OC(=O)CCC(C(=O)NC(C(=O)N)CCC(=O)O)NC(=O)C(CP(=O)(c1ccc(cc1)Br)O)Cc1onc(c1)c1ccc(cc1)c1cccc(c1)Cl" . "OC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N)CCC(=O)O)NC(=O)[C@@H](CP(=O)(c1ccc(cc1)Br)O)Cc1onc(c1)c1ccc(cc1)c1cccc(c1)Cl" . "PTUCPHGSAFOJAU-MGONOCMRSA-N" . "InChI=1S/C35H35BrClN4O10P/c36-24-8-10-27(11-9-24)52(49,50)19-23(34(47)40-29(13-15-32(44)45)35(48)39-28(33(38)46)12-14-31(42)43)17-26-18-30(41-51-26)21-6-4-20(5-7-21)22-2-1-3-25(37)16-22/h1-11,16,18,23,28-29H,12-15,17,19H2,(H2,38,46)(H,39,48)(H,40,47)(H,42,43)(H,44,45)(H,49,50)/t23-,28+,29+/m1/s1" . "COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCCC1)n(c(=O)n2C)C" . "COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCCC1)n(c(=O)n2C)C" . "LTUGYAOMCKNTGG-UHFFFAOYSA-N" . "InChI=1S/C22H26N4O3/c1-24-18-13-16(23-21(27)15-9-5-6-10-20(15)29-3)17(26-11-7-4-8-12-26)14-19(18)25(2)22(24)28/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,23,27)" . "Cc1ccc(c(c1)C)S(=O)(=O)Nc1ccc2c(c1)n(C)c(=O)n2C" . "Cc1ccc(c(c1)C)S(=O)(=O)Nc1ccc2c(c1)n(C)c(=O)n2C" . "HVGVNYJRZJHYBS-UHFFFAOYSA-N" . "InChI=1S/C17H19N3O3S/c1-11-5-8-16(12(2)9-11)24(22,23)18-13-6-7-14-15(10-13)20(4)17(21)19(14)3/h5-10,18H,1-4H3" . "COC(=O)C(C1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)ccc(c2)OC)CC" . "COC(=O)[C@@H]([C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)ccc(c2)OC)CC" . "WGMDCNPABCIZCD-UTKZUKDTSA-N" . "InChI=1S/C23H23ClN4O3/c1-5-17(23(29)31-4)21-22-27-26-13(2)28(22)19-11-10-16(30-3)12-18(19)20(25-21)14-6-8-15(24)9-7-14/h6-12,17,21H,5H2,1-4H3/t17-,21+/m1/s1" . "COC(=O)C(C1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)ccc(c2)OC)C" . "COC(=O)[C@@H]([C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)ccc(c2)OC)C" . "FENXDXHDXYVGRJ-BLVKFPJESA-N" . "InChI=1S/C22H21ClN4O3/c1-12(22(28)30-4)19-21-26-25-13(2)27(21)18-10-9-16(29-3)11-17(18)20(24-19)14-5-7-15(23)8-6-14/h5-12,19H,1-4H3/t12-,19+/m1/s1" . "OCC(C(C)C)Nc1nc(Nc2ccc(c(c2)Cl)C(=O)O)c2c(n1)n(cn2)C(C)C" . "OC[C@@H](C(C)C)Nc1nc(Nc2ccc(c(c2)Cl)C(=O)O)c2c(n1)n(cn2)C(C)C" . "ZKDXRFMOHZVXSG-HNNXBMFYSA-N" . "InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1" . "COc1cc(ccc1n1cnc(c1)C)Nc1nc2CCOCc2c(n1)COC1CCCC1" . "COc1cc(ccc1n1cnc(c1)C)Nc1nc2CCOCc2c(n1)COC1CCCC1" . "RMRFSIAFQBYBSN-UHFFFAOYSA-N" . "InChI=1S/C24H29N5O3/c1-16-12-29(15-25-16)22-8-7-17(11-23(22)30-2)26-24-27-20-9-10-31-13-19(20)21(28-24)14-32-18-5-3-4-6-18/h7-8,11-12,15,18H,3-6,9-10,13-14H2,1-2H3,(H,26,27,28)" . "COc1c(C)cc(cc1C)C1(N=C(c2c1nccn2)N)c1cccc(c1)c1cncnc1" . "COc1c(C)cc(cc1C)[C@@]1(N=C(c2c1nccn2)N)c1cccc(c1)c1cncnc1" . "BICGYFRWDDPYEI-VWLOTQADSA-N" . "InChI=1S/C25H22N6O/c1-15-9-20(10-16(2)22(15)32-3)25(23-21(24(26)31-25)29-7-8-30-23)19-6-4-5-17(11-19)18-12-27-14-28-13-18/h4-14H,1-3H3,(H2,26,31)/t25-/m0/s1" . "CNc1nc(NCc2ccc(cc2Cl)Cl)cc(n1)c1ccccn1" . "CNc1nc(NCc2ccc(cc2Cl)Cl)cc(n1)c1ccccn1" . "HOVRMCPKCWLHJS-UHFFFAOYSA-N" . "InChI=1S/C17H15Cl2N5/c1-20-17-23-15(14-4-2-3-7-21-14)9-16(24-17)22-10-11-5-6-12(18)8-13(11)19/h2-9H,10H2,1H3,(H2,20,22,23,24)" . "N#Cc1ccc(nc1)N1CCN(CC1)Cc1cn2c(n1)ccc(c2)Cl" . "N#Cc1ccc(nc1)N1CCN(CC1)Cc1cn2c(n1)ccc(c2)Cl" . "UGDJVSURAKMIPU-UHFFFAOYSA-N" . "InChI=1S/C18H17ClN6/c19-15-2-4-18-22-16(13-25(18)11-15)12-23-5-7-24(8-6-23)17-3-1-14(9-20)10-21-17/h1-4,10-11,13H,5-8,12H2" . "COc1cc(OC)cc(c1)C(=O)NNC(=O)Nc1ccc2c(c1)cccc2" . "COc1cc(OC)cc(c1)C(=O)NNC(=O)Nc1ccc2c(c1)cccc2" . "IFQNPGNCFXITTG-UHFFFAOYSA-N" . "InChI=1S/C20H19N3O4/c1-26-17-10-15(11-18(12-17)27-2)19(24)22-23-20(25)21-16-8-7-13-5-3-4-6-14(13)9-16/h3-12H,1-2H3,(H,22,24)(H2,21,23,25)" . "CCCc1ccc(cc1)c1ccc(cc1)N(C(=O)C1CC1c1ccccn1)CC(C(CC)C)N" . "CCCc1ccc(cc1)c1ccc(cc1)N(C(=O)[C@@H]1C[C@H]1c1ccccn1)C[C@H]([C@H](CC)C)N" . "OBGKRTYDTRUMGO-RFNYNIMXSA-N" . "InChI=1S/C30H37N3O/c1-4-8-22-10-12-23(13-11-22)24-14-16-25(17-15-24)33(20-28(31)21(3)5-2)30(34)27-19-26(27)29-9-6-7-18-32-29/h6-7,9-18,21,26-28H,4-5,8,19-20,31H2,1-3H3/t21-,26+,27+,28+/m0/s1" . "Cc1cccc(n1)c1nn2c(c1c1ccnc3c1cc(cc3)C(=O)N)CCC2" . "Cc1cccc(n1)c1nn2c(c1c1ccnc3c1cc(cc3)C(=O)N)CCC2" . "IVRXNBXKWIJUQB-UHFFFAOYSA-N" . "InChI=1S/C22H19N5O/c1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28)" . "COc1cc(Nc2ncc(c(n2)Nc2ccc3c(n2)N(COP(=O)(O)O)C(=O)C(O3)(C)C)F)cc(c1OC)OC" . "COc1cc(Nc2ncc(c(n2)Nc2ccc3c(n2)N(COP(=O)(O)O)C(=O)C(O3)(C)C)F)cc(c1OC)OC" . "GKDRMWXFWHEQQT-UHFFFAOYSA-N" . "InChI=1S/C23H26FN6O9P/c1-23(2)21(31)30(11-38-40(32,33)34)20-14(39-23)6-7-17(28-20)27-19-13(24)10-25-22(29-19)26-12-8-15(35-3)18(37-5)16(9-12)36-4/h6-10H,11H2,1-5H3,(H2,32,33,34)(H2,25,26,27,28,29)" . "Cc1nn(c(n1)c1cn2c(n1)c1ccc(cc1OCC2)c1cnn(c1)C(C(=O)N)(C)C)C(C)C" . "Cc1nn(c(n1)c1cn2c(n1)c1ccc(cc1OCC2)c1cnn(c1)C(C(=O)N)(C)C)C(C)C" . "BEUQXVWXFDOSAQ-UHFFFAOYSA-N" . "InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)" . "C1C=CCOCc2cc(ccc2OCCN2CCCC2)Nc2nc(c3cc(CO1)ccc3)ccn2" . "C1/C=C/COCc2cc(ccc2OCCN2CCCC2)Nc2nc(c3cc(CO1)ccc3)ccn2" . "HWXVIOGONBBTBY-ONEGZZNKSA-N" . "InChI=1S/C28H32N4O3/c1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31)/b4-3+" . "N#CCC1(CN(C1)S(=O)(=O)CC)n1ncc(c1)c1ncnc2c1cc[nH]2" . "N#CCC1(CN(C1)S(=O)(=O)CC)n1ncc(c1)c1ncnc2c1cc[nH]2" . "XUZMWHLSFXCVMG-UHFFFAOYSA-N" . "InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)" . "COc1cccc(c1C1=NCc2c(c3c1cc(Cl)cc3)nc(nc2)Nc1ccc(c(c1)OC)C(=O)O)F" . "COc1cccc(c1C1=NCc2c(c3c1cc(Cl)cc3)nc(nc2)Nc1ccc(c(c1)OC)C(=O)O)F" . "ZLHFILGSQDJULK-UHFFFAOYSA-N" . "InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)" . "FCCOCCOCCOc1ccc(cc1)C=Cc1ccc(cc1)NC" . "[18F]CCOCCOCCOc1ccc(cc1)/C=C/c1ccc(cc1)NC" . "NCWZOASIUQVOFA-FWZJPQCDSA-N" . "InChI=1S/C21H26FNO3/c1-23-20-8-4-18(5-9-20)2-3-19-6-10-21(11-7-19)26-17-16-25-15-14-24-13-12-22/h2-11,23H,12-17H2,1H3/b3-2+/i22-1" . "CC#Cc1cncc(c1)c1ccc2c(c1)C1(N=C(C(=N1)C)N)C1(C2)CCC(CC1)OC" . "CC#Cc1cncc(c1)c1ccc2c(c1)[C@]1(N=C(C(=N1)C)N)C1(C2)CCC(CC1)OC" . "WKDNQONLGXOZRG-BOPKNSRXSA-N" . "InChI=1S/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22?,25?,26-/m0/s1" . "CCN(c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1)CC" . "CCN(c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1)CC" . "FCHDFDWESRUUDK-UHFFFAOYSA-N" . "InChI=1S/C23H31N5O3S/c1-3-28(4-2)21-14-10-19(11-15-21)25-26-20-12-16-22(17-13-20)32(30,31)27-23(29)24-18-8-6-5-7-9-18/h10-18H,3-9H2,1-2H3,(H2,24,27,29)" . "CCN(c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1)CC" . "CCN(c1ccc(cc1)/N=N/c1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1)CC" . "FCHDFDWESRUUDK-QPLCGJKRSA-N" . "InChI=1S/C23H31N5O3S/c1-3-28(4-2)21-14-10-19(11-15-21)25-26-20-12-16-22(17-13-20)32(30,31)27-23(29)24-18-8-6-5-7-9-18/h10-18H,3-9H2,1-2H3,(H2,24,27,29)/b26-25-" . "Cc1ccc(cc1)n1sc(=O)n(c1=O)Cc1ccc(cc1)F" . "Cc1ccc(cc1)n1sc(=O)n(c1=O)Cc1ccc(cc1)F" . "QUIIIYITNGOFEI-UHFFFAOYSA-N" . "InChI=1S/C16H13FN2O2S/c1-11-2-8-14(9-3-11)19-15(20)18(16(21)22-19)10-12-4-6-13(17)7-5-12/h2-9H,10H2,1H3" . "CCC(=O)NCc1cc2c(n1Cc1ccc(cc1)Cl)cccc2OC" . "CCC(=O)NCc1cc2c(n1Cc1ccc(cc1)Cl)cccc2OC" . "XXXKKZBZKUDKMA-UHFFFAOYSA-N" . "InChI=1S/C20H21ClN2O2/c1-3-20(24)22-12-16-11-17-18(5-4-6-19(17)25-2)23(16)13-14-7-9-15(21)10-8-14/h4-11H,3,12-13H2,1-2H3,(H,22,24)" . "COc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)CN1CCc2c1cccc2" . "COc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)CN1CCc2c1cccc2" . "WPMBIMXWTHXWHN-UHFFFAOYSA-N" . "InChI=1S/C22H25N3O2/c1-15(26)23-11-9-18-19-13-17(27-2)7-8-20(19)24-21(18)14-25-12-10-16-5-3-4-6-22(16)25/h3-8,13,24H,9-12,14H2,1-2H3,(H,23,26)" . "CC(=O)NCCC1=C(CC2CCCCC2)Cc2c1c1CCOc1cc2" . "CC(=O)NCCC1=C(CC2CCCCC2)Cc2c1c1CCOc1cc2" . "MMMAALHYEKMNHU-UHFFFAOYSA-N" . "InChI=1S/C22H29NO2/c1-15(24)23-11-9-19-18(13-16-5-3-2-4-6-16)14-17-7-8-21-20(22(17)19)10-12-25-21/h7-8,16H,2-6,9-14H2,1H3,(H,23,24)" . "ICC(=O)NCCc1c2nc(OC)ccc2[nH]c1c1cccc2c1cccc2" . "[125I]CC(=O)NCCc1c2nc(OC)ccc2[nH]c1c1cccc2c1cccc2" . "ZYVDSJZCXRMXGR-FOKFMTIASA-N" . "InChI=1S/C22H20IN3O2/c1-28-20-10-9-18-22(26-20)17(11-12-24-19(27)13-23)21(25-18)16-8-4-6-14-5-2-3-7-15(14)16/h2-10,25H,11-13H2,1H3,(H,24,27)/i23-2" . "CC(=O)NCCc1cccc2c1cc(OCCCCOc1ccc(cc1)c1ccc(cc1)C(=O)O)cc2" . "CC(=O)NCCc1cccc2c1cc(OCCCCOc1ccc(cc1)c1ccc(cc1)C(=O)O)cc2" . "VTMXSWVEWDJSKG-UHFFFAOYSA-N" . "InChI=1S/C31H31NO5/c1-22(33)32-18-17-26-6-4-5-25-13-16-29(21-30(25)26)37-20-3-2-19-36-28-14-11-24(12-15-28)23-7-9-27(10-8-23)31(34)35/h4-16,21H,2-3,17-20H2,1H3,(H,32,33)(H,34,35)" . "COc1cccc(c1)N(CCNC(=O)C)C" . "COc1cccc(c1)N(CCNC(=O)C)C" . "FAWOXVGCBAVSFR-UHFFFAOYSA-N" . "InChI=1S/C12H18N2O2/c1-10(15)13-7-8-14(2)11-5-4-6-12(9-11)16-3/h4-6,9H,7-8H2,1-3H3,(H,13,15)" . "COc1ccc2c(c1)c(CCNC(=O)C(F)F)ccc2" . "COc1ccc2c(c1)c(CCNC(=O)C(F)F)ccc2" . "UTLRQLQDJLNKNY-UHFFFAOYSA-N" . "InChI=1S/C15H15F2NO2/c1-20-12-6-5-10-3-2-4-11(13(10)9-12)7-8-18-15(19)14(16)17/h2-6,9,14H,7-8H2,1H3,(H,18,19)" . "COc1ccc2c(c1C=CNC(=O)C)cc(cc2)OC" . "COc1ccc2c(c1/C=C/NC(=O)C)cc(cc2)OC" . "HMYFXYOFPXZULT-CMDGGOBGSA-N" . "InChI=1S/C16H17NO3/c1-11(18)17-9-8-14-15-10-13(19-2)6-4-12(15)5-7-16(14)20-3/h4-10H,1-3H3,(H,17,18)/b9-8+" . "CCc1nn2c(c1CCNC(=O)C)c1CCOc1cc2" . "CCc1nn2c(c1CCNC(=O)C)c1CCOc1cc2" . "IZDHETWMKYCGAU-UHFFFAOYSA-N" . "InChI=1S/C15H19N3O2/c1-3-13-11(4-7-16-10(2)19)15-12-6-9-20-14(12)5-8-18(15)17-13/h5,8H,3-4,6-7,9H2,1-2H3,(H,16,19)" . "COc1ccc2c(c1)C(CNC(=O)N)Cc1c(C2)cccc1" . "COc1ccc2c(c1)C(CNC(=O)N)Cc1c(C2)cccc1" . "DIXNMQKCFFPTKU-UHFFFAOYSA-N" . "InChI=1S/C18H20N2O2/c1-22-16-7-6-14-8-12-4-2-3-5-13(12)9-15(17(14)10-16)11-20-18(19)21/h2-7,10,15H,8-9,11H2,1H3,(H3,19,20,21)" . "COc1ccc2c(c1)C(CNC(=O)C)Cc1c(C2)cccc1" . "COc1ccc2c(c1)C(CNC(=O)C)Cc1c(C2)cccc1" . "PQZZGTZTKGECDT-UHFFFAOYSA-N" . "InChI=1S/C19H21NO2/c1-13(21)20-12-17-10-15-6-4-3-5-14(15)9-16-7-8-18(22-2)11-19(16)17/h3-8,11,17H,9-10,12H2,1-2H3,(H,20,21)" . "COc1cc(Cc2cc(OC)c(cc2I)OC)c(cc1OC)CC(=O)OC(C)(C)C" . "COc1cc(Cc2cc(OC)c(cc2[125I])OC)c(cc1OC)CC(=O)OC(C)(C)C" . "UIYQREMVBQNPNM-XXFZXMJFSA-N" . "InChI=1S/C23H29IO6/c1-23(2,3)30-22(25)12-15-10-19(27-5)18(26-4)9-14(15)8-16-11-20(28-6)21(29-7)13-17(16)24/h9-11,13H,8,12H2,1-7H3/i24-2" . "COc1cc2c(CCNC(=O)CI)c[nH]c2cc1" . "COc1cc2c(CCNC(=O)C[125I])c[nH]c2cc1" . "BCFPPJOYYKSYLA-XSBOKVBDSA-N" . "InChI=1S/C13H15IN2O2/c1-18-10-2-3-12-11(6-10)9(8-16-12)4-5-15-13(17)7-14/h2-3,6,8,16H,4-5,7H2,1H3,(H,15,17)/i14-2" . "COCCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCC=Cc1ccccc1)C" . "COCCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C" . "KJEBULYHNRNJTE-DHZHZOJOSA-N" . "InChI=1S/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3/b11-8+" . "O=C1N(c2n[nH]cn2)c2c(C1(C)Cc1cncnc1)cc(cc2)c1ccc(c(c1)Cl)F" . "O=C1N(c2n[nH]cn2)c2c([C@@]1(C)Cc1cncnc1)cc(cc2)c1ccc(c(c1)Cl)F" . "OABSWPUPIHULMQ-JOCHJYFZSA-N" . "InChI=1S/C22H16ClFN6O/c1-22(8-13-9-25-11-26-10-13)16-6-14(15-2-4-18(24)17(23)7-15)3-5-19(16)30(20(22)31)21-27-12-28-29-21/h2-7,9-12H,8H2,1H3,(H,27,28,29)/t22-/m1/s1" . "O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)CC(c1ccccc1)c1ccccc1" . "O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)CC(c1ccccc1)c1ccccc1" . "VCPMZDWBEWTGNW-UHFFFAOYSA-N" . "InChI=1S/C32H32N2O/c35-31(25-30(26-13-5-1-6-14-26)27-15-7-2-8-16-27)33-21-23-34(24-22-33)32(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30,32H,21-25H2" . "O=C(C(C)C)Nc1ccc(c(c1)C(=O)N[C@H](c1ccccc1)C)N(C)C" . "O=C(C(C)C)Nc1ccc(c(c1)C(=O)N[C@H](c1ccccc1)C)N(C)C" . "LDXZFQWWXMRMAS-HNNXBMFYSA-N" . "InChI=1S/C21H27N3O2/c1-14(2)20(25)23-17-11-12-19(24(4)5)18(13-17)21(26)22-15(3)16-9-7-6-8-10-16/h6-15H,1-5H3,(H,22,26)(H,23,25)/t15-/m0/s1" . "CCCNC1CC2(c3c1cccc3)CCN(CC2)Cc1ccc2c(c1)c1ccccc1n2C(=O)N" . "CCCN[C@@H]1CC2(c3c1cccc3)CCN(CC2)Cc1ccc2c(c1)c1ccccc1n2C(=O)N" . "LMNFAMWQPPUUNJ-AREMUKBSSA-N" . "InChI=1S/C30H34N4O/c1-2-15-32-26-19-30(25-9-5-3-8-23(25)26)13-16-33(17-14-30)20-21-11-12-28-24(18-21)22-7-4-6-10-27(22)34(28)29(31)35/h3-12,18,26,32H,2,13-17,19-20H2,1H3,(H2,31,35)/t26-/m1/s1" . "COc1ccc(cc1)C1CN(CC1CC(=O)Nc1cccc(c1)Cl)CCC1(O)CCOCC1" . "COc1ccc(cc1)[C@H]1CN(C[C@@H]1CC(=O)Nc1cccc(c1)Cl)CCC1(O)CCOCC1" . "OLINDOIRFAZHRH-GBXCKJPGSA-N" . "InChI=1S/C26H33ClN2O4/c1-32-23-7-5-19(6-8-23)24-18-29(12-9-26(31)10-13-33-14-11-26)17-20(24)15-25(30)28-22-4-2-3-21(27)16-22/h2-8,16,20,24,31H,9-15,17-18H2,1H3,(H,28,30)/t20-,24+/m0/s1" . "CCON=C(c1ccc(c(c1)F)F)c1ccc(cn1)CN1CCC2(CC1)OCc1c2cc(=O)n(c1)C" . "CCO/N=C(/c1ccc(c(c1)F)F)/c1ccc(cn1)CN1CCC2(CC1)OCc1c2cc(=O)n(c1)C" . "FPPIDMVDDSIXTQ-GKPLWNPISA-N" . "InChI=1S/C27H28F2N4O3/c1-3-36-31-26(19-5-6-22(28)23(29)12-19)24-7-4-18(14-30-24)15-33-10-8-27(9-11-33)21-13-25(34)32(2)16-20(21)17-35-27/h4-7,12-14,16H,3,8-11,15,17H2,1-2H3/b31-26+" . "CC(=O)NCCNC(c1cnc2c(c1)ccc(c2C)NC(=O)c1ccc(cc1)OCC1CC1)C" . "CC(=O)NCCN[C@@H](c1cnc2c(c1)ccc(c2C)NC(=O)c1ccc(cc1)OCC1CC1)C" . "HRYQXLHGNOJEHH-GOSISDBHSA-N" . "InChI=1S/C27H32N4O3/c1-17-25(31-27(33)21-6-9-24(10-7-21)34-16-20-4-5-20)11-8-22-14-23(15-30-26(17)22)18(2)28-12-13-29-19(3)32/h6-11,14-15,18,20,28H,4-5,12-13,16H2,1-3H3,(H,29,32)(H,31,33)/t18-/m1/s1" . "CC(=O)Nc1cccc(c1)C1CCN(CC1)CCCn1nc(c2ccc(c(c2)F)F)c2c(c1=O)cccc2" . "CC(=O)Nc1cccc(c1)C1CCN(CC1)CCCn1nc(c2ccc(c(c2)F)F)c2c(c1=O)cccc2" . "YVVMAGRTTSOPEO-UHFFFAOYSA-N" . "InChI=1S/C30H30F2N4O2/c1-20(37)33-24-7-4-6-22(18-24)21-12-16-35(17-13-21)14-5-15-36-30(38)26-9-3-2-8-25(26)29(34-36)23-10-11-27(31)28(32)19-23/h2-4,6-11,18-19,21H,5,12-17H2,1H3,(H,33,37)" . "C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(C(C=CC=C(C(=O)NC(=CC1=O)C2=O)C)OC)OC(=O)N" . "C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(/C)/[C@@H]([C@H](/C=C/C=C(/C(=O)NC(=CC1=O)C2=O)/C)OC)OC(=O)N" . "AYUNIORJHRXIBJ-HTLBVUBBSA-N" . "InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9+,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1" . "OC1CC(O)CC(=CC=C2CCCC3(C2CCC3C(CC#CC(O)(C)C)C)C)C1" . "O[C@H]1C[C@H](O)CC(=C/C=C/2/CCC[C@]3([C@@H]2CC[C@@H]3[C@@H](CC#CC(O)(C)C)C)C)C1" . "HHGRMHMXKPQNGF-WNSNRMDMSA-N" . "InChI=1S/C26H40O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-20(8-6-14-26(23,24)4)10-9-19-15-21(27)17-22(28)16-19/h9-10,18,21-24,27-29H,6-8,11-12,14-17H2,1-4H3/b20-10+/t18-,21-,22-,23-,24-,26-/m1/s1" . "CCCC(C(=O)Nc1ncn(c1)C(CNCC(C)(C)C)(C)C)NC1CCc2c(C1)c(F)cc(c2)F" . "CCC[C@@H](C(=O)Nc1ncn(c1)C(CNCC(C)(C)C)(C)C)N[C@H]1CCc2c(C1)c(F)cc(c2)F" . "VFCRKLWBYMDAED-REWPJTCUSA-N" . "InChI=1S/C27H41F2N5O/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35)/t20-,23-/m0/s1" . "O=C(C=Cc1cccnc1)NCCCCC1CCN(CC1)C(=O)c1ccccc1" . "O=C(/C=C/c1cccnc1)NCCCCC1CCN(CC1)C(=O)c1ccccc1" . "KPBNHDGDUADAGP-VAWYXSNFSA-N" . "InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+" . "COCCN1CCN(CC1)Cc1ccc(cc1)c1n[nH]c2c1C(=O)c1c2cccc1NC(=O)NN1CCOCC1" . "COCCN1CCN(CC1)Cc1ccc(cc1)c1n[nH]c2c1C(=O)c1c2cccc1NC(=O)NN1CCOCC1" . "XLSYZSRXVVCHLS-UHFFFAOYSA-N" . "InChI=1S/C29H35N7O4/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38)" . "Nc1ncc(cn1)c1nc(nc2c1CCN2S(=O)(=O)C)N1CCOCC1" . "Nc1ncc(cn1)c1nc(nc2c1CCN2S(=O)(=O)C)N1CCOCC1" . "JEGHXKRHKHPBJD-UHFFFAOYSA-N" . "InChI=1S/C15H19N7O3S/c1-26(23,24)22-3-2-11-12(10-8-17-14(16)18-9-10)19-15(20-13(11)22)21-4-6-25-7-5-21/h8-9H,2-7H2,1H3,(H2,16,17,18)" . "CCC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)C(CC)C)Cc1ccc(cc1)O)Cc1ccc(cc1)O)NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CCCN=C(N)N)Cc1ccccc1)CC(C)C)Cc1c[nH]cn1)Cc1ccccc1)CCC(=O)N)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CC(C)C)Cc1ccc(cc1)O)CCCN=C(N)N)Cc1ccc(cc1)O)CC(C)C)CCCN=C(N)N)Cc1ccccc1)CC(C)C)Cc1c[nH]cn1)CCCN=C(N)N)Cc1ccc(cc1)O)C" . "CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)[C@H](CC)C)Cc1ccc(cc1)O)Cc1ccc(cc1)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CCCN=C(N)N)Cc1ccccc1)CC(C)C)Cc1c[nH]cn1)Cc1ccccc1)CCC(=O)N)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CC(C)C)Cc1ccc(cc1)O)CCCN=C(N)N)Cc1ccc(cc1)O)CC(C)C)CCCN=C(N)N)Cc1ccccc1)CC(C)C)Cc1c[nH]cn1)CCCN=C(N)N)Cc1ccc(cc1)O)C" . "MNFKIRAJURGUGP-CWBJURCASA-N" . "InChI=1S/C203H282N50O42/c1-16-113(11)165(192(288)229-143(44-31-85-222-203(214)215)174(270)247-161(198(294)295)102-128-61-77-138(263)78-62-128)248-188(284)156(99-125-55-71-135(260)72-56-125)239-185(281)155(98-124-53-69-134(259)70-54-124)244-193(289)166(114(12)17-2)249-191(287)163-46-33-87-253(163)196(292)159(101-127-59-75-137(262)76-60-127)245-173(269)141(42-29-83-220-201(210)211)227-186(282)158(103-129-105-216-107-223-129)241-176(272)145(88-109(3)4)231-181(277)150(93-119-36-23-19-24-37-119)235-172(268)142(43-30-84-221-202(212)213)230-194(290)167(116(14)254)250-187(283)148(91-112(9)10)233-183(279)152(96-122-49-65-132(257)66-50-122)236-171(267)140(41-28-82-219-200(208)209)226-179(275)151(95-121-47-63-131(256)64-48-121)238-177(273)147(90-111(7)8)243-195(291)168(117(15)255)251-189(285)157(100-126-57-73-136(261)74-58-126)240-184(280)153(97-123-51-67-133(258)68-52-123)237-175(271)144(79-80-164(205)264)228-180(276)154(94-120-38-25-20-26-39-120)242-190(286)162-45-32-86-252(162)197(293)160(104-130-106-217-108-224-130)246-178(274)146(89-110(5)6)232-182(278)149(92-118-34-21-18-22-35-118)234-170(266)139(225-169(265)115(13)204)40-27-81-218-199(206)207/h18-26,34-39,47-78,105-117,139-163,165-168,254-263H,16-17,27-33,40-46,79-104,204H2,1-15H3,(H2,205,264)(H,216,223)(H,217,224)(H,225,265)(H,226,275)(H,227,282)(H,228,276)(H,229,288)(H,230,290)(H,231,277)(H,232,278)(H,233,279)(H,234,266)(H,235,268)(H,236,267)(H,237,271)(H,238,273)(H,239,281)(H,240,280)(H,241,272)(H,242,286)(H,243,291)(H,244,289)(H,245,269)(H,246,274)(H,247,270)(H,248,284)(H,249,287)(H,250,283)(H,251,285)(H,294,295)(H4,206,207,218)(H4,208,209,219)(H4,210,211,220)(H4,212,213,221)(H4,214,215,222)/t113-,114-,115-,116+,117+,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,165-,166-,167-,168-/m0/s1" . "COc1cc(ccc1Nc1ncc(c(n1)Nc1ccccc1P(=O)(C)C)Cl)N1CCC(CC1)N1CCN(CC1)C" . "COc1cc(ccc1Nc1ncc(c(n1)Nc1ccccc1P(=O)(C)C)Cl)N1CCC(CC1)N1CCN(CC1)C" . "AILRADAXUVEEIR-UHFFFAOYSA-N" . "InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)" . "COc1cc(ccc1Nc1ncnc(n1)Nc1ccccc1S(=O)(=O)C(C)C)N1CCC(CC1)N1CCN(CC1)C" . "COc1cc(ccc1Nc1ncnc(n1)Nc1ccccc1S(=O)(=O)C(C)C)N1CCC(CC1)N1CCN(CC1)C" . "MGGBYMDAPCCKCT-UHFFFAOYSA-N" . "InChI=1S/C29H40N8O3S/c1-21(2)41(38,39)27-8-6-5-7-25(27)33-29-31-20-30-28(34-29)32-24-10-9-23(19-26(24)40-4)36-13-11-22(12-14-36)37-17-15-35(3)16-18-37/h5-10,19-22H,11-18H2,1-4H3,(H2,30,31,32,33,34)" . "CCc1cc2C(=O)c3c4ccc(cc4[nH]c3C(c2cc1N1CCC(CC1)N1CCOCC1)(C)C)C#N" . "CCc1cc2C(=O)c3c4ccc(cc4[nH]c3C(c2cc1N1CCC(CC1)N1CCOCC1)(C)C)C#N" . "KDGFLJKFZUIJMX-UHFFFAOYSA-N" . "InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3" . "CNCc1ccc(cc1)c1[nH]c2c3c1CCNC(=O)c3cc(c2)F" . "CNCc1ccc(cc1)c1[nH]c2c3c1CCNC(=O)c3cc(c2)F" . "HMABYWSNWIZPAG-UHFFFAOYSA-N" . "InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)" . "COc1ccc2c(c1)c(C)cc(n2)NCCCNCc1cscc1" . "COc1ccc2c(c1)c(C)cc(n2)NCCCNCc1cscc1" . "ZDKZIFSAJUTJSK-UHFFFAOYSA-N" . "InChI=1S/C19H23N3OS/c1-14-10-19(22-18-5-4-16(23-2)11-17(14)18)21-8-3-7-20-12-15-6-9-24-13-15/h4-6,9-11,13,20H,3,7-8,12H2,1-2H3,(H,21,22)" . "O=C(c1ccc(c(c1)Nc1ccc2c(c1)c(=O)n(cn2)C)C)Nc1ccnc(c1)C(F)(F)F" . "O=C(c1ccc(c(c1)Nc1ccc2c(c1)c(=O)n(cn2)C)C)Nc1ccnc(c1)C(F)(F)F" . "QOTCLGLPFWDADD-UHFFFAOYSA-N" . "InChI=1S/C23H18F3N5O2/c1-13-3-4-14(21(32)30-16-7-8-27-20(11-16)23(24,25)26)9-19(13)29-15-5-6-18-17(10-15)22(33)31(2)12-28-18/h3-12,29H,1-2H3,(H,27,30,32)" . "CNC(C(=O)NC(C(=O)N1CCCC1C(=O)Nc1snnc1c1ccccc1)C1CCCCC1)C" . "CN[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1c1ccccc1)C1CCCCC1)C" . "WZRFLSDVFPIXOV-LRQRDZAKSA-N" . "InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1" . "CNC(C(=O)NC1CN(CCC2N(C1=O)C(CC2)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Cc1ccccc1)C" . "CN[C@H](C(=O)N[C@H]1CN(CC[C@@H]2N(C1=O)[C@@H](CC2)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)Cc1ccccc1)C" . "YBYZHVZWINISJO-XPSCAIQQSA-N" . "InChI=1S/C35H41N5O4/c1-24(36-2)33(42)37-29-23-39(31(41)22-25-12-6-3-7-13-25)21-20-28-18-19-30(40(28)35(29)44)34(43)38-32(26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17,24,28-30,32,36H,18-23H2,1-2H3,(H,37,42)(H,38,43)/t24-,28+,29-,30-/m0/s1" . "CN1CCN(CC1)CCOc1cc(OC2CCOCC2)c2c(c1)ncnc2Nc1c(Cl)ccc2c1OCO2" . "CN1CCN(CC1)CCOc1cc(OC2CCOCC2)c2c(c1)ncnc2Nc1c(Cl)ccc2c1OCO2" . "OUKYUETWWIPKQR-UHFFFAOYSA-N" . "InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31)" . "CNC(C(=O)NC1CN(CCC2N(C1=O)C(CC2)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CC(C)C)C" . "CN[C@H](C(=O)N[C@H]1CN(CC[C@@H]2N(C1=O)[C@@H](CC2)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CC(C)C)C" . "LSXUTRRVVSPWDZ-MKKUMYSQSA-N" . "InChI=1S/C32H43N5O4/c1-21(2)19-28(38)36-18-17-25-15-16-27(37(25)32(41)26(20-36)34-30(39)22(3)33-4)31(40)35-29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-14,21-22,25-27,29,33H,15-20H2,1-4H3,(H,34,39)(H,35,40)/t22-,25+,26-,27-/m0/s1" . "O=c1[nH]c(=S)n(c2c1[nH]cn2)CC1CCCO1" . "O=c1[nH]c(=S)n(c2c1[nH]cn2)C[C@H]1CCCO1" . "RSPDBEVKURKEII-ZCFIWIBFSA-N" . "InChI=1S/C10H12N4O2S/c15-9-7-8(12-5-11-7)14(10(17)13-9)4-6-2-1-3-16-6/h5-6H,1-4H2,(H,11,12)(H,13,15,17)/t6-/m1/s1" . "O=C(C1CC=NN1C(=O)C(c1ccc(cc1)F)O)NCc1cc(Cl)ccc1n1cnnn1" . "O=C([C@@H]1CC=NN1C(=O)[C@@H](c1ccc(cc1)F)O)NCc1cc(Cl)ccc1n1cnnn1" . "GMKHQRCPNMGCIX-ZWKOTPCHSA-N" . "InChI=1S/C20H17ClFN7O3/c21-14-3-6-16(28-11-24-26-27-28)13(9-14)10-23-19(31)17-7-8-25-29(17)20(32)18(30)12-1-4-15(22)5-2-12/h1-6,8-9,11,17-18,30H,7,10H2,(H,23,31)/t17-,18+/m0/s1" . "Fc1cc(Oc2cccnc2)cc(c1)n1nnc(n1)c1ccccn1" . "Fc1cc(Oc2cccnc2)cc(c1)n1nnc(n1)c1ccccn1" . "IQSMPFFGKFZZMI-UHFFFAOYSA-N" . "InChI=1S/C17H11FN6O/c18-12-8-13(10-15(9-12)25-14-4-3-6-19-11-14)24-22-17(21-23-24)16-5-1-2-7-20-16/h1-11H" . "CCC(=O)OC(C(=O)N1N=CCC1C(=O)NCc1cc(Cl)ccc1n1cnnn1)c1ccc(cc1)F" . "CCC(=O)O[C@@H](C(=O)N1N=CC[C@H]1C(=O)NCc1cc(Cl)ccc1n1cnnn1)c1ccc(cc1)F" . "YUHNXUAATAMVKD-PZJWPPBQSA-N" . "InChI=1S/C23H21ClFN7O4/c1-2-20(33)36-21(14-3-6-17(25)7-4-14)23(35)32-19(9-10-28-32)22(34)26-12-15-11-16(24)5-8-18(15)31-13-27-29-30-31/h3-8,10-11,13,19,21H,2,9,12H2,1H3,(H,26,34)/t19-,21+/m0/s1" . "O=C1C(=C(S(=O)(=O)N1C(C)(C)C)c1ccccc1)Nc1ccc(cc1)N1CCCCC1" . "O=C1C(=C(S(=O)(=O)N1C(C)(C)C)c1ccccc1)Nc1ccc(cc1)N1CCCCC1" . "IVANYIPLGFVBGR-UHFFFAOYSA-N" . "InChI=1S/C24H29N3O3S/c1-24(2,3)27-23(28)21(22(31(27,29)30)18-10-6-4-7-11-18)25-19-12-14-20(15-13-19)26-16-8-5-9-17-26/h4,6-7,10-15,25H,5,8-9,16-17H2,1-3H3" . "O=C(NC(c1ccc(cn1)OCC(F)(F)F)C)Cc1ccc(cc1)C1CC1" . "O=C(N[C@@H](c1ccc(cn1)OCC(F)(F)F)C)Cc1ccc(cc1)C1CC1" . "GEYDMBNDOVPFJL-CYBMUJFWSA-N" . "InChI=1S/C20H21F3N2O2/c1-13(18-9-8-17(11-24-18)27-12-20(21,22)23)25-19(26)10-14-2-4-15(5-3-14)16-6-7-16/h2-5,8-9,11,13,16H,6-7,10,12H2,1H3,(H,25,26)/t13-/m1/s1" . "Clc1cc(Cl)cc(c1)C(=O)NCC1(F)CCN(CC1)CC1CCOC(C1)(C)C" . "Clc1cc(Cl)cc(c1)C(=O)NCC1(F)CCN(CC1)C[C@H]1CCOC(C1)(C)C" . "DKNDOKIVCXTFHJ-HNNXBMFYSA-N" . "InChI=1S/C21H29Cl2FN2O2/c1-20(2)12-15(3-8-28-20)13-26-6-4-21(24,5-7-26)14-25-19(27)16-9-17(22)11-18(23)10-16/h9-11,15H,3-8,12-14H2,1-2H3,(H,25,27)/t15-/m0/s1" . "O=C(CC12CC3CC(C2)CC(C1)C3)Nc1cc(ccc1C)C(=O)N1CC2CNCC(C1)O2" . "O=C(CC12CC3CC(C2)CC(C1)C3)Nc1cc(ccc1C)C(=O)N1CC2CNCC(C1)O2" . "XYNNEMHCLNODBL-UHFFFAOYSA-N" . "InChI=1S/C26H35N3O3/c1-16-2-3-20(25(31)29-14-21-12-27-13-22(15-29)32-21)7-23(16)28-24(30)11-26-8-17-4-18(9-26)6-19(5-17)10-26/h2-3,7,17-19,21-22,27H,4-6,8-15H2,1H3,(H,28,30)" . "Clc1cccc(c1Cl)C1CCN(CC1)CCCOc1ccc2c(c1)ncs2" . "Clc1cccc(c1Cl)C1CCN(CC1)CCCOc1ccc2c(c1)ncs2" . "URYZTMIOHYGTNJ-UHFFFAOYSA-N" . "InChI=1S/C21H22Cl2N2OS/c22-18-4-1-3-17(21(18)23)15-7-10-25(11-8-15)9-2-12-26-16-5-6-20-19(13-16)24-14-27-20/h1,3-6,13-15H,2,7-12H2" . "Fc1cc(Cl)c(cc1S(=O)(=O)Nc1ccccc1F)C(=O)N1CCN2C(C1)CCC2" . "Fc1cc(Cl)c(cc1S(=O)(=O)Nc1ccccc1F)C(=O)N1CCN2[C@@H](C1)CCC2" . "AGPIHNZOZNKRGT-CYBMUJFWSA-N" . "InChI=1S/C20H20ClF2N3O3S/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1" . "O=C(c1cc(Cl)cc(c1)Cl)NCC1C2C1CN(C2)CCC(C)(C)C" . "O=C(c1cc(Cl)cc(c1)Cl)NC[C@@H]1[C@@H]2[C@H]1CN(C2)CCC(C)(C)C" . "GSJIGYLGKSBYBC-OSYLJGHBSA-N" . "InChI=1S/C19H26Cl2N2O/c1-19(2,3)4-5-23-10-16-15(17(16)11-23)9-22-18(24)12-6-13(20)8-14(21)7-12/h6-8,15-17H,4-5,9-11H2,1-3H3,(H,22,24)/t15-,16-,17+" . "C=CC(=O)Nc1cc(Nc2nccc(n2)c2cn(c3c2cccc3)C)c(cc1N(CCN(C)C)C)OC" . "C=CC(=O)Nc1cc(Nc2nccc(n2)c2cn(c3c2cccc3)C)c(cc1N(CCN(C)C)C)OC" . "DUYJMQONPNNFPI-UHFFFAOYSA-N" . "InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)" . "O=C(NC(C)(C)C)CN1CCC(CC1)CNC(=O)c1cc(F)cc(c1)Cl" . "O=C(NC(C)(C)C)CN1CCC(CC1)CNC(=O)c1cc(F)cc(c1)Cl" . "JOCLITFYIMJMNK-UHFFFAOYSA-N" . "InChI=1S/C19H27ClFN3O2/c1-19(2,3)23-17(25)12-24-6-4-13(5-7-24)11-22-18(26)14-8-15(20)10-16(21)9-14/h8-10,13H,4-7,11-12H2,1-3H3,(H,22,26)(H,23,25)" . "CNC(=O)CN1CCC(CC1)Oc1cc2c(ncnc2cc1OC)Nc1cccc(c1F)Cl" . "CNC(=O)CN1CCC(CC1)Oc1cc2c(ncnc2cc1OC)Nc1cccc(c1F)Cl" . "DFJSJLGUIXFDJP-UHFFFAOYSA-N" . "InChI=1S/C23H25ClFN5O3/c1-26-21(31)12-30-8-6-14(7-9-30)33-20-10-15-18(11-19(20)32-2)27-13-28-23(15)29-17-5-3-4-16(24)22(17)25/h3-5,10-11,13-14H,6-9,12H2,1-2H3,(H,26,31)(H,27,28,29)" . "Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C" . "Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C" . "SMQVBAGSZVHCJP-UHFFFAOYSA-N" . "InChI=1S/C25H24N4O2/c1-17-12-18(2)23(13-22(17)24-14-29(3)16-27-24)28-25(30)19-7-9-21(10-8-19)31-15-20-6-4-5-11-26-20/h4-14,16H,15H2,1-3H3,(H,28,30)" . "O=C(c1cnn(c1C(C)(C)C)c1ccc(cc1)C(=O)O)NC1C2CC3CC1CC(C2)C3" . "O=C(c1cnn(c1C(C)(C)C)c1ccc(cc1)C(=O)O)NC1C2CC3CC1CC(C2)C3" . "XWBXJBSVYVJAMZ-UHFFFAOYSA-N" . "InChI=1S/C25H31N3O3/c1-25(2,3)22-20(13-26-28(22)19-6-4-16(5-7-19)24(30)31)23(29)27-21-17-9-14-8-15(11-17)12-18(21)10-14/h4-7,13-15,17-18,21H,8-12H2,1-3H3,(H,27,29)(H,30,31)" . "OCc1cc(ccc1OC)c1ccc2c(n1)nc(nc2N1CCOCC1C)N1CCOCC1C" . "OCc1cc(ccc1OC)c1ccc2c(n1)nc(nc2N1CCOC[C@@H]1C)N1CCOC[C@@H]1C" . "KVLFRAWTRWDEDF-IRXDYDNUSA-N" . "InChI=1S/C25H31N5O4/c1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17-/m0/s1" . "NC(=O)Nc1cc(sc1C(=O)NC1CCCNC1)c1cccc(c1)F" . "NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)c1cccc(c1)F" . "IAYGCINLNONXHY-LBPRGKRZSA-N" . "InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1" . "CCCNC(=O)c1nnc2c(c1N)cccc2c1c(F)cccc1OC" . "CCCNC(=O)c1nnc2c(c1N)cccc2c1c(F)cccc1OC" . "KYDURMHFWXCKMW-UHFFFAOYSA-N" . "InChI=1S/C19H19FN4O2/c1-3-10-22-19(25)18-16(21)12-7-4-6-11(17(12)23-24-18)15-13(20)8-5-9-14(15)26-2/h4-9H,3,10H2,1-2H3,(H2,21,23)(H,22,25)" . "CCOc1cc2ncc(c(c2cc1N1CCN(CC1)C)Nc1ccc(cc1F)F)C(=O)N" . "CCOc1cc2ncc(c(c2cc1N1CCN(CC1)C)Nc1ccc(cc1F)F)C(=O)N" . "IBHNEKVLDKCEQY-UHFFFAOYSA-N" . "InChI=1S/C23H25F2N5O2/c1-3-32-21-12-19-15(11-20(21)30-8-6-29(2)7-9-30)22(16(13-27-19)23(26)31)28-18-5-4-14(24)10-17(18)25/h4-5,10-13H,3,6-9H2,1-2H3,(H2,26,31)(H,27,28)" . "CNC(C(=O)NC(C(=O)N1CCCC1C(=O)NC1C(OCC#CC#CCOC2Cc3c(C2NC(=O)C2CCCN2C(=O)C(C2CCCCC2)NC(=O)C(NC)C)cccc3)Cc2c1cccc2)C1CCCCC1)C" . "CN[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H](OCC#CC#CCO[C@@H]2Cc3c([C@@H]2NC(=O)[C@@H]2CCCN2C(=O)[C@H](C2CCCCC2)NC(=O)[C@@H](NC)C)cccc3)Cc2c1cccc2)C1CCCCC1)C" . "WLMCRYCCYXHPQF-ZVMUOSSASA-N" . "InChI=1S/C58H78N8O8/c1-37(59-3)53(67)61-49(39-21-9-7-10-22-39)57(71)65-31-19-29-45(65)55(69)63-51-43-27-15-13-25-41(43)35-47(51)73-33-17-5-6-18-34-74-48-36-42-26-14-16-28-44(42)52(48)64-56(70)46-30-20-32-66(46)58(72)50(40-23-11-8-12-24-40)62-54(68)38(2)60-4/h13-16,25-28,37-40,45-52,59-60H,7-12,19-24,29-36H2,1-4H3,(H,61,67)(H,62,68)(H,63,69)(H,64,70)/t37-,38-,45-,46-,47+,48+,49-,50-,51-,52-/m0/s1" . "OCCC(c1ccc(cc1)Cl)NC(=O)C1(N)CCN(CC1)c1ncnc2c1cc[nH]2" . "OCC[C@@H](c1ccc(cc1)Cl)NC(=O)C1(N)CCN(CC1)c1ncnc2c1cc[nH]2" . "JDUBGYFRJFOXQC-KRWDZBQOSA-N" . "InChI=1S/C21H25ClN6O2/c22-15-3-1-14(2-4-15)17(6-12-29)27-20(30)21(23)7-10-28(11-8-21)19-16-5-9-24-18(16)25-13-26-19/h1-5,9,13,17,29H,6-8,10-12,23H2,(H,27,30)(H,24,25,26)/t17-/m0/s1" . "NCCCN(C(c1nc2snc(c2c(=O)n1Cc1ccccc1)C)C(C)C)C(=O)c1ccc(cc1)C" . "NCCCN(C(c1nc2snc(c2c(=O)n1Cc1ccccc1)C)C(C)C)C(=O)c1ccc(cc1)C" . "SMFXSYMLJDHGIE-UHFFFAOYSA-N" . "InChI=1S/C28H33N5O2S/c1-18(2)24(32(16-8-15-29)27(34)22-13-11-19(3)12-14-22)25-30-26-23(20(4)31-36-26)28(35)33(25)17-21-9-6-5-7-10-21/h5-7,9-14,18,24H,8,15-17,29H2,1-4H3" . "COc1cc(CCc2[nH]nc(c2)NC(=O)c2ccc(cc2)N2CC(C)NC(C2)C)cc(c1)OC" . "COc1cc(CCc2[nH]nc(c2)NC(=O)c2ccc(cc2)N2C[C@H](C)N[C@@H](C2)C)cc(c1)OC" . "VRQMAABPASPXMW-HDICACEKSA-N" . "InChI=1S/C26H33N5O3/c1-17-15-31(16-18(2)27-17)22-9-6-20(7-10-22)26(32)28-25-13-21(29-30-25)8-5-19-11-23(33-3)14-24(12-19)34-4/h6-7,9-14,17-18,27H,5,8,15-16H2,1-4H3,(H2,28,29,30,32)/t17-,18+" . "COc1cc(ccc1Nc1ncc(c(n1)c1c[nH]c2c1cccc2)Cl)N1CCC(CC1)N" . "COc1cc(ccc1Nc1ncc(c(n1)c1c[nH]c2c1cccc2)Cl)N1CCC(CC1)N" . "GCYIGMXOIWJGBU-UHFFFAOYSA-N" . "InChI=1S/C24H25ClN6O/c1-32-22-12-16(31-10-8-15(26)9-11-31)6-7-21(22)29-24-28-14-19(25)23(30-24)18-13-27-20-5-3-2-4-17(18)20/h2-7,12-15,27H,8-11,26H2,1H3,(H,28,29,30)" . "NCC(CP(=O)O)F" . "NC[C@H](CP(=O)O)F" . "LJNUIEQATDYXJH-GSVOUGTGSA-N" . "InChI=1S/C3H9FNO2P/c4-3(1-5)2-8(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1" . "OC1CN(C1)CC(N(C(=O)c1ccc(c(c1)C)F)C)C(C)C" . "OC1CN(C1)C[C@@H](N(C(=O)c1ccc(c(c1)C)F)C)C(C)C" . "GAHPWXLXWUVMIV-MRXNPFEDSA-N" . "InChI=1S/C17H25FN2O2/c1-11(2)16(10-20-8-14(21)9-20)19(4)17(22)13-5-6-15(18)12(3)7-13/h5-7,11,14,16,21H,8-10H2,1-4H3/t16-/m1/s1" . "O=C(c1cnc2c(n1)cccc2)Nc1ccccc1c1cn2c(n1)scc2CN1CCNCC1" . "O=C(c1cnc2c(n1)cccc2)Nc1ccccc1c1cn2c(n1)scc2CN1CCNCC1" . "IASPBORHOMBZMY-UHFFFAOYSA-N" . "InChI=1S/C25H23N7OS/c33-24(22-13-27-20-7-3-4-8-21(20)28-22)29-19-6-2-1-5-18(19)23-15-32-17(16-34-25(32)30-23)14-31-11-9-26-10-12-31/h1-8,13,15-16,26H,9-12,14H2,(H,29,33)" . "C=CCn1c(=O)c2c(n1c1cccc(n1)C(O)(C)C)nc(nc2)Nc1ccc(cc1)N1CCN(CC1)C" . "C=CCn1c(=O)c2c(n1c1cccc(n1)C(O)(C)C)nc(nc2)Nc1ccc(cc1)N1CCN(CC1)C" . "BKWJAKQVGHWELA-UHFFFAOYSA-N" . "InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)" . "CC(Oc1n[nH]c(c1)Nc1nc(ncc1Cl)NC(c1ccc(cn1)F)C)C" . "CC(Oc1n[nH]c(c1)Nc1nc(ncc1Cl)NC(c1ccc(cn1)F)C)C" . "LBVKEEFIPBQIMD-UHFFFAOYSA-N" . "InChI=1S/C17H19ClFN7O/c1-9(2)27-15-6-14(25-26-15)23-16-12(18)8-21-17(24-16)22-10(3)13-5-4-11(19)7-20-13/h4-10H,1-3H3,(H3,21,22,23,24,25,26)" . "CNC(=O)c1cccc(c1)c1ccc2c(n1)nc(nc2N1CCOCC1C)N1CCOCC1C" . "CNC(=O)c1cccc(c1)c1ccc2c(n1)nc(nc2N1CCOC[C@@H]1C)N1CCOC[C@@H]1C" . "JUSFANSTBFGBAF-IRXDYDNUSA-N" . "InChI=1S/C25H30N6O3/c1-16-14-33-11-9-30(16)23-20-7-8-21(18-5-4-6-19(13-18)24(32)26-3)27-22(20)28-25(29-23)31-10-12-34-15-17(31)2/h4-8,13,16-17H,9-12,14-15H2,1-3H3,(H,26,32)/t16-,17-/m0/s1" . "NC1CCCN(C1)c1c(cccc1c1ccccc1)C=C1SC(=O)NC1=O" . "N[C@@H]1CCCN(C1)c1c(cccc1c1ccccc1)/C=C/1/SC(=O)NC1=O" . "MCUJKPPARUPFJM-UWCCDQBKSA-N" . "InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/b18-12-/t16-/m1/s1" . "[O-][N+](=O)c1ccc2c(c1)[nH]c(n2)COCc1nc2c([nH]1)cc(cc2)[N+](=O)[O-]" . "[O-][N+](=O)c1ccc2c(c1)[nH]c(n2)COCc1nc2c([nH]1)cc(cc2)[N+](=O)[O-]" . "ZQPXNYLXYNRFNP-UHFFFAOYSA-N" . "InChI=1S/C16H12N6O5/c23-21(24)9-1-3-11-13(5-9)19-15(17-11)7-27-8-16-18-12-4-2-10(22(25)26)6-14(12)20-16/h1-6H,7-8H2,(H,17,19)(H,18,20)" . "CCCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCCC(C1)CC(=O)O" . "CCCSc1nc(ccc1C(=O)NC1CCCCC1)N1CCC[C@H](C1)CC(=O)O" . "NCDZABJPWMBMIQ-INIZCTEOSA-N" . "InChI=1S/C22H33N3O3S/c1-2-13-29-22-18(21(28)23-17-8-4-3-5-9-17)10-11-19(24-22)25-12-6-7-16(15-25)14-20(26)27/h10-11,16-17H,2-9,12-15H2,1H3,(H,23,28)(H,26,27)/t16-/m0/s1" . "N#Cc1ccc2c(c1)CN(CC2)CCC1CCC(CC1)NC(=O)c1cc2c([nH]1)cccc2" . "N#Cc1ccc2c(c1)CN(CC2)CC[C@@H]1CC[C@H](CC1)NC(=O)c1cc2c([nH]1)cccc2" . "JGLGOAQPUQITLD-OGAOHHHESA-N" . "InChI=1S/C27H30N4O/c28-17-20-5-8-21-12-14-31(18-23(21)15-20)13-11-19-6-9-24(10-7-19)29-27(32)26-16-22-3-1-2-4-25(22)30-26/h1-5,8,15-16,19,24,30H,6-7,9-14,18H2,(H,29,32)/t19-,24-" . "COc1ccc(cc1C(=O)O)CN(C(c1ncc([nH]1)c1ccccc1)C)C(=O)C(Cc1c(C)cc(cc1C)C(=O)N)N" . "COc1ccc(cc1C(=O)O)CN([C@H](c1ncc([nH]1)c1ccccc1)C)C(=O)[C@H](Cc1c(C)cc(cc1C)C(=O)N)N" . "QFNHIDANIVGXPE-FNZWTVRRSA-N" . "InChI=1S/C32H35N5O5/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41)/t20-,26-/m0/s1" . "FC(Oc1cc(Cl)cc(c1)C(C(=O)N1CCC1C(=O)NCc1ccc(cc1)C(=N)N)O)F" . "FC(Oc1cc(Cl)cc(c1)[C@H](C(=O)N1CC[C@H]1C(=O)NCc1ccc(cc1)C(=N)N)O)F" . "QTUUCFVBSVJGOH-DLBZAZTESA-N" . "InChI=1S/C21H21ClF2N4O4/c22-14-7-13(8-15(9-14)32-21(23)24)17(29)20(31)28-6-5-16(28)19(30)27-10-11-1-3-12(4-2-11)18(25)26/h1-4,7-9,16-17,21,29H,5-6,10H2,(H3,25,26)(H,27,30)/t16-,17+/m0/s1" . "CN1CCN(CC1)c1ccc2c(c1)c(=O)n(cn2)c1cc(ccc1C)C(=O)NC1CC1" . "CN1CCN(CC1)c1ccc2c(c1)c(=O)n(cn2)c1cc(ccc1C)C(=O)NC1CC1" . "ZMAZXHICVRYLQN-UHFFFAOYSA-N" . "InChI=1S/C24H27N5O2/c1-16-3-4-17(23(30)26-18-5-6-18)13-22(16)29-15-25-21-8-7-19(14-20(21)24(29)31)28-11-9-27(2)10-12-28/h3-4,7-8,13-15,18H,5-6,9-12H2,1-2H3,(H,26,30)" . "CCN(C(=O)Cc1ccc(cc1)S(=O)(=O)C)C1CCN(CC1)CCC(c1cc(F)cc(c1)F)C1CCN(CC1)S(=O)(=O)C" . "CCN(C(=O)Cc1ccc(cc1)S(=O)(=O)C)C1CCN(CC1)CC[C@@H](c1cc(F)cc(c1)F)C1CCN(CC1)S(=O)(=O)C" . "QOSMEMHKXNNIGG-SSEXGKCCSA-N" . "InChI=1S/C31H43F2N3O5S2/c1-4-36(31(37)19-23-5-7-29(8-6-23)42(2,38)39)28-11-14-34(15-12-28)16-13-30(25-20-26(32)22-27(33)21-25)24-9-17-35(18-10-24)43(3,40)41/h5-8,20-22,24,28,30H,4,9-19H2,1-3H3/t30-/m1/s1" . "CCCN1CC(OCC1C)c1ccc(nc1)N" . "CCCN1C[C@H](OC[C@@H]1C)c1ccc(nc1)N" . "DFTCYTDJDXZFSK-JQWIXIFHSA-N" . "InChI=1S/C13H21N3O/c1-3-6-16-8-12(17-9-10(16)2)11-4-5-13(14)15-7-11/h4-5,7,10,12H,3,6,8-9H2,1-2H3,(H2,14,15)/t10-,12-/m0/s1" . "CON=C(c1ccc(cc1)CNC(=O)C1CCN1C(=O)C(c1cc(Cl)cc(c1)OC(F)F)O)N" . "CO/N=C(/c1ccc(cc1)CNC(=O)[C@@H]1CCN1C(=O)[C@@H](c1cc(Cl)cc(c1)OC(F)F)O)/N" . "XSNMGLZVFNDDPW-ZWKOTPCHSA-N" . "InChI=1S/C22H23ClF2N4O5/c1-33-28-19(26)13-4-2-12(3-5-13)11-27-20(31)17-6-7-29(17)21(32)18(30)14-8-15(23)10-16(9-14)34-22(24)25/h2-5,8-10,17-18,22,30H,6-7,11H2,1H3,(H2,26,28)(H,27,31)/t17-,18+/m0/s1" . "NC(c1ccccc1)Cc1ccccn1" . "N[C@H](c1ccccc1)Cc1ccccn1" . "FWUQWDCOOWEXRY-ZDUSSCGKSA-N" . "InChI=1S/C13H14N2/c14-13(11-6-2-1-3-7-11)10-12-8-4-5-9-15-12/h1-9,13H,10,14H2/t13-/m0/s1" . "CC(=O)Nc1cccc2c1c(Sc1ccc(cc1)Cl)c(n2CC(=O)O)C" . "CC(=O)Nc1cccc2c1c(Sc1ccc(cc1)Cl)c(n2CC(=O)O)C" . "JWYIGNODXSRKGP-UHFFFAOYSA-N" . "InChI=1S/C19H17ClN2O3S/c1-11-19(26-14-8-6-13(20)7-9-14)18-15(21-12(2)23)4-3-5-16(18)22(11)10-17(24)25/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25)" . "Oc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O" . "Oc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O" . "TZBJGXHYKVUXJN-UHFFFAOYSA-N" . "InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H" . "Cc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(c(c1)Cl)Cl" . "Cc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(c(c1)Cl)Cl" . "QVLZVRFIGXNZMN-UHFFFAOYSA-N" . "InChI=1S/C24H29Cl2N3O4S/c1-17-2-5-21(6-3-17)34(31,32)27-24(30)29-12-8-18(9-13-29)28-14-10-19(11-15-28)33-20-4-7-22(25)23(26)16-20/h2-7,16,18-19H,8-15H2,1H3,(H,27,30)" . "Cc1cc(cc2c1C(=O)N(C2)Cc1ccc(cc1)OC(F)(F)F)c1onc(n1)CN1CCNCC1" . "Cc1cc(cc2c1C(=O)N(C2)Cc1ccc(cc1)OC(F)(F)F)c1onc(n1)CN1CCNCC1" . "IPCYZQQFECEHLI-UHFFFAOYSA-N" . "InChI=1S/C24H24F3N5O3/c1-15-10-17(22-29-20(30-35-22)14-31-8-6-28-7-9-31)11-18-13-32(23(33)21(15)18)12-16-2-4-19(5-3-16)34-24(25,26)27/h2-5,10-11,28H,6-9,12-14H2,1H3" . "OC(=O)c1cccnc1Nc1ccc2c(c1)CN(C2)c1ccc(c(c1)Cl)Cl" . "OC(=O)c1cccnc1Nc1ccc2c(c1)CN(C2)c1ccc(c(c1)Cl)Cl" . "WNXIPCSWXVTKQF-UHFFFAOYSA-N" . "InChI=1S/C20H15Cl2N3O2/c21-17-6-5-15(9-18(17)22)25-10-12-3-4-14(8-13(12)11-25)24-19-16(20(26)27)2-1-7-23-19/h1-9H,10-11H2,(H,23,24)(H,26,27)" . "NC(C(=O)O)Cc1c[nH]cn1" . "N[C@H](C(=O)O)Cc1c[nH]cn1" . "HNDVDQJCIGZPNO-YFKPBYRVSA-N" . "InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1" . "OC(=O)c1ccccc1Nc1ccc(cc1)CCc1ccc(c(c1)Cl)Cl" . "OC(=O)c1ccccc1Nc1ccc(cc1)CCc1ccc(c(c1)Cl)Cl" . "ZCQOSCDABPVAFB-UHFFFAOYSA-N" . "InChI=1S/C21H17Cl2NO2/c22-18-12-9-15(13-19(18)23)6-5-14-7-10-16(11-8-14)24-20-4-2-1-3-17(20)21(25)26/h1-4,7-13,24H,5-6H2,(H,25,26)" . "OC(=O)CSc1nnc(n1c1ccc(c2c1cccc2)C1CC1)Br" . "OC(=O)CSc1nnc(n1c1ccc(c2c1cccc2)C1CC1)Br" . "FGQFOYHRJSUHMR-UHFFFAOYSA-N" . "InChI=1S/C17H14BrN3O2S/c18-16-19-20-17(24-9-15(22)23)21(16)14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14/h1-4,7-8,10H,5-6,9H2,(H,22,23)" . "O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2" . "O=c1ccc2c([nH]1)cc(cc2)OCCCCN1CCN(CC1)c1cccc2c1ccs2" . "ZKIAIYBUSXZPLP-UHFFFAOYSA-N" . "InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)" . "O=C(N(C)C)NC1CCC(CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl" . "O=C(N(C)C)N[C@@H]1CC[C@H](CC1)CCN1CCN(CC1)c1cccc(c1Cl)Cl" . "KPWSJANDNDDRMB-QAQDUYKDSA-N" . "InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-" . "CCN1CCN(CC1)c1nc2CCCCCCc2c(c1)c1ccc(cc1)F" . "CCN1CCN(CC1)c1nc2CCCCCCc2c(c1)c1ccc(cc1)F" . "XVGOZDAJGBALKS-UHFFFAOYSA-N" . "InChI=1S/C23H30FN3/c1-2-26-13-15-27(16-14-26)23-17-21(18-9-11-19(24)12-10-18)20-7-5-3-4-6-8-22(20)25-23/h9-12,17H,2-8,13-16H2,1H3" . "Clc1nc(Cl)c(cc1c1cc(=O)n2c([nH]1)c(c1ccccc1)c(n2)C(F)(F)F)F" . "Clc1nc(Cl)c(cc1c1cc(=O)n2c([nH]1)c(c1ccccc1)c(n2)C(F)(F)F)F" . "JEXACLGXUUYXDX-UHFFFAOYSA-N" . "InChI=1S/C18H8Cl2F4N4O/c19-15-9(6-10(21)16(20)26-15)11-7-12(29)28-17(25-11)13(8-4-2-1-3-5-8)14(27-28)18(22,23)24/h1-7,25H" . "Fc1ccc(cc1)C(=O)Nc1ccc(nc1)Cl" . "Fc1ccc(cc1)C(=O)Nc1ccc(nc1)Cl" . "URPKVELJRWKNQS-UHFFFAOYSA-N" . "InChI=1S/C12H8ClFN2O/c13-11-6-5-10(7-15-11)16-12(17)8-1-3-9(14)4-2-8/h1-7H,(H,16,17)" . "Clc1ccc(cn1)NC(=O)c1ccc(c(c1)F)F" . "Clc1ccc(cn1)NC(=O)c1ccc(c(c1)F)F" . "GDGUOCFTHNGPBK-UHFFFAOYSA-N" . "InChI=1S/C12H7ClF2N2O/c13-11-4-2-8(6-16-11)17-12(18)7-1-3-9(14)10(15)5-7/h1-6H,(H,17,18)" . "COc1ccc(cc1)c1csc(n1)NC(=O)C1CCCCN1S(=O)(=O)c1ccc(cc1)C" . "COc1ccc(cc1)c1csc(n1)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)C" . "OXQNLLVUVDAEHC-OAQYLSRUSA-N" . "InChI=1S/C23H25N3O4S2/c1-16-6-12-19(13-7-16)32(28,29)26-14-4-3-5-21(26)22(27)25-23-24-20(15-31-23)17-8-10-18(30-2)11-9-17/h6-13,15,21H,3-5,14H2,1-2H3,(H,24,25,27)/t21-/m1/s1" . "O=C(C1CC2CC1CC2)Nc1c(C)cc(cc1C)C" . "O=C(C1CC2CC1CC2)Nc1c(C)cc(cc1C)C" . "SIQGKPGBLYKQBB-UHFFFAOYSA-N" . "InChI=1S/C17H23NO/c1-10-6-11(2)16(12(3)7-10)18-17(19)15-9-13-4-5-14(15)8-13/h6-7,13-15H,4-5,8-9H2,1-3H3,(H,18,19)" . "CC(N1C(=S)SC(=Cc2ccc(cc2)N(C)C)C1=O)C(=O)O" . "CC(N1C(=S)S/C(=C/c2ccc(cc2)N(C)C)/C1=O)C(=O)O" . "XGTGMKYGVNHPTC-WQLSENKSSA-N" . "InChI=1S/C15H16N2O3S2/c1-9(14(19)20)17-13(18)12(22-15(17)21)8-10-4-6-11(7-5-10)16(2)3/h4-9H,1-3H3,(H,19,20)/b12-8-" . "S=C(Nc1c(C)cccc1Cl)NC(c1ccccc1)Cc1ccccc1" . "S=C(Nc1c(C)cccc1Cl)NC(c1ccccc1)Cc1ccccc1" . "LHTLPGOZLLOCIS-UHFFFAOYSA-N" . "InChI=1S/C22H21ClN2S/c1-16-9-8-14-19(23)21(16)25-22(26)24-20(18-12-6-3-7-13-18)15-17-10-4-2-5-11-17/h2-14,20H,15H2,1H3,(H2,24,25,26)" . "O=C(Nc1cccnc1)COc1ccc2c(c1Br)cccc2" . "O=C(Nc1cccnc1)COc1ccc2c(c1Br)cccc2" . "WLLRAGBPCSOJNH-UHFFFAOYSA-N" . "InChI=1S/C17H13BrN2O2/c18-17-14-6-2-1-4-12(14)7-8-15(17)22-11-16(21)20-13-5-3-9-19-10-13/h1-10H,11H2,(H,20,21)" . "OC(=O)CC1CCC(CC1)c1ccc(cc1)c1cc([nH]n1)C(F)(F)F" . "OC(=O)C[C@@H]1CC[C@H](CC1)c1ccc(cc1)c1cc([nH]n1)C(F)(F)F" . "YPHFQSYEKIEMNC-HAQNSBGRSA-N" . "InChI=1S/C18H19F3N2O2/c19-18(20,21)16-10-15(22-23-16)14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-17(24)25/h5-8,10-12H,1-4,9H2,(H,22,23)(H,24,25)/t11-,12-" . "CN(CCC=C1c2ccccc2SCc2c1cccc2)C" . "CN(CC/C=C/1/c2ccccc2SCc2c1cccc2)C" . "PHTUQLWOUWZIMZ-BOPFTXTBSA-N" . "InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-" . "O=C(Nc1ccc(cc1c1nn[nH]n1)Br)Nc1cccc(c1)C(F)(F)F" . "O=C(Nc1ccc(cc1c1nn[nH]n1)Br)Nc1cccc(c1)C(F)(F)F" . "JXPULDIATMTIIN-UHFFFAOYSA-N" . "InChI=1S/C15H10BrF3N6O/c16-9-4-5-12(11(7-9)13-22-24-25-23-13)21-14(26)20-10-3-1-2-8(6-10)15(17,18)19/h1-7H,(H2,20,21,26)(H,22,23,24,25)" . "OC(=O)COc1c(I)cc(cc1I)Cc1c(C)oc2c1cccc2" . "OC(=O)COc1c(I)cc(cc1I)Cc1c(C)oc2c1cccc2" . "OLIKCJUMYWSDIV-UHFFFAOYSA-N" . "InChI=1S/C18H14I2O4/c1-10-13(12-4-2-3-5-16(12)24-10)6-11-7-14(19)18(15(20)8-11)23-9-17(21)22/h2-5,7-8H,6,9H2,1H3,(H,21,22)" . "CCOc1cc2ncc(c(c2cc1NC(=O)C=CCN(C)C)Nc1ccc(c(c1)Cl)F)C#N" . "CCOc1cc2ncc(c(c2cc1NC(=O)/C=C/CN(C)C)Nc1ccc(c(c1)Cl)F)C#N" . "WVUNYSQLFKLYNI-AATRIKPKSA-N" . "InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+" . "OCC1OC(OC2CCC3(C(C2(C)C)CCC2(C3CC(O)C3C2(C)CCC3C(CCC=C(C)C)(O)C)C)C)C(C(C1O)O)OC1OC(CO)C(C(C1O)O)O" . "OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C[C@@H](O)[C@H]3[C@@]2(C)CC[C@@H]3[C@](CCC=C(C)C)(O)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O" . "RWXIFXNRCLMQCD-JBVRGBGGSA-N" . "InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1" . "COc1ccc2c(c1)c(ccn2)C(=O)CCC1CCN(CC1C(=O)O)CC#Cc1cc(F)cc(c1F)F" . "COc1ccc2c(c1)c(ccn2)C(=O)CC[C@@H]1CCN(C[C@@H]1C(=O)O)CC#Cc1cc(F)cc(c1F)F" . "VWNMWKSURFWKAL-HXOBKFHXSA-N" . "InChI=1S/C28H25F3N2O4/c1-37-20-5-6-25-22(15-20)21(8-10-32-25)26(34)7-4-17-9-12-33(16-23(17)28(35)36)11-2-3-18-13-19(29)14-24(30)27(18)31/h5-6,8,10,13-15,17,23H,4,7,9,11-12,16H2,1H3,(H,35,36)/t17-,23+/m1/s1" . "O=C(c1cccc(c1)[N+](=O)[O-])Nc1ccc(cc1)Oc1ccccc1" . "O=C(c1cccc(c1)[N+](=O)[O-])Nc1ccc(cc1)Oc1ccccc1" . "GDWKBKTVROCPNZ-UHFFFAOYSA-N" . "InChI=1S/C19H14N2O4/c22-19(14-5-4-6-16(13-14)21(23)24)20-15-9-11-18(12-10-15)25-17-7-2-1-3-8-17/h1-13H,(H,20,22)" . "CCCCC(=O)OC1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O" . "CCCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O" . "RSEPBGGWRJCQGY-RBRWEJTLSA-N" . "InChI=1S/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18-,19-,20+,21+,23+/m1/s1" . "N#CCC1(O)CCC2C1(C)CCC1=C3CCC(=O)C=C3CCC21" . "N#CC[C@]1(O)CC[C@@H]2[C@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@H]21" . "AZFLJNIPTRTECV-FUMNGEBKSA-N" . "InChI=1S/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20-/m1/s1" . "FCCCN1C2CCC1C(C(C2)c1ccc(cc1)I)C(=O)OC" . "FCCCN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(cc1)[123I])C(=O)OC" . "HXWLAJVUJSVENX-HFIFKADTSA-N" . "InChI=1S/C18H23FINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3/t14-,15+,16+,17-/m0/s1/i20-4" . "O=C1CCc2c(N1)cc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl" . "O=C1CCc2c(N1)cc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl" . "NGCKUAWDNUFNBB-UHFFFAOYSA-N" . "InChI=1S/C24H29Cl2N3O2/c25-20-5-3-6-22(24(20)26)29-13-4-12-28(14-15-29)11-1-2-16-31-19-9-7-18-8-10-23(30)27-21(18)17-19/h3,5-7,9,17H,1-2,4,8,10-16H2,(H,27,30)" . "O=C1CCc2c(N1)nc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl" . "O=C1CCc2c(N1)nc(cc2)OCCCCN1CCCN(CC1)c1cccc(c1Cl)Cl" . "JQSRFMXTGAVHIR-UHFFFAOYSA-N" . "InChI=1S/C23H28Cl2N4O2/c24-18-5-3-6-19(22(18)25)29-13-4-12-28(14-15-29)11-1-2-16-31-21-10-8-17-7-9-20(30)26-23(17)27-21/h3,5-6,8,10H,1-2,4,7,9,11-16H2,(H,26,27,30)" . "CNC(=O)c1cccc2c1ccc(c2)Oc1ccnc2c1cc(OC)c(c2)OCC1(N)CC1" . "CNC(=O)c1cccc2c1ccc(c2)Oc1ccnc2c1cc(OC)c(c2)OCC1(N)CC1" . "CUDVHEFYRIWYQD-UHFFFAOYSA-N" . "InChI=1S/C26H25N3O4/c1-28-25(30)19-5-3-4-16-12-17(6-7-18(16)19)33-22-8-11-29-21-14-24(23(31-2)13-20(21)22)32-15-26(27)9-10-26/h3-8,11-14H,9-10,15,27H2,1-2H3,(H,28,30)" . "N#CC1(CCCC1)c1ccc(cc1)NC(=O)c1cccnc1NCc1ccncc1" . "N#CC1(CCCC1)c1ccc(cc1)NC(=O)c1cccnc1NCc1ccncc1" . "WPEWQEMJFLWMLV-UHFFFAOYSA-N" . "InChI=1S/C24H23N5O/c25-17-24(11-1-2-12-24)19-5-7-20(8-6-19)29-23(30)21-4-3-13-27-22(21)28-16-18-9-14-26-15-10-18/h3-10,13-15H,1-2,11-12,16H2,(H,27,28)(H,29,30)" . "O=C(Nc1cn2c(c1C)c(ncn2)Nc1ccc2c(c1)cnn2Cc1cccc(c1)F)OCC1COCCN1" . "O=C(Nc1cn2c(c1C)c(ncn2)Nc1ccc2c(c1)cnn2Cc1cccc(c1)F)OC[C@@H]1COCCN1" . "LUJZZYWHBDHDQX-QFIPXVFZSA-N" . "InChI=1S/C27H27FN8O3/c1-17-23(34-27(37)39-15-22-14-38-8-7-29-22)13-36-25(17)26(30-16-32-36)33-21-5-6-24-19(10-21)11-31-35(24)12-18-3-2-4-20(28)9-18/h2-6,9-11,13,16,22,29H,7-8,12,14-15H2,1H3,(H,34,37)(H,30,32,33)/t22-/m0/s1" . "CN1CCC(CC1)Nc1ncc2c(n1)c(ncn2)Nc1ccc(c(c1)Cl)F" . "CN1CCC(CC1)Nc1ncc2c(n1)c(ncn2)Nc1ccc(c(c1)Cl)F" . "FTFRZXFNZVCRSK-UHFFFAOYSA-N" . "InChI=1S/C18H19ClFN7/c1-27-6-4-11(5-7-27)25-18-21-9-15-16(26-18)17(23-10-22-15)24-12-2-3-14(20)13(19)8-12/h2-3,8-11H,4-7H2,1H3,(H,21,25,26)(H,22,23,24)" . "CC1COC(=N1)Nc1ccc2c(c1)c(ncn2)Nc1ccc(c(c1)Cl)OCc1nccs1" . "C[C@@H]1COC(=N1)Nc1ccc2c(c1)c(ncn2)Nc1ccc(c(c1)Cl)OCc1nccs1" . "UWXSAYUXVSFDBQ-CYBMUJFWSA-N" . "InChI=1S/C22H19ClN6O2S/c1-13-10-31-22(27-13)29-14-2-4-18-16(8-14)21(26-12-25-18)28-15-3-5-19(17(23)9-15)30-11-20-24-6-7-32-20/h2-9,12-13H,10-11H2,1H3,(H,27,29)(H,25,26,28)/t13-/m1/s1" . "Clc1ccc(cc1)SC(P(=O)(O)O)P(=O)(O)O" . "Clc1ccc(cc1)SC(P(=O)(O)O)P(=O)(O)O" . "DKJJVAGXPKPDRL-UHFFFAOYSA-N" . "InChI=1S/C7H9ClO6P2S/c8-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14/h1-4,7H,(H2,9,10,11)(H2,12,13,14)" . "CCN1CCN(CC1)Cc1ccc(cc1)c1cc2c([nH]1)ncnc2NC(c1ccccc1)C" . "CCN1CCN(CC1)Cc1ccc(cc1)c1cc2c([nH]1)ncnc2N[C@@H](c1ccccc1)C" . "OONFNUWBHFSNBT-HXUWFJFHSA-N" . "InChI=1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m1/s1" . "Oc1ccc(cc1)c1[nH]c2c(c1)c(ncn2)NC(c1ccccc1)C" . "Oc1ccc(cc1)c1[nH]c2c(c1)c(ncn2)N[C@@H](c1ccccc1)C" . "XRYJULCDUUATMC-CYBMUJFWSA-N" . "InChI=1S/C20H18N4O/c1-13(14-5-3-2-4-6-14)23-19-17-11-18(24-20(17)22-12-21-19)15-7-9-16(25)10-8-15/h2-13,25H,1H3,(H2,21,22,23,24)/t13-/m1/s1" . "C#Cc1cccc(c1)Nc1ncnc2c1cc1OCCOCCOCCOc1c2" . "C#Cc1cccc(c1)Nc1ncnc2c1cc1OCCOCCOCCOc1c2" . "QQLKULDARVNMAL-UHFFFAOYSA-N" . "InChI=1S/C22H21N3O4/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20/h1,3-5,12-15H,6-11H2,(H,23,24,25)" . "COc1cc2ncnc(c2cc1OCCN1CC2(C3(C1)CC3)OCCO2)Nc1ccc(c(c1)Cl)F" . "COc1cc2ncnc(c2cc1OCCN1CC2(C3(C1)CC3)OCCO2)Nc1ccc(c(c1)Cl)F" . "OXWUWXCJDBRCCG-UHFFFAOYSA-N" . "InChI=1S/C25H26ClFN4O4/c1-32-21-12-20-17(23(29-15-28-20)30-16-2-3-19(27)18(26)10-16)11-22(21)33-7-6-31-13-24(4-5-24)25(14-31)34-8-9-35-25/h2-3,10-12,15H,4-9,13-14H2,1H3,(H,28,29,30)" . "CCN(C(=O)c1c(O)c2c(Cl)cccc2n(c1=O)C)c1ccccc1" . "CCN(C(=O)c1c(O)c2c(Cl)cccc2n(c1=O)C)c1ccccc1" . "GKWPCEFFIHSJOE-UHFFFAOYSA-N" . "InChI=1S/C19H17ClN2O3/c1-3-22(12-8-5-4-6-9-12)19(25)16-17(23)15-13(20)10-7-11-14(15)21(2)18(16)24/h4-11,23H,3H2,1-2H3" . "O=c1[nH]c2cc(c(cc2n(c1=O)CP(=O)(O)O)N1CCOCC1)C(F)(F)F" . "O=c1[nH]c2cc(c(cc2n(c1=O)CP(=O)(O)O)N1CCOCC1)C(F)(F)F" . "WZMQMKNCWDCCMT-UHFFFAOYSA-N" . "InChI=1S/C14H15F3N3O6P/c15-14(16,17)8-5-9-11(6-10(8)19-1-3-26-4-2-19)20(7-27(23,24)25)13(22)12(21)18-9/h5-6H,1-4,7H2,(H,18,21)(H2,23,24,25)" . "Clc1cccc(c1CON=Cc1cc[n+](cc1)CCC[n+]1ccc(cc1)C=NOCc1c(Cl)cccc1Cl)Cl" . "Clc1cccc(c1CO/N=C/c1cc[n+](cc1)CCC[n+]1ccc(cc1)/C=N/OCc1c(Cl)cccc1Cl)Cl" . "RAHLDBGBLYIYDN-WKCPDWHCSA-N" . "InChI=1S/C29H26Cl4N4O2/c30-26-4-1-5-27(31)24(26)20-38-34-18-22-8-14-36(15-9-22)12-3-13-37-16-10-23(11-17-37)19-35-39-21-25-28(32)6-2-7-29(25)33/h1-2,4-11,14-19H,3,12-13,20-21H2/q+2/b34-18+,35-19+" . "C1CN=C(N1)COc1ccccc1C1CC1" . "C1CN=C(N1)COc1ccccc1C1CC1" . "YAORIDZYZDUZCM-UHFFFAOYSA-N" . "InChI=1S/C13H16N2O/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)" . "O=C1N(CCC[N+](CCCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2" . "O=C1N(CCC[N+](CCCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2" . "OSALRKZRWVYPFR-UHFFFAOYSA-N" . "InChI=1S/C33H46N4O4/c1-36(2,24-14-20-34-30(38)26-16-8-9-17-27(26)31(34)39)22-12-6-5-7-13-23-37(3,4)25-15-21-35-32(40)28-18-10-11-19-29(28)33(35)41/h8-11,16-19H,5-7,12-15,20-25H2,1-4H3/q+2" . "O=C(C1Sc2c(C1N)c(C)cc(n2)C)NCc1ccc(cc1)Cl" . "O=C(C1Sc2c(C1N)c(C)cc(n2)C)NCc1ccc(cc1)Cl" . "IKKFWVKRPITRNW-UHFFFAOYSA-N" . "InChI=1S/C17H18ClN3OS/c1-9-7-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-3-5-12(18)6-4-11/h3-7,14-15H,8,19H2,1-2H3,(H,20,22)" . "Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O" . "Brc1ccc(cc1)CN1c2ccccc2C(=O)C1=O" . "DELLOEULSHGYCG-UHFFFAOYSA-N" . "InChI=1S/C15H10BrNO2/c16-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)14(18)15(17)19/h1-8H,9H2" . "Clc1ccc(cc1)C12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F" . "Clc1ccc(cc1)[C@]12N(CCN1C(=O)c1c2cccc1)C(=O)c1ccc(c(c1)F)F" . "GXBAKXRLQAPKEE-QHCPKHFHSA-N" . "InChI=1S/C23H15ClF2N2O2/c24-16-8-6-15(7-9-16)23-18-4-2-1-3-17(18)22(30)28(23)12-11-27(23)21(29)14-5-10-19(25)20(26)13-14/h1-10,13H,11-12H2/t23-/m0/s1" . "CCCCCCCCCC(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C" . "CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C" . "LBERVHLCXUMDOT-MPZZESAYSA-N" . "InChI=1S/C29H46O3/c1-4-5-6-7-8-9-10-11-27(31)32-26-15-14-24-23-13-12-21-20-22(30)16-18-28(21,2)25(23)17-19-29(24,26)3/h20,23-26H,4-19H2,1-3H3/t23-,24-,25-,26-,28-,29-/m0/s1" . "CC(CCC(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)C" . "CC(CCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C" . "PPYHLSBUTAPNGT-BKWLFHPQSA-N" . "InChI=1S/C25H38O3/c1-16(2)5-10-23(27)28-22-9-8-20-19-7-6-17-15-18(26)11-13-24(17,3)21(19)12-14-25(20,22)4/h15-16,19-22H,5-14H2,1-4H3/t19-,20-,21-,22-,24-,25-/m0/s1" . "O=C(OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)CCc1ccccc1" . "O=C(O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)CCc1ccccc1" . "HHSXYDOROIURIP-FEZCWRLCSA-N" . "InChI=1S/C28H36O3/c1-27-16-14-21(29)18-20(27)9-10-22-23-11-12-25(28(23,2)17-15-24(22)27)31-26(30)13-8-19-6-4-3-5-7-19/h3-7,18,22-25H,8-17H2,1-2H3/t22-,23-,24-,25-,27-,28-/m0/s1" . "Ic1ccc(c(c1)F)Nc1c(ccc(c1F)F)C(=O)N1CC(C1)(O)C1CCCCN1" . "Ic1ccc(c(c1)F)Nc1c(ccc(c1F)F)C(=O)N1CC(C1)(O)[C@@H]1CCCCN1" . "BSMCAPRUBJMWDF-KRWDZBQOSA-N" . "InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2/t17-/m0/s1" . "COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2" . "COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2" . "MNHDKMDLOJSCGN-UHFFFAOYSA-N" . "InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)" . "Fc1ccc(cc1)C1C(OCCN1Cc1nc(=O)n([nH]1)P(=O)(O)O)OC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C" . "Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1nc(=O)n([nH]1)P(=O)(O)O)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C" . "BARDROPHSZEBKC-OITMNORJSA-N" . "InChI=1S/C23H22F7N4O6P/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)40-20-19(13-2-4-17(24)5-3-13)33(6-7-39-20)11-18-31-21(35)34(32-18)41(36,37)38/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H,31,32,35)(H2,36,37,38)/t12-,19+,20-/m1/s1" . "S=P(N1CC1)(N1CC1)N1CC1" . "S=P(N1CC1)(N1CC1)N1CC1" . "FOCVUCIESVLUNU-UHFFFAOYSA-N" . "InChI=1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2" . "ClCCN(c1c[nH]c(=O)[nH]c1=O)CCCl" . "ClCCN(c1c[nH]c(=O)[nH]c1=O)CCCl" . "IDPUKCWIGUEADI-UHFFFAOYSA-N" . "InChI=1S/C8H11Cl2N3O2/c9-1-3-13(4-2-10)6-5-11-8(15)12-7(6)14/h5H,1-4H2,(H2,11,12,14,15)" . "ClCCN(c1ccc(cc1)CC(C(=O)O)N)CCCl" . "ClCCN(c1ccc(cc1)C[C@@H](C(=O)O)N)CCCl" . "SGDBTWWWUNNDEQ-LBPRGKRZSA-N" . "InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1" . "CCN(CCOc1ccc(cc1)C(=C(c1ccccc1)Cl)c1ccccc1)CC" . "CCN(CCOc1ccc(cc1)/C(=C(/c1ccccc1)/Cl)/c1ccccc1)CC" . "GKIRPKYJQBWNGO-OCEACIFDSA-N" . "InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25+" . "CNC(=NC)NCc1ccccc1" . "CNC(=NC)NCc1ccccc1" . "NIVZHWNOUVJHKV-UHFFFAOYSA-N" . "InChI=1S/C10H15N3/c1-11-10(12-2)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,11,12,13)" . "OCC(COc1ccccc1OC)O" . "OCC(COc1ccccc1OC)O" . "HSRJKNPTNIJEKV-UHFFFAOYSA-N" . "InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3" . "Nc1ccc(c(n1)N)N=Nc1ccccc1" . "Nc1ccc(c(n1)N)N=Nc1ccccc1" . "QPFYXYFORQJZEC-UHFFFAOYSA-N" . "InChI=1S/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14)" . "CCCC(C1(CC=C)C(=O)NC(=O)NC1=O)C" . "CCCC(C1(CC=C)C(=O)NC(=O)NC1=O)C" . "KQPKPCNLIDLUMF-UHFFFAOYSA-N" . "InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)" . "COc1cc(cc(c1OC)OC)C(=O)NCc1ccc(cc1)OCCN(C)C" . "COc1cc(cc(c1OC)OC)C(=O)NCc1ccc(cc1)OCCN(C)C" . "FEZBIKUBAYAZIU-UHFFFAOYSA-N" . "InChI=1S/C21H28N2O5/c1-23(2)10-11-28-17-8-6-15(7-9-17)14-22-21(24)16-12-18(25-3)20(27-5)19(13-16)26-4/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24)" . "COc1cc(NCc2ccc3c(c2C)c(N)nc(n3)N)cc(c1OC)OC" . "COc1cc(NCc2ccc3c(c2C)c(N)nc(n3)N)cc(c1OC)OC" . "NOYPYLRCIDNJJB-UHFFFAOYSA-N" . "InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)" . "CN1C(=O)CC(C1=O)c1ccccc1" . "CN1C(=O)CC(C1=O)c1ccccc1" . "WLWFNJKHKGIJNW-UHFFFAOYSA-N" . "InChI=1S/C11H11NO2/c1-12-10(13)7-9(11(12)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3" . "COCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)c1ccc(cc1)NCCCC" . "COCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)c1ccc(cc1)NCCCC" . "MAFMQEKGGFWBAB-UHFFFAOYSA-N" . "InChI=1S/C30H53NO11/c1-3-4-9-31-29-7-5-28(6-8-29)30(32)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33-2/h5-8,31H,3-4,9-27H2,1-2H3" . "CCCC(COC(=O)N)(COC(=O)NC(C)C)C" . "CCCC(COC(=O)N)(COC(=O)NC(C)C)C" . "OFZCIYFFPZCNJE-UHFFFAOYSA-N" . "InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)" . "O=C1NCC(O1)COc1cc(C)cc(c1)C" . "O=C1NCC(O1)COc1cc(C)cc(c1)C" . "IMWZZHHPURKASS-UHFFFAOYSA-N" . "InChI=1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)" . "OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O" . "OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O" . "IMZMKUWMOSJXDT-UHFFFAOYSA-N" . "InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)" . "CCCc1c2oc(cc(=O)c2cc2c1n(CC)c(cc2=O)C(=O)O)C(=O)O" . "CCCc1c2oc(cc(=O)c2cc2c1n(CC)c(cc2=O)C(=O)O)C(=O)O" . "RQTOOFIXOKYGAN-UHFFFAOYSA-N" . "InChI=1S/C19H17NO7/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26)" . "OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2C1CC(C1=CC(=O)CCC21C)F)(C)C" . "OCC(=O)[C@@]12OC(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@H]2[C@H]1C[C@@H](C1=CC(=O)CC[C@]21C)F)(C)C" . "POPFMWWJOGLOIF-XWCQMRHXSA-N" . "InChI=1S/C24H33FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h7,13-14,16-17,19-20,26,28H,5-6,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1" . "CCOC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)C(=O)COC(=O)CC" . "CCOC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C)C(=O)COC(=O)CC" . "FNPXMHRZILFCKX-KAJVQRHHSA-N" . "InChI=1S/C27H36O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h9,11,13,18-20,23,29H,5-8,10,12,14-15H2,1-4H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1" . "COc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1" . "COc1ccc2c(c1)N(C[C@@H](CN(C)C)C)c1c(S2)cccc1" . "VRQVVMDWGGWHTJ-CQSZACIVSA-N" . "InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-/m1/s1" . "CCCN1CCCCC1C(=O)Nc1c(C)cccc1C" . "CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C" . "ZKMNUMMKYBVTFN-HNNXBMFYSA-N" . "InChI=1S/C17H26N2O/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1" . "CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1" . "CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1" . "GIJXKZJWITVLHI-PMOLBWCYSA-N" . "InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20+" . "CC(=CC=CC(=CC(=O)O)C)C=CC1=C(C)CCCC1(C)C" . "C/C(=C/C=C/C(=C/C(=O)O)/C)/C=C/C1=C(C)CCCC1(C)C" . "SHGAZHPCJJPHSC-XFYACQKRSA-N" . "InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14-" . "CCOC(=O)C=C(C=CC=C(C=Cc1c(C)cc(c(c1C)C)OC)C)C" . "CCOC(=O)/C=C(/C=C/C=C(/C=C/c1c(C)cc(c(c1C)C)OC)/C)/C" . "HQMNCQVAMBCHCO-DJRRULDNSA-N" . "InChI=1S/C23H30O3/c1-8-26-23(24)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(25-7)20(6)19(21)5/h9-15H,8H2,1-7H3/b11-9+,13-12+,16-10+,17-14+" . "COc1cc(C)c(c(c1C)C)C=CC(=CC=CC(=CC(=O)O)C)C" . "COc1cc(C)c(c(c1C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C" . "IHUNBGSDBOWDMA-AQFIFDHZSA-N" . "InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)/b9-7+,11-10+,14-8+,15-12+" . "ON=Cc1cccc[n+]1C" . "O/N=C/c1cccc[n+]1C" . "JBKPUQTUERUYQE-UHFFFAOYSA-O" . "InChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1" . "OC(COc1cccc2c1cccc2)CNC(C)C" . "O[C@@H](COc1cccc2c1cccc2)CNC(C)C" . "AQHHHDLHHXJYJD-CQSZACIVSA-N" . "InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1" . "Oc1ccc2c(c1)C13CCCCC3C(C2)N(CC1)C" . "Oc1ccc2c(c1)[C@]13CCCC[C@H]3[C@@H](C2)N(CC1)C" . "JAQUASYNZVUNQP-USXIJHARSA-N" . "InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1" . "COc1ccc2c3c1OC1C43CCN(C(C2)C4CCC1O)C" . "COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4CC[C@@H]1O)C" . "RBOXVHNMENFORY-DNJOTXNNSA-N" . "InChI=1S/C18H23NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1" . "CCC(=O)OC(c1ccccc1)(C(CN(C)C)C)Cc1ccccc1" . "CCC(=O)O[C@](c1ccccc1)([C@@H](CN(C)C)C)Cc1ccccc1" . "XLMALTXPSGQGBX-GCJKJVERSA-N" . "InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22+/m1/s1" . "N#CC(c1ccccc1)(c1ccccc1)CCN1CCC(CC1)(C(=O)O)c1ccccc1" . "N#CC(c1ccccc1)(c1ccccc1)CCN1CCC(CC1)(C(=O)O)c1ccccc1" . "UFIVBRCCIRTJTN-UHFFFAOYSA-N" . "InChI=1S/C28H28N2O2/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23/h1-15H,16-21H2,(H,31,32)" . "Oc1ccc2c(c1)C13CCCCC3(C(C2)N(CC1)CC1CCC1)O" . "Oc1ccc2c(c1)[C@]13CCCC[C@]3([C@@H](C2)N(CC1)CC1CCC1)O" . "IFKLAQQSCNILHL-QHAWAJNXSA-N" . "InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21-/m1/s1" . "C#CC1(O)CCC2C1(CC)CC(=C)C1C2CCC2=CC(=O)CCC12" . "C#C[C@]1(O)CC[C@@H]2[C@]1(CC)CC(=C)[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12" . "GCKFUYQCUCGESZ-BPIQYHPVSA-N" . "InChI=1S/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCC(=O)N1)CCC(=O)N)CC(=O)O)Cc1ccc(cc1)OS(=O)(=O)O" . "CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CCC(=O)N)CC(=O)O)Cc1ccc(cc1)OS(=O)(=O)O" . "YRALAIOMGQZKOW-HYAOXDFASA-N" . "InChI=1S/C58H73N13O21S2/c1-29(72)49(71-57(87)40(23-31-12-14-33(15-13-31)92-94(89,90)91)68-56(86)43(26-48(78)79)69-52(82)37(16-18-44(59)73)65-51(81)36-17-19-45(74)63-36)58(88)62-28-46(75)64-41(24-32-27-61-35-11-7-6-10-34(32)35)54(84)66-38(20-21-93-2)53(83)70-42(25-47(76)77)55(85)67-39(50(60)80)22-30-8-4-3-5-9-30/h3-15,27,29,36-43,49,61,72H,16-26,28H2,1-2H3,(H2,59,73)(H2,60,80)(H,62,88)(H,63,74)(H,64,75)(H,65,81)(H,66,84)(H,67,85)(H,68,86)(H,69,82)(H,70,83)(H,71,87)(H,76,77)(H,78,79)(H,89,90,91)/t29-,36+,37+,38+,39+,40+,41+,42+,43+,49+/m1/s1" . "CN(CCC(c1ccccn1)c1ccc(cc1)Br)C" . "CN(CC[C@H](c1ccccn1)c1ccc(cc1)Br)C" . "ZDIGNSYAACHWNL-HNNXBMFYSA-N" . "InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m0/s1" . "O=Cc1cnc2n1CCc1c(C2=C2CCN(CC2)C)cccc1" . "O=Cc1cnc2n1CCc1c(C2=C2CCN(CC2)C)cccc1" . "MWTBKTRZPHJQLH-UHFFFAOYSA-N" . "InChI=1S/C19H21N3O/c1-21-9-6-15(7-10-21)18-17-5-3-2-4-14(17)8-11-22-16(13-23)12-20-19(18)22/h2-5,12-13H,6-11H2,1H3" . "COC(=O)N1CCC2C1CCCC2(O)C#Cc1cccc(c1)C" . "COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#Cc1cccc(c1)C" . "ZFPZEYHRWGMJCV-ZHALLVOQSA-N" . "InChI=1S/C19H23NO3/c1-14-5-3-6-15(13-14)8-11-19(22)10-4-7-17-16(19)9-12-20(17)18(21)23-2/h3,5-6,13,16-17,22H,4,7,9-10,12H2,1-2H3/t16-,17-,19-/m1/s1" . "CCS(=O)c1nc(cc(n1)C(F)(F)F)c1cccc(c1)OCc1ccccc1" . "CCS(=O)c1nc(cc(n1)C(F)(F)F)c1cccc(c1)OCc1ccccc1" . "NTDFYGSSDDMNHI-UHFFFAOYSA-N" . "InChI=1S/C20H17F3N2O2S/c1-2-28(26)19-24-17(12-18(25-19)20(21,22)23)15-9-6-10-16(11-15)27-13-14-7-4-3-5-8-14/h3-12H,2,13H2,1H3" . "CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)N1CCc2c1ccc(c2)Oc1ncnc(c1)NC(=O)C" . "CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)N1CCc2c1ccc(c2)Oc1ncnc(c1)NC(=O)C" . "VQLNKQZLPGLOSI-UHFFFAOYSA-N" . "InChI=1S/C28H30F3N7O3/c1-18(39)34-25-15-26(33-17-32-25)41-22-5-6-24-19(13-22)7-8-38(24)27(40)35-21-4-3-20(23(14-21)28(29,30)31)16-37-11-9-36(2)10-12-37/h3-6,13-15,17H,7-12,16H2,1-2H3,(H,35,40)(H,32,33,34,39)" . "OC(COc1cccc2c1c(I)c([nH]2)C#N)CNC(C)C" . "OC(COc1cccc2c1c(I)c([nH]2)C#N)CNC(C)C" . "WGSPBWSPJOBKNT-UHFFFAOYSA-N" . "InChI=1S/C15H18IN3O2/c1-9(2)18-7-10(20)8-21-13-5-3-4-11-14(13)15(16)12(6-17)19-11/h3-5,9-10,18-20H,7-8H2,1-2H3" . "COc1ccc(cc1)CC(NCC(c1ccc(c2c1ccc(=O)[nH]2)O)O)C" . "COc1ccc(cc1)C[C@H](NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O)C" . "IHOXNOQMRZISPV-YJYMSZOUSA-N" . "InChI=1S/C21H24N2O4/c1-13(11-14-3-5-15(27-2)6-4-14)22-12-19(25)16-7-9-18(24)21-17(16)8-10-20(26)23-21/h3-10,13,19,22,24-25H,11-12H2,1-2H3,(H,23,26)/t13-,19+/m1/s1" . "Nc1ncc(cc1OC(c1c(Cl)ccc(c1Cl)F)C)c1cnn(c1)C1CCNCC1" . "Nc1ncc(cc1O[C@H](c1c(Cl)ccc(c1Cl)F)C)c1cnn(c1)C1CCNCC1" . "KTEIFNKAUNYNJU-LBPRGKRZSA-N" . "InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m0/s1" . "CC(Oc1ccc(cc1)c1ccnc(c1)NC(P(=O)(O)O)P(=O)(O)O)C" . "CC(Oc1ccc(cc1)c1ccnc(c1)NC(P(=O)(O)O)P(=O)(O)O)C" . "DTXBFSJBRGLOHO-UHFFFAOYSA-N" . "InChI=1S/C15H20N2O7P2/c1-10(2)24-13-5-3-11(4-6-13)12-7-8-16-14(9-12)17-15(25(18,19)20)26(21,22)23/h3-10,15H,1-2H3,(H,16,17)(H2,18,19,20)(H2,21,22,23)" . "COc1cccc(c1OC)C1OC(CC(=O)N2CCC(CC2)CC(=O)O)c2n(c3c1cc(Cl)cc3)ccc2" . "COc1cccc(c1OC)[C@H]1O[C@H](CC(=O)N2CCC(CC2)CC(=O)O)c2n(c3c1cc(Cl)cc3)ccc2" . "MSSQOQPKGAMUSY-LEAFIULHSA-N" . "InChI=1S/C29H31ClN2O6/c1-36-24-7-3-5-20(29(24)37-2)28-21-16-19(30)8-9-22(21)32-12-4-6-23(32)25(38-28)17-26(33)31-13-10-18(11-14-31)15-27(34)35/h3-9,12,16,18,25,28H,10-11,13-15,17H2,1-2H3,(H,34,35)/t25-,28-/m1/s1" . "CN1CCc2c(C1)sc(n2)C(=O)NC1CC(CCC1NC(=O)C(=O)Nc1ccc(cn1)Cl)C(=O)N(C)C" . "CN1CCc2c(C1)sc(n2)C(=O)N[C@@H]1C[C@H](CC[C@@H]1NC(=O)C(=O)Nc1ccc(cn1)Cl)C(=O)N(C)C" . "HGVDHZBSSITLCT-JLJPHGGASA-N" . "InChI=1S/C24H30ClN7O4S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34)/t13-,15-,17+/m0/s1" . "N#CC1=CC2(C)C(C(C1=O)(C)C)CCC1(C2=CC(=O)C2C1(C)CCC1(C2CC(C)(C)CC1)NC(=O)C(F)(F)C)C" . "N#CC1=C[C@@]2(C)[C@H](C(C1=O)(C)C)CC[C@@]1(C2=CC(=O)[C@H]2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)NC(=O)C(F)(F)C)C" . "RJCWBNBKOKFWNY-IDPLTSGASA-N" . "InChI=1S/C33H44F2N2O3/c1-27(2)11-13-33(37-26(40)32(8,34)35)14-12-31(7)24(20(33)17-27)21(38)15-23-29(5)16-19(18-36)25(39)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3,(H,37,40)/t20-,22-,24-,29-,30+,31+,33-/m0/s1" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)CCCNC(=N)N)[C@H](O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](CC)C)NC(=O)CN)CCC(=O)O)CCC(=O)N)C(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)CC(C)C)Cc1ccc(cc1)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)Cc1[nH]cnc1)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1ccccc1)N)CC(=O)N)CCC(=O)N)Cc1[nH]cnc1)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)[C@H](CC)C)CO)[C@H](O)C)C(=O)NCC(=O)O)CCC(=O)O)CCCNC(=N)N)Cc1ccccc1)Cc1ccc(cc1)O" . "CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)CC(C)C)Cc2ccc(cc2)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)Cc2ccc(cc2)O)C(=O)NCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C)CC(C)C)Cc2ccc(cc2)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)Cc2cnc[nH]2)CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)[C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN" . "COCFEDIXXNGUNL-RFKWWTKHSA-N" . "NC(=N)c1ccccc1" . "NC(=N)c1ccccc1" . "PXXJHWLDUBFPOL-UHFFFAOYSA-N" . "InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)" . "OC(=O)Cc1cccc(c1N)C(=O)c1ccccc1" . "OC(=O)Cc1cccc(c1N)C(=O)c1ccccc1" . "SOYCMDCMZDHQFP-UHFFFAOYSA-N" . "InChI=1S/C15H13NO3/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10/h1-8H,9,16H2,(H,17,18)" . "O=C1CCC2(C34C1Oc1c4c(CC2[N+](CC3)(C)CC2CC2)ccc1O)O" . "O=C1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2[N+](CC3)(C)CC2CC2)ccc1O)O" . "JVLBPIPGETUEET-GAAHOAFPSA-O" . "InChI=1S/C21H25NO4/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13/h4-5,12,16,19,25H,2-3,6-11H2,1H3/p+1/t16-,19+,20+,21-,22?/m1/s1" . "CC(=O)Oc1sc2c(c1)CN(CC2)C(c1ccccc1F)C(=O)C1CC1" . "CC(=O)Oc1sc2c(c1)CN(CC2)C(c1ccccc1F)C(=O)C1CC1" . "DTGLZDAWLRGWQN-UHFFFAOYSA-N" . "InChI=1S/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3" . "CC(OC(=O)C(C)C)OC(=O)NCC1(CCCCC1)CC(=O)O" . "CC(OC(=O)C(C)C)OC(=O)NCC1(CCCCC1)CC(=O)O" . "TZDUHAJSIBHXDL-UHFFFAOYSA-N" . "InChI=1S/C16H27NO6/c1-11(2)14(20)22-12(3)23-15(21)17-10-16(9-13(18)19)7-5-4-6-8-16/h11-12H,4-10H2,1-3H3,(H,17,21)(H,18,19)" . "OCCN1CCN(CC1)CCC=C1c2ccccc2Sc2c1cc(Cl)cc2" . "OCCN1CCN(CC1)CC/C=C/1/c2ccccc2Sc2c1cc(Cl)cc2" . "WFPIAZLQTJBIFN-DVZOWYKESA-N" . "InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2/b18-5-" . "OC(=O)CCCCCCNC1c2ccccc2N(S(=O)(=O)c2c1ccc(c2)Cl)C" . "OC(=O)CCCCCCNC1c2ccccc2N(S(=O)(=O)c2c1ccc(c2)Cl)C" . "JICJBGPOMZQUBB-UHFFFAOYSA-N" . "InChI=1S/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)" . "OCCC1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C" . "OCCC1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C" . "JOMHSQGEWSNUKU-UHFFFAOYSA-N" . "InChI=1S/C24H33N3O3S2/c1-25(2)32(29,30)20-8-9-24-22(18-20)27(21-6-3-4-7-23(21)31-24)14-5-13-26-15-10-19(11-16-26)12-17-28/h3-4,6-9,18-19,28H,5,10-17H2,1-2H3" . "O=C1N(CCCCN2CCN(CC2)c2nsc3c2cccc3)C(=O)C2C1CCCC2" . "O=C1N(CCCCN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1CCCC2" . "FBVFZWUMDDXLLG-HDICACEKSA-N" . "InChI=1S/C23H30N4O2S/c28-22-17-7-1-2-8-18(17)23(29)27(22)12-6-5-11-25-13-15-26(16-14-25)21-19-9-3-4-10-20(19)30-24-21/h3-4,9-10,17-18H,1-2,5-8,11-16H2/t17-,18+" . "O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C" . "O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C" . "QXWZQTURMXZVHJ-UHFFFAOYSA-N" . "InChI=1S/C26H32N4O4S/c1-20(2)30(16-10-11-17-34-19-24(31)29-35(3,32)33)23-18-27-25(21-12-6-4-7-13-21)26(28-23)22-14-8-5-9-15-22/h4-9,12-15,18,20H,10-11,16-17,19H2,1-3H3,(H,29,31)" . "CN(CC(=O)c1ccc(cc1)Cl)CCCN1c2ccccc2CCc2c1cccc2" . "CN(CC(=O)c1ccc(cc1)Cl)CCCN1c2ccccc2CCc2c1cccc2" . "SAPNXPWPAUFAJU-UHFFFAOYSA-N" . "InChI=1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3" . "Fc1cc(cnc1N1CCN(CC1)C(=O)c1cc(ccc1OC(C(F)(F)F)C)S(=O)(=O)C)C(F)(F)F" . "Fc1cc(cnc1N1CCN(CC1)C(=O)c1cc(ccc1O[C@H](C(F)(F)F)C)S(=O)(=O)C)C(F)(F)F" . "YUUGYIUSCYNSQR-LBPRGKRZSA-N" . "InChI=1S/C21H20F7N3O4S/c1-12(20(23,24)25)35-17-4-3-14(36(2,33)34)10-15(17)19(32)31-7-5-30(6-8-31)18-16(22)9-13(11-29-18)21(26,27)28/h3-4,9-12H,5-8H2,1-2H3/t12-/m0/s1" . "N1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2" . "N1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2" . "JLOAJISUHPIQOX-UHFFFAOYSA-N" . "InChI=1S/C17H17N3S/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15/h1-8,18H,9-12H2" . "NCCNc1ccc(c2c1C(=O)c1cnccc1C2=O)NCCN" . "NCCNc1ccc(c2c1C(=O)c1cnccc1C2=O)NCCN" . "PEZPMAYDXJQYRV-UHFFFAOYSA-N" . "InChI=1S/C17H19N5O2/c18-4-7-21-12-1-2-13(22-8-5-19)15-14(12)16(23)10-3-6-20-9-11(10)17(15)24/h1-3,6,9,21-22H,4-5,7-8,18-19H2" . "COc1ccc(cc1)CC(NCC(c1cc(O)cc2c1OCC(=O)N2)O)(C)C" . "COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C" . "COUYJEVMBVSIHV-SFHVURJKSA-N" . "InChI=1S/C21H26N2O5/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)/t18-/m0/s1" . "Oc1ccc2c(c1)CCC(C2c1ccc(cc1)OCCN1CCCC1)c1ccccc1" . "Oc1ccc2c(c1)CC[C@@H]([C@@H]2c1ccc(cc1)OCCN1CCCC1)c1ccccc1" . "GXESHMAMLJKROZ-IAPPQJPRSA-N" . "InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1" . "ONC(=O)c1cnc(nc1)N1CCC(CC1)CNCc1cn(c2c1cccc2)C" . "ONC(=O)c1cnc(nc1)N1CCC(CC1)CNCc1cn(c2c1cccc2)C" . "PAWIYAYFNXQGAP-UHFFFAOYSA-N" . "InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)" . "COCCOCCOCCOCCOCCOCCOCCOC1CCC2(C34C1Oc1c4c(CC2N(CC3)CC=C)ccc1O)O" . "COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC=C)ccc1O)O" . "XNKCCCKFOQNXKV-ZRSCBOBOSA-N" . "InChI=1S/C34H53NO11/c1-3-9-35-10-8-33-30-26-4-5-27(36)31(30)46-32(33)28(6-7-34(33,37)29(35)25-26)45-24-23-44-22-21-43-20-19-42-18-17-41-16-15-40-14-13-39-12-11-38-2/h3-5,28-29,32,36-37H,1,6-25H2,2H3/t28-,29+,32-,33-,34+/m0/s1" . "O=C(c1cccnc1Sc1ccccc1)NCC1(CCOCC1)N1CCN(CC1)c1ccccc1" . "O=C(c1cccnc1Sc1ccccc1)NCC1(CCOCC1)N1CCN(CC1)c1ccccc1" . "XREFXUCWSYMIOG-UHFFFAOYSA-N" . "InChI=1S/C28H32N4O2S/c33-26(25-12-7-15-29-27(25)35-24-10-5-2-6-11-24)30-22-28(13-20-34-21-14-28)32-18-16-31(17-19-32)23-8-3-1-4-9-23/h1-12,15H,13-14,16-22H2,(H,30,33)" . "CNCCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2" . "CNCCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2" . "OVVBIIBBRZVPAL-UHFFFAOYSA-N" . "InChI=1S/C17H16ClNOS/c1-19-8-9-20-15-10-12-4-2-3-5-16(12)21-17-7-6-13(18)11-14(15)17/h2-7,10-11,19H,8-9H2,1H3" . "CCCCCCCC(=O)NC(C(c1ccc2c(c1)OCCO2)O)CN1CCCC1" . "CCCCCCCC(=O)N[C@@H]([C@@H](c1ccc2c(c1)OCCO2)O)CN1CCCC1" . "FJZZPCZKBUKGGU-AUSIDOKSSA-N" . "InChI=1S/C23H36N2O4/c1-2-3-4-5-6-9-22(26)24-19(17-25-12-7-8-13-25)23(27)18-10-11-20-21(16-18)29-15-14-28-20/h10-11,16,19,23,27H,2-9,12-15,17H2,1H3,(H,24,26)/t19-,23-/m1/s1" . "O=C(NC(Cc1ccccc1)CCC(Cc1ccccc1)NC(=O)C(NC(=O)N(Cc1csc(n1)C(C)C)C)CCN1CCOCC1)OCc1cncs1" . "O=C(N[C@@H](Cc1ccccc1)CC[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(Cc1csc(n1)C(C)C)C)CCN1CCOCC1)OCc1cncs1" . "ZCIGNRJZKPOIKD-CQXVEOKZSA-N" . "InChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36+/m1/s1" . "OC(=O)C(NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C2)C(=O)c1ccc2c(c1)occ2)Cc1cccc(c1)S(=O)(=O)C" . "OC(=O)[C@@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C2)C(=O)c1ccc2c(c1)occ2)Cc1cccc(c1)S(=O)(=O)C" . "JFOZKMSJYSPYLN-QHCPKHFHSA-N" . "InChI=1S/C29H24Cl2N2O7S/c1-41(38,39)20-4-2-3-16(11-20)12-23(29(36)37)32-27(34)25-22(30)13-19-15-33(9-7-21(19)26(25)31)28(35)18-6-5-17-8-10-40-24(17)14-18/h2-6,8,10-11,13-14,23H,7,9,12,15H2,1H3,(H,32,34)(H,36,37)/t23-/m0/s1" . "Cc1ccc(=O)n(c1)c1ccccc1" . "Cc1ccc(=O)n(c1)c1ccccc1" . "ISWRGOKTTBVCFA-UHFFFAOYSA-N" . "InChI=1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3" . "COc1ccc2c(c1)c(CCNC(=O)CC(=O)CCc1ccc(cc1)O)c[nH]2" . "COc1ccc2c(c1)c(CCNC(=O)CC(=O)CCc1ccc(cc1)O)c[nH]2" . "BPMOENJVOOOATO-UHFFFAOYSA-N" . "InChI=1S/C22H24N2O4/c1-28-19-8-9-21-20(13-19)16(14-24-21)10-11-23-22(27)12-18(26)7-4-15-2-5-17(25)6-3-15/h2-3,5-6,8-9,13-14,24-25H,4,7,10-12H2,1H3,(H,23,27)" . "Oc1ccccc1NCc1ccccn1" . "Oc1ccccc1NCc1ccccn1" . "GXJRVWZNMZGWAQ-UHFFFAOYSA-N" . "InChI=1S/C12H12N2O/c15-12-7-2-1-6-11(12)14-9-10-5-3-4-8-13-10/h1-8,14-15H,9H2" . "COc1ccc(cc1Cl)CCc1nc2c(n1CC(N1CCOCC1)C)ccc(c2)c1c(C)noc1C" . "COc1ccc(cc1Cl)CCc1nc2c(n1C[C@@H](N1CCOCC1)C)ccc(c2)c1c(C)noc1C" . "GEPYBHCJBORHCE-SFHVURJKSA-N" . "InChI=1S/C28H33ClN4O3/c1-18(32-11-13-35-14-12-32)17-33-25-8-7-22(28-19(2)31-36-20(28)3)16-24(25)30-27(33)10-6-21-5-9-26(34-4)23(29)15-21/h5,7-9,15-16,18H,6,10-14,17H2,1-4H3/t18-/m0/s1" . "Cc1onc(c1c1ccc2c(c1)C(O)(CC2)c1ccccc1)C" . "Cc1onc(c1c1ccc2c(c1)C(O)(CC2)c1ccccc1)C" . "SEOJJNHYXOQNOZ-UHFFFAOYSA-N" . "InChI=1S/C20H19NO2/c1-13-19(14(2)23-21-13)16-9-8-15-10-11-20(22,18(15)12-16)17-6-4-3-5-7-17/h3-9,12,22H,10-11H2,1-2H3" . "NC(=O)CC1N=C(c2ccc(cc2)Cl)c2c(c3c1onc3C)sc(c2C)C" . "NC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(c3c1onc3C)sc(c2C)C" . "DRSQZZRFHBWKKZ-AWEZNQCLSA-N" . "InChI=1S/C20H18ClN3O2S/c1-9-11(3)27-20-16(9)18(12-4-6-13(21)7-5-12)23-14(8-15(22)25)19-17(20)10(2)24-26-19/h4-7,14H,8H2,1-3H3,(H2,22,25)/t14-/m0/s1" . "COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1C(CC2)NC(=O)C)O" . "COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)O" . "PRGILOMAMBLWNG-HNNXBMFYSA-N" . "InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13-6-8-16(24)17(25)10-14(13)15/h6,8-10,15H,5,7H2,1-4H3,(H,22,23)(H,24,25)/t15-/m0/s1" . "CCN(S(=O)(=O)c1ccc(c(c1)NC(=O)c1[nH]c(c(c1CC)C(=O)C)C)O)CC" . "CCN(S(=O)(=O)c1ccc(c(c1)NC(=O)c1[nH]c(c(c1CC)C(=O)C)C)O)CC" . "DPBKLIVPNYGQQG-UHFFFAOYSA-N" . "InChI=1S/C20H27N3O5S/c1-6-15-18(13(5)24)12(4)21-19(15)20(26)22-16-11-14(9-10-17(16)25)29(27,28)23(7-2)8-3/h9-11,21,25H,6-8H2,1-5H3,(H,22,26)" . "COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C(=O)N2)C" . "COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C(=O)N2)C" . "TXZPMHLMPKIUGK-UHFFFAOYSA-N" . "InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20)" . "COc1nc2c(cc1c1c(C)noc1C)ncc1c2C(Cc2ccccc2)C(=O)N1" . "COc1nc2c(cc1c1c(C)noc1C)ncc1c2C(Cc2ccccc2)C(=O)N1" . "ZULXIHDLPPWDPC-UHFFFAOYSA-N" . "InChI=1S/C23H20N4O3/c1-12-19(13(2)30-27-12)16-10-17-21(26-23(16)29-3)20-15(9-14-7-5-4-6-8-14)22(28)25-18(20)11-24-17/h4-8,10-11,15H,9H2,1-3H3,(H,25,28)" . "COc1nc2c(cc1c1c(C)noc1C)ncc1c2C(C(=O)N1)c1ccccc1OC(F)(F)F" . "COc1nc2c(cc1c1c(C)noc1C)ncc1c2C(C(=O)N1)c1ccccc1OC(F)(F)F" . "WWSIFGSLYORAET-UHFFFAOYSA-N" . "InChI=1S/C23H17F3N4O4/c1-10-17(11(2)34-30-10)13-8-14-20(29-22(13)32-3)19-15(9-27-14)28-21(31)18(19)12-6-4-5-7-16(12)33-23(24,25)26/h4-9,18H,1-3H3,(H,28,31)" . "NC(=N)SCc1ccc(s1)CSC(=N)N" . "NC(=N)SCc1ccc(s1)CSC(=N)N" . "XGDUNTSTRCLVLN-UHFFFAOYSA-N" . "InChI=1S/C8H12N4S3/c9-7(10)13-3-5-1-2-6(15-5)4-14-8(11)12/h1-2H,3-4H2,(H3,9,10)(H3,11,12)" . "O=C(N1CCN(CC1)C(=O)c1cc(ccc1F)Cc1n[nH]c(=O)c2c1cccc2)C1CC1" . "O=C(N1CCN(CC1)C(=O)c1cc(ccc1F)Cc1n[nH]c(=O)c2c1cccc2)C1CC1" . "FDLYAMZZIXQODN-UHFFFAOYSA-N" . "InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)" . "COc1cc2c(cc1c1c(C)noc1C)ncc1c2n(c(=O)[nH]1)C(c1ccccn1)C" . "COc1cc2c(cc1c1c(C)noc1C)ncc1c2n(c(=O)[nH]1)[C@@H](c1ccccn1)C" . "VUVUVNZRUGEAHB-CYBMUJFWSA-N" . "InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1" . "CC(=O)Oc1cc(cc(c1)c1c(C)noc1C)C(c1ccccc1)O" . "CC(=O)Oc1cc(cc(c1)c1c(C)noc1C)C(c1ccccc1)O" . "BLNKHZBHJDYSGF-UHFFFAOYSA-N" . "InChI=1S/C20H19NO4/c1-12-19(13(2)25-21-12)16-9-17(11-18(10-16)24-14(3)22)20(23)15-7-5-4-6-8-15/h4-11,20,23H,1-3H3" . "CCOc1cc(cc(c1)c1c(C)noc1C)C(O)C" . "CCOc1cc(cc(c1)c1c(C)noc1C)C(O)C" . "AONNGYBECNOVTK-UHFFFAOYSA-N" . "InChI=1S/C15H19NO3/c1-5-18-14-7-12(10(3)17)6-13(8-14)15-9(2)16-19-11(15)4/h6-8,10,17H,5H2,1-4H3" . "Clc1ccc2c(c1)c(nn(c1n2c(C)nn1)C)c1ccccc1" . "Clc1ccc2c(c1)c(nn(c1n2c(C)nn1)C)c1ccccc1" . "UYIVCPRWMLOCSB-UHFFFAOYSA-N" . "InChI=1S/C17H14ClN5/c1-11-19-20-17-22(2)21-16(12-6-4-3-5-7-12)14-10-13(18)8-9-15(14)23(11)17/h3-10H,1-2H3" . "O=C(NC1N=C(c2ccccc2)c2c(n3c1nnc3C)cccc2)OCc1ccccc1" . "O=C(NC1N=C(c2ccccc2)c2c(n3c1nnc3C)cccc2)OCc1ccccc1" . "TUWDLUFFAHHNEF-UHFFFAOYSA-N" . "InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)" . "OC(COc1cc(C)c(c(c1C)C)OC(=O)C)CNC(C)C" . "OC(COc1cc(C)c(c(c1C)C)OC(=O)C)CNC(C)C" . "BQIPXWYNLPYNHW-UHFFFAOYSA-N" . "InChI=1S/C17H27NO4/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4/h7,10,15,18,20H,8-9H2,1-6H3" . "NC(=O)CC1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C" . "NC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C" . "QECMENZMDBOLDR-AWEZNQCLSA-N" . "InChI=1S/C19H18ClN5OS/c1-9-10(2)27-19-16(9)17(12-4-6-13(20)7-5-12)22-14(8-15(21)26)18-24-23-11(3)25(18)19/h4-7,14H,8H2,1-3H3,(H2,21,26)/t14-/m0/s1" . "COC(=O)CC1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C" . "COC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C" . "GGRCIHACOIMRKY-HNNXBMFYSA-N" . "InChI=1S/C20H19ClN4O2S/c1-10-11(2)28-20-17(10)18(13-5-7-14(21)8-6-13)22-15(9-16(26)27-4)19-24-23-12(3)25(19)20/h5-8,15H,9H2,1-4H3/t15-/m0/s1" . "O=C(OC(C)(C)C)CC1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C" . "O=C(OC(C)(C)C)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C" . "DNVXATUJJDPFDM-KRWDZBQOSA-N" . "InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1" . "Cn1c(=S)n(c2c1cccc2)CCSc1nc2c([nH]1)cccc2" . "Cn1c(=S)n(c2c1cccc2)CCSc1nc2c([nH]1)cccc2" . "KDPSGIFCBZTBEZ-UHFFFAOYSA-N" . "InChI=1S/C17H16N4S2/c1-20-14-8-4-5-9-15(14)21(17(20)22)10-11-23-16-18-12-6-2-3-7-13(12)19-16/h2-9H,10-11H2,1H3,(H,18,19)" . "Nc1cc(O)c(cc1N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1)C" . "Nc1cc(O)c(cc1/N=N/c1ccc(cc1)S(=O)(=O)Nc1ccccn1)C" . "DZTGIRNXWSZBIM-QURGRASLSA-N" . "InChI=1S/C18H17N5O3S/c1-12-10-16(15(19)11-17(12)24)22-21-13-5-7-14(8-6-13)27(25,26)23-18-4-2-3-9-20-18/h2-11,24H,19H2,1H3,(H,20,23)/b22-21+" . "O=C1CCCc2c1n(C(=O)C)c1c2cccc1" . "O=C1CCCc2c1n(C(=O)C)c1c2cccc1" . "MIGJEXKBUJPKJF-UHFFFAOYSA-N" . "InChI=1S/C14H13NO2/c1-9(16)15-12-7-3-2-5-10(12)11-6-4-8-13(17)14(11)15/h2-3,5,7H,4,6,8H2,1H3" . "[NH3+]CCCNc1ccccc1[N+](=O)[O-]" . "[NH3+]CCCNc1ccccc1[N+](=O)[O-]" . "GVGDDEYVTBKACE-UHFFFAOYSA-O" . "InChI=1S/C9H13N3O2/c10-6-3-7-11-8-4-1-2-5-9(8)12(13)14/h1-2,4-5,11H,3,6-7,10H2/p+1" . "NC1=CC(=O)C(=CC1=NNc1cc(c(cc1C)C)S(=O)(=O)O)C" . "NC1=CC(=O)C(=C/C/1=N/Nc1cc(c(cc1C)C)S(=O)(=O)O)C" . "WGEVKJVUKOELFY-QGOAFFKASA-N" . "InChI=1S/C15H17N3O4S/c1-8-4-10(3)15(23(20,21)22)7-12(8)17-18-13-5-9(2)14(19)6-11(13)16/h4-7,17H,16H2,1-3H3,(H,20,21,22)/b18-13+" . "ONC(=O)CCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3" . "ONC(=O)CCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3" . "JTDYUFSDZATMKU-UHFFFAOYSA-N" . "InChI=1S/C18H18N2O4/c21-15(19-24)10-2-1-3-11-20-17(22)13-8-4-6-12-7-5-9-14(16(12)13)18(20)23/h4-9,24H,1-3,10-11H2,(H,19,21)" . "CCCCN(C(=O)Nc1ccccc1)Cc1ccc(cc1)C(=O)NO" . "CCCCN(C(=O)Nc1ccccc1)Cc1ccc(cc1)C(=O)NO" . "JZWXMCPARMXZQV-UHFFFAOYSA-N" . "InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)" . "ONC(=O)C=Cc1ccn(c1)S(=O)(=O)c1ccc(cc1)CN(C)C" . "ONC(=O)/C=C/c1ccn(c1)S(=O)(=O)c1ccc(cc1)CN(C)C" . "FECGNJPYVFEKOD-VMPITWQZSA-N" . "InChI=1S/C16H19N3O4S/c1-18(2)11-13-3-6-15(7-4-13)24(22,23)19-10-9-14(12-19)5-8-16(20)17-21/h3-10,12,21H,11H2,1-2H3,(H,17,20)/b8-5+" . "O=C(Nc1ccccc1N)CCCCCNC(=O)c1ccc(cc1)C" . "O=C(Nc1ccccc1N)CCCCCNC(=O)c1ccc(cc1)C" . "VOPDXHFYDJAYNS-UHFFFAOYSA-N" . "InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)" . "O=C(Nc1ccc(cc1N)F)C=Cc1cnn(c1)CC=Cc1ccccc1" . "O=C(Nc1ccc(cc1N)F)/C=C/c1cnn(c1)C/C=C/c1ccccc1" . "BLVQHYHDYFTPDV-VCABWLAWSA-N" . "InChI=1S/C21H19FN4O/c22-18-9-10-20(19(23)13-18)25-21(27)11-8-17-14-24-26(15-17)12-4-7-16-5-2-1-3-6-16/h1-11,13-15H,12,23H2,(H,25,27)/b7-4+,11-8+" . "CCCCOc1ccc(cc1)CC(=O)NO" . "CCCCOc1ccc(cc1)CC(=O)NO" . "MXJWRABVEGLYDG-UHFFFAOYSA-N" . "InChI=1S/C12H17NO3/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14)" . "OCCN(Cc1ccc(cc1)C=CC(=O)NO)CCc1c[nH]c2c1cccc2" . "OCCN(Cc1ccc(cc1)/C=C/C(=O)NO)CCc1c[nH]c2c1cccc2" . "BWDQBBCUWLSASG-MDZDMXLPSA-N" . "InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+" . "ONC(=O)C=Cc1cccc(c1)S(=O)(=O)Nc1ccccc1" . "ONC(=O)/C=C/c1cccc(c1)S(=O)(=O)Nc1ccccc1" . "NCNRHFGMJRPRSK-MDZDMXLPSA-N" . "InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+" . "CCC(=O)CCCCCC1NC(=O)C2CCCCN2C(=O)C(NC(=O)C(NC1=O)Cc1cn(c2c1cccc2)OC)C(CC)C" . "CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1cn(c2c1cccc2)OC)[C@H](CC)C" . "JWOGUUIOCYMBPV-GMFLJSBRSA-N" . "InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1" . "OC(=O)C1(CC1)c1ccc(c(c1)F)c1ccc(c(c1)Cl)Cl" . "OC(=O)C1(CC1)c1ccc(c(c1)F)c1ccc(c(c1)Cl)Cl" . "LIYLTQQDABRNRX-UHFFFAOYSA-N" . "InChI=1S/C16H11Cl2FO2/c17-12-4-1-9(7-13(12)18)11-3-2-10(8-14(11)19)16(5-6-16)15(20)21/h1-4,7-8H,5-6H2,(H,20,21)" . "CC1SC2CC(CCC2N(C1)C(=O)C)S(=O)(=O)NCc1ccccc1" . "CC1SC2CC(CCC2N(C1)C(=O)C)S(=O)(=O)NCc1ccccc1" . "XWNJYOGTDUJRND-UHFFFAOYSA-N" . "InChI=1S/C18H26N2O3S2/c1-13-12-20(14(2)21)17-9-8-16(10-18(17)24-13)25(22,23)19-11-15-6-4-3-5-7-15/h3-7,13,16-19H,8-12H2,1-2H3" . "O=C(c1cccc2c1nc([nH]2)c1ccccc1OCCN1CCOCC1)Nc1nccs1" . "O=C(c1cccc2c1nc([nH]2)c1ccccc1OCCN1CCOCC1)Nc1nccs1" . "BXSJTHFUADFIKS-UHFFFAOYSA-N" . "InChI=1S/C23H23N5O3S/c29-22(27-23-24-8-15-32-23)17-5-3-6-18-20(17)26-21(25-18)16-4-1-2-7-19(16)31-14-11-28-9-12-30-13-10-28/h1-8,15H,9-14H2,(H,25,26)(H,24,27,29)" . "ONC(=O)C=Cc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(cc1)OC" . "ONC(=O)/C=C/c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(cc1)OC" . "LMFNVOGHSBJWLX-YCRREMRBSA-N" . "InChI=1S/C18H18N2O5S/c1-25-15-4-6-16(7-5-15)26(23,24)20-11-10-14-12-13(2-8-17(14)20)3-9-18(21)19-22/h2-9,12,22H,10-11H2,1H3,(H,19,21)/b9-3+" . "N#CC(c1ccc(cc1)O)Cc1ccc(cc1)O" . "N#CC(c1ccc(cc1)O)Cc1ccc(cc1)O" . "GHZHWDWADLAOIQ-UHFFFAOYSA-N" . "InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2" . "O=C(c1cccc(c1)c1noc(n1)C(F)(F)F)NCC1(CCOCC1)c1scc(n1)c1ccccc1" . "O=C(c1cccc(c1)c1noc(n1)C(F)(F)F)NCC1(CCOCC1)c1scc(n1)c1ccccc1" . "HORXBWNTEDOVKN-UHFFFAOYSA-N" . "InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)" . "CCN(Cc1ccc2c(c1)ccc(c2)COC(=O)Nc1ccc(cc1)C(=O)NO)CC" . "CCN(Cc1ccc2c(c1)ccc(c2)COC(=O)Nc1ccc(cc1)C(=O)NO)CC" . "YALNUENQHAQXEA-UHFFFAOYSA-N" . "InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)" . "ONC(=O)C=Cc1ccc(cc1)CNCCc1c(C)[nH]c2c1cccc2" . "ONC(=O)/C=C/c1ccc(cc1)CNCCc1c(C)[nH]c2c1cccc2" . "FPOHNWQLNRZRFC-ZHACJKMWSA-N" . "InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+" . "CCCCCCCc1ccc(cc1)CCc1cccc(c1C(=O)O)O" . "CCCCCCCc1ccc(cc1)CCc1cccc(c1C(=O)O)O" . "WBHQYBZRTAEHRR-UHFFFAOYSA-N" . "InChI=1S/C22H28O3/c1-2-3-4-5-6-8-17-11-13-18(14-12-17)15-16-19-9-7-10-20(23)21(19)22(24)25/h7,9-14,23H,2-6,8,15-16H2,1H3,(H,24,25)" . "O=C1N(CC2c3c1cccc3CCC2)C1CN2CCC1CC2" . "O=C1N(C[C@@H]2c3c1cccc3CCC2)[C@@H]1CN2CCC1CC2" . "CPZBLNMUGSZIPR-NVXWUHKLSA-N" . "InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1" . "OC(=O)CCCCCCCC(=O)O" . "OC(=O)CCCCCCCC(=O)O" . "BDJRBEYXGGNYIS-UHFFFAOYSA-N" . "InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)" . "O=C(N1CCc2c(C1c1ccccc1)cccc2)OC1CN2CCC1CC2" . "O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2" . "FBOUYBDGKBSUES-VXKWHMMOSA-N" . "InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1" . "O=C(C1(CC1)c1ccc2c(c1)OC(O2)(F)F)Nc1ccc(c(n1)c1cccc(c1)C(=O)O)C" . "O=C(C1(CC1)c1ccc2c(c1)OC(O2)(F)F)Nc1ccc(c(n1)c1cccc(c1)C(=O)O)C" . "UFSKUSARDNFIRC-UHFFFAOYSA-N" . "InChI=1S/C24H18F2N2O5/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31)" . "O=C(C(c1ccccc1)(c1ccccc1)O)OC1CC2CCC(C1)[N+]12CCCC1" . "O=C(C(c1ccccc1)(c1ccccc1)O)OC1CC2CCC(C1)[N+]12CCCC1" . "OYYDSUSKLWTMMQ-UHFFFAOYSA-N" . "InChI=1S/C25H30NO3/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26/h1-6,9-12,21-23,28H,7-8,13-18H2/q+1" . "O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O" . "O=CNc1cc(ccc1O)[C@H](CN[C@@H](Cc1ccc(cc1)OC)C)O" . "BPZSYCZIITTYBL-YJYMSZOUSA-N" . "InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1" . "ClCCN(c1ccc2c(c1)nc(n2C)CCCC(=O)O)CCCl" . "ClCCN(c1ccc2c(c1)nc(n2C)CCCC(=O)O)CCCl" . "YTKUWDBFDASYHO-UHFFFAOYSA-N" . "InChI=1S/C16H21Cl2N3O2/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23/h5-6,11H,2-4,7-10H2,1H3,(H,22,23)" . "CCC(c1cccc(c1)O)C(CN(C)C)C" . "CC[C@@H](c1cccc(c1)O)[C@H](CN(C)C)C" . "KWTWDQCKEHXFFR-SMDDNHRTSA-N" . "InChI=1S/C14H23NO/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12/h6-9,11,14,16H,5,10H2,1-4H3/t11-,14+/m0/s1" . "N#Cc1n(C)nc2c1c1cnc(c(c1)OC(C)c1c(C(=O)N(C2)C)ccc(c1)F)N" . "N#Cc1n(C)nc2c1c1cnc(c(c1)O[C@H](C)c1c(C(=O)N(C2)C)ccc(c1)F)N" . "IIXWYSCJSQVBQM-LLVKDONJSA-N" . "InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1" . "CC(c1cccc(c1OCOP(=O)(O)O)C(C)C)C" . "CC(c1cccc(c1OCOP(=O)(O)O)C(C)C)C" . "QVNNONOFASOXQV-UHFFFAOYSA-N" . "InChI=1S/C13H21O5P/c1-9(2)11-6-5-7-12(10(3)4)13(11)17-8-18-19(14,15)16/h5-7,9-10H,8H2,1-4H3,(H2,14,15,16)" . "CCCC(=O)OC1(CCC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F)C(=O)COC(=O)C" . "CCCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)F)F)C(=O)COC(=O)C" . "WYQPLTPSGFELIB-JTQPXKBDSA-N" . "InChI=1S/C27H34F2O7/c1-5-6-23(34)36-26(22(33)14-35-15(2)30)10-8-17-18-12-20(28)19-11-16(31)7-9-24(19,3)27(18,29)21(32)13-25(17,26)4/h7,9,11,17-18,20-21,32H,5-6,8,10,12-14H2,1-4H3/t17-,18-,20-,21-,24-,25-,26-,27-/m0/s1" . "OCc1ccc(c(c1)C(c1ccccc1)CCN(C(C)C)C(C)C)OC(=O)C(C)C" . "OCc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)OC(=O)C(C)C" . "DCCSDBARQIPTGU-HSZRJFAPSA-N" . "InChI=1S/C26H37NO3/c1-18(2)26(29)30-25-13-12-21(17-28)16-24(25)23(22-10-8-7-9-11-22)14-15-27(19(3)4)20(5)6/h7-13,16,18-20,23,28H,14-15,17H2,1-6H3/t23-/m1/s1" . "COCC(C(=O)NCc1ccccc1)NC(=O)C" . "COC[C@H](C(=O)NCc1ccccc1)NC(=O)C" . "VPPJLAIAVCUEMN-GFCCVEGCSA-N" . "InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1" . "OC(=O)CNC(=O)C(Cc1ccccc1)CN1CCC(C(C1)C)(C)c1cccc(c1)O" . "OC(=O)CNC(=O)[C@@H](Cc1ccccc1)CN1CC[C@@]([C@H](C1)C)(C)c1cccc(c1)O" . "UPNUIXSCZBYVBB-JVFUWBCBSA-N" . "InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20-,25+/m0/s1" . "Fc1cccc(c1Cn1nnc(c1)C(=O)N)F" . "Fc1cccc(c1Cn1nnc(c1)C(=O)N)F" . "POGQSBRIGCQNEG-UHFFFAOYSA-N" . "InChI=1S/C10H8F2N4O/c11-7-2-1-3-8(12)6(7)4-16-5-9(10(13)17)14-15-16/h1-3,5H,4H2,(H2,13,17)" . "O=C(C(C)C)OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2C1CCC1=CC(=O)C=CC21C)C1CCCCC1" . "O=C(C(C)C)OCC(=O)[C@@]12O[C@@H](O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@H]2[C@H]1CCC1=CC(=O)C=C[C@]21C)C1CCCCC1" . "LUKZNWIVRBCLON-GXOBDPJESA-N" . "InChI=1S/C32H44O7/c1-18(2)28(36)37-17-25(35)32-26(38-29(39-32)19-8-6-5-7-9-19)15-23-22-11-10-20-14-21(33)12-13-30(20,3)27(22)24(34)16-31(23,32)4/h12-14,18-19,22-24,26-27,29,34H,5-11,15-17H2,1-4H3/t22-,23-,24-,26+,27+,29+,30-,31-,32+/m0/s1" . "CCCC(=O)OCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1Cl)Cl)C(=O)OC)C" . "CCCC(=O)OCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1Cl)Cl)C(=O)OC)C" . "KPBZROQVTHLCDU-UHFFFAOYSA-N" . "InChI=1S/C21H23Cl2NO6/c1-5-7-15(25)29-10-30-21(27)17-12(3)24-11(2)16(20(26)28-4)18(17)13-8-6-9-14(22)19(13)23/h6,8-9,18,24H,5,7,10H2,1-4H3" . "OC(=O)CCCN1CCC(CC1)OC(c1ccccn1)c1ccc(cc1)Cl" . "OC(=O)CCCN1CCC(CC1)O[C@H](c1ccccn1)c1ccc(cc1)Cl" . "YWGDOWXRIALTES-NRFANRHFSA-N" . "InChI=1S/C21H25ClN2O3/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26)/t21-/m0/s1" . "CCCCc1oc2c(c1C(=O)c1ccc(cc1)OCCCN(CCCC)CCCC)cc(cc2)NS(=O)(=O)C" . "CCCCc1oc2c(c1C(=O)c1ccc(cc1)OCCCN(CCCC)CCCC)cc(cc2)NS(=O)(=O)C" . "ZQTNQVWKHCQYLQ-UHFFFAOYSA-N" . "InChI=1S/C31H44N2O5S/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3/h13-18,23,32H,5-12,19-22H2,1-4H3" . "O=C1N(CC2CCCCC2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)C2C1C1CCC2C1" . "O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1" . "PQXKDMSYBGKCJA-CVTJIBDQSA-N" . "InChI=1S/C28H36N4O2S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/t18-,19+,20-,21-,24+,25-/m0/s1" . "CC(=O)OC1(CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21)C(=O)C" . 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"O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O" . "PBAPPPCECJKMCM-IBGZPJMESA-N" . "InChI=1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27)/t19-/m0/s1" . "Nc1nccn2c1c(nc2C1CC(C1)(C)O)c1ccc2c(c1)nc(cc2)c1ccccc1" . "Nc1nccn2c1c(nc2[C@@H]1C[C@](C1)(C)O)c1ccc2c(c1)nc(cc2)c1ccccc1" . "PKCDDUHJAFVJJB-VLZXCDOPSA-N" . "InChI=1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)/t19-,26+" . "CC=C(C(=O)OC1C(=CC23C1(O)C(O)C(=CC(C3=O)C1C(CC2C)C1(C)C)CO)C)C" . "C/C=C(/C(=O)O[C@H]1C(=C[C@]23[C@]1(O)[C@H](O)C(=C[C@H](C3=O)[C@H]1[C@@H](C[C@H]2C)C1(C)C)CO)C)/C" . "VDJHFHXMUKFKET-WDUFCVPESA-N" . "InChI=1S/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16+,17-,18+,19-,21+,24+,25+/m1/s1" . "COC1CCC(CC1)C(=O)c1ccc2c(c1)cc(c(n2)C)CC" . "CO[C@@H]1CC[C@@H](CC1)C(=O)c1ccc2c(c1)cc(c(n2)C)CC" . "VEURHZYLLRSEGL-RHNCMZPLSA-N" . "InChI=1S/C20H25NO2/c1-4-14-11-17-12-16(7-10-19(17)21-13(14)2)20(22)15-5-8-18(23-3)9-6-15/h7,10-12,15,18H,4-6,8-9H2,1-3H3/t15-,18+" . "CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC" . "CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OCC" . "SSQPWTVBQMWLSZ-AAQCHOMXSA-N" . "InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-21H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-" . "NCCS" . "NCCS" . "UFULAYFCSOUIOV-UHFFFAOYSA-N" . "InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2" . "O=C(c1ccccc1c1ccc(cc1)C(F)(F)F)NC1CCN(CC1)CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2c2c1cccc2" . "O=C(c1ccccc1c1ccc(cc1)C(F)(F)F)NC1CCN(CC1)CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2c2c1cccc2" . "MBBCVAKAJPKAKM-UHFFFAOYSA-N" . 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"VOVIALXJUBGFJZ-KWVAZRHASA-N" . "InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1" . "CCC(C(=O)N1CC(CC1Cc1c([nH]c2c1ccc(c2)F)c1[nH]c2c(c1CC1CC(CN1C(=O)C(NC(=O)C(NC)C)CC)O)ccc(c2)F)O)NC(=O)C(NC)C" . "CC[C@@H](C(=O)N1C[C@H](C[C@H]1Cc1c([nH]c2c1ccc(c2)F)c1[nH]c2c(c1C[C@@H]1C[C@@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC)C)CC)O)ccc(c2)F)O)NC(=O)[C@@H](NC)C" . "PKWRMUKBEYJEIX-DXXQBUJASA-N" . "InChI=1S/C42H56F2N8O6/c1-7-33(49-39(55)21(3)45-5)41(57)51-19-27(53)15-25(51)17-31-29-11-9-23(43)13-35(29)47-37(31)38-32(30-12-10-24(44)14-36(30)48-38)18-26-16-28(54)20-52(26)42(58)34(8-2)50-40(56)22(4)46-6/h9-14,21-22,25-28,33-34,45-48,53-54H,7-8,15-20H2,1-6H3,(H,49,55)(H,50,56)/t21-,22-,25-,26-,27-,28-,33-,34-/m0/s1" . "CN1CCN(CC1)C(=O)OC1c2nccnc2C(=O)N1c1ccc(cn1)Cl" . "CN1CCN(CC1)C(=O)OC1c2nccnc2C(=O)N1c1ccc(cn1)Cl" . "GBBSUAFBMRNDJC-UHFFFAOYSA-N" . "InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3" . "CCC(C(c1ccc(cc1)O)CC)c1ccc(cc1)O" . "CCC(C(c1ccc(cc1)O)CC)c1ccc(cc1)O" . "PBBGSZCBWVPOOL-UHFFFAOYSA-N" . "InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3" . "O=C(c1ccc(cc1)Cl)NCCN1CCOCC1" . "O=C(c1ccc(cc1)Cl)NCCN1CCOCC1" . "YHXISWVBGDMDLQ-UHFFFAOYSA-N" . "InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)" . "N#Cc1ccc2c(c1)c(CCCCN1CCN(CC1)c1ccc3c(c1)cc(o3)C(=O)N)c[nH]2" . "N#Cc1ccc2c(c1)c(CCCCN1CCN(CC1)c1ccc3c(c1)cc(o3)C(=O)N)c[nH]2" . "SGEGOXDYSFKCPT-UHFFFAOYSA-N" . "InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)" . "COc1cc2nccc(c2cc1C(=O)N)Oc1ccc(c(c1)Cl)NC(=O)NC1CC1" . "COc1cc2nccc(c2cc1C(=O)N)Oc1ccc(c(c1)Cl)NC(=O)NC1CC1" . "WOSKHXYHFSIKNG-UHFFFAOYSA-N" . "InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)" . "CCCCCCCCCCCCCCCCCCOP(=O)(OC1CC[N+](CC1)(C)C)[O-]" . "CCCCCCCCCCCCCCCCCCOP(=O)(OC1CC[N+](CC1)(C)C)[O-]" . "SZFPYBIJACMNJV-UHFFFAOYSA-N" . "InChI=1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-31(27,28)30-25-20-22-26(2,3)23-21-25/h25H,4-24H2,1-3H3" . "COc1ccc2c(c1C(F)(F)F)cccc2C(=S)N(CC(=O)O)C" . "COc1ccc2c(c1C(F)(F)F)cccc2C(=S)N(CC(=O)O)C" . "LUBHDINQXIHVLS-UHFFFAOYSA-N" . "InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)" . "COc1cc2ncnc(c2cc1NC(=O)C=CCN1CCCCC1)Nc1ccc(c(c1)Cl)F" . "COc1cc2ncnc(c2cc1NC(=O)/C=C/CN1CCCCC1)Nc1ccc(c(c1)Cl)F" . "LVXJQMNHJWSHET-AATRIKPKSA-N" . "InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+" . "CC(CC(C(=O)NC(C(=O)NC(C(=O)C1(C)CO1)CC(C)C)Cc1ccccc1)NC(=O)C(NC(=O)CN1CCOCC1)CCc1ccccc1)C" . "CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@]1(C)CO1)CC(C)C)Cc1ccccc1)NC(=O)[C@@H](NC(=O)CN1CCOCC1)CCc1ccccc1)C" . "BLMPQMFVWMYDKT-NZTKNTHTSA-N" . "InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1" . "OC(=O)Cc1nn(Cc2nc3c(s2)ccc(c3)C(F)(F)F)c(=O)c2c1cccc2" . "OC(=O)Cc1nn(Cc2nc3c(s2)ccc(c3)C(F)(F)F)c(=O)c2c1cccc2" . "BCSVCWVQNOXFGL-UHFFFAOYSA-N" . "InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)" . "Brc1ccc(c(c1)F)Cn1c(=O)c2ccc(cc2n(c1=O)CC(=O)O)Cl" . "Brc1ccc(c(c1)F)Cn1c(=O)c2ccc(cc2n(c1=O)CC(=O)O)Cl" . "SXONDGSPUVNZLO-UHFFFAOYSA-N" . "InChI=1S/C17H11BrClFN2O4/c18-10-2-1-9(13(20)5-10)7-22-16(25)12-4-3-11(19)6-14(12)21(17(22)26)8-15(23)24/h1-6H,7-8H2,(H,23,24)" . "NC(=O)c1cccc2c1nc([nH]2)C1(C)CCCN1" . "NC(=O)c1cccc2c1nc([nH]2)[C@@]1(C)CCCN1" . "JNAHVYVRKWKWKQ-CYBMUJFWSA-N" . "InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1" . "N#Cc1ccc(n1C)c1ccc2c(c1)C(C)(C)OC(=S)N2" . "N#Cc1ccc(n1C)c1ccc2c(c1)C(C)(C)OC(=S)N2" . "PYVFWTPEBMRKSR-UHFFFAOYSA-N" . "InChI=1S/C16H15N3OS/c1-16(2)12-8-10(4-6-13(12)18-15(21)20-16)14-7-5-11(9-17)19(14)3/h4-8H,1-3H3,(H,18,21)" . "Fc1cc2C3(CCOc2cc1)NC(=O)NC3=O" . "Fc1cc2[C@]3(CCOc2cc1)NC(=O)NC3=O" . "LXANPKRCLVQAOG-NSHDSACASA-N" . "InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1" . "COc1ccc(cc1Cc1cnc2c(c1C)c(N)nc(n2)N)OC" . "COc1ccc(cc1Cc1cnc2c(c1C)c(N)nc(n2)N)OC" . "VJXSSYDSOJBUAV-UHFFFAOYSA-N" . "InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)" . "O=C(N1CCC(C1)(F)F)C1NCC(C1)N1CCN(CC1)c1ncccn1" . "O=C(N1CCC(C1)(F)F)[C@H]1NC[C@H](C1)N1CCN(CC1)c1ncccn1" . "QWEWGXUTRTXFRF-KBPBESRZSA-N" . "InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1" . "Nc1nc(C)c(c(n1)N)c1ccc(c(c1)Cl)Cl" . "Nc1nc(C)c(c(n1)N)c1ccc(c(c1)Cl)Cl" . "VQJHOPSWBGJHQS-UHFFFAOYSA-N" . "InChI=1S/C11H10Cl2N4/c1-5-9(10(14)17-11(15)16-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H4,14,15,16,17)" . "OC(=O)Cn1cc(c2c1cccc2)Cc1sc2c(n1)c(F)c(cc2F)F" . "OC(=O)Cn1cc(c2c1cccc2)Cc1sc2c(n1)c(F)c(cc2F)F" . "KYHVTMFADJNSGS-UHFFFAOYSA-N" . "InChI=1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25)" . "ONC(=O)CC(C(=O)NC(C(=O)NC)Cc1c[nH]c2c1cccc2)CC(C)C" . "ONC(=O)C[C@H](C(=O)N[C@H](C(=O)NC)Cc1c[nH]c2c1cccc2)CC(C)C" . "NITYDPDXAAFEIT-DYVFJYSZSA-N" . "InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1" . "COC1CC(N(C1)C(=O)Nc1ccc(cc1)Cl)C(=O)Nc1ccc(cc1F)n1ccccc1=O" . "CO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(cc1)Cl)C(=O)Nc1ccc(cc1F)n1ccccc1=O" . "QQBKAVAGLMGMHI-WIYYLYMNSA-N" . "InChI=1S/C24H22ClFN4O4/c1-34-18-13-21(30(14-18)24(33)27-16-7-5-15(25)6-8-16)23(32)28-20-10-9-17(12-19(20)26)29-11-3-2-4-22(29)31/h2-12,18,21H,13-14H2,1H3,(H,27,33)(H,28,32)/t18-,21-/m1/s1" . "N#CC1(CCC(CC1)C(=O)O)c1ccc(c(c1)OC1CCCC1)OC" . "N#C[C@@]1(CC[C@@H](CC1)C(=O)O)c1ccc(c(c1)OC1CCCC1)OC" . "CFBUZOUXXHZCFB-OYOVHJISSA-N" . "InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20-" . "Fc1ccc2c(c1)c(C(=O)O)c(c(n2)c1ccc(cc1)c1ccccc1F)C" . "Fc1ccc2c(c1)c(C(=O)O)c(c(n2)c1ccc(cc1)c1ccccc1F)C" . "PHEZJEYUWHETKO-UHFFFAOYSA-N" . "InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)" . "COC(C(=O)O)Cc1ccc(c2c1scc2)OCCc1nc(oc1C)c1ccccc1" . "CO[C@H](C(=O)O)Cc1ccc(c2c1scc2)OCCc1nc(oc1C)c1ccccc1" . "DAYKLWSKQJBGCS-NRFANRHFSA-N" . "InChI=1S/C24H23NO5S/c1-15-19(25-23(30-15)16-6-4-3-5-7-16)10-12-29-20-9-8-17(14-21(28-2)24(26)27)22-18(20)11-13-31-22/h3-9,11,13,21H,10,12,14H2,1-2H3,(H,26,27)/t21-/m0/s1" . "COc1cc(OC)cc(c1)c1ncc2c(c1)nc(cc2)C" . "COc1cc(OC)cc(c1)c1ncc2c(c1)nc(cc2)C" . "AWGMVVADCJSVIO-UHFFFAOYSA-N" . "InChI=1S/C17H16N2O2/c1-11-4-5-12-10-18-16(9-17(12)19-11)13-6-14(20-2)8-15(7-13)21-3/h4-10H,1-3H3" . "OC(=O)CCC(C(=O)O)NC(=O)c1ccc(s1)N(Cc1ccc2c(c1)c(=O)nc([nH]2)C)C" . "OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(s1)N(Cc1ccc2c(c1)c(=O)nc([nH]2)C)C" . "IVTVGDXNLFLDRM-HNNXBMFYSA-N" . "InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1" . "CCOc1ccc(cc1)NC(=O)C" . "CCOc1ccc(cc1)NC(=O)C" . "CPJSUEIXXCENMM-UHFFFAOYSA-N" . "InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)" . "[O-][N+](=O)c1ccc(c(c1)Oc1ccccc1)NS(=O)(=O)C" . "[O-][N+](=O)c1ccc(c(c1)Oc1ccccc1)NS(=O)(=O)C" . "HYWYRSMBCFDLJT-UHFFFAOYSA-N" . "InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3" . "O=C(Nc1c(I)cc(c(c1I)C(=O)O)I)CCCCC(=O)Nc1c(I)cc(c(c1I)C(=O)O)I" . "O=C(Nc1c(I)cc(c(c1I)C(=O)O)I)CCCCC(=O)Nc1c(I)cc(c(c1I)C(=O)O)I" . "FFINMCNLQNTKLU-UHFFFAOYSA-N" . "InChI=1S/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)" . "CC(C(=O)c1c(nn2c1cccc2)C(C)C)C" . "CC(C(=O)c1c(nn2c1cccc2)C(C)C)C" . "ZJVFLBOZORBYFE-UHFFFAOYSA-N" . "InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3" . "CCNC(C(=O)c1ccccc1)C" . "CCNC(C(=O)c1ccccc1)C" . "LYMHIBZGTAPASQ-UHFFFAOYSA-N" . "InChI=1S/C11H15NO/c1-3-12-9(2)11(13)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3" . "CC(Oc1cc(C2CCNCC2)c(cc1Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl)C)C" . "CC(Oc1cc(C2CCNCC2)c(cc1Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl)C)C" . "VERWOWGGCGHDQE-UHFFFAOYSA-N" . "InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)" . "CCC(=O)NCC1CC1c1cccc2c1CCO2" . "CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1CCO2" . "PTOIAAWZLUQTIO-GXFFZTMASA-N" . "InChI=1S/C15H19NO2/c1-2-15(17)16-9-10-8-13(10)11-4-3-5-14-12(11)6-7-18-14/h3-5,10,13H,2,6-9H2,1H3,(H,16,17)/t10-,13+/m0/s1" . "O=C(C(NP(=O)(Oc1ccccc1)OCC1OC(C(C1O)(F)F)n1ccc(nc1=O)N)C)OCc1ccccc1" . "O=C([C@@H](NP(=O)(Oc1ccccc1)OC[C@H]1O[C@H](C([C@H]1O)(F)F)n1ccc(nc1=O)N)C)OCc1ccccc1" . "NHTKGYOMICWFQZ-BSMFTPRPSA-N" . "InChI=1S/C25H27F2N4O8P/c1-16(22(33)36-14-17-8-4-2-5-9-17)30-40(35,39-18-10-6-3-7-11-18)37-15-19-21(32)25(26,27)23(38-19)31-13-12-20(28)29-24(31)34/h2-13,16,19,21,23,32H,14-15H2,1H3,(H,30,35)(H2,28,29,34)/t16-,19+,21-,23+,40?/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CCCCN)CCCCN)CCCCN)CCCCN)CCCCN)CCCCN)CO)C)CO)CO)CC(=O)N)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(Cc1[nH]cnc1)N)CCC(=O)O)Cc1ccccc1)CO)CC(=O)O)CC(C)C)CO)CCCCN)CCC(=O)N)CCSC)CCC(=O)O)CCC(=O)O)CCC(=O)O)C)CCCNC(=N)N)CC(C)C)Cc1ccccc1)CCC(=O)O)CC(C)C" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCCN)CCCCN)CCCCN)CCCCN)CCCCN)CCCCN)CO)C)CO)CO)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1[nH]cnc1)N)CCC(=O)O)Cc1ccccc1)CO)CC(=O)O)CC(C)C)CO)CCCCN)CCC(=O)N)CCSC)CCC(=O)O)CCC(=O)O)CCC(=O)O)C)CCCNC(=N)N)CC(C)C)Cc1ccccc1)CCC(=O)O)CC(C)C" . "XVVOERDUTLJJHN-IAEQDCLQSA-N" . "InChI=1S/C215H347N61O65S/c1-16-115(10)173(210(337)256-141(68-74-170(299)300)194(321)261-148(94-122-98-232-126-50-24-23-49-124(122)126)199(326)258-143(89-111(2)3)196(323)247-134(58-32-40-83-223)189(316)262-149(96-160(226)285)180(307)235-100-161(286)233-104-165(290)274-85-42-60-156(274)207(334)267-154(108-280)206(333)265-151(105-277)181(308)237-101-162(287)239-117(12)213(340)276-87-44-62-158(276)214(341)275-86-43-61-157(275)208(335)268-153(107-279)204(331)249-132(56-30-38-81-221)187(314)246-131(55-29-37-80-220)186(313)245-130(54-28-36-79-219)185(312)244-129(53-27-35-78-218)184(311)243-128(52-26-34-77-217)183(310)242-127(176(227)303)51-25-33-76-216)272-201(328)146(92-120-45-19-17-20-46-120)260-197(324)144(90-112(4)5)257-190(317)135(59-41-84-231-215(228)229)255-209(336)172(114(8)9)271-177(304)116(11)240-182(309)138(65-71-167(293)294)251-192(319)139(66-72-168(295)296)252-193(320)140(67-73-169(297)298)253-195(322)142(75-88-342-15)254-191(318)137(63-69-159(225)284)250-188(315)133(57-31-39-82-222)248-203(330)152(106-278)266-198(325)145(91-113(6)7)259-200(327)150(97-171(301)302)263-205(332)155(109-281)269-212(339)175(119(14)283)273-202(329)147(93-121-47-21-18-22-48-121)264-211(338)174(118(13)282)270-164(289)103-236-179(306)136(64-70-166(291)292)241-163(288)102-234-178(305)125(224)95-123-99-230-110-238-123/h17-24,45-50,98-99,110-119,125,127-158,172-175,232,277-283H,16,25-44,51-97,100-109,216-224H2,1-15H3,(H2,225,284)(H2,226,285)(H2,227,303)(H,230,238)(H,233,286)(H,234,305)(H,235,307)(H,236,306)(H,237,308)(H,239,287)(H,240,309)(H,241,288)(H,242,310)(H,243,311)(H,244,312)(H,245,313)(H,246,314)(H,247,323)(H,248,330)(H,249,331)(H,250,315)(H,251,319)(H,252,320)(H,253,322)(H,254,318)(H,255,336)(H,256,337)(H,257,317)(H,258,326)(H,259,327)(H,260,324)(H,261,321)(H,262,316)(H,263,332)(H,264,338)(H,265,333)(H,266,325)(H,267,334)(H,268,335)(H,269,339)(H,270,289)(H,271,304)(H,272,328)(H,273,329)(H,291,292)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H,301,302)(H4,228,229,231)/t115-,116-,117-,118+,119+,125-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,172-,173-,174-,175-/m0/s1" . "CN(C(=O)c1cc2c(n1C1CCCC1)nc(nc2)Nc1ccc(cn1)N1CCNCC1)C" . "CN(C(=O)c1cc2c(n1C1CCCC1)nc(nc2)Nc1ccc(cn1)N1CCNCC1)C" . "RHXHGRAEPCAFML-UHFFFAOYSA-N" . "InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)" . "CCN1CCN(CC1)Cc1ccc(nc1)Nc1ncc(c(n1)c1cc(F)c2c(c1)n(C(C)C)c(n2)C)F" . "CCN1CCN(CC1)Cc1ccc(nc1)Nc1ncc(c(n1)c1cc(F)c2c(c1)n(C(C)C)c(n2)C)F" . "UZWDCWONPYILKI-UHFFFAOYSA-N" . "InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)" . "O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C" . "O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C" . "RCOBWVAGWYRNHZ-UHFFFAOYSA-N" . "InChI=1S/C20H25F3N4O3/c1-15-13-24-19(29)27(18(15)28)8-4-7-25-9-11-26(12-10-25)16-5-2-3-6-17(16)30-14-20(21,22)23/h2-3,5-6,13H,4,7-12,14H2,1H3,(H,24,29)" . "CC(=O)c1c(C)c2cnc(nc2n(c1=O)C1CCCC1)Nc1ccc(cn1)N1CCNCC1" . "CC(=O)c1c(C)c2cnc(nc2n(c1=O)C1CCCC1)Nc1ccc(cn1)N1CCNCC1" . "AHJRHEGDXFFMBM-UHFFFAOYSA-N" . "InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)" . "OCCC1CCCCN1c1cc(NCc2ccc[n+](c2)[O-])n2c(n1)c(CC)cn2" . "OCC[C@@H]1CCCCN1c1cc(NCc2ccc[n+](c2)[O-])n2c(n1)c(CC)cn2" . "PIMQWRZWLQKKBJ-SFHVURJKSA-N" . "InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1" . "OC(=O)CCc1nc(c(o1)c1ccccc1)c1ccccc1" . "OC(=O)CCc1nc(c(o1)c1ccccc1)c1ccccc1" . "OFPXSFXSNFPTHF-UHFFFAOYSA-N" . "InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)" . "O=C(Nc1ccc(cc1)C(C)(C)C)NCCCN(C(C)C)CC1OC(C(C1O)O)n1ccc2c1ncnc2N" . "O=C(Nc1ccc(cc1)C(C)(C)C)NCCCN(C(C)C)C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc2c1ncnc2N" . "WXRGFPHDRFQODR-ICLZECGLSA-N" . "InChI=1S/C28H41N7O4/c1-17(2)34(13-6-12-30-27(38)33-19-9-7-18(8-10-19)28(3,4)5)15-21-22(36)23(37)26(39-21)35-14-11-20-24(29)31-16-32-25(20)35/h7-11,14,16-17,21-23,26,36-37H,6,12-13,15H2,1-5H3,(H2,29,31,32)(H2,30,33,38)/t21-,22-,23-,26-/m1/s1" . "COCCN1CCC(CC1)N(C(=O)Cn1c(SCc2cccc(c2F)F)cc(=O)c2c1cccc2)Cc1ccc(cc1)c1ccc(cc1)C(F)(F)F" . "COCCN1CCC(CC1)N(C(=O)Cn1c(SCc2cccc(c2F)F)cc(=O)c2c1cccc2)Cc1ccc(cc1)c1ccc(cc1)C(F)(F)F" . "NNBGCSGCRSCFEA-UHFFFAOYSA-N" . "InChI=1S/C40H38F5N3O3S/c1-51-22-21-46-19-17-32(18-20-46)47(24-27-9-11-28(12-10-27)29-13-15-31(16-14-29)40(43,44)45)37(50)25-48-35-8-3-2-6-33(35)36(49)23-38(48)52-26-30-5-4-7-34(41)39(30)42/h2-16,23,32H,17-22,24-26H2,1H3" . "O=C(c1ccccc1)Nc1nc2c(n1CCCc1ccccc1)ccc(c2)C(=O)O" . "O=C(c1ccccc1)Nc1nc2c(n1CCCc1ccccc1)ccc(c2)C(=O)O" . "WPXMEOBILYVKBC-UHFFFAOYSA-N" . "InChI=1S/C24H21N3O3/c28-22(18-11-5-2-6-12-18)26-24-25-20-16-19(23(29)30)13-14-21(20)27(24)15-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-14,16H,7,10,15H2,(H,29,30)(H,25,26,28)" . "ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1OC(CSc2nc(c(o2)c2ccccc2)c2ccccc2)CC(O1)c1ccc(cc1)CO" . "ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)[C@H]1O[C@@H](CSc2nc(c(o2)c2ccccc2)c2ccccc2)C[C@H](O1)c1ccc(cc1)CO" . "BHUZLJOUHMBZQY-YXQOSMAKSA-N" . "InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1" . "CCOc1cc(ccc1OC)C(N1C(=O)c2c(C1=O)c(ccc2)NC(=O)C)CS(=O)(=O)C" . "CCOc1cc(ccc1OC)[C@H](N1C(=O)c2c(C1=O)c(ccc2)NC(=O)C)CS(=O)(=O)C" . "IMOZEMNVLZVGJZ-QGZVFWFLSA-N" . "InChI=1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)/t17-/m1/s1" . "Cc1ccc(cc1)c1ccc(cn1)OC1CN2CCC1CC2" . "Cc1ccc(cc1)c1ccc(cn1)O[C@H]1CN2CCC1CC2" . "NPDLTEZXGWRMLQ-IBGZPJMESA-N" . "InChI=1S/C19H22N2O/c1-14-2-4-15(5-3-14)18-7-6-17(12-20-18)22-19-13-21-10-8-16(19)9-11-21/h2-7,12,16,19H,8-11,13H2,1H3/t19-/m0/s1" . "Fc1ccc(c(c1)C(F)(F)F)N1CCN(C(C1)C)S(=O)(=O)c1ccc(cc1Cl)C(=O)N" . "Fc1ccc(c(c1)C(F)(F)F)N1CCN([C@@H](C1)C)S(=O)(=O)c1ccc(cc1Cl)C(=O)N" . "OMWNFYWEMXUREB-LLVKDONJSA-N" . "InChI=1S/C19H18ClF4N3O3S/c1-11-10-26(16-4-3-13(21)9-14(16)19(22,23)24)6-7-27(11)31(29,30)17-5-2-12(18(25)28)8-15(17)20/h2-5,8-9,11H,6-7,10H2,1H3,(H2,25,28)/t11-/m1/s1" . "C#CCN(Cc1cc2c(n1C)ccc(c2)OCCCC1CCN(CC1)Cc1ccccc1)C" . "C#CCN(Cc1cc2c(n1C)ccc(c2)OCCCC1CCN(CC1)Cc1ccccc1)C" . "ADCBAOTWERXLAP-UHFFFAOYSA-N" . "InChI=1S/C29H37N3O/c1-4-16-30(2)23-27-20-26-21-28(12-13-29(26)31(27)3)33-19-8-11-24-14-17-32(18-15-24)22-25-9-6-5-7-10-25/h1,5-7,9-10,12-13,20-21,24H,8,11,14-19,22-23H2,2-3H3" . "ClC(C1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl" . "ClC(C1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl" . "LMJSLTNSBFUCMU-UHFFFAOYSA-N" . "InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)" . "CC(OC(=O)C(NP(=O)(Oc1ccccc1)OCC1OC(C(C1O)(C)F)n1ccc(=O)[nH]c1=O)C)C" . "CC(OC(=O)[C@@H](N[P@@](=O)(Oc1ccccc1)OC[C@H]1O[C@H]([C@]([C@@H]1O)(C)F)n1ccc(=O)[nH]c1=O)C)C" . "TTZHDVOVKQGIBA-IQWMDFIBSA-N" . "InChI=1S/C22H29FN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16+,18+,20+,22+,36-/m0/s1" . "COc1ccc2c(c1C)nc(cc2OC1CC2C(C1)C(=O)N(C)CCCCC=CC1C(NC2=O)(C1)C(=O)NS(=O)(=O)C1CC1)c1scc(n1)C(C)C" . "COc1ccc2c(c1C)nc(cc2O[C@@H]1C[C@@H]2[C@@H](C1)C(=O)N(C)CCCC/C=C/[C@H]1[C@](NC2=O)(C1)C(=O)NS(=O)(=O)C1CC1)c1scc(n1)C(C)C" . "JTZZSQYMACOLNN-VDWJNHBNSA-N" . "InChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,44)(H,42,46)/b10-8-/t23-,24-,27-,28-,38-/m1/s1" . "N#CC(=C1SCC(S1)c1ccc(cc1Cl)Cl)n1cncc1" . "N#C/C(=C/1/SC[C@H](S1)c1ccc(cc1Cl)Cl)/n1cncc1" . "YTAOBBFIOAEMLL-REQDGWNSSA-N" . "InChI=1S/C14H9Cl2N3S2/c15-9-1-2-10(11(16)5-9)13-7-20-14(21-13)12(6-17)19-4-3-18-8-19/h1-5,8,13H,7H2/b14-12+/t13-/m0/s1" . "Fc1ccc(c(c1)F)CNC(=O)c1cn2CC3OCCC(N3C(=O)c2c(c1=O)O)C" . "Fc1ccc(c(c1)F)CNC(=O)c1cn2C[C@@H]3OCC[C@H](N3C(=O)c2c(c1=O)O)C" . "RHWKPHLQXYSBKR-BMIGLBTASA-N" . "InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1" . "CN(CCOC(c1ccccc1C)c1ccccc1)C" . "CN(CCOC(c1ccccc1C)c1ccccc1)C" . "QVYRGXJJSLMXQH-UHFFFAOYSA-N" . "InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3" . "COCCOC1C(SP(=O)(OCC2OC(CC2SP(=O)(OCC2OC(CC2SP(=O)(OCC2OC(CC2SP(=O)(OCC2OC(CC2SP(=O)(OCC2OC(CC2SP(=O)(OCC2OC(CC2SP(=O)(OCC2OC(CC2SP(=O)(OCC2OC(CC2SP(=O)(OCC2OC(CC2SP(=O)(OCC2OC(CC2SP(=O)(OCC2OC(C(C2SP(=O)(OCC2OC(C(C2SP(=O)(OCC2OC(C(C2SP(=O)(OCC2OC(C(C2SP(=O)(OCC2OC(C(C2O)OCCOC)n2cc(C)c(nc2=O)N)[O-])OCCOC)n2cc(C)c(nc2=O)N)[O-])OCCOC)n2cnc3c2ncnc3N)[O-])OCCOC)n2cc(C)c(nc2=O)N)[O-])OCCOC)n2cnc3c2nc(N)[nH]c3=O)[O-])n2cc(C)c(nc2=O)N)[O-])n2cc(C)c(=O)[nH]c2=O)[O-])n2cc(C)c(=O)[nH]c2=O)[O-])n2cc(C)c(nc2=O)N)[O-])n2cnc3c2nc(N)[nH]c3=O)[O-])n2cc(C)c(=O)[nH]c2=O)[O-])n2cc(C)c(nc2=O)N)[O-])n2cc(C)c(=O)[nH]c2=O)[O-])n2cnc3c2nc(N)[nH]c3=O)[O-])n2cnc3c2ncnc3N)[O-])C(OC1n1cc(C)c(nc1=O)N)COP(=O)(SC1C(COP(=O)(SC2C(COP(=O)(SC3C(COP(=O)(SC4C(CO)OC(C4OCCOC)n4cnc5c4nc(N)[nH]c5=O)[O-])OC(C3OCCOC)n3cc(C)c(nc3=O)N)[O-])OC(C2OCCOC)n2cc(C)c(nc2=O)N)[O-])OC(C1OCCOC)n1cc(C)c(=O)[nH]c1=O)[O-]" . "COCCO[C@@H]1[C@H](SP(=O)(OC[C@H]2O[C@H](C[C@@H]2SP(=O)(OC[C@H]2O[C@H](C[C@@H]2SP(=O)(OC[C@H]2O[C@H](C[C@@H]2SP(=O)(OC[C@H]2O[C@H](C[C@@H]2SP(=O)(OC[C@H]2O[C@H](C[C@@H]2SP(=O)(OC[C@H]2O[C@H](C[C@@H]2SP(=O)(OC[C@H]2O[C@H](C[C@@H]2SP(=O)(OC[C@H]2O[C@H](C[C@@H]2SP(=O)(OC[C@H]2O[C@H](C[C@@H]2SP(=O)(OC[C@H]2O[C@H](C[C@@H]2SP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2SP(=O)(OC[C@@H]2O[C@@H]([C@H]([C@H]2SP(=O)(OC[C@@H]2O[C@@H]([C@H]([C@H]2SP(=O)(OC[C@@H]2O[C@@H]([C@H]([C@H]2SP(=O)(OC[C@@H]2O[C@@H]([C@H]([C@H]2O)OCCOC)n2cc(C)c(nc2=O)N)[O-])OCCOC)n2cc(C)c(nc2=O)N)[O-])OCCOC)n2cnc3c2ncnc3N)[O-])OCCOC)n2cc(C)c(nc2=O)N)[O-])OCCOC)n2cnc3c2nc(N)[nH]c3=O)[O-])n2cc(C)c(nc2=O)N)[O-])n2cc(C)c(=O)[nH]c2=O)[O-])n2cc(C)c(=O)[nH]c2=O)[O-])n2cc(C)c(nc2=O)N)[O-])n2cnc3c2nc(N)[nH]c3=O)[O-])n2cc(C)c(=O)[nH]c2=O)[O-])n2cc(C)c(nc2=O)N)[O-])n2cc(C)c(=O)[nH]c2=O)[O-])n2cnc3c2nc(N)[nH]c3=O)[O-])n2cnc3c2ncnc3N)[O-])[C@H](O[C@H]1n1cc(C)c(nc1=O)N)COP(=O)(S[C@@H]1[C@@H](COP(=O)(S[C@@H]2[C@@H](COP(=O)(S[C@@H]3[C@@H](COP(=O)(S[C@@H]4[C@@H](CO)O[C@H]([C@@H]4OCCOC)n4cnc5c4nc(N)[nH]c5=O)[O-])O[C@H]([C@@H]3OCCOC)n3cc(C)c(nc3=O)N)[O-])O[C@H]([C@@H]2OCCOC)n2cc(C)c(nc2=O)N)[O-])O[C@H]([C@@H]1OCCOC)n1cc(C)c(=O)[nH]c1=O)[O-]" . "TZRFSLHOCZEXCC-HIVFKXHNSA-A" . "CCC(C(C(=O)NC(C(=O)O)CC(C)C)NC(=O)C(Cc1ccc(cc1)O)NC(=O)C1CCCN1C(=O)C(NC(=O)C(CCCN=C(N)N)N)CCCN=C(N)N)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O" . "DQDBCHHEIKQPJD-ODKJCKIQSA-N" . "InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25-,26-,27-,28-,29-,30-/m0/s1" . "Oc1ccc2c(c1)CNC(C2)C(=O)NC(C(C)C)CN1CCC(C(C1)C)(C)c1cccc(c1)O" . "Oc1ccc2c(c1)CN[C@H](C2)C(=O)N[C@@H](C(C)C)CN1CC[C@@]([C@H](C1)C)(C)c1cccc(c1)O" . "ZLVXBBHTMQJRSX-VMGNSXQWSA-N" . "InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1" . "O=C(C1CCCN1Cc1ccccc1)NCCCN1CCC2(CC1)OCc1c2cccc1" . "O=C([C@H]1CCCN1Cc1ccccc1)NCCCN1CCC2(CC1)OCc1c2cccc1" . "MAKMQGKJURAJEN-RUZDIDTESA-N" . "InChI=1S/C27H35N3O2/c31-26(25-12-6-17-30(25)20-22-8-2-1-3-9-22)28-15-7-16-29-18-13-27(14-19-29)24-11-5-4-10-23(24)21-32-27/h1-5,8-11,25H,6-7,12-21H2,(H,28,31)/t25-/m1/s1" . "O=C1OC(C(=O)N1C)(C)C" . "O=C1OC(C(=O)N1C)(C)C" . "IRYJRGCIQBGHIV-UHFFFAOYSA-N" . "InChI=1S/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3" . "CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1" . "CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)C(=O)NS(=O)(=O)Cc1ccccc1" . "NEMHKCNXXRQYRF-UHFFFAOYSA-N" . "InChI=1S/C23H26N4O5S/c1-3-32-23(29)20-13-19(14-24)21(25-16(20)2)27-11-9-18(10-12-27)22(28)26-33(30,31)15-17-7-5-4-6-8-17/h4-8,13,18H,3,9-12,15H2,1-2H3,(H,26,28)" . "OC(CC(CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccc(cc1)O" . "O[C@@H](C[C@H](CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccc(cc1)O" . "SOZOATLLFFVAPM-KAYWLYCHSA-N" . "InChI=1S/C33H35FN2O6/c1-20(2)31-30(33(42)35-24-12-14-25(37)15-13-24)29(21-6-4-3-5-7-21)32(22-8-10-23(34)11-9-22)36(31)17-16-26(38)18-27(39)19-28(40)41/h3-15,20,26-27,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41)/t26-,27-/m1/s1" . "COc1cc(ccc1n1cnc(c1)C)C=C1CCCN(C1=O)C(c1ccc(cc1)F)C" . "COc1cc(ccc1n1cnc(c1)C)/C=C/1/CCCN(C1=O)[C@H](c1ccc(cc1)F)C" . "PUOAETJYKQITMO-LANLRWRYSA-N" . "InChI=1S/C25H26FN3O2/c1-17-15-28(16-27-17)23-11-6-19(14-24(23)31-3)13-21-5-4-12-29(25(21)30)18(2)20-7-9-22(26)10-8-20/h6-11,13-16,18H,4-5,12H2,1-3H3/b21-13+/t18-/m0/s1" . "O=C(C(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)(C)C)NC1C2CC3CC1CC(C2)(C3)C(=O)N" . "O=C(C(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)(C)C)NC1C2CC3CC1CC(C2)(C3)C(=O)N" . "CLHMYBJIOZXCEX-UHFFFAOYSA-N" . "InChI=1S/C25H34F3N5O2/c1-23(2,33-7-5-32(6-8-33)19-4-3-18(14-30-19)25(26,27)28)22(35)31-20-16-9-15-10-17(20)13-24(11-15,12-16)21(29)34/h3-4,14-17,20H,5-13H2,1-2H3,(H2,29,34)(H,31,35)" . "CN(CCCOc1ccc2c(c1)c([nH]n2)S(=O)(=O)c1cccc2c1cccc2)C" . "CN(CCCOc1ccc2c(c1)c([nH]n2)S(=O)(=O)c1cccc2c1cccc2)C" . "NXQGEDVQXVTCDA-UHFFFAOYSA-N" . "InChI=1S/C22H23N3O3S/c1-25(2)13-6-14-28-17-11-12-20-19(15-17)22(24-23-20)29(26,27)21-10-5-8-16-7-3-4-9-18(16)21/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,23,24)" . "Oc1ccc2c(c1)c(C)c(n2Cc1ccc(cc1)OCCN1CCCCCC1)c1ccc(cc1)O" . "Oc1ccc2c(c1)c(C)c(n2Cc1ccc(cc1)OCCN1CCCCCC1)c1ccc(cc1)O" . "UCJGJABZCDBEDK-UHFFFAOYSA-N" . "InChI=1S/C30H34N2O3/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3" . "OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1" . "OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1" . "FVTWTVQXNAJTQP-UHFFFAOYSA-N" . "InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1" . "OCc1cc(ccc1O)C(CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O" . "OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O" . "DAFYYTQWSAWIGS-DEOSSOPVSA-N" . "InChI=1S/C24H33Cl2NO5/c25-21-6-5-7-22(26)20(21)17-32-13-12-31-11-4-2-1-3-10-27-15-24(30)18-8-9-23(29)19(14-18)16-28/h5-9,14,24,27-30H,1-4,10-13,15-17H2/t24-/m0/s1" . "OC(c1cc(O)cc(c1)O)CNC(C)C" . "OC(c1cc(O)cc(c1)O)CNC(C)C" . "LMOINURANNBYCM-UHFFFAOYSA-N" . "InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3" . "CCCNS(=O)(=O)Nc1ncnc(c1c1ccc(cc1)Br)OCCOc1ncc(cn1)Br" . "CCCNS(=O)(=O)Nc1ncnc(c1c1ccc(cc1)Br)OCCOc1ncc(cn1)Br" . "JGCMEBMXRHSZKX-UHFFFAOYSA-N" . "InChI=1S/C19H20Br2N6O4S/c1-2-7-26-32(28,29)27-17-16(13-3-5-14(20)6-4-13)18(25-12-24-17)30-8-9-31-19-22-10-15(21)11-23-19/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,25,27)" . "Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1" . "Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1" . "YQNWZWMKLDQSAC-UHFFFAOYSA-N" . "InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3" . "OC1Cc2ccccc2N(c2c1cccc2)C(=O)N" . "O[C@H]1Cc2ccccc2N(c2c1cccc2)C(=O)N" . "BMPDWHIDQYTSHX-AWEZNQCLSA-N" . "InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19)/t14-/m0/s1" . "ClCCC(=C(c1ccccc1)c1ccc(cc1)OCCO)c1ccccc1" . "ClCC/C(=C(/c1ccccc1)/c1ccc(cc1)OCCO)/c1ccccc1" . "LUMKNAVTFCDUIE-VHXPQNKSSA-N" . "InChI=1S/C24H23ClO2/c25-16-15-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)21-11-13-22(14-12-21)27-18-17-26/h1-14,26H,15-18H2/b24-23-" . "O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)c(N)ccc2" . "O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)c(N)ccc2" . "UVSMNLNDYGZFPF-UHFFFAOYSA-N" . "InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)" . "Cc1nc2cccc(c2c(=O)n1c1ccc(cc1)OCCCN1CCCC1)C(F)(F)F" . "Cc1nc2cccc(c2c(=O)n1c1ccc(cc1)OCCCN1CCCC1)C(F)(F)F" . "DDDZBLNULGDPGA-UHFFFAOYSA-N" . "InChI=1S/C23H24F3N3O2/c1-16-27-20-7-4-6-19(23(24,25)26)21(20)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3" . "FCCOCCOCCOc1ccc(cn1)C=Cc1ccc(cc1)NC" . "[18F]CCOCCOCCOc1ccc(cn1)/C=C/c1ccc(cc1)NC" . "YNDIAUKFXKEXSV-CRYLGTRXSA-N" . "InChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h2-9,16,22H,10-15H2,1H3/b3-2+/i21-1" . "CNc1ccc(cc1F)c1nc2c(s1)cc(cc2)O" . "CNc1ccc(cc1[18F])c1nc2c(s1)cc(cc2)O" . "VVECGOCJFKTUAX-HUYCHCPVSA-N" . "InChI=1S/C14H11FN2OS/c1-16-11-4-2-8(6-10(11)15)14-17-12-5-3-9(18)7-13(12)19-14/h2-7,16,18H,1H3/i15-1" . "O=C1Nc2ccccc2c2c(C1NC(=O)C(C(=O)NCC(C(F)(F)F)(F)F)(C)C)cccc2" . "O=C1Nc2ccccc2c2c([C@@H]1NC(=O)C(C(=O)NCC(C(F)(F)F)(F)F)(C)C)cccc2" . "OJPLJFIFUQPSJR-INIZCTEOSA-N" . "InChI=1S/C22H20F5N3O3/c1-20(2,18(32)28-11-21(23,24)22(25,26)27)19(33)30-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)29-17(16)31/h3-10,16H,11H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)/t16-/m0/s1" . "Fc1cc2c3[nH]ncc3C(N(c2cc1F)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C1CC1" . "Fc1cc2c3[nH]ncc3[C@H](N(c2cc1F)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C1CC1" . "XODSHWXKSMPDRP-LJQANCHMSA-N" . "InChI=1S/C20H14F5N3O2S/c21-15-7-13-17(8-16(15)22)28(19(10-1-2-10)14-9-26-27-18(13)14)31(29,30)12-5-3-11(4-6-12)20(23,24)25/h3-10,19H,1-2H2,(H,26,27)/t19-/m1/s1" . "CCOC(=O)c1cnc2c(c1NN=C(C)C)cnn2CC" . "CCOC(=O)c1cnc2c(c1NN=C(C)C)cnn2CC" . "OPQRBXUBWHDHPQ-UHFFFAOYSA-N" . "InChI=1S/C14H19N5O2/c1-5-19-13-10(8-16-19)12(18-17-9(3)4)11(7-15-13)14(20)21-6-2/h7-8H,5-6H2,1-4H3,(H,15,18)" . "COc1ccsc1CNCCC1(CCOC2(C1)CCCC2)c1ccccn1" . "COc1ccsc1CNCC[C@]1(CCOC2(C1)CCCC2)c1ccccn1" . "DMNOVGJWPASQDL-OAQYLSRUSA-N" . "InChI=1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3/t21-/m1/s1" . "CCN(CCOP(=O)(O)O)CCCOc1ccc2c(c1)ncnc2Nc1n[nH]c(c1)CC(=O)Nc1cccc(c1)F" . "CCN(CCOP(=O)(O)O)CCCOc1ccc2c(c1)ncnc2Nc1n[nH]c(c1)CC(=O)Nc1cccc(c1)F" . "GBJVVSCPOBPEIT-UHFFFAOYSA-N" . "InChI=1S/C26H31FN7O6P/c1-2-34(10-12-40-41(36,37)38)9-4-11-39-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(35)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17H,2,4,9-12,15H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32,33)" . "OC1=NC(=O)C(CC1)N1Cc2c(C1=O)cccc2N" . "OC1=NC(=O)C(CC1)N1Cc2c(C1=O)cccc2N" . "GOTYRUGSSMKFNF-UHFFFAOYSA-N" . "InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)" . "CCC1(CC)C(=NC(=O)N(C1=O)C)O" . "CCC1(CC)C(=NC(=O)N(C1=O)C)O" . "FWJKNZONDWOGMI-UHFFFAOYSA-N" . "InChI=1S/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,10,12,14)" . "OC1=NC(=O)CN(C1)CC(N1CC(=NC(=O)C1)O)C" . "OC1=NC(=O)CN(C1)C[C@@H](N1CC(=NC(=O)C1)O)C" . "BMKDZUISNHGIBY-ZETCQYMHSA-N" . "InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m0/s1" . "Cc1cccn2c1ncc(c2=O)c1n[nH]nn1" . "Cc1cccn2c1ncc(c2=O)c1n[nH]nn1" . "HIANJWSAHKJQTH-UHFFFAOYSA-N" . "InChI=1S/C10H8N6O/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8/h2-5H,1H3,(H,12,13,14,15)" . "OCC(CO)(CO)N" . "OCC(CO)(CO)N" . "LENZDBCJOHFCAS-UHFFFAOYSA-N" . "InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2" . "OC1=NC(=O)C(CC1)N1C(=O)c2c(C1=O)cccc2" . "OC1=NC(=O)C(CC1)N1C(=O)c2c(C1=O)cccc2" . "UEJJHQNACJXSKW-UHFFFAOYSA-N" . "InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)" . "NN=c1[nH]ncc2c1cccc2" . "NN=c1[nH]ncc2c1cccc2" . "RPTUSVTUFVMDQK-UHFFFAOYSA-N" . "InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)" . "C#CC1(CCCCC1)OC(=N)O" . "C#CC1(CCCCC1)OC(=N)O" . "GXRZIMHKGDIBEW-UHFFFAOYSA-N" . "InChI=1S/C9H13NO2/c1-2-9(12-8(10)11)6-4-3-5-7-9/h1H,3-7H2,(H2,10,11)" . "CN(CCC(c1ccccc1Cl)(c1ccccc1)O)C" . "CN(CCC(c1ccccc1Cl)(c1ccccc1)O)C" . "WRCHFMBCVFFYEQ-UHFFFAOYSA-N" . "InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3" . "CN1C(=O)CCS(=O)(=O)C1c1ccc(cc1)Cl" . "CN1C(=O)CCS(=O)(=O)C1c1ccc(cc1)Cl" . "WEQAYVWKMWHEJO-UHFFFAOYSA-N" . "InChI=1S/C11H12ClNO3S/c1-13-10(14)6-7-17(15,16)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3" . "COc1ccc(cc1)C(C1(O)CCCCC1)CN(C)C" . "COc1ccc(cc1)C(C1(O)CCCCC1)CN(C)C" . "PNVNVHUZROJLTJ-UHFFFAOYSA-N" . "InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3" . "CCOc1ccc(cc1c1nc(=O)c2n([nH]1)c(CCC)nc2C)S(=O)(=O)N1CCN(CC1)CC" . "CCOc1ccc(cc1c1nc(=O)c2n([nH]1)c(CCC)nc2C)S(=O)(=O)N1CCN(CC1)CC" . "SECKRCOLJRRGGV-UHFFFAOYSA-N" . "InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)" . "CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1" . "CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1" . "BGDKAVGWHJFAGW-UHFFFAOYSA-N" . "InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3" . "CN(CCN(c1ccccn1)Cc1ccccc1)C" . "CN(CCN(c1ccccn1)Cc1ccccc1)C" . "UFLGIAIHIAPJJC-UHFFFAOYSA-N" . "InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3" . "CN(CC(CN1c2ccccc2CCc2c1cccc2)C)C" . "CN(CC(CN1c2ccccc2CCc2c1cccc2)C)C" . "ZSCDBOWYZJWBIY-UHFFFAOYSA-N" . "InChI=1S/C20H26N2/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22/h4-11,16H,12-15H2,1-3H3" . "Cc1cccc(c1)N=c1cc[nH]cc1S(=O)(=O)NC(=NC(C)C)O" . "Cc1cccc(c1)N=c1cc[nH]cc1S(=O)(=O)NC(=NC(C)C)O" . "NGBFQHCMQULJNZ-UHFFFAOYSA-N" . "InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)" . "OC(=O)Cc1ccc(n1C)C(=O)c1ccc(cc1)C" . "OC(=O)Cc1ccc(n1C)C(=O)c1ccc(cc1)C" . "UPSPUYADGBWSHF-UHFFFAOYSA-N" . "InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)" . "c1ccc(cc1)CC1=NCCN1" . "c1ccc(cc1)CC1=NCCN1" . "JIVZKJJQOZQXQB-UHFFFAOYSA-N" . "InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)" . "CC(C(=Nc1c(C)cccc1C)O)N" . "CC(C(=Nc1c(C)cccc1C)O)N" . "BUJAGSGYPOAWEI-UHFFFAOYSA-N" . "InChI=1S/C11H16N2O/c1-7-5-4-6-8(2)10(7)13-11(14)9(3)12/h4-6,9H,12H2,1-3H3,(H,13,14)" . "Clc1ccc2c(c1NC1=NCCN1)nsn2" . "Clc1ccc2c(c1NC1=NCCN1)nsn2" . "XFYDIVBRZNQMJC-UHFFFAOYSA-N" . "InChI=1S/C9H8ClN5S/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9/h1-2H,3-4H2,(H2,11,12,13)" . "Clc1ccccc1CN1CCc2c(C1)ccs2" . "Clc1ccccc1CN1CCc2c(C1)ccs2" . "PHWBOXQYWZNQIN-UHFFFAOYSA-N" . "InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2" . "CCSc1ccc2c(c1)N(CCCN1CCN(CC1)C)c1c(S2)cccc1" . "CCSc1ccc2c(c1)N(CCCN1CCN(CC1)C)c1c(S2)cccc1" . "XCTYLCDETUVOIP-UHFFFAOYSA-N" . "InChI=1S/C22H29N3S2/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24/h4-5,7-10,17H,3,6,11-16H2,1-2H3" . "CCCC(C1(CC=C)C(=NC(=S)N=C1O)O)C" . "CCCC(C1(CC=C)C(=NC(=S)N=C1O)O)C" . "XLOMZPUITCYLMJ-UHFFFAOYSA-N" . "InChI=1S/C12H18N2O2S/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)" . "c1scc(n1)c1nc2c([nH]1)cccc2" . "c1scc(n1)c1nc2c([nH]1)cccc2" . "WJCNZQLZVWNLKY-UHFFFAOYSA-N" . "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" . "O=C1C=CC2(C(=C1)CCC1C2CCC2(C1CCC(=O)O2)C)C" . "O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)O2)C)C" . "BPEWUONYVDABNZ-DZBHQSCQSA-N" . "InChI=1S/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1" . "COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1" . "COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1" . "VCKUSRYTPJJLNI-UHFFFAOYSA-N" . "InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)" . "NC(=O)c1ncn2c1nnn(c2=O)C" . "NC(=O)c1ncn2c1nnn(c2=O)C" . "BPEGJWRSRHCHSN-UHFFFAOYSA-N" . "InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)" . "O=C1N(C)CC(=O)N2C1Cc1c(C2c2ccc3c(c2)OCO3)[nH]c2c1cccc2" . "O=C1N(C)CC(=O)N2[C@@H]1Cc1c([C@H]2c2ccc3c(c2)OCO3)[nH]c2c1cccc2" . "WOXKDUGGOYFFRN-IIBYNOLFSA-N" . "InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1" . "OC(=O)C(c1ccc(cc1)C(=O)c1cccs1)C" . "OC(=O)C(c1ccc(cc1)C(=O)c1cccs1)C" . "MDKGKXOCJGEUJW-UHFFFAOYSA-N" . "InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17)" . "CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C" . "CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C" . "ZBMZVLHSJCTVON-UHFFFAOYSA-N" . "InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3" . "FCOC(C(F)(F)F)C(F)(F)F" . "FCOC(C(F)(F)F)C(F)(F)F" . "DFEYYRMXOJXZRJ-UHFFFAOYSA-N" . "InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2" . "CCCN(CCC)CCc1cccc2c1CC(=N2)O" . "CCCN(CCC)CCc1cccc2c1CC(=N2)O" . "UHSKFQJFRQCDBE-UHFFFAOYSA-N" . "InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)" . "Oc1ccc(cc1)CCNC(C(c1ccc(cc1)O)O)C" . "Oc1ccc(cc1)CCN[C@H]([C@@H](c1ccc(cc1)O)O)C" . "IOVGROKTTNBUGK-SJCJKPOMSA-N" . "InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1" . "COC(=O)C1(CCN(CC1)CCC(=O)OC)N(c1ccccc1)C(=O)CC" . "COC(=O)C1(CCN(CC1)CCC(=O)OC)N(c1ccccc1)C(=O)CC" . "ZTVQQQVZCWLTDF-UHFFFAOYSA-N" . "InChI=1S/C20H28N2O5/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2/h5-9H,4,10-15H2,1-3H3" . "COc1ccccc1OCC(CN1CCN(CC1)CC(=Nc1c(C)cccc1C)O)O" . "COc1ccccc1OCC(CN1CCN(CC1)CC(=Nc1c(C)cccc1C)O)O" . "XKLMZUWKNUAPSZ-UHFFFAOYSA-N" . "InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)" . "COCCCOc1ccnc(c1C)CS(=O)c1nc2c([nH]1)cccc2" . "COCCCOc1ccnc(c1C)CS(=O)c1nc2c([nH]1)cccc2" . "YREYEVIYCVEVJK-UHFFFAOYSA-N" . "InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)" . "CCC1Nc2cc(Cl)c(cc2C(=N1)O)S(=O)(=O)N" . "CCC1Nc2cc(Cl)c(cc2C(=N1)O)S(=O)(=O)N" . "AGMMTXLNIQSRCG-UHFFFAOYSA-N" . "InChI=1S/C10H12ClN3O3S/c1-2-9-13-7-4-6(11)8(18(12,16)17)3-5(7)10(15)14-9/h3-4,9,13H,2H2,1H3,(H,14,15)(H2,12,16,17)" . "OC(=N)c1cnccn1" . "OC(=N)c1cnccn1" . "IPEHBUMCGVEMRF-UHFFFAOYSA-N" . "InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)" . "CNC(C(c1ccccc1)O)C" . "CN[C@H]([C@H](c1ccccc1)O)C" . "KWGRBVOPPLSCSI-WCBMZHEXSA-N" . "InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1" . "CNCCCC1c2ccccc2C=Cc2c1cccc2" . "CNCCCC1c2ccccc2C=Cc2c1cccc2" . "BWPIARFWQZKAIA-UHFFFAOYSA-N" . "InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3" . "CCC(=O)c1ccc2c(c1)N(CC(N(C)C)C)c1c(S2)cccc1" . "CCC(=O)c1ccc2c(c1)N(CC(N(C)C)C)c1c(S2)cccc1" . "UVOIBTBFPOZKGP-UHFFFAOYSA-N" . "InChI=1S/C20H24N2OS/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20/h6-12,14H,5,13H2,1-4H3" . "CCCOc1ccc(cc1N)C(=O)OCCN(CC)CC" . "CCCOc1ccc(cc1N)C(=O)OCCN(CC)CC" . "KCLANYCVBBTKTO-UHFFFAOYSA-N" . "InChI=1S/C16H26N2O3/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3" . "CN(C(CN1c2ccccc2Sc2c1cccc2)C)C" . "CN(C(CN1c2ccccc2Sc2c1cccc2)C)C" . "PWWVAXIEGOYWEE-UHFFFAOYSA-N" . "InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3" . "CN(CCCN1c2ccccc2Sc2c1cccc2)C" . "CN(CCCN1c2ccccc2Sc2c1cccc2)C" . "ZGUGWUXLJSTTMA-UHFFFAOYSA-N" . "InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3" . "OC(c1ccccc1)(C1CCCCC1)CCN1CCCC1" . "OC(c1ccccc1)(C1CCCCC1)CCN1CCCC1" . "WYDUSKDSKCASEF-UHFFFAOYSA-N" . "InChI=1S/C19H29NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2" . "CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2" . "CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2" . "WIKYUJGCLQQFNW-UHFFFAOYSA-N" . "InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3" . "CNNCc1ccc(cc1)C(=O)NC(C)C" . "CNNCc1ccc(cc1)C(=O)NC(C)C" . "CPTBDICYNRMXFX-UHFFFAOYSA-N" . "InChI=1S/C12H19N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16)" . "CC(Sc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(Sc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C" . "CC(Sc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(Sc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C" . "FYPMFJGVHOHGLL-UHFFFAOYSA-N" . "InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3" . "CCCNC(C(=Nc1ccccc1C)O)C" . "CCCNC(C(=Nc1ccccc1C)O)C" . "MVFGUOIZUNYYSO-UHFFFAOYSA-N" . "InChI=1S/C13H20N2O/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2/h5-8,11,14H,4,9H2,1-3H3,(H,15,16)" . "Clc1ccc2c(c1)C(=NCC(=O)N2CC1CC1)c1ccccc1" . "Clc1ccc2c(c1)C(=NCC(=O)N2CC1CC1)c1ccccc1" . "MWQCHHACWWAQLJ-UHFFFAOYSA-N" . "InChI=1S/C19H17ClN2O/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)21-11-18(23)22(17)12-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2" . "CN1C(CSCC(F)(F)F)Nc2c(S1(=O)=O)cc(c(c2)Cl)S(=O)(=O)N" . "CN1C(CSCC(F)(F)F)Nc2c(S1(=O)=O)cc(c(c2)Cl)S(=O)(=O)N" . "CYLWJCABXYDINA-UHFFFAOYSA-N" . "InChI=1S/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20)" . "OC(=Nc1ccccn1)C1=C(O)c2ccccc2S(=O)(=O)N1C" . "OC(=Nc1ccccn1)C1=C(O)c2ccccc2S(=O)(=O)N1C" . "QYSPLQLAKJAUJT-UHFFFAOYSA-N" . "InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)" . "OCc1nc(ccc1O)C(CNC(C)(C)C)O" . "OCc1nc(ccc1O)C(CNC(C)(C)C)O" . "VQDBNKDJNJQRDG-UHFFFAOYSA-N" . "InChI=1S/C12H20N2O3/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8/h4-5,11,13,15-17H,6-7H2,1-3H3" . "BrCCC(=O)N1CCN(CC1)C(=O)CCBr" . "BrCCC(=O)N1CCN(CC1)C(=O)CCBr" . "NJBFOOCLYDNZJN-UHFFFAOYSA-N" . "InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2" . "CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1" . "CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1" . "VYMDGNCVAMGZFE-UHFFFAOYSA-N" . "InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3" . "OC(COc1ccccc1C1CCCC1)CNC(C)(C)C" . "O[C@H](COc1ccccc1C1CCCC1)CNC(C)(C)C" . "KQXKVJAGOJTNJS-HNNXBMFYSA-N" . "InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3/t15-/m0/s1" . "CN(Cc1ccccc1)CC#C" . "CN(Cc1ccccc1)CC#C" . "DPWPWRLQFGFJFI-UHFFFAOYSA-N" . "InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3" . "CCC1(C)OC(=O)N(C1=O)C" . "CCC1(C)OC(=O)N(C1=O)C" . "VQASKUSHBVDKGU-UHFFFAOYSA-N" . "InChI=1S/C7H11NO3/c1-4-7(2)5(9)8(3)6(10)11-7/h4H2,1-3H3" . "COc1c(OC)ccnc1CS(=O)c1nc2c([nH]1)cc(cc2)OC(F)F" . "COc1c(OC)ccnc1CS(=O)c1nc2c([nH]1)cc(cc2)OC(F)F" . "IQPSEEYGBUAQFF-UHFFFAOYSA-N" . "InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)" . "NCCC(P(=O)(O)O)(P(=O)(O)O)O" . "NCCC(P(=O)(O)O)(P(=O)(O)O)O" . "WRUUGTRCQOWXEG-UHFFFAOYSA-N" . "InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)" . "Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2O" . "Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2O" . "PMXMIIMHBWHSKN-UHFFFAOYSA-N" . "InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3" . "CC[N+](CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)(CC)C" . "CC[N+](CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)(CC)C" . "GFRUPHOKLBPHTQ-UHFFFAOYSA-N" . "InChI=1S/C21H34NO3/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,19,24H,4-5,7,10-11,14-17H2,1-3H3/q+1" . "CN1CCCN=C1COC(=O)C(c1ccccc1)(C1CCCCC1)O" . "CN1CCCN=C1COC(=O)C(c1ccccc1)(C1CCCCC1)O" . "DUDKAZCAISNGQN-UHFFFAOYSA-N" . "InChI=1S/C20H28N2O3/c1-22-14-8-13-21-18(22)15-25-19(23)20(24,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17,24H,3,6-8,11-15H2,1H3" . "C=CCOc1ccccc1OCC(CNC(C)C)O" . "C=CCOc1ccccc1OCC(CNC(C)C)O" . "CEMAWMOMDPGJMB-UHFFFAOYSA-N" . "InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3" . "O=C1Cc2ccccc2N(c2c1cccc2)C(=N)O" . "O=C1Cc2ccccc2N(c2c1cccc2)C(=N)O" . "CTRLABGOLIVAIY-UHFFFAOYSA-N" . "InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)" . "CC(C(c1cccc(c1)O)O)N" . "C[C@@H]([C@@H](c1cccc(c1)O)O)N" . "WXFIGDLSSYIKKV-RCOVLWMOSA-N" . "InChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3/t6-,9-/m0/s1" . "CN(CCC=C1c2cc(ccc2OCc2c1cccc2)CC(=O)O)C" . "CN(CC/C=C/1/c2cc(ccc2OCc2c1cccc2)CC(=O)O)C" . "JBIMVDZLSHOPLA-LSCVHKIXSA-N" . "InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8-" . "CNC(=CN(=O)=O)NCCSCc1csc(n1)CN(C)C" . "CN/C(=C/N(=O)=O)/NCCSCc1csc(n1)CN(C)C" . "SGXXNSQHWDMGGP-IZZDOVSWSA-N" . "InChI=1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3/b11-6+" . "CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl" . "CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl" . "VRBKIVRKKCLPHA-UHFFFAOYSA-N" . "InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3" . "OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O" . "OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O" . "KOHIRBRYDXPAMZ-UHFFFAOYSA-N" . "InChI=1S/C22H25F2NO4/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2" . "COc1ccc2c(c1)ccc(c2)CCC(=O)C" . "COc1ccc2c(c1)ccc(c2)CCC(=O)C" . "BLXXJMDCKKHMKV-UHFFFAOYSA-N" . "InChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3" . "CCOC(=Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1c(S2)cccc1)O" . "CCOC(=Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1c(S2)cccc1)O" . "FUBVWMNBEHXPSU-UHFFFAOYSA-N" . "InChI=1S/C22H25N3O4S/c1-2-29-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)30-20)21(26)9-10-24-11-13-28-14-12-24/h3-8,15H,2,9-14H2,1H3,(H,23,27)" . "COc1cc2c(cc1OC)CC[N+](C2Cc1cc(OC)c(c(c1)OC)OC)(C)CCCOC(=O)CCC=CCCC(=O)OCCC[N+]1(C)CCc2c(C1Cc1cc(OC)c(c(c1)OC)OC)cc(c(c2)OC)OC" . "COc1cc2c(cc1OC)CC[N+]([C@@H]2Cc1cc(OC)c(c(c1)OC)OC)(C)CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]1(C)CCc2c([C@H]1Cc1cc(OC)c(c(c1)OC)OC)cc(c(c2)OC)OC" . "ILVYCEVXHALBSC-OTBYEXOQSA-N" . "InChI=1S/C58H80N2O14/c1-59(25-21-41-35-47(63-3)49(65-5)37-43(41)45(59)29-39-31-51(67-7)57(71-11)52(32-39)68-8)23-17-27-73-55(61)19-15-13-14-16-20-56(62)74-28-18-24-60(2)26-22-42-36-48(64-4)50(66-6)38-44(42)46(60)30-40-33-53(69-9)58(72-12)54(34-40)70-10/h13-14,31-38,45-46H,15-30H2,1-12H3/q+2/b14-13+/t45-,46-,59?,60?/m1/s1" . "OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO" . "OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO" . "KKZJGLLVHKMTCM-UHFFFAOYSA-N" . "InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2" . "CN1CCN2C(C1)c1ccccc1Cc1c2nccc1" . "CN1CCN2C(C1)c1ccccc1Cc1c2nccc1" . "RONZAEMNMFQXRA-UHFFFAOYSA-N" . "InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3" . "COc1ccc(cc1C(CN=C(CN)O)O)OC" . "COc1ccc(cc1C(CN=C(CN)O)O)OC" . "PTKSEFOSCHHMPD-UHFFFAOYSA-N" . "InChI=1S/C12H18N2O4/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16)" . "CN(CC(CN1c2ccccc2Sc2c1cccc2)C)C" . "CN(CC(CN1c2ccccc2Sc2c1cccc2)C)C" . "ZZHLYYDVIOPZBE-UHFFFAOYSA-N" . "InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3" . "COC(=O)C(c1ccccc1)C1CCCCN1" . "COC(=O)C(c1ccccc1)C1CCCCN1" . "DUGOZIWVEXMGBE-UHFFFAOYSA-N" . "InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3" . "ClCC1Nc2cc(Cl)c(cc2S(=O)(=O)N1C)S(=O)(=O)N" . "ClCC1Nc2cc(Cl)c(cc2S(=O)(=O)N1C)S(=O)(=O)N" . "CESYKOGBSMNBPD-UHFFFAOYSA-N" . "InChI=1S/C9H11Cl2N3O4S2/c1-14-9(4-10)13-6-2-5(11)7(19(12,15)16)3-8(6)20(14,17)18/h2-3,9,13H,4H2,1H3,(H2,12,15,16)" . "COC(C(Cl)Cl)(F)F" . "COC(C(Cl)Cl)(F)F" . "RFKMCNOHBTXSMU-UHFFFAOYSA-N" . "InChI=1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3" . "C=CCC1(C(C#CCC)C)C(=NC(=O)N(C1=O)C)O" . "C=CCC1(C(C#CCC)C)C(=NC(=O)N(C1=O)C)O" . "NZXKDOXHBHYTKP-UHFFFAOYSA-N" . "InChI=1S/C14H18N2O3/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19)" . "CN1CCCC(C1)CC1c2ccccc2Sc2c1cccc2" . "CN1CCCC(C1)CC1c2ccccc2Sc2c1cccc2" . "MJFJKKXQDNNUJF-UHFFFAOYSA-N" . "InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3" . "CN1CCC(C1)CN1c2ccccc2Sc2c1cccc2" . "CN1CCC(C1)CN1c2ccccc2Sc2c1cccc2" . "HTMIBDQKFHUPSX-UHFFFAOYSA-N" . "InChI=1S/C18H20N2S/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3" . "CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C" . "CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C" . "SLVMESMUVMCQIY-UHFFFAOYSA-N" . "InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3" . "Sc1ncnc2c1nc[nH]2" . "Sc1ncnc2c1nc[nH]2" . "GLVAUDGFNGKCSF-UHFFFAOYSA-N" . "InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)" . "CCCC(COC(=N)O)(COC(=N)O)C" . "CCCC(COC(=N)O)(COC(=N)O)C" . "NPPQSCRMBWNHMW-UHFFFAOYSA-N" . "InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)" . "CN1CCCCC1C(=Nc1c(C)cccc1C)O" . "CN1CCCCC1C(=Nc1c(C)cccc1C)O" . "INWLQCZOYSRPNW-UHFFFAOYSA-N" . "InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)" . "CCC1(N=C(N(C1=O)C)O)c1ccccc1" . "CCC1(N=C(N(C1=O)C)O)c1ccccc1" . "GMHKMTDVRCWUDX-UHFFFAOYSA-N" . "InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)14(2)11(16)13-12/h4-8H,3H2,1-2H3,(H,13,16)" . "Cc1cnc(s1)N=C(C1=C(O)c2ccccc2S(=O)(=O)N1C)O" . "Cc1cnc(s1)N=C(C1=C(O)c2ccccc2S(=O)(=O)N1C)O" . "ZRVUJXDFFKFLMG-UHFFFAOYSA-N" . "InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)" . "OC(=O)c1ccccc1Nc1c(Cl)ccc(c1Cl)C" . "OC(=O)c1ccccc1Nc1c(Cl)ccc(c1Cl)C" . "SBDNJUWAMKYJOX-UHFFFAOYSA-N" . "InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)" . "ClCCN(CCCl)C" . "ClCCN(CCCl)C" . "HAWPXGHAZFHHAD-UHFFFAOYSA-N" . "InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3" . "CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1" . "CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1" . "JCCNYMKQOSZNPW-UHFFFAOYSA-N" . "InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3" . "Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1" . "Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1" . "RDOIQAHITMMDAJ-UHFFFAOYSA-N" . "InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3" . "ClCCN(C(=NC1CCCCC1)O)N=O" . "ClCCN(C(=NC1CCCCC1)O)N=O" . "GQYIWUVLTXOXAJ-UHFFFAOYSA-N" . "InChI=1S/C9H16ClN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)" . "NCCCCC(C(=NC(Cc1ccccc1)C)O)N" . "NCCCC[C@@H](C(=N[C@H](Cc1ccccc1)C)O)N" . "VOBHXZCDAVEXEY-JSGCOSHPSA-N" . "InChI=1S/C15H25N3O/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19)/t12-,14-/m0/s1" . "CCC(C(c1ccccc1)(c1ccccc1)CC(N(C)C)C)OC(=O)C" . "CC[C@@H](C(c1ccccc1)(c1ccccc1)C[C@@H](N(C)C)C)OC(=O)C" . "XBMIVRRWGCYBTQ-AVRDEDQJSA-N" . "InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m0/s1" . "CCCCN1CCCCC1C(=Nc1c(C)cccc1C)O" . "CCCCN1CCCC[C@H]1C(=Nc1c(C)cccc1C)O" . "LEBVLXFERQHONN-INIZCTEOSA-N" . "InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1" . "C1CN2C(=NC(C2)c2ccccc2)S1" . "C1CN2C(=N[C@H](C2)c2ccccc2)S1" . "HLFSDGLLUJUHTE-SNVBAGLBSA-N" . "InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m1/s1" . "C=CCN1CCC23C(C1Cc1c3cc(cc1)O)CCCC2" . "C=CCN1CC[C@@]23[C@H]([C@H]1Cc1c3cc(cc1)O)CCCC2" . "OZYUPQUCAUTOBP-QXAKKESOSA-N" . "InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1" . "O=S(c1nc2c([nH]1)cccc2)Cc1nccc(c1C)OCC(F)(F)F" . "O=S(c1nc2c([nH]1)cccc2)Cc1nccc(c1C)OCC(F)(F)F" . "MJIHNNLFOKEZEW-UHFFFAOYSA-N" . "InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)" . "CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O" . "CC(CCc1ccccc1)NCC(c1ccc(c(c1)C(=N)O)O)O" . "SGUAFYQXFOLMHL-UHFFFAOYSA-N" . "InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)" . "CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1" . "CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1" . "ZCVMWBYGMWKGHF-UHFFFAOYSA-N" . "InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3" . "CCC(C(c1ccc(c(c1)O)O)O)NC(C)C" . "CCC(C(c1ccc(c(c1)O)O)O)NC(C)C" . "HUYWAWARQUIQLE-UHFFFAOYSA-N" . "InChI=1S/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3" . "Cc1onc(c1)C(=O)NNCc1ccccc1" . "Cc1onc(c1)C(=O)NNCc1ccccc1" . "XKFPYPQQHFEXRZ-UHFFFAOYSA-N" . "InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)" . "CC1Cc2c(N1NC(=O)c1ccc(c(c1)S(=O)(=O)N)Cl)cccc2" . "CC1Cc2c(N1NC(=O)c1ccc(c(c1)S(=O)(=O)N)Cl)cccc2" . "NDDAHWYSQHTHNT-UHFFFAOYSA-N" . "InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)" . "Oc1ncc(cc1N)c1ccncc1" . "Oc1ncc(cc1N)c1ccncc1" . "RNLQIBCLLYYYFJ-UHFFFAOYSA-N" . "InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)" . "ClCCNP1(=O)OCCCN1CCCl" . "ClCCNP1(=O)OCCCN1CCCl" . "HOMGKSMUEGBAAB-UHFFFAOYSA-N" . "InChI=1S/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12)" . "CCCCCCCN(CCCC(c1ccc(cc1)NS(=O)(=O)C)O)CC" . "CCCCCCCN(CCCC(c1ccc(cc1)NS(=O)(=O)C)O)CC" . "ALOBUEHUHMBRLE-UHFFFAOYSA-N" . "InChI=1S/C20H36N2O3S/c1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25/h12-15,20-21,23H,4-11,16-17H2,1-3H3" . "OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1" . "OCCOCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1" . "ZQDWXGKKHFNSQK-UHFFFAOYSA-N" . "InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2" . "OCCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC" . "OCCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC" . "XXSMGPRMXLTPCZ-UHFFFAOYSA-N" . "InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)" . "FC(c1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N)(F)F" . "FC(c1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N)(F)F" . "DMDGGSIALPNSEE-UHFFFAOYSA-N" . "InChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)" . "CC(OC(=O)c1ccccc1)CNC1CCCCC1" . "CC(OC(=O)c1ccccc1)CNC1CCCCC1" . "DKLKMKYDWHYZTD-UHFFFAOYSA-N" . "InChI=1S/C16H23NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3" . "NC(=N)NCCN1CCCCCCC1" . "NC(=N)NCCN1CCCCCCC1" . "ACGDKVXYNVEAGU-UHFFFAOYSA-N" . "InChI=1S/C10H22N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h1-9H2,(H4,11,12,13)" . "NC(=N)NCC1COC2(O1)CCCCC2" . "NC(=N)NCC1COC2(O1)CCCCC2" . "HPBNRIOWIXYZFK-UHFFFAOYSA-N" . "InChI=1S/C10H19N3O2/c11-9(12)13-6-8-7-14-10(15-8)4-2-1-3-5-10/h8H,1-7H2,(H4,11,12,13)" . "CCC1(CCC(=NC1=O)O)c1ccccc1" . "CCC1(CCC(=NC1=O)O)c1ccccc1" . "JMBQKKAJIKAWKF-UHFFFAOYSA-N" . "InChI=1S/C13H15NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h3-7H,2,8-9H2,1H3,(H,14,15,16)" . "CNC1Cc2c(CC1)[nH]c1c2cc(cc1)C(=N)O" . "CN[C@H]1Cc2c(CC1)[nH]c1c2cc(cc1)C(=N)O" . "XPSQPHWEGNHMSK-SECBINFHSA-N" . "InChI=1S/C14H17N3O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)/t9-/m1/s1" . "O=C1N(COP(=O)(O)O)C(=NC1(c1ccccc1)c1ccccc1)O" . "O=C1N(COP(=O)(O)O)C(=NC1(c1ccccc1)c1ccccc1)O" . "XWLUWCNOOVRFPX-UHFFFAOYSA-N" . "InChI=1S/C16H15N2O6P/c19-14-16(12-7-3-1-4-8-12,13-9-5-2-6-10-13)17-15(20)18(14)11-24-25(21,22)23/h1-10H,11H2,(H,17,20)(H2,21,22,23)" . "NCCO/N=C(/c1ccc(cc1)C(F)(F)F)/CCCCOC" . "NCCO/N=C(/c1ccc(cc1)C(F)(F)F)/CCCCOC" . "CJOFXWAVKWHTFT-XSFVSMFZSA-N" . "InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+" . "O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)OCCN1CCCCC1" . "O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)OCCN1CCCCC1" . "SPIUTQOUKAMGCX-UHFFFAOYSA-N" . "InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3" . "CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C" . "CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C" . "YMTINGFKWWXKFG-UHFFFAOYSA-N" . "InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3" . "CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O" . "CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O" . "NNYBQONXHNTVIJ-UHFFFAOYSA-N" . "InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)" . "CC(P(=O)(O)O)(P(=O)(O)O)O" . "CC(P(=O)(O)O)(P(=O)(O)O)O" . "DBVJJBKOTRCVKF-UHFFFAOYSA-N" . "InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)" . "CCN1C(=O)C(N=C1O)c1ccccc1" . "CCN1C(=O)C(N=C1O)c1ccccc1" . "SZQIFWWUIBRPBZ-UHFFFAOYSA-N" . "InChI=1S/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,15)" . "CC1(CC)CC(=NC1=O)O" . "CC1(CC)CC(=NC1=O)O" . "HAPOVYFOVVWLRS-UHFFFAOYSA-N" . "InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)" . "CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC" . "CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC" . "CDOZDBSBBXSXLB-UHFFFAOYSA-N" . "InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3" . "CCC(C#C)(C=CCl)O" . "CCC(C#C)(/C=C/Cl)O" . "ZEHYJZXQEQOSON-AATRIKPKSA-N" . "InChI=1S/C7H9ClO/c1-3-7(9,4-2)5-6-8/h1,5-6,9H,4H2,2H3/b6-5+" . "Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1" . "Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1" . "JAUOIFJMECXRGI-UHFFFAOYSA-N" . "InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2" . "Clc1ccc2c(c1)C(=NCC(=O)N2CC(F)(F)F)c1ccccc1" . "Clc1ccc2c(c1)C(=NCC(=O)N2CC(F)(F)F)c1ccccc1" . "WYCLKVQLVUQKNZ-UHFFFAOYSA-N" . "InChI=1S/C17H12ClF3N2O/c18-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)22-9-15(24)23(14)10-17(19,20)21/h1-8H,9-10H2" . "N#Cc1ccc2c(c1)COC2(CCCN(C)C)c1ccc(cc1)F" . "N#Cc1ccc2c(c1)CO[C@@]2(CCCN(C)C)c1ccc(cc1)F" . "WSEQXVZVJXJVFP-FQEVSTJZSA-N" . "InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1" . "N=C1NCC2N1c1ccccc1Cc1c2cccc1" . "N=C1NCC2N1c1ccccc1Cc1c2cccc1" . "WHWZLSFABNNENI-UHFFFAOYSA-N" . "InChI=1S/C16H15N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15H,9-10H2,(H2,17,18)" . "FC(OC(C(Cl)F)(F)F)F" . "FC(OC(C(Cl)F)(F)F)F" . "JPGQOUSTVILISH-UHFFFAOYSA-N" . "InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H" . "CCOCCn1c(nc2c1cccc2)N1CCCN(CC1)C" . "CCOCCn1c(nc2c1cccc2)N1CCCN(CC1)C" . "KBUZBQVCBVDWKX-UHFFFAOYSA-N" . "InChI=1S/C17H26N4O/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20/h4-5,7-8H,3,6,9-14H2,1-2H3" . "CCCCOc1ccc(cc1)C(=O)CCN1CCCCC1" . "CCCCOc1ccc(cc1)C(=O)CCN1CCCCC1" . "BZEWSEKUUPWQDQ-UHFFFAOYSA-N" . "InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3" . "Fc1ccc(cc1)C(=O)CCCN1CCC(=CC1)n1c(O)nc2c1cccc2" . "Fc1ccc(cc1)C(=O)CCCN1CCC(=CC1)n1c(O)nc2c1cccc2" . "RMEDXOLNCUSCGS-UHFFFAOYSA-N" . "InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)" . "CN(CCOC(c1ccccn1)(c1ccccc1)C)C" . "CN(CCOC(c1ccccn1)(c1ccccc1)C)C" . "HCFDWZZGGLSKEP-UHFFFAOYSA-N" . "InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3" . "COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2" . "COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2" . "RUZYUOTYCVRMRZ-UHFFFAOYSA-N" . "InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)" . "CCN1CC(C(C1=O)(c1ccccc1)c1ccccc1)CCN1CCOCC1" . "CCN1CC(C(C1=O)(c1ccccc1)c1ccccc1)CCN1CCOCC1" . "XFDJYSQDBULQSI-UHFFFAOYSA-N" . "InChI=1S/C24H30N2O2/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3" . "CCN(C(=S)SSC(=S)N(CC)CC)CC" . "CCN(C(=S)SSC(=S)N(CC)CC)CC" . "AUZONCFQVSMFAP-UHFFFAOYSA-N" . "InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3" . "CC(N(C(C)C)CCC(c1ccccn1)(c1ccccc1)C(=N)O)C" . "CC(N(C(C)C)CCC(c1ccccn1)(c1ccccc1)C(=N)O)C" . "UVTNFZQICZKOEM-UHFFFAOYSA-N" . "InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)" . "CNCC(c1ccc(c(c1)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)O" . "CNCC(c1ccc(c(c1)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)O" . "OCUJLLGVOUDECM-UHFFFAOYSA-N" . "InChI=1S/C19H29NO5/c1-18(2,3)16(22)24-14-9-8-12(13(21)11-20-7)10-15(14)25-17(23)19(4,5)6/h8-10,13,20-21H,11H2,1-7H3" . "CN1CCC(CC1)OC(c1ccccc1)c1ccccc1" . "CN1CCC(CC1)OC(c1ccccc1)c1ccccc1" . "OWQUZNMMYNAXSL-UHFFFAOYSA-N" . "InChI=1S/C19H23NO/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3" . "CCOC(=O)C1(CCN(CC1)CCC(c1ccccc1)(c1ccccc1)C#N)c1ccccc1" . "CCOC(=O)C1(CCN(CC1)CCC(c1ccccc1)(c1ccccc1)C#N)c1ccccc1" . "HYPPXZBJBPSRLK-UHFFFAOYSA-N" . "InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3" . "OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1" . "OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1" . "OGAKLTJNUQRZJU-UHFFFAOYSA-N" . "InChI=1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2" . "Fc1ccc(c(c1)F)c1ccc(c(c1)C(=O)O)O" . "Fc1ccc(c(c1)F)c1ccc(c(c1)C(=O)O)O" . "HUPFGZXOMWLGNK-UHFFFAOYSA-N" . "InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)" . "CCN(C(C(=O)c1ccccc1)C)CC" . "CCN(C(C(=O)c1ccccc1)C)CC" . "XXEPPPIWZFICOJ-UHFFFAOYSA-N" . "InChI=1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3" . "CC=C(C(=CC)c1ccc(cc1)O)c1ccc(cc1)O" . "C/C=C(/C(=C/C)/c1ccc(cc1)O)/c1ccc(cc1)O" . "NFDFQCUYFHCNBW-SCGPFSFSSA-N" . "InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3+,18-4+" . "CCCCOc1nc2ccccc2c(c1)C(=NCCN(CC)CC)O" . "CCCCOc1nc2ccccc2c(c1)C(=NCCN(CC)CC)O" . "PUFQVTATUTYEAL-UHFFFAOYSA-N" . "InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)" . "CN(CC(C1(O)CCCCC1)c1ccc(cc1)O)C" . "CN(CC(C1(O)CCCCC1)c1ccc(cc1)O)C" . "KYYIDSXMWOZKMP-UHFFFAOYSA-N" . "InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3" . "FC(OC(C(F)(F)F)F)F" . "FC(OC(C(F)(F)F)F)F" . "DPYMFVXJLLWWEU-UHFFFAOYSA-N" . "InChI=1S/C3H2F6O/c4-1(3(7,8)9)10-2(5)6/h1-2H" . "Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2" . "Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2" . "RFWZESUMWJKKRN-UHFFFAOYSA-N" . "InChI=1S/C19H27N5/c1-16-6-2-3-7-17(16)23-14-12-22(13-15-23)11-9-19-21-20-18-8-4-5-10-24(18)19/h2-3,6-7H,4-5,8-15H2,1H3" . "ClCCN(P1(=O)NCCCO1)CCCl" . "ClCCN(P1(=O)NCCCO1)CCCl" . "CMSMOCZEIVJLDB-UHFFFAOYSA-N" . "InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)" . "CN(CCOC(=O)C(C1(O)CCCC1)c1ccccc1)C" . "CN(CCOC(=O)C(C1(O)CCCC1)c1ccccc1)C" . "SKYSRIRYMSLOIN-UHFFFAOYSA-N" . "InChI=1S/C17H25NO3/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3" . "CN(CCC=C1c2ccccc2C=Cc2c1cccc2)C" . "CN(CCC=C1c2ccccc2C=Cc2c1cccc2)C" . "JURKNVYFZMSNLP-UHFFFAOYSA-N" . "InChI=1S/C20H21N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14H,7,15H2,1-2H3" . "CN1CCN(CC1)C(c1ccccc1)c1ccccc1" . "CN1CCN(CC1)C(c1ccccc1)c1ccccc1" . "UVKZSORBKUEBAZ-UHFFFAOYSA-N" . "InChI=1S/C18H22N2/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3" . "COC(=O)C(c1ccccc1Cl)N1CCc2c(C1)ccs2" . "COC(=O)[C@H](c1ccccc1Cl)N1CCc2c(C1)ccs2" . "GKTWGGQPFAXNFI-HNNXBMFYSA-N" . "InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1" . "O=C1CCc2c(N1)ccc(c2)OCCCCc1nnnn1C1CCCCC1" . "O=C1CCc2c(N1)ccc(c2)OCCCCc1nnnn1C1CCCCC1" . "RRGUKTPIGVIEKM-UHFFFAOYSA-N" . "InChI=1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26)" . "Clc1ccc(cc1S(=O)(=O)N)C1(O)N=C(c2c1cccc2)O" . "Clc1ccc(cc1S(=O)(=O)N)C1(O)N=C(c2c1cccc2)O" . "JIVPVXMEBJLZRO-UHFFFAOYSA-N" . "InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)" . "COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC" . "COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC" . "BFPSDSIWYFKGBC-UHFFFAOYSA-N" . "InChI=1S/C23H21ClO3/c1-25-19-10-4-16(5-11-19)22(17-6-12-20(26-2)13-7-17)23(24)18-8-14-21(27-3)15-9-18/h4-15H,1-3H3" . "CCN(CCOC(=O)c1ccc(cc1Cl)N)CC" . "CCN(CCOC(=O)c1ccc(cc1Cl)N)CC" . "VDANGULDQQJODZ-UHFFFAOYSA-N" . "InChI=1S/C13H19ClN2O2/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14/h5-6,9H,3-4,7-8,15H2,1-2H3" . "ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl" . "ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl" . "JCKYGMPEJWAADB-UHFFFAOYSA-N" . "InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)" . "OC(COc1cccc2c1CCC(=N2)O)CNC(C)(C)C" . "OC(COc1cccc2c1CCC(=N2)O)CNC(C)(C)C" . "LWAFSWPYPHEXKX-UHFFFAOYSA-N" . "InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)" . "OC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C" . "OC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C" . "PUXBGTOOZJQSKH-UHFFFAOYSA-N" . "InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)" . "OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(=O)CC" . "OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(=O)CC" . "XZSMZRXAEFNJCU-UHFFFAOYSA-N" . "InChI=1S/C24H31N3O2S/c1-2-22(29)19-8-9-24-21(18-19)27(20-6-3-4-7-23(20)30-24)11-5-10-25-12-14-26(15-13-25)16-17-28/h3-4,6-9,18,28H,2,5,10-17H2,1H3" . "CN(CCOC(c1ccccn1)c1ccc(cc1)Cl)C" . "CN(CCOC(c1ccccn1)c1ccc(cc1)Cl)C" . "OJFSXZCBGQGRNV-UHFFFAOYSA-N" . "InChI=1S/C16H19ClN2O/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13/h3-10,16H,11-12H2,1-2H3" . "C=CCC1(CC(C)C)C(=NC(=O)N=C1O)O" . "C=CCC1(CC(C)C)C(=NC(=O)N=C1O)O" . "UZVHFVZFNXBMQJ-UHFFFAOYSA-N" . "InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)" . "CCC(C1(CC)C(=NC(=O)N=C1O)O)C" . "CCC(C1(CC)C(=NC(=O)N=C1O)O)C" . "ZRIHAIZYIMGOAB-UHFFFAOYSA-N" . "InChI=1S/C10H16N2O3/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)" . "CS(=O)(=O)OCCCCOS(=O)(=O)C" . "CS(=O)(=O)OCCCCOS(=O)(=O)C" . "COVZYZSDYWQREU-UHFFFAOYSA-N" . "InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3" . "Clc1cccc(c1)C(=O)C(NC(C)(C)C)C" . "Clc1cccc(c1)C(=O)C(NC(C)(C)C)C" . "SNPPWIUOZRMYNY-UHFFFAOYSA-N" . "InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3" . "Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)Cc1ccc(cc1)C(C)(C)C" . "Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)Cc1ccc(cc1)C(C)(C)C" . "MOYGZHXDRJNJEP-UHFFFAOYSA-N" . "InChI=1S/C28H33ClN2/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24/h4-16,27H,17-21H2,1-3H3" . "OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C" . "OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C" . "VHYCDWMUTMEGQY-UHFFFAOYSA-N" . "InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3" . "OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1" . "OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1" . "YSXKPIUOCJLQIE-UHFFFAOYSA-N" . "InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2" . "NCCc1cc[nH]n1" . "NCCc1cc[nH]n1" . "JXDFEQONERDKSS-UHFFFAOYSA-N" . "InChI=1S/C5H9N3/c6-3-1-5-2-4-7-8-5/h2,4H,1,3,6H2,(H,7,8)" . "Clc1cc2N=C(CSCc3ccccc3)NS(=O)(=O)c2cc1S(=O)(=O)N" . "Clc1cc2N=C(CSCc3ccccc3)NS(=O)(=O)c2cc1S(=O)(=O)N" . "NDTSRXAMMQDVSW-UHFFFAOYSA-N" . "InChI=1S/C15H14ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)(H2,17,20,21)" . "CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC" . "CCN(C(=O)C1CN2CCc3c(C2CC1OC(=O)C)cc(c(c3)OC)OC)CC" . "JSZILQVIPPROJI-UHFFFAOYSA-N" . "InChI=1S/C22H32N2O5/c1-6-23(7-2)22(26)17-13-24-9-8-15-10-20(27-4)21(28-5)11-16(15)18(24)12-19(17)29-14(3)25/h10-11,17-19H,6-9,12-13H2,1-5H3" . "CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC" . "CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC" . "CMHHMUWAYWTMGS-UHFFFAOYSA-N" . "InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3" . "O=S1(=O)NC(Cc2ccccc2)Nc2c1cc(c(c2)C(F)(F)F)S(=O)(=O)N" . "O=S1(=O)NC(Cc2ccccc2)Nc2c1cc(c(c2)C(F)(F)F)S(=O)(=O)N" . "HDWIHXWEUNVBIY-UHFFFAOYSA-N" . "InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23)" . "CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2" . "CN1CCCC(CC1)n1nc(Cc2ccc(cc2)Cl)c2c(c1=O)cccc2" . "MBUVEWMHONZEQD-UHFFFAOYSA-N" . "InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3" . "Cn1cnc(c1Sc1ncnc2c1nc[nH]2)N(=O)=O" . "Cn1cnc(c1Sc1ncnc2c1nc[nH]2)N(=O)=O" . "LMEKQMALGUDUQG-UHFFFAOYSA-N" . "InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)" . "CN1CCC(=C2c3ccccc3CCc3c2nccc3)CC1" . "CN1CCC(=C2c3ccccc3CCc3c2nccc3)CC1" . "SEBMTIQKRHYNIT-UHFFFAOYSA-N" . "InChI=1S/C20H22N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-7,12H,8-11,13-14H2,1H3" . "CNCCC(c1ccccc1)Oc1ccccc1C" . "CNCC[C@H](c1ccccc1)Oc1ccccc1C" . "VHGCDTVCOLNTBX-QGZVFWFLSA-N" . "InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1" . "Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1" . "Nc1cc(Cl)c(c(c1)Cl)NC1=NCCN1" . "IEJXVRYNEISIKR-UHFFFAOYSA-N" . "InChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15)" . "c1ccc(cc1)CN(c1ccccc1)CC1=NCCN1" . "c1ccc(cc1)CN(c1ccccc1)CC1=NCCN1" . "REYFJDPCWQRWAA-UHFFFAOYSA-N" . "InChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)" . "CCOC(=O)C1(CCN(CC1)CCc1ccc(cc1)N)c1ccccc1" . "CCOC(=O)C1(CCN(CC1)CCc1ccc(cc1)N)c1ccccc1" . "LKYQLAWMNBFNJT-UHFFFAOYSA-N" . "InChI=1S/C22H28N2O2/c1-2-26-21(25)22(19-6-4-3-5-7-19)13-16-24(17-14-22)15-12-18-8-10-20(23)11-9-18/h3-11H,2,12-17,23H2,1H3" . "OC1=NC2=Nc3c(CN2C1)c(Cl)c(cc3)Cl" . "OC1=NC2=Nc3c(CN2C1)c(Cl)c(cc3)Cl" . "OTBXOEAOVRKTNQ-UHFFFAOYSA-N" . "InChI=1S/C10H7Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2H,3-4H2,(H,13,14,16)" . "CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C" . "CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C" . "SGRYPYWGNKJSDL-UHFFFAOYSA-N" . "InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)" . "CN(c1nc(nc(n1)N(C)C)N(C)C)C" . "CN(c1nc(nc(n1)N(C)C)N(C)C)C" . "UUVWYPNAQBNQJQ-UHFFFAOYSA-N" . "InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3" . "CN(CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)N1CCCC1)C" . "CN(CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)N1CCCC1)C" . "WKEMJKQOLOHJLZ-UHFFFAOYSA-N" . "InChI=1S/C17H25N3O2S/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3" . "COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C" . "COc1cc2nc([nH]c(=N)c2cc1OC)N(CCCN=C(C1CCCO1)O)C" . "WNMJYKCGWZFFKR-UHFFFAOYSA-N" . "InChI=1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)" . "COCC1(CCN(CC1)CCn1nnn(c1=O)CC)N(c1ccccc1)C(=O)CC" . "COCC1(CCN(CC1)CCn1nnn(c1=O)CC)N(c1ccccc1)C(=O)CC" . "IDBPHNDTYPBSNI-UHFFFAOYSA-N" . "InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3" . "CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O" . "CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O" . "GOEMGAFJFRBGGG-UHFFFAOYSA-N" . 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"CCC(=O)O[C@@]1([C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)C(=O)CCl" . "CBGUOGMQLZIXBE-XGQKBEPLSA-N" . "InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1" . "OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F" . "OCC(=O)[C@@]1(O)[C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F" . "UREBDLICKHMUKA-DVTGEIKXSA-N" . "InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1" . "CC(=O)OCC(=O)C12OC3(OC1CC1C2(C)CC(O)C2(C1CCC1=CC(=O)C=CC21C)F)CCCC3" . "CC(=O)OCC(=O)[C@@]12OC3(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@]2([C@H]1CCC1=CC(=O)C=C[C@]21C)F)CCCC3" . "ILKJAFIWWBXGDU-MOGDOJJUSA-N" . "InChI=1S/C28H35FO7/c1-16(30)34-15-22(33)28-23(35-26(36-28)9-4-5-10-26)13-20-19-7-6-17-12-18(31)8-11-24(17,2)27(19,29)21(32)14-25(20,28)3/h8,11-12,19-21,23,32H,4-7,9-10,13-15H2,1-3H3/t19-,20-,21-,23+,24-,25-,27-,28+/m0/s1" . "OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)Cl" . "OCC(=O)[C@@]1(O)[C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)Cl" . "NBMKJKDGKREAPL-DVTGEIKXSA-N" . "InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1" . "O=C(c1ccccc1)NC1=CC(=O)c2c(C1=O)cccc2" . "O=C(c1ccccc1)NC1=CC(=O)c2c(C1=O)cccc2" . "BIVQBWSIGJFXLF-UHFFFAOYSA-N" . "InChI=1S/C17H11NO3/c19-15-10-14(16(20)13-9-5-4-8-12(13)15)18-17(21)11-6-2-1-3-7-11/h1-10H,(H,18,21)" . "ONC(=O)CCCCCC(C(=O)NC1CCCC1)NC(=O)OC(C)(C)C" . "ONC(=O)CCCCC[C@@H](C(=O)NC1CCCC1)NC(=O)OC(C)(C)C" . "YKINZQJOQFMNPU-AWEZNQCLSA-N" . "InChI=1S/C18H33N3O5/c1-18(2,3)26-17(24)20-14(11-5-4-6-12-15(22)21-25)16(23)19-13-9-7-8-10-13/h13-14,25H,4-12H2,1-3H3,(H,19,23)(H,20,24)(H,21,22)/t14-/m0/s1" . "ONC(=O)c1ccc(cc1)CN1C(Cc2cccs2)C(=O)Nc2c1cccc2" . "ONC(=O)c1ccc(cc1)CN1[C@H](Cc2cccs2)C(=O)Nc2c1cccc2" . "HBEDNENASUYMPO-LJQANCHMSA-N" . "InChI=1S/C21H19N3O3S/c25-20(23-27)15-9-7-14(8-10-15)13-24-18-6-2-1-5-17(18)22-21(26)19(24)12-16-4-3-11-28-16/h1-11,19,27H,12-13H2,(H,22,26)(H,23,25)/t19-/m1/s1" . "O[Al](OS(=O)(=O)OC1C(OC(C(C1OS(=O)(=O)O[Al](O)O)OS(=O)(=O)O[Al](O)O)COS(=O)(=O)O[Al](O)O)OC1(COS(=O)(=O)O[Al](O)O)OC(C(C1OS(=O)(=O)O[Al](O)O)OS(=O)(=O)O[Al](O)O)OS(=O)(=O)O[Al](O)O)O" . "O[Al](OS(=O)(=O)O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1OS(=O)(=O)O[Al](O)O)OS(=O)(=O)O[Al](O)O)COS(=O)(=O)O[Al](O)O)O[C@]1(COS(=O)(=O)O[Al](O)O)O[C@@H]([C@H]([C@@H]1OS(=O)(=O)O[Al](O)O)OS(=O)(=O)O[Al](O)O)OS(=O)(=O)O[Al](O)O)O" . "MNQYNQBOVCBZIQ-JQOFMKNESA-A" . "InChI=1S/C11H20O35S8.8Al.16H2O/c12-47(13,14)36-1-3-4(41-49(18,19)20)5(42-50(21,22)23)6(43-51(24,25)26)9(38-3)39-11(2-37-48(15,16)17)8(45-53(30,31)32)7(44-52(27,28)29)10(40-11)46-54(33,34)35;;;;;;;;;;;;;;;;;;;;;;;;/h3-10H,1-2H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)(H,30,31,32)(H,33,34,35);;;;;;;;;16*1H2/q;8*+3;;;;;;;;;;;;;;;;/p-24/t3-,4-,5+,6-,7+,8+,9+,10-,11-;;;;;;;;;;;;;;;;;;;;;;;;/m1......................../s1" . "CCC1(CCC(=O)NC1=O)c1ccc(cc1)N" . "CCC1(CCC(=O)NC1=O)c1ccc(cc1)N" . "ROBVIMPUHSLWNV-UHFFFAOYSA-N" . "InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)" . "[O-][N+](=O)OC1COC2C1OCC2O[N+](=O)[O-]" . "[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-]" . "MOYKHGMNXAOIAT-JGWLITMVSA-N" . "InChI=1S/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6-/m1/s1" . "N#Cc1ccccc1c1cc(cn(c1=O)c1ccccc1)c1ccccn1" . "N#Cc1ccccc1c1cc(cn(c1=O)c1ccccc1)c1ccccn1" . "PRMWGUBFXWROHD-UHFFFAOYSA-N" . "InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)[C@H](O)C)[C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1[nH]cnc1)N)CC(=O)O)CO)Cc1ccccc1)CO)CC(=O)O)CCC(=O)O)CCSC)CC(=O)N)CC(C)C)CC(=O)O)CC(=O)N)CC(C)C)C)C)CCCNC(=N)N)CC(=O)O)Cc1ccccc1)CC(=O)N)CC(C)C)CCC(=O)N" . "CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)N" . "CILIXQOJUNDIDU-ASQIGDHWSA-N" . "InChI=1S/C164H252N44O55S/c1-21-77(11)126(156(255)187-95(44-46-114(167)214)141(240)206-130(83(17)211)160(259)186-93(42-33-34-49-165)140(239)202-129(80(14)24-4)159(258)208-131(84(18)212)161(260)200-111(163(262)263)66-125(230)231)203-151(250)100(54-76(9)10)189-145(244)103(57-88-67-175-92-41-32-31-40-90(88)92)192-147(246)105(60-116(169)216)199-157(256)127(78(12)22-2)204-152(251)102(56-87-38-29-26-30-39-87)190-149(248)109(64-123(226)227)195-137(236)94(43-35-50-174-164(171)172)183-134(233)82(16)179-133(232)81(15)180-142(241)98(52-74(5)6)188-146(245)104(59-115(168)215)194-150(249)110(65-124(228)229)196-143(242)99(53-75(7)8)198-158(257)128(79(13)23-3)205-162(261)132(85(19)213)207-153(252)106(61-117(170)217)193-139(238)97(48-51-264-20)185-138(237)96(45-47-120(220)221)184-148(247)108(63-122(224)225)197-155(254)113(72-210)201-144(243)101(55-86-36-27-25-28-37-86)191-154(253)112(71-209)182-119(219)70-177-136(235)107(62-121(222)223)181-118(218)69-176-135(234)91(166)58-89-68-173-73-178-89/h25-32,36-41,67-68,73-85,91,93-113,126-132,175,209-213H,21-24,33-35,42-66,69-72,165-166H2,1-20H3,(H2,167,214)(H2,168,215)(H2,169,216)(H2,170,217)(H,173,178)(H,176,234)(H,177,235)(H,179,232)(H,180,241)(H,181,218)(H,182,219)(H,183,233)(H,184,247)(H,185,237)(H,186,259)(H,187,255)(H,188,245)(H,189,244)(H,190,248)(H,191,253)(H,192,246)(H,193,238)(H,194,249)(H,195,236)(H,196,242)(H,197,254)(H,198,257)(H,199,256)(H,200,260)(H,201,243)(H,202,239)(H,203,250)(H,204,251)(H,205,261)(H,206,240)(H,207,252)(H,208,258)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,262,263)(H4,171,172,174)/t77-,78-,79-,80-,81-,82-,83+,84+,85+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,126-,127-,128-,129-,130-,131-,132-/m0/s1" . "CCC1C(O)C2C3CCC(C3(C)C(CC2C2(C1CC(O)CC2)C)O)C(CC(C(=O)O)C)C" . "CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)[C@H](C[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)O)[C@@H](C[C@@H](C(=O)O)C)C" . "NPBCMXATLRCCLF-IRRLEISYSA-N" . "InChI=1S/C27H46O5/c1-6-17-20-12-16(28)9-10-26(20,4)21-13-22(29)27(5)18(14(2)11-15(3)25(31)32)7-8-19(27)23(21)24(17)30/h14-24,28-30H,6-13H2,1-5H3,(H,31,32)/t14-,15+,16-,17-,18-,19+,20+,21+,22+,23+,24-,26+,27-/m1/s1" . "NS(=O)(=O)Cc1noc2c1cccc2" . "NS(=O)(=O)Cc1noc2c1cccc2" . "UBQNRHZMVUUOMG-UHFFFAOYSA-N" . "InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)" . "Clc1c[nH]c2c1cccc2NS(=O)(=O)c1ccc(cc1)S(=O)(=O)N" . "Clc1c[nH]c2c1cccc2NS(=O)(=O)c1ccc(cc1)S(=O)(=O)N" . "SETFNECMODOHTO-UHFFFAOYSA-N" . "InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)" . "COC(=O)C=CC(=O)OC" . "COC(=O)/C=C/C(=O)OC" . "LDCRTTXIJACKKU-ONEGZZNKSA-N" . "InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+" . "C=CCCN1CCC2(CC1)CN(c1c2cc(Cl)cc1)C(=O)c1c(F)cccc1F" . "C=CCCN1CCC2(CC1)CN(c1c2cc(Cl)cc1)C(=O)c1c(F)cccc1F" . "QKPSTNGNDWHYCH-UHFFFAOYSA-N" . "InChI=1S/C23H23ClF2N2O/c1-2-3-11-27-12-9-23(10-13-27)15-28(20-8-7-16(24)14-17(20)23)22(29)21-18(25)5-4-6-19(21)26/h2,4-8,14H,1,3,9-13,15H2" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(=O)O)CCCN=C(N)N)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)CCCCN)Cc1ccccc1)C)CC(=O)O)CCCN=C(N)N)CCCN=C(N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)N)CC(C)C)CS)Cc1ccc(cc1)O)CC(C)C)CC(=O)N)CCCN=C(N)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O" . "SNXBDZJJBKGJKY-CBQXUBDJSA-N" . "InChI=1S/C135H217N45O32S/c1-10-74(8)107(179-125(207)100(70-213)178-121(203)94(63-78-41-45-80(181)46-42-78)161-103(184)68-159-111(193)91(58-71(2)3)172-109(191)82(138)61-76-28-13-11-14-29-76)127(209)176-96(64-79-43-47-81(182)48-44-79)123(205)174-93(60-73(6)7)120(202)175-97(65-102(139)183)124(206)170-88(37-24-54-155-133(146)147)116(198)164-84(32-17-19-49-136)112(194)165-86(35-22-52-153-131(142)143)114(196)163-83(34-21-51-152-130(140)141)110(192)158-69-104(185)162-98(66-105(186)187)128(210)180-57-27-40-101(180)126(208)160-75(9)108(190)171-95(62-77-30-15-12-16-31-77)122(204)168-85(33-18-20-50-137)113(195)166-87(36-23-53-154-132(144)145)115(197)167-89(38-25-55-156-134(148)149)117(199)173-92(59-72(4)5)119(201)169-90(39-26-56-157-135(150)151)118(200)177-99(129(211)212)67-106(188)189/h11-16,28-31,41-48,71-75,82-101,107,181-182,213H,10,17-27,32-40,49-70,136-138H2,1-9H3,(H2,139,183)(H,158,192)(H,159,193)(H,160,208)(H,161,184)(H,162,185)(H,163,196)(H,164,198)(H,165,194)(H,166,195)(H,167,197)(H,168,204)(H,169,201)(H,170,206)(H,171,190)(H,172,191)(H,173,199)(H,174,205)(H,175,202)(H,176,209)(H,177,200)(H,178,203)(H,179,207)(H,186,187)(H,188,189)(H,211,212)(H4,140,141,152)(H4,142,143,153)(H4,144,145,154)(H4,146,147,155)(H4,148,149,156)(H4,150,151,157)/t74-,75-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,107-/m0/s1" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)O)CCCN=C(N)N)Cc1nc[nH]c1)C)C)Cc1ccccc1)CC(C)C)C(C)C)C)CCCN=C(N)N)CO)Cc1c[nH]c2c1cccc2)CCCN=C(N)N)Cc1nc[nH]c1)CS)NC(=O)C(CO)N " . "CSCC[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)O)C(C)C" . "HPWUNEYLOMSFEY-HVUBXCGRSA-N" . "InChI=1S/C94H144N32O21S2/c1-48(2)35-64(81(136)121-68(36-53-19-10-9-11-20-53)90(145)125-32-17-26-71(125)87(142)112-50(5)74(129)110-51(6)75(130)117-66(38-55-41-102-46-108-55)84(139)116-63(25-16-31-106-94(100)101)89(144)126-33-18-27-72(126)91(146)147)120-88(143)73(49(3)4)124-76(131)52(7)111-78(133)60(23-14-29-104-92(96)97)115-85(140)69(44-128)122-82(137)65(37-54-40-107-59-22-13-12-21-57(54)59)118-79(134)61(24-15-30-105-93(98)99)114-83(138)67(39-56-42-103-47-109-56)119-86(141)70(45-148)123-80(135)62(28-34-149-8)113-77(132)58(95)43-127/h9-13,19-22,40-42,46-52,58,60-73,107,127-128,148H,14-18,23-39,43-45,95H2,1-8H3,(H,102,108)(H,103,109)(H,110,129)(H,111,133)(H,112,142)(H,113,132)(H,114,138)(H,115,140)(H,116,139)(H,117,130)(H,118,134)(H,119,141)(H,120,143)(H,121,136)(H,122,137)(H,123,135)(H,124,131)(H,146,147)(H4,96,97,104)(H4,98,99,105)(H4,100,101,106)/t50-,51-,52-,58-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1" . "COc1cc(ccc1S(=O)(=O)N1CC(C(C1)c1cccc(c1)F)CN1CCN(CC1)c1ccccn1)[N+](=O)[O-]" . "COc1cc(ccc1S(=O)(=O)N1CC(C(C1)c1cccc(c1)F)CN1CCN(CC1)c1ccccn1)[N+](=O)[O-]" . "TUSCHIFEASZBBF-UHFFFAOYSA-N" . "InChI=1S/C27H30FN5O5S/c1-38-25-16-23(33(34)35)8-9-26(25)39(36,37)32-18-21(24(19-32)20-5-4-6-22(28)15-20)17-30-11-13-31(14-12-30)27-7-2-3-10-29-27/h2-10,15-16,21,24H,11-14,17-19H2,1H3" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CO)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)CCC(=O)N)C)N " . "CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)O" . "NZCFITBCFLGDFN-JEDGRRCBSA-N" . "InChI=1S/C41H78N16O11/c1-21(2)18-28(56-36(64)27(13-14-31(44)59)52-32(60)23(5)51-33(61)24(43)10-6-7-15-42)37(65)54-25(11-8-16-49-40(45)46)34(62)53-26(12-9-17-50-41(47)48)35(63)55-29(19-22(3)4)38(66)57-30(20-58)39(67)68/h21-30,58H,6-20,42-43H2,1-5H3,(H2,44,59)(H,51,61)(H,52,60)(H,53,62)(H,54,65)(H,55,63)(H,56,64)(H,57,66)(H,67,68)(H4,45,46,49)(H4,47,48,50)/t23-,24-,25-,26-,27-,28-,29-,30-/m0/s1" . "OCCOc1c(C)cc(cc1C)c1nc(=O)c2c([nH]1)cc(cc2OC)OC" . "OCCOc1c(C)cc(cc1C)c1nc(=O)c2c([nH]1)cc(cc2OC)OC" . "NETXMUIMUZJUTB-UHFFFAOYSA-N" . "InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)" . "CCNC(=O)CC1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)ccc(c2)OC" . "CCNC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)ccc(c2)OC" . "AAAQFGUYHFJNHI-SFHVURJKSA-N" . "InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1" . "O=C(Nc1ccc2c(c1)snn2)NCCC1=CCCCC1" . "O=C(Nc1ccc2c(c1)snn2)NCCC1=CCCCC1" . "GGXCUZHEJUJACD-UHFFFAOYSA-N" . "InChI=1S/C15H18N4OS/c20-15(16-9-8-11-4-2-1-3-5-11)17-12-6-7-13-14(10-12)21-19-18-13/h4,6-7,10H,1-3,5,8-9H2,(H2,16,17,20)" . "CNCCN1CCC(CC1)c1cc(C)c2c(c1)[nH]c(n2)c1c(OC)cccc1OC" . "CNCCN1CCC(CC1)c1cc(C)c2c(c1)[nH]c(n2)c1c(OC)cccc1OC" . "PFOQIHIIOLBCEQ-UHFFFAOYSA-N" . "InChI=1S/C24H32N4O2/c1-16-14-18(17-8-11-28(12-9-17)13-10-25-2)15-19-23(16)27-24(26-19)22-20(29-3)6-5-7-21(22)30-4/h5-7,14-15,17,25H,8-13H2,1-4H3,(H,26,27)" . "O=C(C(N)C)NCc1cccc(c1)n1nc(cc1c1nnc(o1)c1cccc2c1scn2)C(F)(F)F" . "O=C([C@@H](N)C)NCc1cccc(c1)n1nc(cc1c1nnc(o1)c1cccc2c1scn2)C(F)(F)F" . "KODBDIFHMBDFOH-LBPRGKRZSA-N" . "InChI=1S/C23H18F3N7O2S/c1-12(27)20(34)28-10-13-4-2-5-14(8-13)33-17(9-18(32-33)23(24,25)26)22-31-30-21(35-22)15-6-3-7-16-19(15)36-11-29-16/h2-9,11-12H,10,27H2,1H3,(H,28,34)/t12-/m0/s1" . "O=C(C(SC1c2ccccc2Oc2c1cccc2)C)NCCNC(=O)C(SC1c2ccccc2Oc2c1cccc2)C" . "O=C(C(SC1c2ccccc2Oc2c1cccc2)C)NCCNC(=O)C(SC1c2ccccc2Oc2c1cccc2)C" . "KBXOGBYQKMAAIA-UHFFFAOYSA-N" . "InChI=1S/C34H32N2O4S2/c1-21(41-31-23-11-3-7-15-27(23)39-28-16-8-4-12-24(28)31)33(37)35-19-20-36-34(38)22(2)42-32-25-13-5-9-17-29(25)40-30-18-10-6-14-26(30)32/h3-18,21-22,31-32H,19-20H2,1-2H3,(H,35,37)(H,36,38)" . "O=C(Nc1ccc2c(c1)cc(cc2O)S(=O)(=O)O)Nc1ccc2c(c1)cc(cc2O)S(=O)(=O)O" . "O=C(Nc1ccc2c(c1)cc(cc2O)S(=O)(=O)O)Nc1ccc2c(c1)cc(cc2O)S(=O)(=O)O" . "PCGISRHGYLRXSR-UHFFFAOYSA-N" . "InChI=1S/C21H16N2O9S2/c24-19-9-15(33(27,28)29)7-11-5-13(1-3-17(11)19)22-21(26)23-14-2-4-18-12(6-14)8-16(10-20(18)25)34(30,31)32/h1-10,24-25H,(H2,22,23,26)(H,27,28,29)(H,30,31,32)" . "OC(=O)CCNc1nc(nc(c1)N1CCc2ccccc2CC1)c1ccccn1" . "OC(=O)CCNc1nc(nc(c1)N1CCc2ccccc2CC1)c1ccccn1" . "AVZCPICCWKMZDT-UHFFFAOYSA-N" . "InChI=1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26)" . "Cc1ccc(cc1)n1sc2c(c1=O)cccc2" . "Cc1ccc(cc1)n1sc2c(c1=O)cccc2" . "KRXMYBAZKJBJAB-UHFFFAOYSA-N" . "InChI=1S/C14H11NOS/c1-10-6-8-11(9-7-10)15-14(16)12-4-2-3-5-13(12)17-15/h2-9H,1H3" . "CN(NC(=O)CCC(=O)O)C" . "CN(NC(=O)CCC(=O)O)C" . "NOQGZXFMHARMLW-UHFFFAOYSA-N" . "InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)" . "O=C(C(NC(=O)c1ccccc1)CCOc1cccc(c1)C1CC1N)NCc1ccccc1" . "O=C([C@H](NC(=O)c1ccccc1)CCOc1cccc(c1)[C@@H]1C[C@H]1N)NCc1ccccc1" . "DTPSXFMGMQOVTG-ISJGIBHGSA-N" . "InChI=1S/C27H29N3O3/c28-24-17-23(24)21-12-7-13-22(16-21)33-15-14-25(30-26(31)20-10-5-2-6-11-20)27(32)29-18-19-8-3-1-4-9-19/h1-13,16,23-25H,14-15,17-18,28H2,(H,29,32)(H,30,31)/t23-,24+,25+/m0/s1" . "NC1CC1c1ccc(cc1)c1cccc(c1)O" . "N[C@H]1C[C@@H]1c1ccc(cc1)c1cccc(c1)O" . "DSOJSZXQRJGBCW-CABCVRRESA-N" . "InChI=1S/C15H15NO/c16-15-9-14(15)11-6-4-10(5-7-11)12-2-1-3-13(17)8-12/h1-8,14-15,17H,9,16H2/t14-,15+/m1/s1" . "OC(CC(C(C(C(C)C)O)C)O)CC=C(C1C(=CC2(C(C1C=C(C(=O)O)C)C(C)C(CC2O)O)C)C)C" . "O[C@H](C[C@H]([C@@H]([C@H](C(C)C)O)C)O)C/C=C(/[C@@H]1C(=C[C@]2([C@@H]([C@H]1/C=C(/C(=O)O)/C)[C@@H](C)[C@@H](C[C@H]2O)O)C)C)/C" . "ZNAYXHSDZPSFLO-UWXUHECCSA-N" . "InChI=1S/C30H50O7/c1-15(2)28(35)20(7)23(32)12-21(31)10-9-16(3)26-18(5)14-30(8)25(34)13-24(33)19(6)27(30)22(26)11-17(4)29(36)37/h9,11,14-15,19-28,31-35H,10,12-13H2,1-8H3,(H,36,37)/b16-9+,17-11+/t19-,20-,21-,22-,23+,24+,25+,26+,27+,28-,30+/m0/s1" . "O=C1COc2c(N1)c(O)ccc2CCNCCN(C(=O)CCNCCc1ccc(c(c1)Cl)Cl)C1CCCCC1" . "O=C1COc2c(N1)c(O)ccc2CCNCCN(C(=O)CCNCCc1ccc(c(c1)Cl)Cl)C1CCCCC1" . "LIBVHXXKHSODII-UHFFFAOYSA-N" . "InChI=1S/C29H38Cl2N4O4/c30-23-8-6-20(18-24(23)31)10-13-32-15-12-27(38)35(22-4-2-1-3-5-22)17-16-33-14-11-21-7-9-25(36)28-29(21)39-19-26(37)34-28/h6-9,18,22,32-33,36H,1-5,10-17,19H2,(H,34,37)" . "O=C(Nc1ccc(cc1)C(C)(C)C)NCCCN(C(C)C)CC1OC(C(C1O)O)n1cc(c2c1ncnc2N)Br" . "O=C(Nc1ccc(cc1)C(C)(C)C)NCCCN(C(C)C)C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(c2c1ncnc2N)Br" . "IQCKJUKAQJINMK-HUBRGWSESA-N" . "InChI=1S/C28H40BrN7O4/c1-16(2)35(12-6-11-31-27(39)34-18-9-7-17(8-10-18)28(3,4)5)14-20-22(37)23(38)26(40-20)36-13-19(29)21-24(30)32-15-33-25(21)36/h7-10,13,15-16,20,22-23,26,37-38H,6,11-12,14H2,1-5H3,(H2,30,32,33)(H2,31,34,39)/t20-,22-,23-,26-/m1/s1" . "CNCC(c1cccc(c1)NS(=O)(=O)C)O" . "CNCC(c1cccc(c1)NS(=O)(=O)C)O" . "ZHOWHMXTJFZXRB-UHFFFAOYSA-N" . "InChI=1S/C10H16N2O3S/c1-11-7-10(13)8-4-3-5-9(6-8)12-16(2,14)15/h3-6,10-13H,7H2,1-2H3" . "OC1C(CN(C2CC(C2)CCc2nc3c([nH]2)ccc(c3)C(C)(C)C)C(C)C)OC(C1O)n1cnc2c1ncnc2N" . "O[C@@H]1[C@@H](CN([C@@H]2C[C@@H](C2)CCc2nc3c([nH]2)ccc(c3)C(C)(C)C)C(C)C)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N" . "LXFOLMYKSYSZQS-LURJZOHASA-N" . "InChI=1S/C30H42N8O3/c1-16(2)37(13-22-25(39)26(40)29(41-22)38-15-34-24-27(31)32-14-33-28(24)38)19-10-17(11-19)6-9-23-35-20-8-7-18(30(3,4)5)12-21(20)36-23/h7-8,12,14-17,19,22,25-26,29,39-40H,6,9-11,13H2,1-5H3,(H,35,36)(H2,31,32,33)/t17-,19+,22-,25-,26-,29-/m1/s1" . "OC(=O)C(CCSCC1OC(C(C1O)O)n1cc(c2c1ncnc2N)Br)N" . "OC(=O)[C@H](CCSC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(c2c1ncnc2N)Br)N" . "DIULHULFPSIBAK-TWBCTODHSA-N" . "InChI=1S/C15H20BrN5O5S/c16-6-3-21(13-9(6)12(18)19-5-20-13)14-11(23)10(22)8(26-14)4-27-2-1-7(17)15(24)25/h3,5,7-8,10-11,14,22-23H,1-2,4,17H2,(H,24,25)(H2,18,19,20)/t7-,8+,10+,11+,14+/m0/s1" . "CC(Cc1ccc(cc1)C(C(=O)O)C)C" . "CC(Cc1ccc(cc1)C(C(=O)O)C)C" . "HEFNNWSXXWATRW-UHFFFAOYSA-N" . "InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)" . "COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCC(CC1)(F)F" . "COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCC(CC1)(F)F" . "RNAMYOYQYRYFQY-UHFFFAOYSA-N" . "InChI=1S/C29H44F2N6O2/c1-21(2)36-14-7-22(8-15-36)32-27-23-19-25(38-3)26(39-18-6-13-35-11-4-5-12-35)20-24(23)33-28(34-27)37-16-9-29(30,31)10-17-37/h19-22H,4-18H2,1-3H3,(H,32,33,34)" . "COC(=O)c1ccc2c(c1)nc(n2CCCc1ccccc1)NC(=O)c1ccccc1" . "COC(=O)c1ccc2c(c1)nc(n2CCCc1ccccc1)NC(=O)c1ccccc1" . "UCGWYCMPZXDHNR-UHFFFAOYSA-N" . "InChI=1S/C25H23N3O3/c1-31-24(30)20-14-15-22-21(17-20)26-25(27-23(29)19-12-6-3-7-13-19)28(22)16-8-11-18-9-4-2-5-10-18/h2-7,9-10,12-15,17H,8,11,16H2,1H3,(H,26,27,29)" . "COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1" . "COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1" . "QOECJCJVIMVJGX-UHFFFAOYSA-N" . "InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33)" . "COc1cc2nc(nc(c2cc1OC)NC1CCN(CC1)Cc1ccccc1)N1CCCN(CC1)C" . "COc1cc2nc(nc(c2cc1OC)NC1CCN(CC1)Cc1ccccc1)N1CCCN(CC1)C" . "OSXFATOLZGZLSK-UHFFFAOYSA-N" . "InChI=1S/C28H38N6O2/c1-32-12-7-13-34(17-16-32)28-30-24-19-26(36-3)25(35-2)18-23(24)27(31-28)29-22-10-14-33(15-11-22)20-21-8-5-4-6-9-21/h4-6,8-9,18-19,22H,7,10-17,20H2,1-3H3,(H,29,30,31)" . "CCC(n1ccc2c1cc(C#N)cc2C(=O)NCc1c(C)cc([nH]c1=O)C)CC" . "CCC(n1ccc2c1cc(C#N)cc2C(=O)NCc1c(C)cc([nH]c1=O)C)CC" . "PFHDWRIVDDIFRP-UHFFFAOYSA-N" . "InChI=1S/C23H26N4O2/c1-5-17(6-2)27-8-7-18-19(10-16(12-24)11-21(18)27)22(28)25-13-20-14(3)9-15(4)26-23(20)29/h7-11,17H,5-6,13H2,1-4H3,(H,25,28)(H,26,29)" . "CCC(n1cc(c2c1cc(cc2C(=O)NCc1c(C)cc([nH]c1=O)C)c1ccc(nc1)N1CCNCC1)C)C" . "CC[C@@H](n1cc(c2c1cc(cc2C(=O)NCc1c(C)cc([nH]c1=O)C)c1ccc(nc1)N1CCNCC1)C)C" . "FKSFKBQGSFSOSM-QFIPXVFZSA-N" . "InChI=1S/C31H38N6O2/c1-6-22(5)37-18-20(3)29-25(30(38)34-17-26-19(2)13-21(4)35-31(26)39)14-24(15-27(29)37)23-7-8-28(33-16-23)36-11-9-32-10-12-36/h7-8,13-16,18,22,32H,6,9-12,17H2,1-5H3,(H,34,38)(H,35,39)/t22-/m0/s1" . "CCN(c1cc(cc(c1C)C(=O)NCc1c(C)cc([nH]c1=O)C)c1ccc(cc1)CN1CCOCC1)C1CCOCC1" . "CCN(c1cc(cc(c1C)C(=O)NCc1c(C)cc([nH]c1=O)C)c1ccc(cc1)CN1CCOCC1)C1CCOCC1" . "NSQSAUGJQHDYNO-UHFFFAOYSA-N" . "InChI=1S/C34H44N4O4/c1-5-38(29-10-14-41-15-11-29)32-20-28(27-8-6-26(7-9-27)22-37-12-16-42-17-13-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40/h6-9,18-20,29H,5,10-17,21-22H2,1-4H3,(H,35,39)(H,36,40)" . "ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1" . "ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1" . "QGZYDVAGYRLSKP-UHFFFAOYSA-N" . "InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)" . "CCCC(C(=O)O)CCC" . "CCCC(C(=O)O)CCC" . "NIJJYAXOARWZEE-UHFFFAOYSA-N" . "InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)" . "O=C(c1ccc(cc1)CNc1nccc(n1)c1cccnc1)Nc1ccccc1N" . "O=C(c1ccc(cc1)CNc1nccc(n1)c1cccnc1)Nc1ccccc1N" . "HRNLUBSXIHFDHP-UHFFFAOYSA-N" . "InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)" . "O=C(OCc1cccnc1)NCc1ccc(cc1)C(=O)Nc1ccccc1N" . "O=C(OCc1cccnc1)NCc1ccc(cc1)C(=O)Nc1ccccc1N" . "INVTYAOGFAGBOE-UHFFFAOYSA-N" . "InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)" . "Cc1ccc(cc1)Oc1ccc2c(c1)C(=O)N(C2=O)C(=O)O" . "Cc1ccc(cc1)Oc1ccc2c(c1)C(=O)N(C2=O)C(=O)O" . "QSPCKQSNISDWOH-UHFFFAOYSA-N" . "InChI=1S/C16H11NO5/c1-9-2-4-10(5-3-9)22-11-6-7-12-13(8-11)15(19)17(14(12)18)16(20)21/h2-8H,1H3,(H,20,21)" . "CC=C1NC(=O)C2CSSCCC=CC(OC(=O)C(NC1=O)C(C)C)CC(=O)NC(C(=O)N2)C(C)C" . "C/C=C/1/NC(=O)[C@H]2CSSCC/C=C/[C@@H](OC(=O)[C@@H](NC1=O)C(C)C)CC(=O)N[C@@H](C(=O)N2)C(C)C" . "OHRURASPPZQGQM-GCCNXGTGSA-N" . "InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20+/m1/s1" . "ONC(=O)C=CC(=CC(C(=O)c1ccc(cc1)N(C)C)C)C" . "ONC(=O)/C=C/C(=C/[C@H](C(=O)c1ccc(cc1)N(C)C)C)/C" . "RTKIYFITIVXBLE-QEQCGCAPSA-N" . "InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1" . "CC1=NN(C(=O)C1=Cc1ccc(o1)c1cc(C)c(cc1[N+](=O)[O-])C)c1ccc(cc1)C(=O)O" . "CC1=NN(C(=O)/C/1=C/c1ccc(o1)c1cc(C)c(cc1[N+](=O)[O-])C)c1ccc(cc1)C(=O)O" . "HEKJYZZSCQBJGB-UNOMPAQXSA-N" . "InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12H,1-3H3,(H,29,30)/b19-12-" . "CC1=CC(=O)c2c(C1=O)cccc2O" . "CC1=CC(=O)c2c(C1=O)cccc2O" . "VCMMXZQDRFWYSE-UHFFFAOYSA-N" . "InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3" . "N#C[B-](c1ccccc1)(c1ccccc1)c1ccccc1" . "N#C[B-](c1ccccc1)(c1ccccc1)c1ccccc1" . "HYJITQQQMJSBOL-UHFFFAOYSA-N" . "InChI=1S/C19H15BN/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H/q-1" . "Oc1cc(O)c2c(c1)OC(C(C2)OC(=O)c1cc(O)c(c(c1)O)O)c1cc(O)c(c(c1)O)O" . "Oc1cc(O)c2c(c1)O[C@@H]([C@@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1cc(O)c(c(c1)O)O" . "WMBWREPUVVBILR-WIYYLYMNSA-N" . "InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1" . "CC(=CCC12C(=O)C(=C(c3ccc(c(c3)O)O)O)C(=O)C(C1=O)(CC(C(=C)C)CC=C(C)C)CC(C2(C)C)CC=C(C)C)C" . "CC(=CC[C@]12C(=O)C(=C(c3ccc(c(c3)O)O)O)C(=O)[C@@](C1=O)(C[C@@H](C(=C)C)CC=C(C)C)C[C@H](C2(C)C)CC=C(C)C)C" . "DTTONLKLWRTCAB-SMDXAGPFSA-N" . "InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,39-41H,7,13,15,18,20-21H2,1-6,8-10H3/t27-,28+,37+,38-/m0/s1" . "COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(c(c2)OC)O)ccc1O" . "COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O" . "VFLDPWHFBUODDF-FCXRPNKRSA-N" . "InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+" . "C=CCC=CCC=CCCCCCCCc1cccc(c1C(=O)O)O" . "C=CC/C=C/C/C=C/CCCCCCCc1cccc(c1C(=O)O)O" . "QUVGEKPNSCFQIR-AOSYACOCSA-N" . "InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4+,8-7+" . "OC(=O)C(NC(=O)c1c(C)cc(cc1C)c1cccc(c1)NC(c1ccc(c(c1)C)Cl)C)C" . "OC(=O)[C@@H](NC(=O)c1c(C)cc(cc1C)c1cccc(c1)N[C@@H](c1ccc(c(c1)C)Cl)C)C" . "KYHUARFFBDLROH-MOPGFXCFSA-N" . "InChI=1S/C27H29ClN2O3/c1-15-11-20(9-10-24(15)28)18(4)29-23-8-6-7-21(14-23)22-12-16(2)25(17(3)13-22)26(31)30-19(5)27(32)33/h6-14,18-19,29H,1-5H3,(H,30,31)(H,32,33)/t18-,19+/m1/s1" . "CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N" . "CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N" . "LRFKWQGGENFBFO-IBGZPJMESA-N" . "InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1" . "CCCCCCCCOCC(COP(=S)(O)O)OCCCCCCCC" . "CCCCCCCCOC[C@@H](COP(=S)(O)O)OCCCCCCCC" . "PLCCQSPJUXGEHV-IBGZPJMESA-N" . "InChI=1S/C19H41O5PS/c1-3-5-7-9-11-13-15-22-17-19(18-24-25(20,21)26)23-16-14-12-10-8-6-4-2/h19H,3-18H2,1-2H3,(H2,20,21,26)/t19-/m0/s1" . "CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)O)O" . "CCCCCCCCCCCCCCCCCCOC[C@@H](COP(=O)(O)O)O" . "HUUYDUFSUADEJQ-NRFANRHFSA-N" . "InChI=1S/C21H45O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-21(22)20-27-28(23,24)25/h21-22H,2-20H2,1H3,(H2,23,24,25)/t21-/m0/s1" . "CC(Nc1ncnc2c1scc2C)CN1CCN(CC1)S(=C)(=C)c1ccc(c(c1)Cl)Cl" . "C[C@H](Nc1ncnc2c1scc2C)CN1CCN(CC1)S(=C)(=C)c1ccc(c(c1)Cl)Cl" . "WBVRCGUUZYPAGR-INIZCTEOSA-N" . "InChI=1S/C22H27Cl2N5S2/c1-15-13-30-21-20(15)25-14-26-22(21)27-16(2)12-28-7-9-29(10-8-28)31(3,4)17-5-6-18(23)19(24)11-17/h5-6,11,13-14,16H,3-4,7-10,12H2,1-2H3,(H,25,26,27)/t16-/m0/s1" . "CCCCCCCCc1cccc(c1)C1CC(C1)(N)COP(=O)(O)O" . "CCCCCCCCc1cccc(c1)C1CC(C1)(N)COP(=O)(O)O" . "LNMFICMTNRORPU-UHFFFAOYSA-N" . "InChI=1S/C19H32NO4P/c1-2-3-4-5-6-7-9-16-10-8-11-17(12-16)18-13-19(20,14-18)15-24-25(21,22)23/h8,10-12,18H,2-7,9,13-15,20H2,1H3,(H2,21,22,23)" . "CCCCCCCCCCCCCCCC(=O)OCC(CC(P(=O)(O[Na])O)Br)O" . "CCCCCCCCCCCCCCCC(=O)OC[C@H](CC(P(=O)(O[Na])O)Br)O" . "XCUPLWPVEJCIBO-HMEPSURWSA-M" . "InChI=1S/C20H40BrO6P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(23)27-17-18(22)16-19(21)28(24,25)26;/h18-19,22H,2-17H2,1H3,(H2,24,25,26);/q;+1/p-1/t18-,19?;/m0./s1" . "OC(=O)Cc1ccc(cc1)c1ccc(cc1)c1onc(c1NC(=O)OC(c1ccccc1)C)C" . "OC(=O)Cc1ccc(cc1)c1ccc(cc1)c1onc(c1NC(=O)O[C@@H](c1ccccc1)C)C" . "LNDDRUPAICPXIN-GOSISDBHSA-N" . "InChI=1S/C27H24N2O5/c1-17-25(28-27(32)33-18(2)20-6-4-3-5-7-20)26(34-29-17)23-14-12-22(13-15-23)21-10-8-19(9-11-21)16-24(30)31/h3-15,18H,16H2,1-2H3,(H,28,32)(H,30,31)/t18-/m1/s1" . "CCCCCCCCCCCCCCCC(=O)OCC(CC(P(=O)(O)O)Br)O" . "CCCCCCCCCCCCCCCC(=O)OC[C@H](C[C@@H](P(=O)(O)O)Br)O" . "HLVKVWDSLLFMSX-RBUKOAKNSA-N" . "InChI=1S/C20H40BrO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(23)27-17-18(22)16-19(21)28(24,25)26/h18-19,22H,2-17H2,1H3,(H2,24,25,26)/t18-,19+/m0/s1" . "CCCCCCCCCCCCCCCC(=O)OCC(CC(P(=O)(O)O)Br)O" . "CCCCCCCCCCCCCCCC(=O)OC[C@H](C[C@H](P(=O)(O)O)Br)O" . "HLVKVWDSLLFMSX-OALUTQOASA-N" . "InChI=1S/C20H40BrO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(23)27-17-18(22)16-19(21)28(24,25)26/h18-19,22H,2-17H2,1H3,(H2,24,25,26)/t18-,19-/m0/s1" . "CC[N+](CC)(CC)CC" . "CC[N+](CC)(CC)CC" . "CBXCPBUEXACCNR-UHFFFAOYSA-N" . "InChI=1S/C8H20N/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3/q+1" . "CCCCCCCCC=CCCCCCCCC(=O)OC1COCCC1OP(=O)(S[Na])O" . "CCCCCCCC/C=C/CCCCCCCC(=O)O[C@@H]1COCC[C@@H]1OP(=O)(S[Na])O" . "DFEVXZSENXLXQQ-LYOQJJATSA-M" . "InChI=1S/C23H43O6PS.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(24)28-22-20-27-19-18-21(22)29-30(25,26)31;/h9-10,21-22H,2-8,11-20H2,1H3,(H2,25,26,31);/q;+1/p-1/b10-9-;/t21-,22+;/m0./s1" . "CCCCCCCCC=CCCCCCCCC(=O)OP(=O)(SC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC" . "CCCCCCCC/C=C/CCCCCCCC(=O)OP(=O)(SC(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)CCCCCCC/C=C/CCCCCCCC" . "VZTWVTAPKVGVJL-IUPFWZBJSA-N" . "InChI=1S/C54H99O6PS/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52(55)59-61(58,60-53(56)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)62-54(57)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30H,4-24,31-51H2,1-3H3/b28-25-,29-26-,30-27-" . "CCCCCCCCC=CCCCCCCCC(=O)NCCOP(=O)(O)O" . "CCCCCCCC/C=C/CCCCCCCC(=O)NCCOP(=O)(O)O" . "BCSUWOZFWWBYSX-MDZDMXLPSA-N" . "InChI=1S/C20H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19-26-27(23,24)25/h9-10H,2-8,11-19H2,1H3,(H,21,22)(H2,23,24,25)/b10-9+" . "NCCOCC1=C(C(=O)OCC)C(C(=C(N1)C)C(=O)OC)c1ccccc1Cl" . "NCCOCC1=C(C(=O)OCC)C(C(=C(N1)C)C(=O)OC)c1ccccc1Cl" . "HTIQEAQVCYTUBX-UHFFFAOYSA-N" . "InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3" . "CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1C(F)(F)F)C(=O)OCCNC(=O)c1ccc(cc1)N=[N+]=[N-])C" . "CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1C(F)(F)F)C(=O)OCCNC(=O)c1ccc(cc1)N=[N+]=[N-])C" . "SWMHKFTXBOJETC-UHFFFAOYSA-N" . "InChI=1S/C27H26F3N5O5/c1-4-39-25(37)21-15(2)33-16(3)22(23(21)19-7-5-6-8-20(19)27(28,29)30)26(38)40-14-13-32-24(36)17-9-11-18(12-10-17)34-35-31/h5-12,23,33H,4,13-14H2,1-3H3,(H,32,36)" . "O=C(C(NC(=O)C(C(C)C)O)C)NC1C(=O)N(C)CCc2c1cccc2" . "O=C([C@@H](NC(=O)[C@H](C(C)C)O)C)N[C@@H]1C(=O)N(C)CCc2c1cccc2" . "PKXWXXPNHIWQHW-RCBQFDQVSA-N" . "InChI=1S/C19H27N3O4/c1-11(2)16(23)18(25)20-12(3)17(24)21-15-14-8-6-5-7-13(14)9-10-22(4)19(15)26/h5-8,11-12,15-16,23H,9-10H2,1-4H3,(H,20,25)(H,21,24)/t12-,15-,16-/m0/s1" . "Fc1cnc(nc1)C(Nc1nc(Nc2ncn(c2)C)c2c(n1)[nH]cc2)C" . "Fc1cnc(nc1)[C@@H](Nc1nc(Nc2ncn(c2)C)c2c(n1)[nH]cc2)C" . "QHXBWJSQXSYAGG-VIFPVBQESA-N" . "InChI=1S/C16H16FN9/c1-9(13-19-5-10(17)6-20-13)22-16-24-14-11(3-4-18-14)15(25-16)23-12-7-26(2)8-21-12/h3-9H,1-2H3,(H3,18,22,23,24,25)/t9-/m0/s1" . "CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C" . "CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C" . "SOYKEARSMXGVTM-UHFFFAOYSA-N" . "InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3" . "O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl" . "O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl" . "BPQMGSKTAYIVFO-UHFFFAOYSA-N" . "InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)" . "O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2(C)O)C)C" . "O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C)C" . "GCKMFJBGXUYNAG-HLXURNFRSA-N" . "InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1" . "N#Cc1ccc(nc1)C(=O)Nc1ccc(c(c1)C1(C)N=C(N)OC(C1)C(F)(F)F)F" . "N#Cc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@@]1(C)N=C(N)O[C@@H](C1)C(F)(F)F)F" . "MELQHVBGGSKVJQ-YJBOKZPZSA-N" . "InChI=1S/C19H15F4N5O2/c1-18(7-15(19(21,22)23)30-17(25)28-18)12-6-11(3-4-13(12)20)27-16(29)14-5-2-10(8-24)9-26-14/h2-6,9,15H,7H2,1H3,(H2,25,28)(H,27,29)/t15-,18-/m0/s1" . "O=C(C(C)C)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]" . "O=C(C(C)C)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]" . "MKXKFYHWDHIYRV-UHFFFAOYSA-N" . "InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)" . "Cc1ccc(cc1)C(=O)c1cc(O)c(c(c1)[N+](=O)[O-])O" . "Cc1ccc(cc1)C(=O)c1cc(O)c(c(c1)[N+](=O)[O-])O" . "MIQPIUSUKVNLNT-UHFFFAOYSA-N" . "InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N)C(O)C)CO)C(O)C)CC(=O)N)C(O)C)CCCN=C(N)N)Cc1ccc(cc1)O)C(O)C)CCC(=O)N)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CS)N)CO)CC(=O)N)CC(C)C)CO)CS)CC(C)C)CCCCN)CC(C)C)CO)CCC(=O)N)CCC(=O)O)CC(C)C)Cc1c[nH]cn1" . "CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O" . "AZCMZZXDDMAXIT-VJVYQDLKSA-N" . "InChI=1S/C145H242N44O48S2/c1-65(2)45-86(175-139(232)110(70(11)12)183-136(229)99(63-239)181-142(235)114(74(16)197)187-135(228)98(61-193)180-129(222)90(49-69(9)10)172-131(224)92(52-104(151)202)174-134(227)96(59-191)178-117(210)79(148)62-238)118(211)158-55-106(204)162-80(25-18-20-40-146)120(213)169-89(48-68(7)8)128(221)179-97(60-192)133(226)167-83(34-37-102(149)200)122(215)165-85(36-39-109(207)208)123(216)171-88(47-67(5)6)127(220)173-91(51-77-54-156-64-161-77)130(223)164-81(26-19-21-41-147)121(214)170-87(46-66(3)4)126(219)166-84(35-38-103(150)201)125(218)186-113(73(15)196)141(234)177-94(50-76-30-32-78(199)33-31-76)143(236)189-44-24-29-101(189)137(230)168-82(27-22-42-157-145(154)155)124(217)185-112(72(14)195)140(233)176-93(53-105(152)203)132(225)184-111(71(13)194)138(231)160-56-107(205)163-95(58-190)119(212)159-57-108(206)182-115(75(17)198)144(237)188-43-23-28-100(188)116(153)209/h30-33,54,64-75,79-101,110-115,190-199,238-239H,18-29,34-53,55-63,146-148H2,1-17H3,(H2,149,200)(H2,150,201)(H2,151,202)(H2,152,203)(H2,153,209)(H,156,161)(H,158,211)(H,159,212)(H,160,231)(H,162,204)(H,163,205)(H,164,223)(H,165,215)(H,166,219)(H,167,226)(H,168,230)(H,169,213)(H,170,214)(H,171,216)(H,172,224)(H,173,220)(H,174,227)(H,175,232)(H,176,233)(H,177,234)(H,178,210)(H,179,221)(H,180,222)(H,181,235)(H,182,206)(H,183,229)(H,184,225)(H,185,217)(H,186,218)(H,187,228)(H,207,208)(H4,154,155,157)/t71-,72-,73-,74-,75-,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,110+,111+,112+,113+,114+,115+/m1/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(CC)C)C(=O)O)C(CC)C)CCC(=O)O)CCSC)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(CO)N)CCC(=O)O)CCC(=O)O)CO)CC(C)C)CC(=O)O)CC(C)C)Cc1ccccc1)Cc1nc[nH]c1)CC(C)C)CC(C)C)CCCN=C(N)N)CCC(=O)O)CC(C)C)CCC(=O)O)CCSC)C)CCCN=C(N)N)C)CCC(=O)O)CCC(=O)N)CC(C)C)C)CCC(=O)N)CCC(=O)N)C)Cc1nc[nH]c1)CO)CC(=O)N)CCCN=C(N)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)[C@H](CC)C)CCC(=O)O)CCSC)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CCC(=O)O)CCC(=O)O)CO)CC(C)C)CC(=O)O)CC(C)C)Cc1ccccc1)Cc1nc[nH]c1)CC(C)C)CC(C)C)CCCN=C(N)N)CCC(=O)O)CC(C)C)CCC(=O)O)CCSC)C)CCCN=C(N)N)C)CCC(=O)O)CCC(=O)N)CC(C)C)C)CCC(=O)N)CCC(=O)N)C)Cc1nc[nH]c1)CO)CC(=O)N)CCCN=C(N)N" . "PNMZQWKBJIQQJL-FAUHKOHMSA-N" . "InChI=1S/C208H343N59O64S2/c1-30-106(20)161(263-198(323)147-49-41-75-266(147)204(329)148-50-42-76-267(148)203(328)132(59-68-158(286)287)246-179(304)126(55-64-154(278)279)235-169(294)117(210)93-268)200(325)260-146(95-270)197(322)253-137(83-102(12)13)189(314)256-144(90-159(288)289)194(319)252-139(85-104(16)17)195(320)265-164(113(27)271)202(327)258-140(86-114-43-34-33-35-44-114)190(315)254-142(88-116-92-222-97-227-116)191(316)251-136(82-101(10)11)188(313)250-135(81-100(8)9)185(310)237-121(48-40-74-225-208(219)220)174(299)241-128(57-66-156(282)283)182(307)261-160(105(18)19)199(324)257-138(84-103(14)15)187(312)243-127(56-65-155(280)281)178(303)244-130(69-77-332-28)172(297)230-109(23)165(290)232-119(46-38-72-223-206(215)216)170(295)228-110(24)166(291)234-125(54-63-153(276)277)177(302)240-124(53-62-151(213)274)180(305)248-133(79-98(4)5)184(309)231-111(25)167(292)233-123(52-61-150(212)273)176(301)239-122(51-60-149(211)272)171(296)229-112(26)168(293)247-141(87-115-91-221-96-226-115)192(317)259-145(94-269)196(321)255-143(89-152(214)275)193(318)238-120(47-39-73-224-207(217)218)173(298)236-118(45-36-37-71-209)175(300)249-134(80-99(6)7)186(311)245-131(70-78-333-29)181(306)242-129(58-67-157(284)285)183(308)262-162(107(21)31-2)201(326)264-163(205(330)331)108(22)32-3/h33-35,43-44,91-92,96-113,117-148,160-164,268-271H,30-32,36-42,45-90,93-95,209-210H2,1-29H3,(H2,211,272)(H2,212,273)(H2,213,274)(H2,214,275)(H,221,226)(H,222,227)(H,228,295)(H,229,296)(H,230,297)(H,231,309)(H,232,290)(H,233,292)(H,234,291)(H,235,294)(H,236,298)(H,237,310)(H,238,318)(H,239,301)(H,240,302)(H,241,299)(H,242,306)(H,243,312)(H,244,303)(H,245,311)(H,246,304)(H,247,293)(H,248,305)(H,249,300)(H,250,313)(H,251,316)(H,252,319)(H,253,322)(H,254,315)(H,255,321)(H,256,314)(H,257,324)(H,258,327)(H,259,317)(H,260,325)(H,261,307)(H,262,308)(H,263,323)(H,264,326)(H,265,320)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,330,331)(H4,215,216,223)(H4,217,218,224)(H4,219,220,225)/t106-,107-,108-,109-,110-,111-,112-,113+,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,160-,161-,162-,163-,164-/m0/s1" . "CCOC(=O)c1ccc(nc1)C#Cc1ccc2c(c1)C(C)(C)CCS2" . "CCOC(=O)c1ccc(nc1)C#Cc1ccc2c(c1)C(C)(C)CCS2" . "OGQICQVSFDPSEI-UHFFFAOYSA-N" . "InChI=1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3" . "NCCc1ccc(cc1)Oc1ccc(c(c1)I)O" . "NCCc1ccc(cc1)Oc1ccc(c(c1)I)O" . "HCYGDNGLWSZCCA-UHFFFAOYSA-N" . "InChI=1S/C14H14INO2/c15-13-9-12(5-6-14(13)17)18-11-3-1-10(2-4-11)7-8-16/h1-6,9,17H,7-8,16H2" . "OC(=O)C(Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O)N" . "OC(=O)[C@@H](Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O)N" . "XUIIKFGFIJCVMT-GFCCVEGCSA-N" . "InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m1/s1" . "NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1ccc(cc1)O)C(C)C)CCCCN)C(C)C)CCCNC(=N)N)CCCNC(=N)N)CCCCN)CCCCN)C(C)C)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(CO)N)Cc1ccc(cc1)O)CO)CCSC)CCC(=O)O)Cc1c[nH]cn1)Cc1ccccc1)CCCNC(=N)N" . "NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1ccc(cc1)O)C(C)C)CCCCN)C(C)C)CCCNC(=N)N)CCCNC(=N)N)CCCCN)CCCCN)C(C)C)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(CO)N)Cc1ccc(cc1)O)CO)CCSC)CCC(=O)O)Cc1c[nH]cn1)Cc1ccccc1)CCCNC(=N)N" . "ZOEFCCMDUURGSE-CQVUSSRSSA-N" . "InChI=1S/C136H210N40O31S/c1-75(2)109(127(200)154-71-106(181)156-88(31-13-17-52-137)114(187)158-89(32-14-18-53-138)115(188)159-91(35-21-56-149-134(142)143)116(189)164-96(37-23-58-151-136(146)147)131(204)175-60-25-39-104(175)126(199)173-111(77(5)6)128(201)163-90(33-15-19-54-139)120(193)171-110(76(3)4)129(202)169-101(65-80-43-47-84(180)48-44-80)132(205)176-61-26-40-105(176)133(206)207)172-125(198)103-38-24-59-174(103)130(203)95(34-16-20-55-140)157-107(182)70-153-113(186)99(66-81-68-152-87-30-12-11-29-85(81)87)167-117(190)92(36-22-57-150-135(144)145)160-121(194)98(63-78-27-9-8-10-28-78)166-123(196)100(67-82-69-148-74-155-82)168-118(191)93(49-50-108(183)184)161-119(192)94(51-62-208-7)162-124(197)102(73-178)170-122(195)97(165-112(185)86(141)72-177)64-79-41-45-83(179)46-42-79/h8-12,27-30,41-48,68-69,74-77,86,88-105,109-111,152,177-180H,13-26,31-40,49-67,70-73,137-141H2,1-7H3,(H,148,155)(H,153,186)(H,154,200)(H,156,181)(H,157,182)(H,158,187)(H,159,188)(H,160,194)(H,161,192)(H,162,197)(H,163,201)(H,164,189)(H,165,185)(H,166,196)(H,167,190)(H,168,191)(H,169,202)(H,170,195)(H,171,193)(H,172,198)(H,173,199)(H,183,184)(H,206,207)(H4,142,143,149)(H4,144,145,150)(H4,146,147,151)/t86?,88-,89-,90+,91-,92+,93+,94+,95+,96-,97+,98+,99+,100+,101+,102+,103+,104+,105+,109+,110+,111+/m1/s1" . "FC(Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl)F" . "FC(Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl)F" . "MNDBXUUTURYVHR-UHFFFAOYSA-N" . "InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)" . "OC(=O)c1cccc(c1)c1cccc(c1O)NN=C1C(=NN(C1=O)c1ccc(c(c1)C)C)C" . "OC(=O)c1cccc(c1)c1cccc(c1O)N/N=C/1/C(=NN(C1=O)c1ccc(c(c1)C)C)C" . "XDXWLKQMMKQXPV-QYQHSDTDSA-N" . "InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,26,30H,1-3H3,(H,32,33)/b27-22-" . "COc1ccc(cc1)C1C(=O)c2c(C1=O)cccc2" . "COc1ccc(cc1)C1C(=O)c2c(C1=O)cccc2" . "XRCFXMGQEVUZFC-UHFFFAOYSA-N" . "InChI=1S/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3" . "C#CC1(O)CCC2C1(C)CCC1C2CCC2=Cc3c(CC12C)cno3" . "C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=Cc3c(C[C@]12C)cno3" . "POZRVZJJTULAOH-LHZXLZLDSA-N" . "InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1" . "CN(CCC1CCc2c(C1)ccc(c2)OCc1ccc(cc1)c1ccccc1)C" . "CN(CC[C@@H]1CCc2c(C1)ccc(c2)OCc1ccc(cc1)c1ccccc1)C" . "SETMAZMOXYOEJA-NRFANRHFSA-N" . "InChI=1S/C27H31NO/c1-28(2)17-16-21-8-13-26-19-27(15-14-25(26)18-21)29-20-22-9-11-24(12-10-22)23-6-4-3-5-7-23/h3-7,9-12,14-15,19,21H,8,13,16-18,20H2,1-2H3/t21-/m0/s1" . "Cc1nc(C)c2c(n1)N(Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)C(=O)CC2" . "Cc1nc(C)c2c(n1)N(Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)C(=O)CC2" . "ADXGNEYLLLSOAR-UHFFFAOYSA-N" . "InChI=1S/C23H21N7O/c1-14-18-11-12-21(31)30(23(18)25-15(2)24-14)13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)22-26-28-29-27-22/h3-10H,11-13H2,1-2H3,(H,26,27,28,29)" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)CCCNC(=N)N)C)CCCNC(=N)N)C)CCCNC(=N)N)CCC(=O)O)CCC(=O)N)CC(=O)N)CO)CCC(=O)O)CCC(=O)N)CCC(=O)N)CCCNC(=N)N)CO)CCSC)[C@H](CC)C)CC(=O)O)CCC(=O)N)CC(C)C)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)C/C=C/CC)C)CC(=O)O)C)Cc1ccccc1)CC(=O)N)CO)Cc1ccc(cc1)O)CCCNC(=N)N)CCCCN)CC(C)C)CCC(=O)N)CC(C)C)CO)C)CCCNC(=N)N" . "CC/C=C/CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N" . "QBEPNUQJQWDYKU-BMGKTWPMSA-N" . "InChI=1S/C221H366N72O67S/c1-25-28-30-53-163(308)260-145(92-120-54-58-122(299)59-55-120)198(343)255-116(21)179(324)276-150(96-169(316)317)199(344)256-117(22)180(325)291-172(111(16)26-2)214(359)284-147(91-119-43-31-29-32-44-119)206(351)293-174(118(23)298)215(360)285-149(95-162(230)307)205(350)289-155(104-297)210(355)280-146(93-121-56-60-123(300)61-57-121)203(348)267-130(51-41-83-248-220(240)241)186(331)266-126(46-34-36-78-223)197(342)290-171(110(14)15)212(357)283-141(87-106(6)7)183(328)252-100-166(311)258-133(63-70-157(225)302)190(335)278-144(90-109(12)13)202(347)288-152(101-294)208(353)257-115(20)178(323)262-128(49-39-81-246-218(236)237)185(330)265-125(45-33-35-77-222)189(334)277-143(89-108(10)11)201(346)279-142(88-107(8)9)200(345)272-137(66-73-160(228)305)195(340)282-151(97-170(318)319)207(352)292-173(112(17)27-3)213(358)274-139(76-85-361-24)196(341)287-153(102-295)209(354)268-131(52-42-84-249-221(242)243)187(332)270-135(64-71-158(226)303)192(337)269-132(62-69-156(224)301)182(327)251-99-165(310)259-134(67-74-167(312)313)191(336)286-154(103-296)211(356)281-148(94-161(229)306)204(349)273-136(65-72-159(227)304)193(338)271-138(68-75-168(314)315)194(339)264-124(47-37-79-244-216(232)233)181(326)250-98-164(309)253-113(18)176(321)261-127(48-38-80-245-217(234)235)184(329)254-114(19)177(322)263-129(50-40-82-247-219(238)239)188(333)275-140(175(231)320)86-105(4)5/h28-32,43-44,54-61,105-118,124-155,171-174,294-300H,25-27,33-42,45-53,62-104,222-223H2,1-24H3,(H2,224,301)(H2,225,302)(H2,226,303)(H2,227,304)(H2,228,305)(H2,229,306)(H2,230,307)(H2,231,320)(H,250,326)(H,251,327)(H,252,328)(H,253,309)(H,254,329)(H,255,343)(H,256,344)(H,257,353)(H,258,311)(H,259,310)(H,260,308)(H,261,321)(H,262,323)(H,263,322)(H,264,339)(H,265,330)(H,266,331)(H,267,348)(H,268,354)(H,269,337)(H,270,332)(H,271,338)(H,272,345)(H,273,349)(H,274,358)(H,275,333)(H,276,324)(H,277,334)(H,278,335)(H,279,346)(H,280,355)(H,281,356)(H,282,340)(H,283,357)(H,284,359)(H,285,360)(H,286,336)(H,287,341)(H,288,347)(H,289,350)(H,290,342)(H,291,325)(H,292,352)(H,293,351)(H,312,313)(H,314,315)(H,316,317)(H,318,319)(H4,232,233,244)(H4,234,235,245)(H4,236,237,246)(H4,238,239,247)(H4,240,241,248)(H4,242,243,249)/b30-28+/t111-,112-,113-,114-,115-,116-,117-,118+,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,171-,172-,173-,174-/m0/s1" . "ClC(C(c1ccccc1Cl)c1ccc(cc1)Cl)Cl" . "ClC(C(c1ccccc1Cl)c1ccc(cc1)Cl)Cl" . "JWBOIMRXGHLCPP-UHFFFAOYSA-N" . "InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H" . "Oc1ccc(cc1)CC(C(=O)O)(N)C" . "Oc1ccc(cc1)C[C@@](C(=O)O)(N)C" . "NHTGHBARYWONDQ-JTQLQIEISA-N" . "InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m0/s1" . "NCCCC[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC3=O)CCC(=O)O)CCC(=O)O)Cc3ccccc3)[C@H](CC)C)Cc3ccc(cc3)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CCC(=O)O)CCC(=O)O)CC(C)C)CO)CCC(=O)O)Cc2ccccc2)CCCNC(=N)N)CC(=O)N)CCC(=O)N)CC(=O)N)NC(=O)[C@H]2N(C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CCSC)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)CCCNC(=N)N)[C@@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)N)C)CCSC)Cc1cnc[nH]1)CO)Cc1ccccc1)C)Cc1ccccc1)CCCCN)C)CC(=O)O)CC(=O)O)CCC2)CCCNC(=N)N)C)C)Cc1c[nH]c2c1cccc2)[C@H](CC)C)[C@@H](O)C" . "CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N4CCC[C@H]4C(=O)N3)CC(=O)O)CC(=O)O)C)CCCCN)Cc3ccccc3)C)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)N)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O)CCSC)CCCCN)CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC2=O)CCC(=O)O)CC(=O)N)CCC(=O)N)CC(=O)N)CCCNC(=N)N)Cc2ccccc2)CCC(=O)O)CO)CC(C)C)CCC(=O)O)CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)Cc1ccccc1)CCC(=O)O)CCC(=O)O)CCC(=O)N)CCCNC(=N)N)[C@H](C)O)Cc1ccccc1)[C@@H](C)CC)CC(=O)N)Cc1ccccc1)Cc1ccccc1)Cc1c[nH]c2ccccc12)CCCNC(=N)N)Cc1cnc[nH]1)C)C)CCCNC(=N)N)Cc1ccc(cc1)O" . "VBGWSQKGUZHFPS-VGMMZINCSA-N" . "COc1ccc2c(c1)C13CCCCC3C(C2)N(CC1)C" . "COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C" . "MKXZASYAUGDDCJ-NJAFHUGGSA-N" . "InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1" . "NCCc1ccccc1" . "NCCc1ccccc1" . "BHHGXPLMPWCGHP-UHFFFAOYSA-N" . "InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2" . "N#Cc1cc(F)cc(c1)n1nnc(n1)c1[nH]cc(n1)C" . "N#Cc1cc(F)cc(c1)n1nnc(n1)c1[nH]cc(n1)C" . "BKGULEDZLIMLMY-UHFFFAOYSA-N" . "InChI=1S/C12H8FN7/c1-7-6-15-11(16-7)12-17-19-20(18-12)10-3-8(5-14)2-9(13)4-10/h2-4,6H,1H3,(H,15,16)" . "COC(C(=O)NC(C(CNC1CC2(CCC2)Oc2c1cc(cn2)CC(C)(C)C)O)Cc1cccc(c1)c1nccs1)C" . "CO[C@@H](C(=O)N[C@H]([C@@H](CN[C@H]1CC2(CCC2)Oc2c1cc(cn2)CC(C)(C)C)O)Cc1cccc(c1)c1nccs1)C" . "IUSARDYWEPUTPN-OZBXUNDUSA-N" . "InChI=1S/C33H44N4O4S/c1-21(40-5)29(39)37-26(16-22-8-6-9-24(14-22)31-34-12-13-42-31)28(38)20-35-27-18-33(10-7-11-33)41-30-25(27)15-23(19-36-30)17-32(2,3)4/h6,8-9,12-15,19,21,26-28,35,38H,7,10-11,16-18,20H2,1-5H3,(H,37,39)/t21-,26+,27+,28-/m1/s1" . "O=C1CCC2C(=C1)CCC1C2CCC2(C1CCC2O)C" . "O=C1CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C" . "NPAGDVCDWIYMMC-IZPLOLCNSA-N" . "InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1" . "CCC1(O)CCC2C1(C)CCC1C2CCC2=CCCCC12" . "CC[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CCCC[C@H]12" . "AOXRBFRFYPMWLR-XGXHKTLJSA-N" . "InChI=1S/C20H32O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h6,15-18,21H,3-5,7-13H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1" . "CCC(=O)OC1CCC2C1(C)CCC1C2CCC2C1(C)CC(C)C(=O)C2" . "CCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C[C@@H](C)C(=O)C2" . "NOTIQUSPUUHHEH-UXOVVSIBSA-N" . "InChI=1S/C23H36O3/c1-5-21(25)26-20-9-8-17-16-7-6-15-12-19(24)14(2)13-23(15,4)18(16)10-11-22(17,20)3/h14-18,20H,5-13H2,1-4H3/t14-,15+,16+,17+,18+,20+,22+,23+/m1/s1" . "COCC(C(F)(F)F)Oc1cc(CC2CS(=O)CC(C2O)NCc2cccc(c2)C(C)(C)C)cc(c1N)F" . "COC[C@H](C(F)(F)F)Oc1cc(C[C@@H]2C[S@@](=O)C[C@@H]([C@H]2O)NCc2cccc(c2)C(C)(C)C)cc(c1N)F" . "FIUDDEQHPBHZBI-XPLIUGCLSA-N" . "InChI=1S/C27H36F4N2O4S/c1-26(2,3)19-7-5-6-16(9-19)12-33-21-15-38(35)14-18(25(21)34)8-17-10-20(28)24(32)22(11-17)37-23(13-36-4)27(29,30)31/h5-7,9-11,18,21,23,25,33-34H,8,12-15,32H2,1-4H3/t18-,21+,23-,25+,38-/m1/s1" . "COc1cc(ccc1O)C(C(=O)O)O" . "COc1cc(ccc1O)C(C(=O)O)O" . "CGQCWMIAEPEHNQ-UHFFFAOYSA-N" . "InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)" . "CC#Cc1cncc(c1)c1cccc(c1)C1(N=C(c2c1cccc2F)N)c1cc(C)c(=O)n(c1)CC" . "CC#Cc1cncc(c1)c1cccc(c1)[C@]1(N=C(c2c1cccc2F)N)c1cc(C)c(=O)n(c1)CC" . "TUGLMYZSOPKJOA-PMERELPUSA-N" . "InChI=1S/C30H25FN4O/c1-4-8-20-14-22(17-33-16-20)21-9-6-10-23(15-21)30(24-13-19(3)29(36)35(5-2)18-24)25-11-7-12-26(31)27(25)28(32)34-30/h6-7,9-18H,5H2,1-3H3,(H2,32,34)/t30-/m0/s1" . "CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1" . "CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1" . "TYTGOXSAAQWLPJ-UHFFFAOYSA-N" . "InChI=1S/C19H24ClN5O3S/c1-10-13-15(21)16(17(27)22-11-3-4-11)29-19(13)23-18(14(10)20)28-9-12(26)25-7-5-24(2)6-8-25/h11H,3-9,21H2,1-2H3,(H,22,27)" . "C[N+](CC#CCOC1=NOCC1)(C)C" . "C[N+](CC#CCOC1=NOCC1)(C)C" . "WXXOCGISBCTWPW-UHFFFAOYSA-N" . "InChI=1S/C10H17N2O2/c1-12(2,3)7-4-5-8-13-10-6-9-14-11-10/h6-9H2,1-3H3/q+1" . "NC1=NC(CCS1)(C)c1cc(c2cncnc2)c(cc1F)F" . "NC1=N[C@](CCS1)(C)c1cc(c2cncnc2)c(cc1F)F" . "MJQMRGWYPNIERM-HNNXBMFYSA-N" . "InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1" . "FC(c1nccc(c1)C1(NC(c2c1cccc2F)N)c1cccc(c1)c1cncnc1)F" . "FC(c1nccc(c1)[C@@]1(NC(c2c1cccc2F)N)c1cccc(c1)c1cncnc1)F" . "QXKYWSDUVAJHNZ-CGAIIQECSA-N" . "InChI=1S/C24H18F3N5/c25-19-6-2-5-18-21(19)23(28)32-24(18,17-7-8-31-20(10-17)22(26)27)16-4-1-3-14(9-16)15-11-29-13-30-12-15/h1-13,22-23,32H,28H2/t23?,24-/m0/s1" . "CN1CC2C(C1)N(CC2)c1ccc(cc1)c1ccc(cc1)n1ncccc1=O" . "CN1C[C@@H]2[C@H](C1)N(CC2)c1ccc(cc1)c1ccc(cc1)n1ncccc1=O" . "GNIRITULTPTAQW-KNQAVFIVSA-N" . "InChI=1S/C23H24N4O/c1-25-15-19-12-14-26(22(19)16-25)20-8-4-17(5-9-20)18-6-10-21(11-7-18)27-23(28)3-2-13-24-27/h2-11,13,19,22H,12,14-16H2,1H3/t19-,22+/m1/s1" . "O=C(c1cc2c(s1)c(Cl)ccc2)NC1CN2CCC1CC2" . "O=C(c1cc2c(s1)c(Cl)ccc2)N[C@H]1CN2CCC1CC2" . "SSRDSYXGYPJKRR-ZDUSSCGKSA-N" . "InChI=1S/C16H17ClN2OS/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13H,4-7,9H2,(H,18,20)/t13-/m0/s1" . "CCC1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4c(c3Cn1c2=O)CC)O" . "CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4c(c3Cn1c2=O)CC)O" . "FJHBVJOVLFPMQE-QFIPXVFZSA-N" . "InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1" . "CCC(CCC=CCC=CCC=CCC=CCCCC(=O)O)O" . "CCC(CC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O)O" . "PPCHNRUZQWLEMF-XBOCNYGYSA-N" . "InChI=1S/C20H32O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,19,21H,2-3,8-9,14-18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-" . "CCCCC(C=CCC=CCC=CCC=CCCCC(=O)O)O" . "CCCCC(/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O)O" . "JEKNPVYFNMZRJG-UFINWASNSA-N" . "InChI=1S/C20H32O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14-" . "OCCCCCCCCCCCC(=O)O" . "OCCCCCCCCCCCC(=O)O" . "ZDHCZVWCTKTBRY-UHFFFAOYSA-N" . "InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)" . "OC1CCC(=C)C(=CC=C2CCCC3(C2CCC3C(CCCC(O)(C)C)C)C)C1" . "O[C@H]1CCC(=C)/C(=C/C=C/2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CCCC(O)(C)C)C)C)/C1" . "JWUBBDSIWDLEOM-DTOXIADCSA-N" . "InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1" . "O=S(=O)(c1ccccc1)Nc1nnc(s1)S(=O)(=O)N" . "O=S(=O)(c1ccccc1)Nc1nnc(s1)S(=O)(=O)N" . "PWDGTQXZLNDOKS-UHFFFAOYSA-N" . "InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)" . "COc1cc(O)c2c(c1)occ(c2=O)c1ccc(cc1)O" . "COc1cc(O)c2c(c1)occ(c2=O)c1ccc(cc1)O" . "KQMVAGISDHMXJJ-UHFFFAOYSA-N" . "InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3" . "CCCCOC(=O)NS(=O)(=O)c1sc(cc1c1ccc(cc1)Cn1cncc1)CC(C)C" . "CCCCOC(=O)NS(=O)(=O)c1sc(cc1c1ccc(cc1)Cn1cncc1)CC(C)C" . "XTEOJPUYZWEXFI-UHFFFAOYSA-N" . "InChI=1S/C23H29N3O4S2/c1-4-5-12-30-23(27)25-32(28,29)22-21(14-20(31-22)13-17(2)3)19-8-6-18(7-9-19)15-26-11-10-24-16-26/h6-11,14,16-17H,4-5,12-13,15H2,1-3H3,(H,25,27)" . "CCCCc1cnc(n1Cc1ccc(cc1)c1ccccc1C)C(=O)O" . "CCCCc1cnc(n1Cc1ccc(cc1)c1ccccc1C)C(=O)O" . "ZCAMCVJTCSXPMT-UHFFFAOYSA-N" . "InChI=1S/C22H24N2O2/c1-3-4-8-19-14-23-21(22(25)26)24(19)15-17-10-12-18(13-11-17)20-9-6-5-7-16(20)2/h5-7,9-14H,3-4,8,15H2,1-2H3,(H,25,26)" . "CCCC(N(C(=O)CC)Cc1ccc(cc1)c1ccccc1c1noc(=O)[nH]1)C(=O)O" . "CCC[C@H](N(C(=O)CC)Cc1ccc(cc1)c1ccccc1c1noc(=O)[nH]1)C(=O)O" . "FXELTRKWYHPHAE-IBGZPJMESA-N" . "InChI=1S/C23H25N3O5/c1-3-7-19(22(28)29)26(20(27)4-2)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)21-24-23(30)31-25-21/h5-6,8-13,19H,3-4,7,14H2,1-2H3,(H,28,29)(H,24,25,30)/t19-/m0/s1" . "CNCC(c1ccc(c(c1)OC)O)O" . "CNCC(c1ccc(c(c1)OC)O)O" . "JWJCTZKFYGDABJ-UHFFFAOYSA-N" . "InChI=1S/C10H15NO3/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2/h3-5,9,11-13H,6H2,1-2H3" . "C=CC(=O)N1CCCC(C1)n1nc(c2c1ncnc2N)c1ccc(cc1)Oc1ccccc1" . "C=CC(=O)N1CCC[C@H](C1)n1nc(c2c1ncnc2N)c1ccc(cc1)Oc1ccccc1" . "XYFPWWZEPKGCCK-GOSISDBHSA-N" . "InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1" . "CCCCc1n([c+]nc1Cc1ccc(cc1)c1ccccc1c1nnn(n1)[Na])Cc1ccc(cc1)c1ccccc1c1nnn(n1)[Na].[Br-]" . "CCCCc1n([c+]nc1Cc1ccc(cc1)c1ccccc1c1nnn(n1)[Na])Cc1ccc(cc1)c1ccccc1c1nnn(n1)[Na].[Br-]" . "BFASNXRKCVRLPK-UHFFFAOYSA-M" . "InChI=1S/C35H29N10.BrH.2Na/c1-2-3-12-33-32(21-24-13-17-26(18-14-24)28-8-4-6-10-30(28)34-37-41-42-38-34)36-23-45(33)22-25-15-19-27(20-16-25)29-9-5-7-11-31(29)35-39-43-44-40-35;;;/h4-11,13-20H,2-3,12,21-22H2,1H3;1H;;/q-1;;2*+1/p-1" . "CCCCCCC(C(=O)N1CC(CC1C(=O)O)Oc1ccc(cc1)C(=O)O)n1cnc(c1)NC(=O)c1ccccc1S(=O)(=O)O" . "CCCCCC[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)O)Oc1ccc(cc1)C(=O)O)n1cnc(c1)NC(=O)c1ccccc1S(=O)(=O)O" . "HHFYOGBTLFTWQX-QTJGBDASSA-N" . "InChI=1S/C30H34N4O10S/c1-2-3-4-5-9-23(33-17-26(31-18-33)32-27(35)22-8-6-7-10-25(22)45(41,42)43)28(36)34-16-21(15-24(34)30(39)40)44-20-13-11-19(12-14-20)29(37)38/h6-8,10-14,17-18,21,23-24H,2-5,9,15-16H2,1H3,(H,32,35)(H,37,38)(H,39,40)(H,41,42,43)/t21-,23+,24-/m0/s1" . "O=c1oc2ccccc2c(c1Cc1c(=O)oc2c(c1O)cccc2)O" . "O=c1oc2ccccc2c(c1Cc1c(=O)oc2c(c1O)cccc2)O" . "DOBMPNYZJYQDGZ-UHFFFAOYSA-N" . "InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2" . "OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)CCc1c[nH]c2c1c(=O)nc([nH]2)N" . "OC(=O)CC[C@H](C(=O)O)NC(=O)c1ccc(cc1)CCc1c[nH]c2c1c(=O)nc([nH]2)N" . "WBXPDJSOTKVWSJ-CYBMUJFWSA-N" . "InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m1/s1" . "CCCCCCC(C(=O)N1CC(CC1C(=O)O)Oc1ccc(cc1)C(=O)O)n1cnc(c1)NC(=O)c1ccccc1S(=O)(=O)O" . "CCCCCC[C@@H](C(=O)N1C[C@H](C[C@H]1C(=O)O)Oc1ccc(cc1)C(=O)O)n1cnc(c1)NC(=O)c1ccccc1S(=O)(=O)O" . "HHFYOGBTLFTWQX-XWGVYQGASA-N" . "InChI=1S/C30H34N4O10S/c1-2-3-4-5-9-23(33-17-26(31-18-33)32-27(35)22-8-6-7-10-25(22)45(41,42)43)28(36)34-16-21(15-24(34)30(39)40)44-20-13-11-19(12-14-20)29(37)38/h6-8,10-14,17-18,21,23-24H,2-5,9,15-16H2,1H3,(H,32,35)(H,37,38)(H,39,40)(H,41,42,43)/t21-,23-,24-/m0/s1" . "CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2" . "CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2" . "YOSHYTLCDANDAN-UHFFFAOYSA-N" . "InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)" . "CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O" . "CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O" . "HTQMVQVXFRQIKW-UHFFFAOYSA-N" . "InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)" . "CNCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)O)C)Cc1[nH]cnc1)[C@H](CC)C)Cc1ccc(cc1)O)C(C)C)CCCN=C(N)N" . "CNCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)O)C)Cc1[nH]cnc1)[C@H](CC)C)Cc1ccc(cc1)O)C(C)C)CCCN=C(N)N" . "XIEWFECSPPTVQN-KMIMAYJXSA-N" . "InChI=1S/C43H67N13O10/c1-7-24(4)35(40(63)53-31(19-27-20-47-22-49-27)41(64)56-17-9-11-32(56)38(61)50-25(5)42(65)66)55-37(60)30(18-26-12-14-28(57)15-13-26)52-39(62)34(23(2)3)54-36(59)29(51-33(58)21-46-6)10-8-16-48-43(44)45/h12-15,20,22-25,29-32,34-35,46,57H,7-11,16-19,21H2,1-6H3,(H,47,49)(H,50,61)(H,51,58)(H,52,62)(H,53,63)(H,54,59)(H,55,60)(H,65,66)(H4,44,45,48)/t24-,25+,29-,30-,31-,32-,34-,35-/m0/s1" . "CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1[nH]oc(=O)n1)c(ccc2)C(=O)O" . "CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1[nH]oc(=O)n1)c(ccc2)C(=O)O" . "KGSXMPPBFPAXLY-UHFFFAOYSA-N" . "InChI=1S/C25H20N4O5/c1-2-33-24-26-20-9-5-8-19(23(30)31)21(20)29(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-25(32)34-28-22/h3-13H,2,14H2,1H3,(H,30,31)(H,27,28,32)" . "CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1[nH]oc(=O)n1)c(ccc2)C(=O)OCc1oc(=O)oc1C" . "CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1[nH]oc(=O)n1)c(ccc2)C(=O)OCc1oc(=O)oc1C" . "QJFSABGVXDWMIW-UHFFFAOYSA-N" . "InChI=1S/C30H24N4O8/c1-3-38-28-31-23-10-6-9-22(27(35)39-16-24-17(2)40-30(37)41-24)25(23)34(28)15-18-11-13-19(14-12-18)20-7-4-5-8-21(20)26-32-29(36)42-33-26/h4-14H,3,15-16H2,1-2H3,(H,32,33,36)" . "CCc1nc(c(n1Cc1ccc2c(c1)c(Br)c(o2)c1ccccc1NS(=O)(=O)C(F)(F)F)C(=O)N)C1CC1" . "CCc1nc(c(n1Cc1ccc2c(c1)c(Br)c(o2)c1ccccc1NS(=O)(=O)C(F)(F)F)C(=O)N)C1CC1" . "DUEWVPTZCSAMNB-UHFFFAOYSA-N" . "InChI=1S/C25H22BrF3N4O4S/c1-2-19-31-21(14-8-9-14)22(24(30)34)33(19)12-13-7-10-18-16(11-13)20(26)23(37-18)15-5-3-4-6-17(15)32-38(35,36)25(27,28)29/h3-7,10-11,14,32H,2,8-9,12H2,1H3,(H2,30,34)" . "CCCCc1nc(nn1Cc1ccc(nc1)c1ccccc1c1n[nH]nn1)CCCC" . "CCCCc1nc(nn1Cc1ccc(nc1)c1ccccc1c1n[nH]nn1)CCCC" . "YONOBYIBNBCDSJ-UHFFFAOYSA-N" . "InChI=1S/C23H28N8/c1-3-5-11-21-25-22(12-6-4-2)31(28-21)16-17-13-14-20(24-15-17)18-9-7-8-10-19(18)23-26-29-30-27-23/h7-10,13-15H,3-6,11-12,16H2,1-2H3,(H,26,27,29,30)" . "CCc1nc2c(n1Cc1ccc(cc1)c1cc(ccc1S(=O)(=O)NC(=O)c1ccccc1)CC(C)C)nc(cc2C)C" . "CCc1nc2c(n1Cc1ccc(cc1)c1cc(ccc1S(=O)(=O)NC(=O)c1ccccc1)CC(C)C)nc(cc2C)C" . "BRUYKNQQCIYYNP-UHFFFAOYSA-N" . "InChI=1S/C34H36N4O3S/c1-6-31-36-32-23(4)19-24(5)35-33(32)38(31)21-25-12-15-27(16-13-25)29-20-26(18-22(2)3)14-17-30(29)42(40,41)37-34(39)28-10-8-7-9-11-28/h7-17,19-20,22H,6,18,21H2,1-5H3,(H,37,39)" . "CCC(C(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccccc1)Cc1nc[nH]c1)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(N)C)CCCN=C(N)N)Cc1ccc(cc1)O)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O" . "CHCOFDZSJYMQMX-NOQNJSOHSA-N" . "InChI=1S/C49H71N13O10/c1-6-28(4)40(46(69)58-36(24-32-25-53-26-55-32)47(70)62-21-11-15-38(62)44(67)59-37(48(71)72)23-30-12-8-7-9-13-30)61-43(66)35(22-31-16-18-33(63)19-17-31)57-45(68)39(27(2)3)60-42(65)34(56-41(64)29(5)50)14-10-20-54-49(51)52/h7-9,12-13,16-19,25-29,34-40,63H,6,10-11,14-15,20-24,50H2,1-5H3,(H,53,55)(H,56,64)(H,57,68)(H,58,69)(H,59,67)(H,60,65)(H,61,66)(H,71,72)(H4,51,52,54)/t28-,29-,34-,35-,36-,37-,38-,39-,40-/m0/s1" . "NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)N)CC(C)C " . "CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O" . "WCJSVACAALWGRF-LQPYQXOBSA-N" . "InChI=1S/C39H61N11O7/c1-23(2)20-29(47-34(52)31-14-8-18-49(31)36(54)26(41)11-7-17-44-39(42)43)33(51)46-28(13-5-6-16-40)37(55)50-19-9-15-32(50)35(53)48-30(38(56)57)21-24-22-45-27-12-4-3-10-25(24)27/h3-4,10,12,22-23,26,28-32,45H,5-9,11,13-21,40-41H2,1-2H3,(H,46,51)(H,47,52)(H,48,53)(H,56,57)(H4,42,43,44)/t26-,28-,29-,30-,31-,32-/m0/s1" . "CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1" . "CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1" . "PJVWKTKQMONHTI-UHFFFAOYSA-N" . "InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3" . "ONC(=O)CCCCCCC(=O)Nc1ccccc1" . "ONC(=O)CCCCCCC(=O)Nc1ccccc1" . "WAEXFXRVDQXREF-UHFFFAOYSA-N" . "InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)" . "COc1cc2N(C)C3C4(c2cc1C1(CC2CN(CCc5c1[nH]c1c5cccc1)CC(C2)(O)CC)C(=O)OC)CCN1C4C(C(C3(O)C(=O)OC)OC(=O)C)(CC)C=CC1" . "COc1cc2N(C)[C@@H]3[C@@]4(c2cc1[C@]1(C[C@H]2CN(CCc5c1[nH]c1c5cccc1)C[C@](C2)(O)CC)C(=O)OC)CCN1[C@H]4[C@@]([C@H]([C@]3(O)C(=O)OC)OC(=O)C)(CC)C=CC1" . "JXLYSJRDGCGARV-CFWMRBGOSA-N" . "InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1" . "N#CC1=C(O)C2C3(C(C1)(C)C1CCC4(C(C1CC3)CCC4O)C)O2" . "N#CC1=C(O)[C@@H]2[C@]3([C@@](C1)(C)[C@H]1CC[C@]4([C@H]([C@@H]1CC3)CC[C@@H]4O)C)O2" . "KVJXBPDAXMEYOA-CXANFOAXSA-N" . "InChI=1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-15,17,22-23H,3-9H2,1-2H3/t12-,13-,14-,15-,17+,18-,19+,20+/m0/s1" . "NS(=O)(=O)OCC12OCC3C(C2OC(O1)(C)C)OC(O3)(C)C" . "NS(=O)(=O)OC[C@]12OC[C@@H]3[C@H]([C@@H]2OC(O1)(C)C)OC(O3)(C)C" . "KJADKKWYZYXHBB-XBWDGYHZSA-N" . "InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1" . "CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C" . "CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C" . "JLRGJRBPOGGCBT-UHFFFAOYSA-N" . "InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)" . "O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CCCCCC1" . "O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CCCCCC1" . "OUDSBRTVNLOZBN-UHFFFAOYSA-N" . "InChI=1S/C14H21N3O3S/c1-12-6-8-13(9-7-12)21(19,20)16-14(18)15-17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)" . "Nc1nc(=S)c2c([nH]1)nc[nH]2" . "Nc1nc(=S)c2c([nH]1)nc[nH]2" . "WYWHKKSPHMUBEB-UHFFFAOYSA-N" . "InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)" . "N#CC(=C(O)C)C(=O)Nc1ccc(cc1)C(F)(F)F" . "N#C/C(=C(/O)/C)/C(=O)Nc1ccc(cc1)C(F)(F)F" . "UTNUDOFZCWSZMS-YFHOEESVSA-N" . "InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-" . "COCCCN1CC(NCC)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N" . "COCCCN1C[C@H](NCC)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N" . "HCRKCZRJWPKOAR-JTQLQIEISA-N" . "InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1" . "COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)c1cccs1" . "COc1cc(cc(c1O)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@H]1O)O)c1cccs1" . "NRUKOCRGYNPUPR-QBPJDGROSA-N" . "InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1" . "OCC1OC(C(C1O)O)n1cnc(n1)C(=O)N" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(n1)C(=O)N" . "IWUCXVSUMQZMFG-AFCXAGJDSA-N" . "InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1" . "CCOc1cc(ccc1C(=O)O)CC(=O)NC(c1ccccc1N1CCCCC1)CC(C)C" . "CCOc1cc(ccc1C(=O)O)CC(=O)N[C@H](c1ccccc1N1CCCCC1)CC(C)C" . "FAEKWTJYAYMJKF-QHCPKHFHSA-N" . "InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1" . "C#CCC(c1ccc(cc1)C(=O)NC(C(=O)O)CCC(=O)O)Cc1cnc2c(n1)c(N)nc(n2)N" . "C#CCC(c1ccc(cc1)C(=O)N[C@H](C(=O)O)CCC(=O)O)Cc1cnc2c(n1)c(N)nc(n2)N" . "OGSBUKJUDHAQEA-WMCAAGNKSA-N" . "InChI=1S/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14?,16-/m0/s1" . "CCC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1" . "CCC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1" . "DQDAYGNAKTZFIW-UHFFFAOYSA-N" . "InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3" . "O=C1C(c2ccccc2)C(=O)c2c1cccc2" . "O=C1C(c2ccccc2)C(=O)c2c1cccc2" . "NFBAXHOPROOJAW-UHFFFAOYSA-N" . "InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H" . "COCCOC(=O)NC(C(=O)NCCCCCCCOP(=O)(O)C)CCCCNC(=O)OCCOC" . "COCCOC(=O)N[C@H](C(=O)NCCCCCCCOP(=O)(O)C)CCCCNC(=O)OCCOC" . "WLCZTRVUXYALDD-IBGZPJMESA-N" . "InChI=1S/C22H44N3O10P/c1-31-15-17-33-21(27)24-13-9-7-11-19(25-22(28)34-18-16-32-2)20(26)23-12-8-5-4-6-10-14-35-36(3,29)30/h19H,4-18H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)(H,29,30)/t19-/m0/s1" . "O=C(NC(C(=O)NCC(=O)O)CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CCC(C(=O)O)N" . "N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O" . "YPZRWBKMTBYPTK-BJDJZHNGSA-N" . "InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1" . "O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F" . "O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F" . "OUBCNLGXQFSTLU-UHFFFAOYSA-N" . "InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2" . "CC(C1CCC(CC1)C(=O)NC(C(=O)O)Cc1ccccc1)C" . "CC([C@@H]1CC[C@H](CC1)C(=O)N[C@@H](C(=O)O)Cc1ccccc1)C" . "OELFLUMRDSZNSF-BRWVUGGUSA-N" . "InChI=1S/C19H27NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23)/t15-,16-,17-/m1/s1" . "COc1c(CC=C(CCC(=O)O)C)c(O)c2c(c1C)COC2=O" . "COc1c(C/C=C(/CCC(=O)O)/C)c(O)c2c(c1C)COC2=O" . "HPNSFSBZBAHARI-RUDMXATFSA-N" . "InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+" . "COc1c(CC=C(CCC(=O)OCCN2CCOCC2)C)c(O)c2c(c1C)COC2=O" . "COc1c(C/C=C(/CCC(=O)OCCN2CCOCC2)/C)c(O)c2c(c1C)COC2=O" . "RTGDFNSFWBGLEC-SYZQJQIISA-N" . "InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+" . "Oc1ccc(cc1)OCc1ccccc1" . "Oc1ccc(cc1)OCc1ccccc1" . "VYQNWZOUAUKGHI-UHFFFAOYSA-N" . "InChI=1S/C13H12O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,14H,10H2" . "COc1ccccc1OCC(COC(=O)N)O" . "COc1ccccc1OCC(COC(=O)N)O" . "GNXFOGHNGIVQEH-UHFFFAOYSA-N" . "InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)" . "CC(=O)N=c1sc(nn1C)S(=O)(=O)N" . "CC(=O)N=c1sc(nn1C)S(=O)(=O)N" . "FLOSMHQXBMRNHR-UHFFFAOYSA-N" . "InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)" . "COc1ccc(cc1)O" . "COc1ccc(cc1)O" . "NWVVVBRKAWDGAB-UHFFFAOYSA-N" . "InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3" . "CCC(N1CCCC1=O)C(=O)N" . "CC[C@H](N1CCCC1=O)C(=O)N" . "HPHUVLMMVZITSG-LURJTMIESA-N" . "InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1" . "O=C(c1cnoc1C)Nc1ccc(cc1)C(F)(F)F" . "O=C(c1cnoc1C)Nc1ccc(cc1)C(F)(F)F" . "VHOGYURTWQBHIL-UHFFFAOYSA-N" . "InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)" . "O=C1NC(CC2OC2(C)CCCC(C(C(C(=O)C(C(C1)O)(C)C)C)O)C)C(=Cc1csc(n1)C)C" . "O=C1N[C@@H](C[C@@H]2O[C@]2(C)CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](C1)O)(C)C)C)O)C)/C(=C/c1csc(n1)C)/C" . "FABUFPQFXZVHFB-PVYNADRNSA-N" . "InChI=1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1" . "CCC1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4c(c3Cn1c2=O)CC)OC(=O)N1CCC(CC1)N1CCCCC1" . "CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4c(c3Cn1c2=O)CC)OC(=O)N1CCC(CC1)N1CCCCC1" . "UWKQSNNFCGGAFS-XIFFEERXSA-N" . "InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1" . "NC(=O)NO" . "NC(=O)NO" . "VSNHCAURESNICA-UHFFFAOYSA-N" . "InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)" . "Cc1ncc(nc1)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1" . "Cc1ncc(nc1)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1" . "ZJJXGWJIGJFDTL-UHFFFAOYSA-N" . "InChI=1S/C21H27N5O4S/c1-15-13-24-19(14-23-15)20(27)22-12-11-16-7-9-18(10-8-16)31(29,30)26-21(28)25-17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,22,27)(H2,25,26,28)" . "CCC1=C(C)CN(C1=O)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCC(CC1)C" . "CCC1=C(C)CN(C1=O)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)N[C@@H]1CC[C@H](CC1)C" . "WIGIZIANZCJQQY-RUCARUNLSA-N" . "InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)/t16-,19-" . "OCCN(CC1CCC(CC1)CCN(C(=O)Oc1ccc(cc1)C(F)(F)F)C)CC" . "OCCN(C[C@@H]1CC[C@H](CC1)CCN(C(=O)Oc1ccc(cc1)C(F)(F)F)C)CC" . "MUXRZYNIEMIEAL-IYARVYRRSA-N" . "InChI=1S/C22H33F3N2O3/c1-3-27(14-15-28)16-18-6-4-17(5-7-18)12-13-26(2)21(29)30-20-10-8-19(9-11-20)22(23,24)25/h8-11,17-18,28H,3-7,12-16H2,1-2H3/t17-,18-" . "COC1OC(COS(=O)(=O)O)C(C(C1NS(=O)(=O)O)O)OC1OC(C(=O)O)C(C(C1OS(=O)(=O)O)O)OC1OC(COS(=O)(=O)O)C(C(C1NS(=O)(=O)O)OS(=O)(=O)O)OC1OC(C(=O)O)C(C(C1O)O)OC1OC(COS(=O)(=O)O)C(C(C1NS(=O)(=O)O)O)O" . "CO[C@H]1O[C@H](COS(=O)(=O)O)[C@H]([C@@H]([C@H]1NS(=O)(=O)O)O)O[C@@H]1O[C@@H](C(=O)O)[C@H]([C@@H]([C@H]1OS(=O)(=O)O)O)O[C@H]1O[C@H](COS(=O)(=O)O)[C@H]([C@@H]([C@H]1NS(=O)(=O)O)OS(=O)(=O)O)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@H](COS(=O)(=O)O)[C@H]([C@@H]([C@H]1NS(=O)(=O)O)O)O" . "KANJSNBRCNMZMV-ABRZTLGGSA-N" . "InChI=1S/C31H53N3O49S8/c1-69-27-9(33-85(48,49)50)13(37)17(6(74-27)3-71-88(57,58)59)76-31-22(83-91(66,67)68)16(40)21(24(81-31)26(43)44)79-29-10(34-86(51,52)53)19(82-90(63,64)65)18(7(75-29)4-72-89(60,61)62)77-30-15(39)14(38)20(23(80-30)25(41)42)78-28-8(32-84(45,46)47)12(36)11(35)5(73-28)2-70-87(54,55)56/h5-24,27-40H,2-4H2,1H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21+,22-,23+,24-,27+,28-,29-,30-,31-/m1/s1" . "O=C1C=CC2(C(N1)CCC1C2CCC2(C1CCC2C(=O)NC(C)(C)C)C)C" . "O=C1C=C[C@]2([C@H](N1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)NC(C)(C)C)C)C" . "DBEPLOCGEIEOCV-WSBQPABSSA-N" . "InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1" . "N#Cc1cc(ccc1OCC(C)C)c1nc(c(s1)C(=O)O)C" . "N#Cc1cc(ccc1OCC(C)C)c1nc(c(s1)C(=O)O)C" . "BQSJTQLCZDPROO-UHFFFAOYSA-N" . "InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)" . "Oc1ccc(cc1)C1C(CCC(c2ccc(cc2)F)O)C(=O)N1c1ccc(cc1)F" . "Oc1ccc(cc1)[C@@H]1[C@@H](CC[C@@H](c2ccc(cc2)F)O)C(=O)N1c1ccc(cc1)F" . "OLNTVTPDXPETLC-XPWALMASSA-N" . "InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1" . "COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)C" . "COc1cc(cc(c1O)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@H]1O)O)C" . "VJJPUSNTGOMMGY-MRVIYFEKSA-N" . "InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1" . "CCOc1ccc2c(c1)sc(n2)S(=O)(=O)N" . "CCOc1ccc2c(c1)sc(n2)S(=O)(=O)N" . "OUZWUKMCLIBBOG-UHFFFAOYSA-N" . "InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)" . "OCC1OC(C(C1O)O)n1cnc(nc1=O)N" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(nc1=O)N" . "NMUSYJAQQFHJEW-KVTDHHQDSA-N" . "InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1" . "O=c1ncnc2c1c[nH][nH]2" . "O=c1ncnc2c1c[nH][nH]2" . "OFCNXPDARWKPPY-UHFFFAOYSA-N" . "InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)" . "NCC(CC1OC2C(C1OC)CC(=O)CC1CCC3C(O1)C1OC4(CCC5OC(CCC6OC(C2)C(=C)C(C6)C)C(=C)C5)OC2C(O3)C1OC2C4)O" . "NC[C@H](C[C@H]1O[C@@H]2[C@@H]([C@H]1OC)CC(=O)C[C@H]1CC[C@H]3[C@H](O1)[C@@H]1O[C@]4(CC[C@@H]5O[C@@H](CC[C@@H]6O[C@H](C2)C(=C)[C@@H](C6)C)C(=C)C5)O[C@@H]2[C@H](O3)[C@H]1O[C@@H]2C4)O" . "UFNVPOGXISZXJD-JBQZKEIOSA-N" . "InChI=1S/C40H59NO11/c1-19-11-24-5-7-28-20(2)12-26(45-28)9-10-40-17-33-36(51-40)37-38(50-33)39(52-40)35-29(49-37)8-6-25(47-35)13-22(42)14-27-31(16-30(46-24)21(19)3)48-32(34(27)44-4)15-23(43)18-41/h19,23-39,43H,2-3,5-18,41H2,1,4H3/t19-,23+,24+,25-,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+/m1/s1" . "CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(c(c1)C(F)(F)F)C#N" . "CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(c(c1)C(F)(F)F)C#N" . "WXCXUHSOUPDCQV-UHFFFAOYSA-N" . "InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)" . "OCC1OC(OC2C(OC(C(C2O)OS(=O)(=O)O)OC2C(COS(=O)(=O)O)OC(C(C2O)NC(=O)C)O)C(=O)O)C(C(C1OC1OC(C(=O)O)C(C(C1OS(=O)(=O)O)O)O)OS(=O)(=O)O)NS(=O)(=O)O" . "OCC1OC(OC2C(OC(C(C2O)OS(=O)(=O)O)OC2C(COS(=O)(=O)O)OC(C(C2O)NC(=O)C)O)C(=O)O)C(C(C1OC1OC(C(=O)O)C(C(C1OS(=O)(=O)O)O)O)OS(=O)(=O)O)NS(=O)(=O)O" . "HTTJABKRGRZYRN-UHFFFAOYSA-N" . "InChI=1S/C26H42N2O37S5/c1-4(30)27-7-9(31)13(6(56-23(7)39)3-55-67(43,44)45)58-26-19(65-70(52,53)54)12(34)16(20(62-26)22(37)38)60-24-8(28-66(40,41)42)15(63-68(46,47)48)14(5(2-29)57-24)59-25-18(64-69(49,50)51)11(33)10(32)17(61-25)21(35)36/h5-20,23-26,28-29,31-34,39H,2-3H2,1H3,(H,27,30)(H,35,36)(H,37,38)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)" . "CCNC1CC(C)S(=O)(=O)c2c1cc(s2)S(=O)(=O)N" . "CCN[C@H]1C[C@H](C)S(=O)(=O)c2c1cc(s2)S(=O)(=O)N" . "IAVUPMFITXYVAF-XPUUQOCRSA-N" . "InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1" . "CC(=O)OC12COC1CC(C1(C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(C(c3ccccc3)NC(=O)OC(C)(C)C)O)C(=C(C2(C)C)C(C1=O)O)C)C)O" . "CC(=O)O[C@@]12CO[C@@H]1C[C@@H]([C@@]1([C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@@H]([C@H](c3ccccc3)NC(=O)OC(C)(C)C)O)C(=C(C2(C)C)[C@H](C1=O)O)C)C)O" . "ZDZOTLJHXYCWBA-VCVYQWHSSA-N" . "InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1" . "OCC1OC(OC2C(O)CC(OC2C)OC2C(O)CC(OC2C)OC2C(O)CC(OC2C)OC2CCC3(C(C2)CCC2C3CC(O)C3(C2(O)CCC3C2=CC(=O)OC2)C)C)C(C(C1O)O)O" . "OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3C[C@@H](O)[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)[C@@H]([C@H]([C@@H]1O)O)O" . "OBATZBGFDSVCJD-LALPQLPRSA-N" . "InChI=1S/C47H74O19/c1-20-41(64-36-16-30(50)42(21(2)60-36)65-37-17-31(51)43(22(3)61-37)66-44-40(56)39(55)38(54)32(18-48)63-44)29(49)15-35(59-20)62-25-8-10-45(4)24(13-25)6-7-27-28(45)14-33(52)46(5)26(9-11-47(27,46)57)23-12-34(53)58-19-23/h12,20-22,24-33,35-44,48-52,54-57H,6-11,13-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46+,47+/m1/s1" . "OCC1OC(CC1O)n1cnc(nc1=O)N" . "OC[C@H]1O[C@H](C[C@@H]1O)n1cnc(nc1=O)N" . "XAUDJQYHKZQPEU-KVQBGUIXSA-N" . "InChI=1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1" . "OCC1OC(C(C1O)F)n1cnc2c1nc(Cl)nc2N" . "OC[C@H]1O[C@H]([C@H]([C@@H]1O)F)n1cnc2c1nc(Cl)nc2N" . "WDDPHFBMKLOVOX-AYQXTPAHSA-N" . "InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4+,6-,9-/m1/s1" . "CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1" . "CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1" . "RKWGIWYCVPQPMF-UHFFFAOYSA-N" . "InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)" . "ClCCNC(=O)N(CCCl)N=O" . "ClCCNC(=O)N(CCCl)N=O" . "DLGOEMSEDOSKAD-UHFFFAOYSA-N" . "InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)" . "CCCCCOC(=O)Nc1nc(=O)n(cc1F)C1OC(C(C1O)O)C" . "CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)C" . "GAGWJHPBXLXJQN-UORFTKCHSA-N" . "InChI=1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1" . "COC1C(=O)C2(C)C(OC)CC3C(C2C(C2(C(C1=C(C)C(OC(=O)C(C(c1ccccc1)NC(=O)OC(C)(C)C)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C" . "CO[C@H]1C(=O)[C@]2(C)[C@@H](OC)C[C@@H]3[C@]([C@H]2[C@@H]([C@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)OC(C)(C)C)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C" . "BMQGVNUXMIRLCK-OAGWZNDDSA-N" . "InChI=1S/C45H57NO14/c1-24-28(57-39(51)33(48)32(26-17-13-11-14-18-26)46-40(52)60-41(3,4)5)22-45(53)37(58-38(50)27-19-15-12-16-20-27)35-43(8,36(49)34(55-10)31(24)42(45,6)7)29(54-9)21-30-44(35,23-56-30)59-25(2)47/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1" . "CC(=O)OC1CC(OC2C(O)CC(OC2C)OC2C(O)CC(OC2C)OC2CCC3(C(C2)CCC2C3CCC3(C2(O)CCC3C2=CC(=O)OC2)C)C)OC(C1O)C" . "CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@@H]([C@H]1O)C" . "HPMZBILYSWLILX-UMDUKNJSSA-N" . "InChI=1S/C43H66O14/c1-21-38(48)33(54-24(4)44)19-37(51-21)57-40-23(3)53-36(18-32(40)46)56-39-22(2)52-35(17-31(39)45)55-27-9-12-41(5)26(16-27)7-8-30-29(41)10-13-42(6)28(11-14-43(30,42)49)25-15-34(47)50-20-25/h15,21-23,26-33,35-40,45-46,48-49H,7-14,16-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29+,30-,31+,32+,33+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1" . "O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1" . "O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1" . "VGZSUPCWNCWDAN-UHFFFAOYSA-N" . "InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)" . "CC(=O)Nc1nnc(s1)S(=O)(=O)N" . "CC(=O)Nc1nnc(s1)S(=O)(=O)N" . "BZKPWHYZMXOIDC-UHFFFAOYSA-N" . "InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)" . "OCC1OC(OC2C(CO)OC(C(C2O)O)O)C(C(C1OC1OC(C)C(C(C1O)O)NC1C=C(CO)C(C(C1O)O)O)O)O" . "OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)O)N[C@H]1C=C(CO)[C@H]([C@@H]([C@H]1O)O)O)O)O" . "XUFXOAAUWZOOIT-SXARVLRPSA-N" . "InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-/m1/s1" . "CCCN(CCCC#CC1CCC(CC1)N(C(=O)Oc1ccc(cc1)Cl)C)C" . "CCCN(CCCC#C[C@@H]1CC[C@H](CC1)N(C(=O)Oc1ccc(cc1)Cl)C)C" . "FXHALLFKKHHPNQ-XUTJKUGGSA-N" . "InChI=1S/C23H33ClN2O2/c1-4-17-25(2)18-7-5-6-8-19-9-13-21(14-10-19)26(3)23(27)28-22-15-11-20(24)12-16-22/h11-12,15-16,19,21H,4-5,7,9-10,13-14,17-18H2,1-3H3/t19-,21-" . "O=CN1c2cc(OC)c(cc2C23C1C(O)(C(=O)OC)C(OC(=O)C)C1(C3N(CC2)CC=C1)CC)C1(CC2CN(CCc3c1[nH]c1c3cccc1)CC(C2)(O)CC)C(=O)OC" . "O=CN1c2cc(OC)c(cc2[C@]23[C@@H]1[C@@](O)(C(=O)OC)[C@H](OC(=O)C)[C@]1([C@@H]3N(CC2)CC=C1)CC)[C@]1(C[C@@H]2CN(CCc3c1[nH]c1c3cccc1)C[C@](C2)(O)CC)C(=O)OC" . "OGWKCGZFUXNPDA-XQKSVPLYSA-N" . "InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1" . "C=CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(CC2OC)C)C(=O)C(=O)N2C(C(=O)OC(C(C(CC1=O)O)C)C(=CC1CCC(C(C1)OC)O)C)CCCC2" . "C=CC[C@@H]1/C=C(/C)/C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@@H](C[C@@H]2OC)C)C(=O)C(=O)N2[C@H](C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]1CC[C@H]([C@@H](C1)OC)O)/C)CCCC2" . "QJJXYPPXXYFBGM-LFZNUXCKSA-N" . "InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1" . "CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(CC2OC)C)C(=O)C(=O)N2C(C(=O)OC(C(C(CC1=O)O)C)C(=CC1CCC(C(C1)OC)Cl)C)CCCC2" . "CC[C@@H]1/C=C(/C)/C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@@H](C[C@@H]2OC)C)C(=O)C(=O)N2[C@H](C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]1CC[C@@H]([C@@H](C1)OC)Cl)/C)CCCC2" . "KASDHRXLYQOAKZ-XDSKOBMDSA-N" . "InChI=1S/C43H68ClNO11/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)45-16-12-11-13-32(45)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-31(44)35(22-29)52-7/h18,20,25,27-33,35-39,46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32-,33-,35+,36-,37-,38+,39+,43+/m0/s1" . "O=C1OCC(=C1)C1CCC2(C1(C)CCC1C2CCC2C1(C)CCC(C2)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O" . "O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O)O" . "WDJUZGPOPHTGOT-XUDUSOBPSA-N" . "InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1" . "CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(COP(=O)(OP(=O)(OCC1OC(C(C1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O" . "CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O" . "MNBKLUUYKPBKDU-BBECNAHFSA-N" . "InChI=1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t26-,30-,31-,32+,36-/m1/s1" . "O=C(C1CCCN(C1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)Nc1ccc(cc1)Cl" . "O=C(C1CCCN(C1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)Nc1ccc(cc1)Cl" . "MOQCFMZWVKQBAP-UHFFFAOYSA-N" . "InChI=1S/C21H17ClF6N2O2/c22-16-3-5-17(6-4-16)29-18(31)12-2-1-7-30(11-12)19(32)13-8-14(20(23,24)25)10-15(9-13)21(26,27)28/h3-6,8-10,12H,1-2,7,11H2,(H,29,31)" . "Clc1ccc(cc1)NC(=O)C1CCCN(C1)C(=O)c1cccc(c1)c1ccco1" . "Clc1ccc(cc1)NC(=O)C1CCCN(C1)C(=O)c1cccc(c1)c1ccco1" . "HERLZBNILRVHQN-UHFFFAOYSA-N" . "InChI=1S/C23H21ClN2O3/c24-19-8-10-20(11-9-19)25-22(27)18-6-2-12-26(15-18)23(28)17-5-1-4-16(14-17)21-7-3-13-29-21/h1,3-5,7-11,13-14,18H,2,6,12,15H2,(H,25,27)" . "Clc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "Clc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "VBZKJHSBGYDJAN-UHFFFAOYSA-N" . "InChI=1S/C21H13ClF6N2O3S/c22-15-3-1-12(2-4-15)19(31)29-16-5-7-18(8-6-16)34(32,33)30-17-10-13(20(23,24)25)9-14(11-17)21(26,27)28/h1-11,30H,(H,29,31)" . "O=C(C(ONC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)Nc1ccc(cc1)Cl" . "O=C(C(ONC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)Nc1ccc(cc1)Cl" . "DSMXVSGJIDFLKP-UHFFFAOYSA-N" . "InChI=1S/C18H13ClF6N2O3/c1-9(15(28)26-14-4-2-13(19)3-5-14)30-27-16(29)10-6-11(17(20,21)22)8-12(7-10)18(23,24)25/h2-9H,1H3,(H,26,28)(H,27,29)" . "OC1CCC2(C(=CCC3C2CCC2(C3CC=C2c2cccnc2)C)C1)C" . "O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC=C2c2cccnc2)C)C1)C" . "GZOSMCIZMLWJML-VJLLXTKPSA-N" . "InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1" . "COc1ccc(cc1)C(=O)n1c(C)c(c2c1ccc(c2)OC(F)(F)F)Cc1cccc(c1)OC(C(=O)O)C" . "COc1ccc(cc1)C(=O)n1c(C)c(c2c1ccc(c2)OC(F)(F)F)Cc1cccc(c1)O[C@H](C(=O)O)C" . "OFCWBJAYEIROGZ-KRWDZBQOSA-N" . "InChI=1S/C28H24F3NO6/c1-16-23(14-18-5-4-6-21(13-18)37-17(2)27(34)35)24-15-22(38-28(29,30)31)11-12-25(24)32(16)26(33)19-7-9-20(36-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m0/s1" . "COc1ccc(cc1)C(=O)n1c(C)c(c2c1ccc(c2)OC(F)(F)F)Cc1ccccc1OC(C(=O)O)C" . "COc1ccc(cc1)C(=O)n1c(C)c(c2c1ccc(c2)OC(F)(F)F)Cc1ccccc1O[C@H](C(=O)O)C" . "BWTOBMCYVACNJZ-KRWDZBQOSA-N" . "InChI=1S/C28H24F3NO6/c1-16-22(14-19-6-4-5-7-25(19)37-17(2)27(34)35)23-15-21(38-28(29,30)31)12-13-24(23)32(16)26(33)18-8-10-20(36-3)11-9-18/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m0/s1" . "CCC(c1nc2cccc(c2c(=O)n1c1ccccc1)F)Nc1ncnc2c1[nH]cn2" . "CC[C@@H](c1nc2cccc(c2c(=O)n1c1ccccc1)F)Nc1ncnc2c1[nH]cn2" . "IFSDAJWBUCMOAH-HNNXBMFYSA-N" . "InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1" . "Fc1cc(CC(=O)N2CCc3c2ccc(c3)c2cn(c3c2c(N)ncn3)C)cc(c1)C(F)(F)F" . "Fc1cc(CC(=O)N2CCc3c2ccc(c3)c2cn(c3c2c(N)ncn3)C)cc(c1)C(F)(F)F" . "PXVQGBJMIQCDEX-UHFFFAOYSA-N" . "InChI=1S/C24H19F4N5O/c1-32-11-18(21-22(29)30-12-31-23(21)32)14-2-3-19-15(9-14)4-5-33(19)20(34)8-13-6-16(24(26,27)28)10-17(25)7-13/h2-3,6-7,9-12H,4-5,8H2,1H3,(H2,29,30,31)" . "COc1cc(cc(c1O)[N+](=O)[O-])C(P(=O)(CCC(C(=O)O)N)O)O" . "COc1cc(cc(c1O)[N+](=O)[O-])C(P(=O)(CC[C@@H](C(=O)O)N)O)O" . "PEXVMHLARUAHNC-KAJCPDDVSA-N" . "InChI=1S/C12H17N2O9P/c1-23-9-5-6(4-8(10(9)15)14(19)20)12(18)24(21,22)3-2-7(13)11(16)17/h4-5,7,12,15,18H,2-3,13H2,1H3,(H,16,17)(H,21,22)/t7-,12?/m0/s1" . "SCCC(CCCCC(=O)O)S" . "SCCC(CCCCC(=O)O)S" . "IZFHEQBZOYJLPK-UHFFFAOYSA-N" . "InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)" . "SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N" . "SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N" . "RWSXRVCMGQZWBV-WDSKDSINSA-N" . "InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1" . "COC(=O)c1sc(cc1NC(=O)C=CC(=O)O)c1cccs1" . "COC(=O)c1sc(cc1NC(=O)/C=C/C(=O)O)c1cccs1" . "GJODSFZNKNHKML-SNAWJCMRSA-N" . "InChI=1S/C14H11NO5S2/c1-20-14(19)13-8(15-11(16)4-5-12(17)18)7-10(22-13)9-3-2-6-21-9/h2-7H,1H3,(H,15,16)(H,17,18)/b5-4+" . "CCc1c(c2ccccc2)c(nn1c1ccccc1c1cccc(c1)OCC(=O)O)c1ccccc1" . "CCc1c(c2ccccc2)c(nn1c1ccccc1c1cccc(c1)OCC(=O)O)c1ccccc1" . "SJRVJRYZAQYCEE-UHFFFAOYSA-N" . "InChI=1S/C31H26N2O3/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35)" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCC1CCCCC1.Cl.Cl" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCC1CCCCC1.Cl.Cl" . "ZFNNBIMQDHBELV-UHFFFAOYSA-N" . "InChI=1S/C40H53N5O3.2ClH/c1-6-7-21-45-38-32(19-12-20-42-38)35(29-17-11-18-31(23-29)48-22-13-16-28-14-9-8-10-15-28)37(39(45)46)44-40(47)43-36-33(26(2)3)24-30(41)25-34(36)27(4)5;;/h11-12,17-20,23-28H,6-10,13-16,21-22,41H2,1-5H3,(H2,43,44,47);2*1H" . "NCC(c1ccc(c(c1)OC)O)O" . "NCC(c1ccc(c(c1)OC)O)O" . "YNYAYWLBAHXHLL-UHFFFAOYSA-N" . "InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCN1CCCC1.Cl.Cl" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCN1CCCC1.Cl.Cl" . "YRTFLDFDKPFNCJ-UHFFFAOYSA-N" . "InChI=1S/C38H50N6O3.2ClH/c1-6-7-20-44-36-30(15-11-16-40-36)33(27-13-10-14-29(22-27)47-21-12-19-43-17-8-9-18-43)35(37(44)45)42-38(46)41-34-31(25(2)3)23-28(39)24-32(34)26(4)5;;/h10-11,13-16,22-26H,6-9,12,17-21,39H2,1-5H3,(H2,41,42,46);2*1H" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCC(C)C" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCC(C)C" . "PRCCYAKPEIWHCQ-UHFFFAOYSA-N" . "InChI=1S/C37H49N5O3/c1-8-9-18-42-35-29(16-11-17-39-35)32(26-14-10-15-28(20-26)45-19-12-13-23(2)3)34(36(42)43)41-37(44)40-33-30(24(4)5)21-27(38)22-31(33)25(6)7/h10-11,14-17,20-25H,8-9,12-13,18-19,38H2,1-7H3,(H2,40,41,44)" . "OCCOc1cccc(c1)c1c(NC(=O)Nc2c(ccc(c2C(C)C)N)C(C)C)c(=O)n(c2c1cccn2)CCCC.Cl" . "OCCOc1cccc(c1)c1c(NC(=O)Nc2c(ccc(c2C(C)C)N)C(C)C)c(=O)n(c2c1cccn2)CCCC.Cl" . "MXPCZHSTOIKVST-UHFFFAOYSA-N" . "InChI=1S/C33H41N5O4.ClH/c1-6-7-16-38-31-25(12-9-15-35-31)28(22-10-8-11-23(19-22)42-18-17-39)30(32(38)40)37-33(41)36-29-24(20(2)3)13-14-26(34)27(29)21(4)5;/h8-15,19-21,39H,6-7,16-18,34H2,1-5H3,(H2,36,37,41);1H" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)CN)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCO.Cl" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)CN)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCO.Cl" . "OXTVBHDILDPYAS-UHFFFAOYSA-N" . "InChI=1S/C35H45N5O4.ClH/c1-6-7-15-40-33-27(13-9-14-37-33)30(25-11-8-12-26(20-25)44-17-10-16-41)32(34(40)42)39-35(43)38-31-28(22(2)3)18-24(21-36)19-29(31)23(4)5;/h8-9,11-14,18-20,22-23,41H,6-7,10,15-17,21,36H2,1-5H3,(H2,38,39,43);1H" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCO" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OCCCO" . "HNRUUMLUBDTZHX-UHFFFAOYSA-N" . "InChI=1S/C34H43N5O4/c1-6-7-15-39-32-26(13-9-14-36-32)29(23-11-8-12-25(18-23)43-17-10-16-40)31(33(39)41)38-34(42)37-30-27(21(2)3)19-24(35)20-28(30)22(4)5/h8-9,11-14,18-22,40H,6-7,10,15-17,35H2,1-5H3,(H2,37,38,42)" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)CN(C)C)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)CN(C)C)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl" . "YCGQPIRMLGEWMW-UHFFFAOYSA-N" . "InChI=1S/C35H45N5O3.ClH/c1-9-10-17-40-33-27(15-12-16-36-33)30(25-13-11-14-26(20-25)43-8)32(34(40)41)38-35(42)37-31-28(22(2)3)18-24(21-39(6)7)19-29(31)23(4)5;/h11-16,18-20,22-23H,9-10,17,21H2,1-8H3,(H2,37,38,42);1H" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)CN)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)CN)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl" . "SZCBDIVMCGFVPW-UHFFFAOYSA-N" . "InChI=1S/C33H41N5O3.ClH/c1-7-8-15-38-31-25(13-10-14-35-31)28(23-11-9-12-24(18-23)41-6)30(32(38)39)37-33(40)36-29-26(20(2)3)16-22(19-34)17-27(29)21(4)5;/h9-14,16-18,20-21H,7-8,15,19,34H2,1-6H3,(H2,36,37,40);1H" . "CCCCn1c(=O)c(NC(=O)NC2=C(C=CNC2C(C)C)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl" . "CCCCn1c(=O)c(NC(=O)NC2=C(C=CNC2C(C)C)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl" . "UXCQVIIRKWYPHK-UHFFFAOYSA-N" . "InChI=1S/C31H39N5O3.ClH/c1-7-8-17-36-29-24(13-10-15-33-29)25(21-11-9-12-22(18-21)39-6)28(30(36)37)35-31(38)34-27-23(19(2)3)14-16-32-26(27)20(4)5;/h9-16,18-20,26,32H,7-8,17H2,1-6H3,(H2,34,35,38);1H" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl" . "CCCCn1c(=O)c(NC(=O)Nc2c(cc(cc2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl" . "NPAVKCDQHSYXFT-UHFFFAOYSA-N" . "InChI=1S/C32H39N5O3.ClH/c1-7-8-15-37-30-24(13-10-14-34-30)27(21-11-9-12-23(16-21)40-6)29(31(37)38)36-32(39)35-28-25(19(2)3)17-22(33)18-26(28)20(4)5;/h9-14,16-20H,7-8,15,33H2,1-6H3,(H2,35,36,39);1H" . "CCCCn1c(=O)c(NC(=O)Nc2c(ccc(c2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl" . "CCCCn1c(=O)c(NC(=O)Nc2c(ccc(c2C(C)C)N)C(C)C)c(c2c1nccc2)c1cccc(c1)OC.Cl" . "HALGUFCFUQNPBN-UHFFFAOYSA-N" . "InChI=1S/C32H39N5O3.ClH/c1-7-8-17-37-30-24(13-10-16-34-30)27(21-11-9-12-22(18-21)40-6)29(31(37)38)36-32(39)35-28-23(19(2)3)14-15-25(33)26(28)20(4)5;/h9-16,18-20H,7-8,17,33H2,1-6H3,(H2,35,36,39);1H" . "CCCCn1c(=O)c(NC(=O)Nc2c(cccc2C(C)C)C(C)C)c(c2c1nccc2)c1cccc(c1)OC" . "CCCCn1c(=O)c(NC(=O)Nc2c(cccc2C(C)C)C(C)C)c(c2c1nccc2)c1cccc(c1)OC" . "ORFMGXFFDRWECM-UHFFFAOYSA-N" . "InChI=1S/C32H38N4O3/c1-7-8-18-36-30-26(16-11-17-33-30)27(22-12-9-13-23(19-22)39-6)29(31(36)37)35-32(38)34-28-24(20(2)3)14-10-15-25(28)21(4)5/h9-17,19-21H,7-8,18H2,1-6H3,(H2,34,35,38)" . "CCN(Cc1cccc(c1)OCc1scc(c1)c1cscc1)CC#Cc1ccccc1" . "CCN(Cc1cccc(c1)OCc1scc(c1)c1cscc1)CC#Cc1ccccc1" . "GZVZWBOHPHLQFU-UHFFFAOYSA-N" . "InChI=1S/C27H25NOS2/c1-2-28(14-7-11-22-8-4-3-5-9-22)18-23-10-6-12-26(16-23)29-19-27-17-25(21-31-27)24-13-15-30-20-24/h3-6,8-10,12-13,15-17,20-21H,2,14,18-19H2,1H3" . "NCCc1ccc(c(c1)OC)O" . "NCCc1ccc(c(c1)OC)O" . "DIVQKHQLANKJQO-UHFFFAOYSA-N" . "InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3" . "CC(=CCCC=C(CCC=C(CCC1OC1(C)C)C)C)CCCSCCC=C(C)C" . "C/C(=C/CCC=C(CC/C=C(/CCC1OC1(C)C)/C)C)/CCCSCCC=C(C)C" . "SFOVLQYHQCMFTD-VLUDVKJZSA-N" . "InChI=1S/C28H48OS/c1-23(2)13-11-21-30-22-12-18-25(4)15-9-8-14-24(3)16-10-17-26(5)19-20-27-28(6,7)29-27/h13-15,17,27H,8-12,16,18-22H2,1-7H3/b24-14?,25-15+,26-17+" . "CC(CCC=C(C)C)SCCC(=CCCC=C(CCC=C(CCC1OC1(C)C)C)C)C" . "CC(CCC=C(C)C)SCC/C(=C/CC/C=C(/CC/C=C(/CCC1OC1(C)C)/C)/C)/C" . "CRZHANPLXOIADK-YNWRIEOZSA-N" . "InChI=1S/C29H50OS/c1-23(2)13-11-18-27(6)31-22-21-26(5)15-10-9-14-24(3)16-12-17-25(4)19-20-28-29(7,8)30-28/h13-15,17,27-28H,9-12,16,18-22H2,1-8H3/b24-14+,25-17+,26-15+" . "CC=CCCC(=CCCC(=CCCC=C(CCC=C(CCC1OC1(C)C)C)C)C)CC=C" . "C/C=C/CC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC1OC1(C)C)/C)/C)/C)/CC=C" . "DOTTUEYUTNVWMJ-KSTFQPQISA-N" . "InChI=1S/C31H50O/c1-8-10-11-22-29(16-9-2)23-15-21-27(4)18-13-12-17-26(3)19-14-20-28(5)24-25-30-31(6,7)32-30/h8-10,17-18,20,23,30H,2,11-16,19,21-22,24-25H2,1,3-7H3/b10-8-,26-17+,27-18+,28-20+,29-23-" . "OCCN(CCCCCC1CCC(CC1)N(S(=O)(=O)c1ccc(cc1)C(F)(F)F)C)C" . "OCCN(CCCCC[C@@H]1CC[C@H](CC1)N(S(=O)(=O)c1ccc(cc1)C(F)(F)F)C)C" . "YPKPOCIBCOOAFB-KESTWPANSA-N" . "InChI=1S/C22H35F3N2O3S/c1-26(16-17-28)15-5-3-4-6-18-7-11-20(12-8-18)27(2)31(29,30)21-13-9-19(10-14-21)22(23,24)25/h9-10,13-14,18,20,28H,3-8,11-12,15-17H2,1-2H3/t18-,20-" . "OC1CCN(CC1)C(=O)C1CCC(CC1)CCN(C(=O)Oc1ccc(cc1)Cl)C" . "OC1CCN(CC1)C(=O)[C@@H]1CC[C@H](CC1)CCN(C(=O)Oc1ccc(cc1)Cl)C" . "PAHWPIPXJDOVHD-QAQDUYKDSA-N" . "InChI=1S/C22H31ClN2O4/c1-24(22(28)29-20-8-6-18(23)7-9-20)13-10-16-2-4-17(5-3-16)21(27)25-14-11-19(26)12-15-25/h6-9,16-17,19,26H,2-5,10-15H2,1H3/t16-,17-" . "C=CCN(CCCCCC1CCC(CC1)N(C(=O)Oc1ccc(cc1)C(F)(F)F)C)C" . "C=CCN(CCCCC[C@@H]1CC[C@H](CC1)N(C(=O)Oc1ccc(cc1)C(F)(F)F)C)C" . "QTPDFYJYCCDNKD-XUTJKUGGSA-N" . "InChI=1S/C24H35F3N2O2/c1-4-17-28(2)18-7-5-6-8-19-9-13-21(14-10-19)29(3)23(30)31-22-15-11-20(12-16-22)24(25,26)27/h4,11-12,15-16,19,21H,1,5-10,13-14,17-18H2,2-3H3/t19-,21-" . "OCCN(CCCC#CC1CCC(CC1)N(C(=O)Oc1ccc(cc1)Cl)C)CC" . "OCCN(CCCC#C[C@@H]1CC[C@H](CC1)N(C(=O)Oc1ccc(cc1)Cl)C)CC" . "UBLUCOHGNHINJX-XUTJKUGGSA-N" . "InChI=1S/C23H33ClN2O3/c1-3-26(17-18-27)16-6-4-5-7-19-8-12-21(13-9-19)25(2)23(28)29-22-14-10-20(24)11-15-22/h10-11,14-15,19,21,27H,3-4,6,8-9,12-13,16-18H2,1-2H3/t19-,21-" . "C=CCN(CCCCOc1ccc2c(c1)snc2c1ccc(cc1)Br)C" . "C=CCN(CCCCOc1ccc2c(c1)snc2c1ccc(cc1)Br)C" . "PDHRIPJKNGUCJP-UHFFFAOYSA-N" . "InChI=1S/C21H23BrN2OS/c1-3-12-24(2)13-4-5-14-25-18-10-11-19-20(15-18)26-23-21(19)16-6-8-17(22)9-7-16/h3,6-11,15H,1,4-5,12-14H2,2H3" . "OCCN(CCCCOc1ccc2c(c1)snc2c1ccc(cc1)Br)CC" . "OCCN(CCCCOc1ccc2c(c1)snc2c1ccc(cc1)Br)CC" . "XHOKJNHLSGAYJL-UHFFFAOYSA-N" . "InChI=1S/C21H25BrN2O2S/c1-2-24(12-13-25)11-3-4-14-26-18-9-10-19-20(15-18)27-23-21(19)16-5-7-17(22)8-6-16/h5-10,15,25H,2-4,11-14H2,1H3" . "C=CCN(CCCCCCOc1ccc(c(c1)F)C(=O)c1ccc(cc1)Br)C" . "C=CCN(CCCCCCOc1ccc(c(c1)F)C(=O)c1ccc(cc1)Br)C" . "CMYCCJYVZIMDFU-UHFFFAOYSA-N" . "InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3" . "C=CCN(Cc1ccc(cc1)c1ccc(cc1)C(=O)c1ccc(cc1)Br)C.Cl" . "C=CCN(Cc1ccc(cc1)c1ccc(cc1)C(=O)c1ccc(cc1)Br)C.Cl" . "MCMDJJBPNGLKKM-UHFFFAOYSA-N" . "InChI=1S/C24H22BrNO.ClH/c1-3-16-26(2)17-18-4-6-19(7-5-18)20-8-10-21(11-9-20)24(27)22-12-14-23(25)15-13-22;/h3-15H,1,16-17H2,2H3;1H" . "CCCCCCCCCCC1CCC2N(C1)CCCC2O" . "CCCCCCCCCC[C@@H]1CC[C@@H]2N(C1)CCC[C@H]2O" . "ASQOQJYHIYYTEJ-CEXWTWQISA-N" . "InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-11-17-13-14-18-19(21)12-10-15-20(18)16-17/h17-19,21H,2-16H2,1H3/t17-,18+,19-/m1/s1" . "CCCCCCCCCCC1CCC2N(C1)CCCC2O" . "CCCCCCCCCC[C@H]1CC[C@@H]2N(C1)CCC[C@H]2O" . "ASQOQJYHIYYTEJ-GBESFXJTSA-N" . "InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-11-17-13-14-18-19(21)12-10-15-20(18)16-17/h17-19,21H,2-16H2,1H3/t17-,18-,19+/m0/s1" . "OC(=O)COc1ccc(cc1)C(P(=O)(CCC(C(=O)O)N)O)O" . "OC(=O)COc1ccc(cc1)C(P(=O)(CC[C@@H](C(=O)O)N)O)O" . "BGOFVWMHMQISHB-NKUHCKNESA-N" . "InChI=1S/C13H18NO8P/c14-10(12(17)18)5-6-23(20,21)13(19)8-1-3-9(4-2-8)22-7-11(15)16/h1-4,10,13,19H,5-7,14H2,(H,15,16)(H,17,18)(H,20,21)/t10-,13?/m0/s1" . "OC(CC(CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1O" . "O[C@@H](C[C@H](CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1O" . "CZBPKFICAYVHHM-JWQCQUIFSA-N" . "InChI=1S/C33H35FN2O6/c1-20(2)31-30(33(42)35-26-10-6-7-11-27(26)39)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-24(37)18-25(38)19-28(40)41/h3-15,20,24-25,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41)/t24-,25-/m1/s1" . "O=C(N1CCCC(C1)c1cccc(c1)OC(C(=O)O)(C)C)Cc1ccc(cc1)C(C)C" . "O=C(N1CCC[C@H](C1)c1cccc(c1)OC(C(=O)O)(C)C)Cc1ccc(cc1)C(C)C" . "OISHBINQIFNIPV-JOCHJYFZSA-N" . "InChI=1S/C26H33NO4/c1-18(2)20-12-10-19(11-13-20)15-24(28)27-14-6-8-22(17-27)21-7-5-9-23(16-21)31-26(3,4)25(29)30/h5,7,9-13,16,18,22H,6,8,14-15,17H2,1-4H3,(H,29,30)/t22-/m1/s1" . "OCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)O)CC(C)C)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)C)C)CCC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(C)C)N)CCC(=O)O)CC(=O)N)CO " . "CC(C)C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O" . "IPOOBASOJFKEAK-GTJGPZIJSA-N" . "InChI=1S/C76H128N24O23/c1-37(2)31-42(77)60(108)89-46(22-24-58(105)106)64(112)93-48(34-57(79)104)66(114)95-50(35-101)67(115)96-51(36-102)72(120)98-28-12-18-53(98)69(117)91-45(21-23-56(78)103)61(109)87-41(8)70(118)97-27-11-17-52(97)68(116)86-40(7)59(107)88-43(15-9-25-84-75(80)81)62(110)90-44(16-10-26-85-76(82)83)63(111)92-47(32-38(3)4)65(113)94-49(33-39(5)6)71(119)99-29-13-19-54(99)73(121)100-30-14-20-55(100)74(122)123/h37-55,101-102H,9-36,77H2,1-8H3,(H2,78,103)(H2,79,104)(H,86,116)(H,87,109)(H,88,107)(H,89,108)(H,90,110)(H,91,117)(H,92,111)(H,93,112)(H,94,113)(H,95,114)(H,96,115)(H,105,106)(H,122,123)(H4,80,81,84)(H4,82,83,85)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/m0/s1" . "OC(=O)CCC(Cc1ccc(cc1)OCc1ccccc1)NC(=O)CCCCCCc1ccccc1" . "OC(=O)CC[C@@H](Cc1ccc(cc1)OCc1ccccc1)NC(=O)CCCCCCc1ccccc1" . "KWLUIYFCMHKLKY-NDEPHWFRSA-N" . "InChI=1S/C31H37NO4/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)23-26-17-20-29(21-18-26)36-24-27-14-8-4-9-15-27/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1" . "O=C(C1CCC(CC1)C(C)(C)C)Nc1ccc(cc1)OC(=O)NN1CCOCC1" . "O=C(C1CCC(CC1)C(C)(C)C)Nc1ccc(cc1)OC(=O)NN1CCOCC1" . "XSLDWDIQZLTRHG-UHFFFAOYSA-N" . "InChI=1S/C22H33N3O4/c1-22(2,3)17-6-4-16(5-7-17)20(26)23-18-8-10-19(11-9-18)29-21(27)24-25-12-14-28-15-13-25/h8-11,16-17H,4-7,12-15H2,1-3H3,(H,23,26)(H,24,27)" . "Cc1cccc(c1)NN=C(C(=O)C(F)(F)F)C(=O)c1cccs1" . "Cc1cccc(c1)N/N=C(/C(=O)C(F)(F)F)/C(=O)c1cccs1" . "YNUQHMHMYSUKFL-NDENLUEZSA-N" . "InChI=1S/C15H11F3N2O2S/c1-9-4-2-5-10(8-9)19-20-12(14(22)15(16,17)18)13(21)11-6-3-7-23-11/h2-8,19H,1H3/b20-12-" . "C=Cc1cc(O)cc2c1oc(n2)c1ccc(c(c1)F)O" . "C=Cc1cc(O)cc2c1oc(n2)c1ccc(c(c1)F)O" . "MQIMZDXIAHJKQP-UHFFFAOYSA-N" . "InChI=1S/C15H10FNO3/c1-2-8-5-10(18)7-12-14(8)20-15(17-12)9-3-4-13(19)11(16)6-9/h2-7,18-19H,1H2" . "COc1cccc2c1CCCC2CCCN1CCN(CC1)C1CCCCC1" . "COc1cccc2c1CCCC2CCCN1CCN(CC1)C1CCCCC1" . "PHRCDWVPTULQMT-UHFFFAOYSA-N" . "InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3" . "FCSC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F" . "FCSC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)F)F" . "MGNNYOODZCAHBA-GQKYHHCASA-N" . "InChI=1S/C22H27F3O4S/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)30-10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1" . "N#Cc1ccc(cc1C(F)(F)F)C1CCCCC1O" . "N#Cc1ccc(cc1C(F)(F)F)[C@H]1CCCC[C@H]1O" . "MENRRRXHFQYXDW-DGCLKSJQSA-N" . "InChI=1S/C14H14F3NO/c15-14(16,17)12-7-9(5-6-10(12)8-18)11-3-1-2-4-13(11)19/h5-7,11,13,19H,1-4H2/t11-,13-/m1/s1" . "O=C(Nc1ccccc1)Nc1cc(oc1C)S(=O)(=O)N1CCCCC1" . "O=C(Nc1ccccc1)Nc1cc(oc1C)S(=O)(=O)N1CCCCC1" . "LVOVQRPAMXCXTM-UHFFFAOYSA-N" . "InChI=1S/C17H21N3O4S/c1-13-15(19-17(21)18-14-8-4-2-5-9-14)12-16(24-13)25(22,23)20-10-6-3-7-11-20/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H2,18,19,21)" . "CCN(CCN(C(=O)Cn1c(SCc2ccc(cc2)F)nc(=O)c2c1CCC2)Cc1ccc(cc1)c1ccc(cc1)C(F)(F)F)CC" . "CCN(CCN(C(=O)Cn1c(SCc2ccc(cc2)F)nc(=O)c2c1CCC2)Cc1ccc(cc1)c1ccc(cc1)C(F)(F)F)CC" . "WDPFJWLDPVQCAJ-UHFFFAOYSA-N" . "InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3" . "O=N(=O)c1ccc(c(c1)S(=O)(=O)n1c(C)nc2c1cccc2)C" . "O=N(=O)c1ccc(c(c1)S(=O)(=O)n1c(C)nc2c1cccc2)C" . "ILVCPQPMRPHZSG-UHFFFAOYSA-N" . "InChI=1S/C15H13N3O4S/c1-10-7-8-12(18(19)20)9-15(10)23(21,22)17-11(2)16-13-5-3-4-6-14(13)17/h3-9H,1-2H3" . "O=C(N1CCC(=Cc2cccc(c2)Oc2ccc(cn2)C(F)(F)F)CC1)Nc1cccnn1" . "O=C(N1CCC(=Cc2cccc(c2)Oc2ccc(cn2)C(F)(F)F)CC1)Nc1cccnn1" . "BATCTBJIJJEPHM-UHFFFAOYSA-N" . "InChI=1S/C23H20F3N5O2/c24-23(25,26)18-6-7-21(27-15-18)33-19-4-1-3-17(14-19)13-16-8-11-31(12-9-16)22(32)29-20-5-2-10-28-30-20/h1-7,10,13-15H,8-9,11-12H2,(H,29,30,32)" . "COc1ccc2c3c1OC1C3(CCN(C2)C)C=CC(C1)O" . "COc1ccc2c3c1O[C@@H]1[C@@]3(CCN(C2)C)C=C[C@@H](C1)O" . "ASUTZQLVASHGKV-JDFRZJQESA-N" . "InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1" . "C#CCNC1CCc2c1cccc2" . "C#CCN[C@@H]1CCc2c1cccc2" . "RUOKEQAAGRXIBM-GFCCVEGCSA-N" . "InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1" . "O=CN1C(CNc2ccc(cc2)C(=O)NC(C(=O)O)CCC(=O)O)CNc2c1c(=O)nc([nH]2)N" . "O=CN1C(CNc2ccc(cc2)C(=O)N[C@H](C(=O)O)CCC(=O)O)CNc2c1c(=O)nc([nH]2)N" . "VVIAGPKUTFNRDU-ABLWVSNPSA-N" . "InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m0/s1" . "OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCC1CNc2c(N1C)c(=O)nc([nH]2)N" . "OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCC1CNc2c(N1C)c(=O)nc([nH]2)N" . "ZNOVTXRBGFNYRX-UHFFFAOYSA-N" . "InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)" . "OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)CCc1c[nH]c2c1c(=O)nc([nH]2)N" . "OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)CCc1c[nH]c2c1c(=O)nc([nH]2)N" . "WBXPDJSOTKVWSJ-UHFFFAOYSA-N" . "InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)" . "Nc1c2CCCCc2nc2c1cccc2" . "Nc1c2CCCCc2nc2c1cccc2" . "YLJREFDVOIBQDA-UHFFFAOYSA-N" . "InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)" . "NC(=Nc1ccccc1C)Nc1ccccc1C" . "NC(=Nc1ccccc1C)Nc1ccccc1C" . "OPNUROKCUBTKLF-UHFFFAOYSA-N" . "InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)" . "NC(=Nc1ccccc1C)Nc1ccccc1C" . "NC(=Nc1ccccc1C)Nc1ccccc1C" . "OPNUROKCUBTKLF-UHFFFAOYSA-N" . "InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)" . "CC(=CCN1CCC2(C(C1Cc1c2cc(cc1)O)C)C)C" . "CC(=CCN1CC[C@]2([C@@H]([C@@H]1Cc1c2c([3H])c(c(c1)[3H])O)C)C)C" . "VOKSWYLNZZRQPF-BXKNQVALSA-N" . "InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1/i6T,12T" . "CCC(C(=O)OC1CC2CCC(C1)N2C)Oc1ccc(cc1)Cl" . "CCC(C(=O)OC1CC2CCC(C1)N2C)Oc1ccc(cc1)Cl" . "WTPAXDRULIZRDJ-UHFFFAOYSA-N" . "InChI=1S/C18H24ClNO3/c1-3-17(22-15-8-4-12(19)5-9-15)18(21)23-16-10-13-6-7-14(11-16)20(13)2/h4-5,8-9,13-14,16-17H,3,6-7,10-11H2,1-2H3" . "C#CCN(CCCOc1ccc(cc1Cl)Cl)C" . "C#CCN(CCCOc1ccc(cc1Cl)Cl)C" . "BTFHLQRNAMSNLC-UHFFFAOYSA-N" . "InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3" . "CCCN(CCc1ccc(c(c1)OCCc1ccccc1)OC)CCC" . "CCCN(CCc1ccc(c(c1)OCCc1ccccc1)OC)CCC" . "YBLIQJGXRLZBCZ-UHFFFAOYSA-N" . "InChI=1S/C23H33NO2/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20/h6-12,19H,4-5,13-18H2,1-3H3" . "O=C(C1(CCCCC1)c1ccccc1)OCCN1CCOCC1" . "O=C(C1(CCCCC1)c1ccccc1)OCCN1CCOCC1" . "RQHKZUBCUZVZEF-UHFFFAOYSA-N" . "InChI=1S/C19H27NO3/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2" . "C=CCN1CCC2(C(C1Cc1c2cc(cc1)O)C)C" . "C=CCN1CC[C@]2([C@@H]([C@@H]1Cc1c2cc(cc1)O)C)C" . "LGQCVMYAEFTEFN-DQYPLSBCSA-N" . "InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3/t12-,16+,17+/m1/s1" . "COC(=O)C1(CC1CN1CCC(CC1)(O)c1ccccc1)c1ccc(cc1)C" . "COC(=O)C1(CC1CN1CCC(CC1)(O)c1ccccc1)c1ccc(cc1)C" . "BDSYECBSUUOPCT-UHFFFAOYSA-N" . "InChI=1S/C24H29NO3/c1-18-8-10-20(11-9-18)24(22(26)28-2)16-21(24)17-25-14-12-23(27,13-15-25)19-6-4-3-5-7-19/h3-11,21,27H,12-17H2,1-2H3" . "O=C(c1ccc(cc1)c1ccccn1)NCC=CCN1CCN(CC1)c1cccc(c1Cl)Cl" . "O=C(c1ccc(cc1)c1ccccn1)NC/C=C/CN1CCN(CC1)c1cccc(c1Cl)Cl" . "ZMYOIZHRXABMFZ-ONEGZZNKSA-N" . "InChI=1S/C26H26Cl2N4O/c27-22-6-5-8-24(25(22)28)32-18-16-31(17-19-32)15-4-3-14-30-26(33)21-11-9-20(10-12-21)23-7-1-2-13-29-23/h1-13H,14-19H2,(H,30,33)/b4-3+" . "O=C(c1ccc2c(c1)Cc1c2cccc1)NCCCCN1CCN(CC1)c1cccc(c1Cl)Cl" . "O=C(c1ccc2c(c1)Cc1c2cccc1)NCCCCN1CCN(CC1)c1cccc(c1Cl)Cl" . "YJPWVCIGSHWNON-UHFFFAOYSA-N" . "InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)" . "O=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C" . "O=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)/C)/C" . "NCYCYZXNIZJOKI-MKOSUFFBSA-N" . "InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8-,17-13+" . "OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C" . "OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)/C)/C" . "FPIPGXGPPPQFEQ-HWCYFHEPSA-N" . "InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13-" . "O=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C" . "O=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)/C)/C" . "NCYCYZXNIZJOKI-HWCYFHEPSA-N" . "InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13-" . "OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C" . "OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)/C)/C" . "FPIPGXGPPPQFEQ-IOUUIBBYSA-N" . "InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6-,12-11+,16-8+,17-13+" . "O=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C" . "O=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)/C)/C" . "NCYCYZXNIZJOKI-IOUUIBBYSA-N" . "InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6-,12-11+,16-8+,17-13+" . "O=C(c1ccccc1)Nc1sc2c(n1)ccc(c2)NC(=O)C12CC3CC(C2)CC(C1)C3" . "O=C(c1ccccc1)Nc1sc2c(n1)ccc(c2)NC(=O)C12CC3CC(C2)CC(C1)C3" . "MVSSJPGNLQPWSW-UHFFFAOYSA-N" . "InChI=1S/C25H25N3O2S/c29-22(18-4-2-1-3-5-18)28-24-27-20-7-6-19(11-21(20)31-24)26-23(30)25-12-15-8-16(13-25)10-17(9-15)14-25/h1-7,11,15-17H,8-10,12-14H2,(H,26,30)(H,27,28,29)" . "Ic1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2" . "[125I]c1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2" . "VLKJKVMACAESPP-MRDSYVANSA-N" . "InChI=1S/C23H19IN4O2/c1-28-19-13-6-5-12-18(19)20(15-8-3-2-4-9-15)26-21(22(28)29)27-23(30)25-17-11-7-10-16(24)14-17/h2-14,21H,1H3,(H2,25,27,30)/t21-/m0/s1/i24-2" . "Brc1ccc(c(c1)NS(=O)(=O)c1cccc2c1nccn2)C(=O)NC(c1ccc(cc1F)F)C" . "Brc1ccc(c(c1)NS(=O)(=O)c1cccc2c1nccn2)C(=O)N[C@@H](c1ccc(cc1F)F)C" . "TZKCPFFVWLRNRZ-CYBMUJFWSA-N" . "InChI=1S/C23H17BrF2N4O3S/c1-13(16-8-6-15(25)12-18(16)26)29-23(31)17-7-5-14(24)11-20(17)30-34(32,33)21-4-2-3-19-22(21)28-10-9-27-19/h2-13,30H,1H3,(H,29,31)/t13-/m1/s1" . "CCCCCCC(=O)CCCCCCC=CCC(C(C(C(=O)O)(CO)N)O)O" . "CCCCCCC(=O)CCCCCC/C=C/C[C@H]([C@@H]([C@](C(=O)O)(CO)N)O)O" . "ZZIKIHCNFWXKDY-GNTQXERDSA-N" . "InChI=1S/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t18-,19+,21+/m1/s1" . "O=CCc1ccc(cc1)O" . "O=CCc1ccc(cc1)O" . "IPRPPFIAVHPVJH-UHFFFAOYSA-N" . "InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2" . "c1ccc(cc1)C(c1ccccc1)OC1CCN(CC1)CCCc1nnn[nH]1" . "c1ccc(cc1)C(c1ccccc1)OC1CCN(CC1)CCCc1nnn[nH]1" . "TZQGXAHOROZEKN-UHFFFAOYSA-N" . "InChI=1S/C22H27N5O/c1-3-8-18(9-4-1)22(19-10-5-2-6-11-19)28-20-13-16-27(17-14-20)15-7-12-21-23-25-26-24-21/h1-6,8-11,20,22H,7,12-17H2,(H,23,24,25,26)" . "OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1" . "OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1" . "OZWKMVRBQXNZKK-UHFFFAOYSA-N" . "InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)" . "CCC(C(C(=O)N1CCC2(CC1)C=Cc1c2cccc1)NC(=O)C(NC(=O)c1ccno1)CC1CCCCC1)C" . "CC[C@H]([C@@H](C(=O)N1CCC2(CC1)C=Cc1c2cccc1)NC(=O)[C@@H](NC(=O)c1ccno1)CC1CCCCC1)C" . "DCUDDCGUKZLQLN-ZEZZXZOMSA-N" . "InChI=1S/C32H42N4O4/c1-3-22(2)28(31(39)36-19-16-32(17-20-36)15-13-24-11-7-8-12-25(24)32)35-29(37)26(21-23-9-5-4-6-10-23)34-30(38)27-14-18-33-40-27/h7-8,11-15,18,22-23,26,28H,3-6,9-10,16-17,19-21H2,1-2H3,(H,34,38)(H,35,37)/t22-,26+,28+/m1/s1" . "NCC1CCN(CC1)C(=O)c1cccc(c1)CNC(=O)C(C(CC)C)NC(=O)C(NC(=O)c1ccno1)CC1CCCCC1" . "NCC1CCN(CC1)C(=O)c1cccc(c1)CNC(=O)[C@H](C(CC)C)NC(=O)[C@@H](NC(=O)c1ccno1)CC1CCCCC1" . "HXLQLJFWNKMGET-KCPQSXFMSA-N" . "InChI=1S/C33H48N6O5/c1-3-22(2)29(38-30(40)27(19-23-8-5-4-6-9-23)37-31(41)28-12-15-36-44-28)32(42)35-21-25-10-7-11-26(18-25)33(43)39-16-13-24(20-34)14-17-39/h7,10-12,15,18,22-24,27,29H,3-6,8-9,13-14,16-17,19-21,34H2,1-2H3,(H,35,42)(H,37,41)(H,38,40)/t22?,27-,29-/m0/s1" . "CCCCCCCCCCCCCCCC(=O)C(CO)N" . "CCCCCCCCCCCCCCCC(=O)[C@H](CO)N" . "KBUNOSOGGAARKZ-KRWDZBQOSA-N" . "InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17,20H,2-16,19H2,1H3/t17-/m0/s1" . "Nc1nn2c(n1)c(F)cc(c2)c1cncc(c1)S(=O)(=O)NC(C)(C)C" . "Nc1nn2c(n1)c(F)cc(c2)c1cncc(c1)S(=O)(=O)NC(C)(C)C" . "RXRZPHQBTHQXSV-UHFFFAOYSA-N" . "InChI=1S/C15H17FN6O2S/c1-15(2,3)21-25(23,24)11-4-9(6-18-7-11)10-5-12(16)13-19-14(17)20-22(13)8-10/h4-8,21H,1-3H3,(H2,17,20)" . "OC(=O)C(Cc1cc(I)c(c(c1)I)O)N" . "OC(=O)[C@H](Cc1cc(I)c(c(c1)I)O)N" . "NYPYHUZRZVSYKL-ZETCQYMHSA-N" . "InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1" . "CCCc1cc(=O)[nH]c(=S)[nH]1" . "CCCc1cc(=O)[nH]c(=S)[nH]1" . "KNAHARQHSZJURB-UHFFFAOYSA-N" . "InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)" . "Cn1ccnc1S" . "Cn1ccnc1S" . "PMRYVIKBURPHAH-UHFFFAOYSA-N" . "InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)" . "OC(=O)C(Cc1ccc(c(c1)I)Oc1ccc(c(c1)I)O)N" . "OC(=O)C(Cc1ccc(c(c1)I)Oc1ccc(c(c1)I)O)N" . "CPCJBZABTUOGNM-UHFFFAOYSA-N" . "InChI=1S/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)" . "CCN(C(=O)C(=Cc1cc(O)c(c(c1)[N+](=O)[O-])O)C#N)CC" . "CCN(C(=O)/C(=C/c1cc(O)c(c(c1)[N+](=O)[O-])O)/C#N)CC" . "JRURYQJSLYLRLN-BJMVGYQFSA-N" . "InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+" . "Cc1ccc2c(c1)c1CCCC3c1n2CCN3" . "Cc1ccc2c(c1)c1CCCC3c1n2CCN3" . "IWVRVEIKCBFZNF-UHFFFAOYSA-N" . "InChI=1S/C15H18N2/c1-10-5-6-14-12(9-10)11-3-2-4-13-15(11)17(14)8-7-16-13/h5-6,9,13,16H,2-4,7-8H2,1H3" . "COCC1CN(C(=O)O1)c1ccc(cc1)OCCC(C(F)(F)F)O" . "COC[C@H]1CN(C(=O)O1)c1ccc(cc1)OCC[C@H](C(F)(F)F)O" . "IALVDLPLCLFBCF-CHWSQXEVSA-N" . "InChI=1S/C15H18F3NO5/c1-22-9-12-8-19(14(21)24-12)10-2-4-11(5-3-10)23-7-6-13(20)15(16,17)18/h2-5,12-13,20H,6-9H2,1H3/t12-,13-/m1/s1" . "NCc1c[nH]c(=S)n1C1CCc2c(C1)cc(cc2F)F" . "NCc1c[nH]c(=S)n1[C@H]1CCc2c(C1)cc(cc2F)F" . "YZZVIKDAOTXDEB-JTQLQIEISA-N" . "InChI=1S/C14H15F2N3S/c15-9-3-8-4-10(1-2-12(8)13(16)5-9)19-11(6-17)7-18-14(19)20/h3,5,7,10H,1-2,4,6,17H2,(H,18,20)/t10-/m0/s1" . "Oc1ccc(cc1)CC(=O)C(=O)O" . "Oc1ccc(cc1)CC(=O)C(=O)O" . "KKADPXVIOXHVKN-UHFFFAOYSA-N" . "InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)" . "[NH3+]CCOP(=O)([O-])[O-]" . "[NH3+]CCOP(=O)([O-])[O-]" . "SUHOOTKUPISOBE-UHFFFAOYSA-M" . "InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)/p-1" . "CCCCCCCCc1ccc(cc1)CCC(COC)(CO)N" . "CCCCCCCCc1ccc(cc1)CC[C@](COC)(CO)N" . "YEYZALQTJCVXIJ-HXUWFJFHSA-N" . "InChI=1S/C20H35NO2/c1-3-4-5-6-7-8-9-18-10-12-19(13-11-18)14-15-20(21,16-22)17-23-2/h10-13,22H,3-9,14-17,21H2,1-2H3/t20-/m1/s1" . "Clc1ccc(cc1)C12CC3CC(C1)CC(C2)(C3)C(=O)NCc1ccncc1" . "Clc1ccc(cc1)C12CC3CC(C1)CC(C2)(C3)C(=O)NCc1ccncc1" . "CAOTVXGYTWCKQE-UHFFFAOYSA-N" . "InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)" . "OCC1CCCN1Cc1ccc(cc1)COc1cc(C)cc(c1)CS(=O)(=O)c1ccccc1" . "OC[C@H]1CCCN1Cc1ccc(cc1)COc1cc(C)cc(c1)CS(=O)(=O)c1ccccc1" . "NPUXORBZRBIOMQ-RUZDIDTESA-N" . "InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1" . "CCCCCc1ccc(cc1)C=CC(C(NC)CO)O" . "CCCCCc1ccc(cc1)/C=C/[C@@H]([C@H](NC)CO)O" . "JYEXUQKROPHSEF-SFDDJJRUSA-N" . "InChI=1S/C17H27NO2/c1-3-4-5-6-14-7-9-15(10-8-14)11-12-17(20)16(13-19)18-2/h7-12,16-20H,3-6,13H2,1-2H3/b12-11+/t16-,17+/m1/s1" . "CCCCCCCCCCCCCCCC(C(COP(=O)([O-])[O-])[NH3+])O" . "CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)([O-])[O-])[NH3+])O" . "YHEDRJPUIRMZMP-ZWKOTPCHSA-M" . "InChI=1S/C18H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h17-18,20H,2-16,19H2,1H3,(H2,21,22,23)/p-1/t17-,18+/m0/s1" . "O=CC(C(=O)[O-])C" . "O=CC(C(=O)[O-])C" . "VOKUMXABRRXHAR-UHFFFAOYSA-M" . "InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)/p-1" . "[O-]C(=O)C(C[NH3+])C" . "[O-]C(=O)[C@H](C[NH3+])C" . "QCHPKSFMDHPSNR-VKHMYHEASA-N" . "InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1" . "O=CCCC(=O)[O-]" . "O=CCCC(=O)[O-]" . "UIUJIQZEACWQSV-UHFFFAOYSA-M" . "InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)/p-1" . "NCCCC=O" . "NCCCC=O" . "DZQLQEYLEYWJIB-UHFFFAOYSA-N" . "InChI=1S/C4H9NO/c5-3-1-2-4-6/h4H,1-3,5H2" . "[O-]C(=O)CCC[N+](C)(C)C" . "[O-]C(=O)CCC[N+](C)(C)C" . "JHPNVNIEXXLNTR-UHFFFAOYSA-N" . "InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3" . "O=CCCC[N+](C)(C)C" . "O=CCCC[N+](C)(C)C" . "OITBLCDWXSXNCN-UHFFFAOYSA-N" . "InChI=1S/C7H16NO/c1-8(2,3)6-4-5-7-9/h7H,4-6H2,1-3H3/q+1" . "CCN(C(=O)Oc1cccc(c1)C(N(C)C)C)C" . "CCN(C(=O)Oc1cccc(c1)[C@@H](N(C)C)C)C" . "XSVMFMHYUFZWBK-NSHDSACASA-N" . "InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1" . "O=C(N(C)C)Oc1cc(cc(c1)OC(=O)N(C)C)C(CNC(C)(C)C)O" . "O=C(N(C)C)Oc1cc(cc(c1)OC(=O)N(C)C)C(CNC(C)(C)C)O" . "ANZXOIAKUNOVQU-UHFFFAOYSA-N" . "InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3" . "C=CC[N+](c1ccc(cc1)CCC(=O)CCc1ccc(cc1)[N+](CC=C)(C)C)(C)C" . "C=CC[N+](c1ccc(cc1)CCC(=O)CCc1ccc(cc1)[N+](CC=C)(C)C)(C)C" . "ZAEXMNKDGJNLTA-UHFFFAOYSA-N" . "InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2" . "COc1cc2c(cc1OC)CC(C2=O)CC1CCN(CC1)Cc1ccccc1" . "COc1cc2c(cc1OC)CC(C2=O)CC1CCN(CC1)Cc1ccccc1" . "ADEBPBSSDYVVLD-UHFFFAOYSA-N" . "InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3" . "CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C1N2C)C" . "CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C" . "PIJVFDBKTWXHHD-HIFRSBDPSA-N" . "InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1" . "OCC(C(C(Cn1c2cc(C)c(cc2nc2c1nc(=O)[nH]c2=O)C)O)O)O" . "OC[C@H]([C@H]([C@H](Cn1c2cc(C)c(cc2nc2c1nc(=O)[nH]c2=O)C)O)O)O" . "AUNGANRZJHBGPY-SCRDCRAPSA-N" . "InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1" . "OC(=O)CC1NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(N(C(=O)C(NC1=O)Cc1ccccc1)C)C(C)C" . "OC(=O)C[C@@H]1NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N(C(=O)[C@H](NC1=O)Cc1ccccc1)C)C(C)C" . "AMLYAMJWYAIXIA-VWNVYAMZSA-N" . "InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1" . "NCCCCC(C(=O)O)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(Cc1nc[nH]c1)N)CO)CC(=O)O)Cc1nc[nH]c1 " . "CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)O" . "MBZSEGOTVVCKNO-KESUXUJOSA-N" . "InChI=1S/C30H47N11O10/c1-15(2)24(29(49)39-20(8-17-11-34-14-36-17)26(46)37-19(30(50)51)5-3-4-6-31)41-27(47)21(9-23(43)44)38-28(48)22(12-42)40-25(45)18(32)7-16-10-33-13-35-16/h10-11,13-15,18-22,24,42H,3-9,12,31-32H2,1-2H3,(H,33,35)(H,34,36)(H,37,46)(H,38,48)(H,39,49)(H,40,45)(H,41,47)(H,43,44)(H,50,51)/t18-,19-,20-,21-,22-,24-/m0/s1" . "O=C(N1CCN(CC1)C(=O)C)C=Cc1ccc(c(c1)N(=O)=O)Sc1ccccc1C(C)C" . "O=C(N1CCN(CC1)C(=O)C)/C=C/c1ccc(c(c1)N(=O)=O)Sc1ccccc1C(C)C" . "HTGGAYLWTDOFDK-PKNBQFBNSA-N" . "InChI=1S/C24H27N3O4S/c1-17(2)20-6-4-5-7-22(20)32-23-10-8-19(16-21(23)27(30)31)9-11-24(29)26-14-12-25(13-15-26)18(3)28/h4-11,16-17H,12-15H2,1-3H3/b11-9+" . "O=C(Nc1ccccc1C)Nc1ccc(cc1)CC(=O)N1CCOCC1C(=O)N1CCC(CC1)CC(=O)O" . "O=C(Nc1ccccc1C)Nc1ccc(cc1)CC(=O)N1CCOC[C@H]1C(=O)N1CCC(CC1)CC(=O)O" . "ITXAAOWFOURIHK-DEOSSOPVSA-N" . "InChI=1S/C28H34N4O6/c1-19-4-2-3-5-23(19)30-28(37)29-22-8-6-20(7-9-22)16-25(33)32-14-15-38-18-24(32)27(36)31-12-10-21(11-13-31)17-26(34)35/h2-9,21,24H,10-18H2,1H3,(H,34,35)(H2,29,30,37)/t24-/m0/s1" . "CC(CC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)O)C(C)C)CC(=O)O)NC(=O)Cc1ccc(cc1)NC(=O)Nc1ccccc1C)C" . "CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C)CC(=O)O)NC(=O)Cc1ccc(cc1)NC(=O)Nc1ccccc1C)C" . "NVVGCQABIHSJSQ-KFZSMJGVSA-N" . "InChI=1S/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51)/t26-,27-,28-,31-/m0/s1" . "SCC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)CCCN=C(N)N" . "SC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)CCCN=C(N)N" . "BIEZITROCMXFHL-QAETUUGQSA-N" . "InChI=1S/C24H36N8O9S/c25-14(8-12-3-5-13(33)6-4-12)20(37)31-15(2-1-7-28-24(26)27)21(38)29-10-18(34)30-16(9-19(35)36)22(39)32-17(11-42)23(40)41/h3-6,14-17,33,42H,1-2,7-11,25H2,(H,29,38)(H,30,34)(H,31,37)(H,32,39)(H,35,36)(H,40,41)(H4,26,27,28)/t14-,15-,16-,17-/m0/s1" . "OC(=O)CN1CCC(CC1)N1CCN(CC1)c1ccc(cc1)C(=N)N" . "OC(=O)CN1CCC(CC1)N1CCN(CC1)c1ccc(cc1)C(=N)N" . "QGEGSJUSWLLZLH-UHFFFAOYSA-N" . "InChI=1S/C18H27N5O2/c19-18(20)14-1-3-15(4-2-14)22-9-11-23(12-10-22)16-5-7-21(8-6-16)13-17(24)25/h1-4,16H,5-13H2,(H3,19,20)(H,24,25)" . "CCCCS(=O)(=O)NC(C(=O)O)Cc1ccc(cc1)OCCCCC1CCNCC1" . "CCCCS(=O)(=O)N[C@H](C(=O)O)Cc1ccc(cc1)OCCCCC1CCNCC1" . "COKMIXFXJJXBQG-NRFANRHFSA-N" . "InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1" . "OC(=O)CC1NC(=O)CNC(=O)C(CCCCNC(=N)N)NC(=O)CCSSCC(NC(=O)C2N(C(=O)C(NC1=O)Cc1c[nH]c3c1cccc3)CCC2)C(=O)N" . "OC(=O)C[C@@H]1NC(=O)CNC(=O)[C@H](CCCCNC(=N)N)NC(=O)CCSSC[C@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC1=O)Cc1c[nH]c3c1cccc3)CCC2)C(=O)N" . "CZKPOZZJODAYPZ-LROMGURASA-N" . "InChI=1S/C35H49N11O9S2/c36-30(51)25-18-57-56-13-10-27(47)42-22(8-3-4-11-39-35(37)38)31(52)41-17-28(48)43-23(15-29(49)50)32(53)44-24(14-19-16-40-21-7-2-1-6-20(19)21)34(55)46-12-5-9-26(46)33(54)45-25/h1-2,6-7,16,22-26,40H,3-5,8-15,17-18H2,(H2,36,51)(H,41,52)(H,42,47)(H,43,48)(H,44,53)(H,45,54)(H,49,50)(H4,37,38,39)/t22-,23-,24-,25-,26-/m0/s1" . "O=C(NCC(C(=O)O)NC(=O)C1N(CSC1(C)C)S(=O)(=O)c1ccccc1)NCc1ccccc1" . "O=C(NC[C@@H](C(=O)O)NC(=O)[C@@H]1N(CSC1(C)C)S(=O)(=O)c1ccccc1)NCc1ccccc1" . "XKLHCUGVLCGKKX-OALUTQOASA-N" . "InChI=1S/C23H28N4O6S2/c1-23(2)19(27(15-34-23)35(32,33)17-11-7-4-8-12-17)20(28)26-18(21(29)30)14-25-22(31)24-13-16-9-5-3-6-10-16/h3-12,18-19H,13-15H2,1-2H3,(H,26,28)(H,29,30)(H2,24,25,31)/t18-,19-/m0/s1" . "O=Cc1ccccc1SCCCn1c(=O)c2cccc3c2c(c1=O)ccc3" . "O=Cc1ccccc1SCCCn1c(=O)c2cccc3c2c(c1=O)ccc3" . "IYUOFUODBWFCBK-UHFFFAOYSA-N" . "InChI=1S/C22H17NO3S/c24-14-16-6-1-2-11-19(16)27-13-5-12-23-21(25)17-9-3-7-15-8-4-10-18(20(15)17)22(23)26/h1-4,6-11,14H,5,12-13H2" . "O=CC=CC(=O)Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)NC(=O)C=CC=O" . "O=C/C=C/C(=O)Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)NC(=O)/C=C/C=O" . "BFNFDDZOFCRJTI-PORYWJCVSA-N" . "InChI=1S/C26H20N2O6/c29-16-2-6-25(31)27-19-8-12-21(13-9-19)33-23-4-1-5-24(18-23)34-22-14-10-20(11-15-22)28-26(32)7-3-17-30/h1-18H,(H,27,31)(H,28,32)/b6-2-,7-3-" . "Oc1cccc(c1)C1N(c2ccc(cc2)C(=O)O)C(=O)c2c1c(n[nH]2)c1ccc(cc1)C" . "Oc1cccc(c1)C1N(c2ccc(cc2)C(=O)O)C(=O)c2c1c(n[nH]2)c1ccc(cc1)C" . "VGUQVYZXABOXCX-UHFFFAOYSA-N" . "InChI=1S/C25H19N3O4/c1-14-5-7-15(8-6-14)21-20-22(27-26-21)24(30)28(18-11-9-16(10-12-18)25(31)32)23(20)17-3-2-4-19(29)13-17/h2-13,23,29H,1H3,(H,26,27)(H,31,32)" . "CC(C(=O)N1CC2(CC1C(=O)O)SCCS2)NC(C(=O)O)CCc1ccccc1" . "C[C@@H](C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2)N[C@H](C(=O)O)CCc1ccccc1" . "FMMDBLMCSDRUPA-BPUTZDHNSA-N" . "InChI=1S/C20H26N2O5S2/c1-13(21-15(18(24)25)8-7-14-5-3-2-4-6-14)17(23)22-12-20(28-9-10-29-20)11-16(22)19(26)27/h2-6,13,15-16,21H,7-12H2,1H3,(H,24,25)(H,26,27)/t13-,15-,16-/m0/s1" . "CCOC(=O)C(NC(C(=O)N1CC2(CC1C(=O)O)SCCS2)C)CCc1ccccc1" . "CCOC(=O)[C@@H](N[C@H](C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2)C)CCc1ccccc1" . "HRWCVUIFMSZDJS-SZMVWBNQSA-N" . "InChI=1S/C22H30N2O5S2/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27)/t15-,17-,18-/m0/s1" . "COc1cc2CC(C(=O)O)N(Cc2cc1OC)C(=O)C(NC(C(=O)O)CCc1ccccc1)C" . "COc1cc2C[C@@H](C(=O)O)N(Cc2cc1OC)C(=O)[C@@H](N[C@H](C(=O)O)CCc1ccccc1)C" . "CMPAGYDKASJORH-YSSFQJQWSA-N" . "InChI=1S/C25H30N2O7/c1-15(26-19(24(29)30)10-9-16-7-5-4-6-8-16)23(28)27-14-18-13-22(34-3)21(33-2)12-17(18)11-20(27)25(31)32/h4-8,12-13,15,19-20,26H,9-11,14H2,1-3H3,(H,29,30)(H,31,32)/t15-,19-,20-/m0/s1" . "CCOC(=O)C(NC(C(=O)N1Cc2cc(OC)c(cc2CC1C(=O)O)OC)C)CCc1ccccc1" . "CCOC(=O)[C@@H](N[C@H](C(=O)N1Cc2cc(OC)c(cc2C[C@H]1C(=O)O)OC)C)CCc1ccccc1" . "UWWDHYUMIORJTA-HSQYWUDLSA-N" . "InChI=1S/C27H34N2O7/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18)28-17(2)25(30)29-16-20-15-24(35-4)23(34-3)14-19(20)13-22(29)26(31)32/h6-10,14-15,17,21-22,28H,5,11-13,16H2,1-4H3,(H,31,32)/t17-,21-,22-/m0/s1" . "NCCCC[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)CNC(=O)CNC(=O)[C@H](Cc4ccc(cc4)O)NC(=O)[C@@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC3=O)CCCNC(=N)N)C)CCCCN)CCCNC(=N)N)CC(=O)N)CC(=O)N)Cc3ccccc3)CCCCN)CO)C)CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3[C@H](C(=O)N4[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N5[C@H](C(=O)N2)CCC5)[C@H](O)C)Cc2ccc(cc2)O)CCC4)CCC3)CCC(=O)O)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)N)CC(=O)O)Cc2ccccc2)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)O)C)[C@H](O)C)CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C)CCCNC(=N)N)[C@H](CC)C)[C@H](CC)C)CCCNC(=N)N)Cc1ccc(cc1)O)Cc1ccccc1)Cc1ccc(cc1)O)CC(=O)N)C)CCCCN)C)[C@H](O)C)C(C)C" . "CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N4CCC[C@H]4C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N4CCC[C@H]4C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)CC(=O)O)CCC(=O)O)C)CO)CCCCN)Cc3ccccc3)CC(=O)N)CC(=O)N)CCCNC(=N)N)CCCCN)C)CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CCC(=O)N)[C@@H](C)O)Cc2ccccc2)C(C)C)Cc2ccc(cc2)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCNC(=N)N)C)CCCCN)[C@@H](C)O)Cc1ccc(cc1)O)CCC(=O)O)CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)CCCNC(=N)N)CCSC)CC(C)C)C)CCCCN)C)CC(=O)N)Cc1ccc(cc1)O)Cc1ccccc1)Cc1ccc(cc1)O)CCCNC(=N)N)[C@@H](C)CC" . "ZPNFWUPYTFPOJU-LPYSRVMUSA-N" . "S=C=NCCCCS(=O)C" . "S=C=NCCCCS(=O)C" . "SUVMJBTUFCVSAD-UHFFFAOYSA-N" . "InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3" . "CC(C(C(=O)O)NS(=O)(=O)c1ccc2c(c1)oc1c2cc(cc1)c1ccc(o1)C)C" . "CC([C@@H](C(=O)O)NS(=O)(=O)c1ccc2c(c1)oc1c2cc(cc1)c1ccc(o1)C)C" . "LLJREHOWNIBILL-NRFANRHFSA-N" . "InChI=1S/C22H21NO6S/c1-12(2)21(22(24)25)23-30(26,27)15-6-7-16-17-10-14(18-8-4-13(3)28-18)5-9-19(17)29-20(16)11-15/h4-12,21,23H,1-3H3,(H,24,25)/t21-/m0/s1" . "CCC(CNC(=O)C(C(C(NC(=O)C(NC(=O)C(NS(=O)(=O)N1CCOCC1)Cc1ccccc1)CC=C)CC1CCCCC1)O)(F)F)C" . "CC[C@@H](CNC(=O)C([C@@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NS(=O)(=O)N1CCOCC1)Cc1ccccc1)CC=C)CC1CCCCC1)O)(F)F)C" . "SXQPECMJHHMDFO-DUGYJJFCSA-N" . "InChI=1S/C34H53F2N5O7S/c1-4-12-27(38-32(44)29(22-26-15-10-7-11-16-26)40-49(46,47)41-17-19-48-20-18-41)31(43)39-28(21-25-13-8-6-9-14-25)30(42)34(35,36)33(45)37-23-24(3)5-2/h4,7,10-11,15-16,24-25,27-30,40,42H,1,5-6,8-9,12-14,17-23H2,2-3H3,(H,37,45)(H,38,44)(H,39,43)/t24-,27-,28-,29-,30+/m0/s1" . "O=C(C1CC1c1ccccc1)N1C2CCCCC2CC1C(=O)N1CSCC1" . "O=C([C@@H]1C[C@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CSCC1" . "NXSXRIHXEQSYEZ-KNJMJIDISA-N" . "InChI=1S/C22H28N2O2S/c25-21(18-13-17(18)15-6-2-1-3-7-15)24-19-9-5-4-8-16(19)12-20(24)22(26)23-10-11-27-14-23/h1-3,6-7,16-20H,4-5,8-14H2/t16-,17-,18+,19-,20-/m0/s1" . "NC(=NCCCC(C(=O)NCc1ccc(cc1)C(=N)N)NC(=O)C(C(C)C)NC(=O)C(NC(=O)Cc1ccccc1)CCCN=C(N)N)N" . "NC(=NCCC[C@@H](C(=O)NCc1ccc(cc1)C(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)Cc1ccccc1)CCCN=C(N)N)N" . "YGMAIAXBJLVVLI-KLJDGLGGSA-N" . "InChI=1S/C33H50N12O4/c1-20(2)27(45-30(48)25(11-7-17-41-33(38)39)43-26(46)18-21-8-4-3-5-9-21)31(49)44-24(10-6-16-40-32(36)37)29(47)42-19-22-12-14-23(15-13-22)28(34)35/h3-5,8-9,12-15,20,24-25,27H,6-7,10-11,16-19H2,1-2H3,(H3,34,35)(H,42,47)(H,43,46)(H,44,49)(H,45,48)(H4,36,37,40)(H4,38,39,41)/t24-,25-,27-/m0/s1" . "N#CCc1ccc(cc1OC)c1nc2c(o1)cccc2" . "N#CCc1ccc(cc1OC)c1nc2c(o1)cccc2" . "LWSOZPNJUFEDJU-UHFFFAOYSA-N" . "InChI=1S/C16H12N2O2/c1-19-15-10-12(7-6-11(15)8-9-17)16-18-13-4-2-3-5-14(13)20-16/h2-7,10H,8H2,1H3" . "CN(C1CCCc2c1c(O)no2)CCC=C(c1sccc1C)c1sccc1C" . "CN([C@H]1CCCc2c1c(O)no2)CCC=C(c1sccc1C)c1sccc1C" . "CUESOMOCKVRNIW-KRWDZBQOSA-N" . "InChI=1S/C22H26N2O2S2/c1-14-9-12-27-20(14)16(21-15(2)10-13-28-21)6-5-11-24(3)17-7-4-8-18-19(17)22(25)23-26-18/h6,9-10,12-13,17H,4-5,7-8,11H2,1-3H3,(H,23,25)/t17-/m0/s1" . "OP(=O)(C(c1cccc2c1cccc2)C(=O)c1cc2ccccc2cc1C(=O)N(C1CCN(CC1)C(=O)c1ccc2c(c1)cccc2)C)O" . "OP(=O)(C(c1cccc2c1cccc2)C(=O)c1cc2ccccc2cc1C(=O)N(C1CCN(CC1)C(=O)c1ccc2c(c1)cccc2)C)O" . "XUJQPDQURBZEGJ-UHFFFAOYSA-N" . "InChI=1S/C40H35N2O6P/c1-41(32-19-21-42(22-20-32)39(44)31-18-17-26-9-2-3-11-28(26)23-31)40(45)36-25-30-13-5-4-12-29(30)24-35(36)37(43)38(49(46,47)48)34-16-8-14-27-10-6-7-15-33(27)34/h2-18,23-25,32,38H,19-22H2,1H3,(H2,46,47,48)" . "O=C(NC(P(=O)(CC(C(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)Cc1ccccc1)O)Cc1ccccc1)OCc1ccccc1" . "O=C(N[C@H](P(=O)(CC(C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)Cc1ccccc1)O)Cc1ccccc1)OCc1ccccc1" . "WWTBZEKOSBFBEM-SPWPXUSOSA-N" . "InChI=1S/C37H38N3O7P/c41-35(39-33(36(42)43)22-29-23-38-32-19-11-10-18-31(29)32)30(20-26-12-4-1-5-13-26)25-48(45,46)34(21-27-14-6-2-7-15-27)40-37(44)47-24-28-16-8-3-9-17-28/h1-19,23,30,33-34,38H,20-22,24-25H2,(H,39,41)(H,40,44)(H,42,43)(H,45,46)/t30?,33-,34+/m0/s1" . "CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)Cc1ccc(cc1)Cl" . "CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)Cc1ccc(cc1)Cl" . "JQZJACVYMPKVDS-UHFFFAOYSA-N" . "InChI=1S/C25H27ClN6O4S/c1-2-11-32-24(33)21-23(29-25(32)34)28-22(27-21)18-5-9-20(10-6-18)37(35,36)31-14-12-30(13-15-31)16-17-3-7-19(26)8-4-17/h3-10H,2,11-16H2,1H3,(H,27,28)(H,29,34)" . "ClCC1OC(C(C1O)O)n1cnc2c1ncnc2NC1CC2CC1CC2" . "ClCC1OC(C(C1O)O)n1cnc2c1ncnc2NC1CC2CC1CC2" . "PVJGDYDNVNCGBT-UHFFFAOYSA-N" . "InChI=1S/C17H22ClN5O3/c18-5-11-13(24)14(25)17(26-11)23-7-21-12-15(19-6-20-16(12)23)22-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,24-25H,1-5H2,(H,19,20,22)" . "CCCSc1nc2CCSc2c(=O)n1c1ccccc1" . "CCCSc1nc2CCSc2c(=O)n1c1ccccc1" . "YHNDCCKFNWDQGW-UHFFFAOYSA-N" . "InChI=1S/C15H16N2OS2/c1-2-9-20-15-16-12-8-10-19-13(12)14(18)17(15)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3" . "COCCn1nc2c(c1CC)[nH]c(nc2=O)c1cc(cnc1OCC)S(=O)(=O)N1CCN(CC1)CC" . "COCCn1nc2c(c1CC)[nH]c(nc2=O)c1cc(cnc1OCC)S(=O)(=O)N1CCN(CC1)CC" . "YPFZMBHKIVDSNR-UHFFFAOYSA-N" . "InChI=1S/C23H33N7O5S/c1-5-18-19-20(27-30(18)12-13-34-4)22(31)26-21(25-19)17-14-16(15-24-23(17)35-7-3)36(32,33)29-10-8-28(6-2)9-11-29/h14-15H,5-13H2,1-4H3,(H,25,26,31)" . "O=N(=O)c1cccc(c1)n1c(=O)n(Cc2ccncc2)c(=O)c2c1nccc2" . "O=N(=O)c1cccc(c1)n1c(=O)n(Cc2ccncc2)c(=O)c2c1nccc2" . "YLHRMVRLIOIWTO-UHFFFAOYSA-N" . "InChI=1S/C19H13N5O4/c25-18-16-5-2-8-21-17(16)23(14-3-1-4-15(11-14)24(27)28)19(26)22(18)12-13-6-9-20-10-7-13/h1-11H,12H2" . "Cc1cc(C)c(c(c1)C)S(=O)(=O)n1cc(cc1C)C" . "Cc1cc(C)c(c(c1)C)S(=O)(=O)n1cc(cc1C)C" . "AFZWZVLPIMHLSE-UHFFFAOYSA-N" . "InChI=1S/C15H19NO2S/c1-10-6-12(3)15(13(4)7-10)19(17,18)16-9-11(2)8-14(16)5/h6-9H,1-5H3" . "CC(CC(C(=O)N1CCCC1P(=O)(CC(C(=O)O)Cc1ccccc1)O)NC(=O)C)C" . "CC(C[C@@H](C(=O)N1CCC[C@@H]1P(=O)(C[C@H](C(=O)O)Cc1ccccc1)O)NC(=O)C)C" . "DGMLSHVZZKUDPN-AABGKKOBSA-N" . "InChI=1S/C22H33N2O6P/c1-15(2)12-19(23-16(3)25)21(26)24-11-7-10-20(24)31(29,30)14-18(22(27)28)13-17-8-5-4-6-9-17/h4-6,8-9,15,18-20H,7,10-14H2,1-3H3,(H,23,25)(H,27,28)(H,29,30)/t18-,19+,20+/m1/s1" . "Brc1ccc2c(c1)n1c(CO2)noc1=O" . "Brc1ccc2c(c1)n1c(CO2)noc1=O" . "MUDRLQRJCGJJTB-UHFFFAOYSA-N" . "InChI=1S/C9H5BrN2O3/c10-5-1-2-7-6(3-5)12-8(4-14-7)11-15-9(12)13/h1-3H,4H2" . "COC(=O)c1[nH]nc(n1)NC(=O)c1ccc(cc1)C(C)(C)C" . "COC(=O)c1[nH]nc(n1)NC(=O)c1ccc(cc1)C(C)(C)C" . "LVKKWCOINMSBPK-UHFFFAOYSA-N" . "InChI=1S/C15H18N4O3/c1-15(2,3)10-7-5-9(6-8-10)12(20)17-14-16-11(18-19-14)13(21)22-4/h5-8H,1-4H3,(H2,16,17,18,19,20)" . "NC(=O)NCc1ccc(c(c1)C1=CC(=CC(=c2[nH]c3c([nH]2)ccc(c3)C(=N)N)C1=O)C(C(=O)O)CC(=O)O)O" . "NC(=O)NCc1ccc(c(c1)C1=CC(=C/C(=c/2/[nH]c3c([nH]2)ccc(c3)C(=N)N)/C1=O)C(C(=O)O)CC(=O)O)O" . "VPCHMCAFZYYMSK-JJIBRWJFSA-N" . "InChI=1S/C26H24N6O7/c27-23(28)12-2-3-18-19(8-12)32-24(31-18)17-7-13(14(25(37)38)9-21(34)35)6-16(22(17)36)15-5-11(1-4-20(15)33)10-30-26(29)39/h1-8,14,31-33H,9-10H2,(H3,27,28)(H,34,35)(H,37,38)(H3,29,30,39)/b24-17+" . "CC(=CCCC=C(CCC=C(CCC1OC1(C)C)C)C)CCC=C(CCC=C(C)C)C" . "C/C(=C/CC/C=C(/CC/C=C(/CC[C@@H]1OC1(C)C)/C)/C)/CC/C=C(/CCC=C(C)C)/C" . "QYIMSPSDBYKPPY-RSKUXYSASA-N" . "InChI=1S/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+/t29-/m0/s1" . "CC(CNCc1ccccc1NC(=O)OCC(c1ccccc1)Oc1cccc2c1cc(s2)C(=N)N)C" . "CC(CNCc1ccccc1NC(=O)OCC(c1ccccc1)Oc1cccc2c1cc(s2)C(=N)N)C" . "QGLTXLFHFVMPJH-UHFFFAOYSA-N" . "InChI=1S/C29H32N4O3S/c1-19(2)16-32-17-21-11-6-7-12-23(21)33-29(34)35-18-25(20-9-4-3-5-10-20)36-24-13-8-14-26-22(24)15-27(37-26)28(30)31/h3-15,19,25,32H,16-18H2,1-2H3,(H3,30,31)(H,33,34)" . "NC(=S)NN=C(c1cccc(c1)Br)c1cccc(c1)O" . "NC(=S)N/N=C(/c1cccc(c1)Br)/c1cccc(c1)O" . "ZDBKSZKTCPOBFR-LGMDPLHJSA-N" . "InChI=1S/C14H12BrN3OS/c15-11-5-1-3-9(7-11)13(17-18-14(16)20)10-4-2-6-12(19)8-10/h1-8,19H,(H3,16,18,20)/b17-13-" . "OC(=O)C(COP(=O)(O)O)(N)C" . "OC(=O)C(COP(=O)(O)O)(N)C" . "GSFCOAGADOGIGE-UHFFFAOYSA-N" . "InChI=1S/C4H10NO6P/c1-4(5,3(6)7)2-11-12(8,9)10/h2,5H2,1H3,(H,6,7)(H2,8,9,10)" . "O=C(NC(c1ccc(cc1)Br)C)NC(C(=O)NC(C(=O)NC(C(=O)c1nccs1)CCCN=C(N)N)C(C)C)CCCNC(=O)N" . "O=C(N[C@@H](c1ccc(cc1)Br)C)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)c1nccs1)CCCN=C(N)N)C(C)C)CCCNC(=O)N" . "BGBJLVHKOHYLME-MNAPGUCWSA-N" . "InChI=1S/C29H43BrN10O5S/c1-16(2)22(25(43)38-20(6-4-12-35-27(31)32)23(41)26-34-14-15-46-26)40-24(42)21(7-5-13-36-28(33)44)39-29(45)37-17(3)18-8-10-19(30)11-9-18/h8-11,14-17,20-22H,4-7,12-13H2,1-3H3,(H,38,43)(H,40,42)(H4,31,32,35)(H3,33,36,44)(H2,37,39,45)/t17-,20+,21+,22+/m1/s1" . "OC(=O)CCCN1CCCC1COc1ccc(cc1)Oc1ccc(cc1)Cl" . "OC(=O)CCCN1CCC[C@H]1COc1ccc(cc1)Oc1ccc(cc1)Cl" . "PVCTYSQBVIGZRU-KRWDZBQOSA-N" . "InChI=1S/C21H24ClNO4/c22-16-5-7-19(8-6-16)27-20-11-9-18(10-12-20)26-15-17-3-1-13-23(17)14-2-4-21(24)25/h5-12,17H,1-4,13-15H2,(H,24,25)/t17-/m0/s1" . "OCC(C(=O)NCc1ccc(cc1)C(=N)N)NC(=O)C(NS(=O)(=O)Cc1ccccc1)CO" . "OC[C@@H](C(=O)NCc1ccc(cc1)C(=N)N)NC(=O)[C@H](NS(=O)(=O)Cc1ccccc1)CO" . "ZNOKJHWJKULOGM-ZWKOTPCHSA-N" . "InChI=1S/C21H27N5O6S/c22-19(23)16-8-6-14(7-9-16)10-24-20(29)17(11-27)25-21(30)18(12-28)26-33(31,32)13-15-4-2-1-3-5-15/h1-9,17-18,26-28H,10-13H2,(H3,22,23)(H,24,29)(H,25,30)/t17-,18+/m0/s1" . "OC1C(O)C(O)C(C(C1O)O)O" . "O[C@@H]1[C@H](O)[C@@H](O)[C@@H]([C@H]([C@H]1O)O)O" . "CDAISMWEOUEBRE-LKPKBOIGSA-N" . "InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4-,5+,6+/m0/s1" . "CCOCOCC(NC(=O)c1ccc(cc1)Oc1ccccc1)CC(C(=O)NO)C" . "CCOCOC[C@@H](NC(=O)c1ccc(cc1)Oc1ccccc1)C[C@@H](C(=O)NO)C" . "HDWWQELUBWGQGA-WMZOPIPTSA-N" . "InChI=1S/C22H28N2O6/c1-3-28-15-29-14-18(13-16(2)21(25)24-27)23-22(26)17-9-11-20(12-10-17)30-19-7-5-4-6-8-19/h4-12,16,18,27H,3,13-15H2,1-2H3,(H,23,26)(H,24,25)/t16-,18-/m0/s1" . "NC(=Nc1ncc(c2c1cc(cc2)c1cccc(c1)C(=O)O)Cl)N" . "NC(=Nc1ncc(c2c1cc(cc2)c1cccc(c1)C(=O)O)Cl)N" . "UXNWIRHZMHGOCE-UHFFFAOYSA-N" . "InChI=1S/C17H13ClN4O2/c18-14-8-21-15(22-17(19)20)13-7-10(4-5-12(13)14)9-2-1-3-11(6-9)16(23)24/h1-8H,(H,23,24)(H4,19,20,21,22)" . "O=C1N(Cc2ccccc2)C(=O)N1Cc1ccccc1" . "O=C1N(Cc2ccccc2)C(=O)N1Cc1ccccc1" . "PGIXYPNBNAOYHW-UHFFFAOYSA-N" . "InChI=1S/C16H14N2O2/c19-15-17(11-13-7-3-1-4-8-13)16(20)18(15)12-14-9-5-2-6-10-14/h1-10H,11-12H2" . "COc1cc(Br)c(cc1OC)C(=O)NC(C(CN(C(=O)CCN1C(=O)c2c(C1=O)cccc2)CCc1ccc(cc1Cl)Cl)O)Cc1cccc(c1)Oc1ccccc1" . "COc1cc(Br)c(cc1OC)C(=O)N[C@H]([C@H](CN(C(=O)CCN1C(=O)c2c(C1=O)cccc2)CCc1ccc(cc1Cl)Cl)O)Cc1cccc(c1)Oc1ccccc1" . "DQHKQRXAVNDAFY-UWXQCODUSA-N" . "InChI=1S/C44H40BrCl2N3O8/c1-56-39-24-34(35(45)25-40(39)57-2)42(53)48-37(22-27-9-8-12-31(21-27)58-30-10-4-3-5-11-30)38(51)26-49(19-17-28-15-16-29(46)23-36(28)47)41(52)18-20-50-43(54)32-13-6-7-14-33(32)44(50)55/h3-16,21,23-25,37-38,51H,17-20,22,26H2,1-2H3,(H,48,53)/t37-,38-/m0/s1" . "Clc1cnc(c(c1)C)C(=O)Nc1ccc(c(c1)C1(C)COCC(=N1)N)F" . "Clc1cnc(c(c1)C)C(=O)Nc1ccc(c(c1)[C@]1(C)COCC(=N1)N)F" . "RAFVKOLBEOKYJW-SFHVURJKSA-N" . "InChI=1S/C18H18ClFN4O2/c1-10-5-11(19)7-22-16(10)17(25)23-12-3-4-14(20)13(6-12)18(2)9-26-8-15(21)24-18/h3-7H,8-9H2,1-2H3,(H2,21,24)(H,23,25)/t18-/m0/s1" . "N#Cc1c(N)n(nc2c1=CC(C)(C)OC2)c1ccccc1" . "N#Cc1c(N)n(nc2c1=CC(C)(C)OC2)c1ccccc1" . "XQJQZTOXHGIQCA-UHFFFAOYSA-N" . "InChI=1S/C16H16N4O/c1-16(2)8-12-13(9-17)15(18)20(19-14(12)10-21-16)11-6-4-3-5-7-11/h3-8H,10,18H2,1-2H3" . "NC(C(=O)N1CCCCC1)CCNCc1ccc(cc1)Cl" . "N[C@H](C(=O)N1CCCCC1)CCNCc1ccc(cc1)Cl" . "DNVZYSMOLXCOLY-HNNXBMFYSA-N" . "InChI=1S/C16H24ClN3O/c17-14-6-4-13(5-7-14)12-19-9-8-15(18)16(21)20-10-2-1-3-11-20/h4-7,15,19H,1-3,8-12,18H2/t15-/m0/s1" . "O=C(C1NC(=O)C(Cc2nnn(c2)Cc2cc(Cn3cc(C1)nn3)ccc2)NS(=O)(=O)Cc1ccccc1)NCc1ccc(cc1)C(=N)N" . "O=C([C@H]1NC(=O)[C@@H](Cc2nnn(c2)Cc2cc(Cn3cc(C1)nn3)ccc2)NS(=O)(=O)Cc1ccccc1)NCc1ccc(cc1)C(=N)N" . "BKSCOHJNKDJECO-XZWHSSHBSA-N" . "InChI=1S/C33H35N11O4S/c34-31(35)26-11-9-22(10-12-26)16-36-32(45)29-14-27-19-43(41-38-27)17-24-7-4-8-25(13-24)18-44-20-28(39-42-44)15-30(33(46)37-29)40-49(47,48)21-23-5-2-1-3-6-23/h1-13,19-20,29-30,40H,14-18,21H2,(H3,34,35)(H,36,45)(H,37,46)/t29-,30+/m0/s1" . "NC(C(=O)N1Cc2c(C1)cccc2)CC(=O)N1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F" . "NC(C(=O)N1Cc2c(C1)cccc2)CC(=O)N1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F" . "ZKIQFLSGMMYCGS-UHFFFAOYSA-N" . "InChI=1S/C29H30F2N4O2/c30-24-9-5-20(6-10-24)28(21-7-11-25(31)12-8-21)34-15-13-33(14-16-34)27(36)17-26(32)29(37)35-18-22-3-1-2-4-23(22)19-35/h1-12,26,28H,13-19,32H2" . "N#CN(N(C(=O)C(CS(=O)(=O)CC(C)C)NC(=O)c1ccccc1)C)C" . "N#CN(N(C(=O)[C@H](CS(=O)(=O)CC(C)C)NC(=O)c1ccccc1)C)C" . "UGAZRSHSXNNYTK-HNNXBMFYSA-N" . "InChI=1S/C17H24N4O4S/c1-13(2)10-26(24,25)11-15(17(23)21(4)20(3)12-18)19-16(22)14-8-6-5-7-9-14/h5-9,13,15H,10-11H2,1-4H3,(H,19,22)/t15-/m0/s1" . "ONC(=O)C1C(O)C(O)C(CN1S(=O)(=O)c1ccc(cc1)Oc1ccccc1)O" . "ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](CN1S(=O)(=O)c1ccc(cc1)Oc1ccccc1)O" . "WLWNRAWQDZRXMB-YLFCFFPRSA-N" . "InChI=1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1" . "CCC(C(C(=O)NC(C(=O)OC)C(C)C)NC(=O)NNC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CCCN=C(N)N)CC(C)C)C" . "CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)OC)C(C)C)NC(=O)NNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CCCN=C(N)N)CC(C)C)C" . "ZLXFGUGFOLETFJ-POPCVQDUSA-N" . "InChI=1S/C38H64N10O9/c1-10-24(8)30(33(51)45-29(23(6)7)35(53)56-9)46-37(54)48-47-34(52)28(22(4)5)44-32(50)27(19-21(2)3)42-31(49)26(17-14-18-41-36(39)40)43-38(55)57-20-25-15-12-11-13-16-25/h11-13,15-16,21-24,26-30H,10,14,17-20H2,1-9H3,(H,42,49)(H,43,55)(H,44,50)(H,45,51)(H,47,52)(H4,39,40,41)(H2,46,48,54)/t24-,26-,27-,28-,29-,30-/m0/s1" . "O=C(C(Cc1ccccc1)NC(=O)C1OC1C(=O)NCCc1ccc(cc1)O)NCc1ccccc1" . "O=C([C@H](Cc1ccccc1)NC(=O)[C@H]1O[C@@H]1C(=O)NCCc1ccc(cc1)O)NCc1ccccc1" . "ZMZQYVMNDRBKLO-SDHOMARFSA-N" . "InChI=1S/C28H29N3O5/c32-22-13-11-19(12-14-22)15-16-29-27(34)24-25(36-24)28(35)31-23(17-20-7-3-1-4-8-20)26(33)30-18-21-9-5-2-6-10-21/h1-14,23-25,32H,15-18H2,(H,29,34)(H,30,33)(H,31,35)/t23-,24-,25-/m0/s1" . "CSCCC(C(=O)O)NC(=O)c1ccc(cc1c1ccccc1)NCC(CS)N" . "CSCC[C@@H](C(=O)O)NC(=O)c1ccc(cc1c1ccccc1)NC[C@H](CS)N" . "ZIXDDEATQSBHHL-BEFAXECRSA-N" . "InChI=1S/C21H27N3O3S2/c1-29-10-9-19(21(26)27)24-20(25)17-8-7-16(23-12-15(22)13-28)11-18(17)14-5-3-2-4-6-14/h2-8,11,15,19,23,28H,9-10,12-13,22H2,1H3,(H,24,25)(H,26,27)/t15-,19+/m1/s1" . "CCCCC1(CCCC)CS(=O)(=O)c2c(C(C1O)c1ccc(cc1)OCCCC[N+]13CCN(CC1)CC3)cc(c(c2)OC)OC" . "CCCCC1(CCCC)CS(=O)(=O)c2c([C@H]([C@H]1O)c1ccc(cc1)OCCCC[N+]13CCN(CC1)CC3)cc(c(c2)OC)OC" . "PHAUFFBQHZENJE-VSJLXWSYSA-N" . "InChI=1S/C36H55N2O6S/c1-5-7-15-36(16-8-6-2)27-45(40,41)33-26-32(43-4)31(42-3)25-30(33)34(35(36)39)28-11-13-29(14-12-28)44-24-10-9-20-38-21-17-37(18-22-38)19-23-38/h11-14,25-26,34-35,39H,5-10,15-24,27H2,1-4H3/q+1/t34-,35-/m1/s1" . "CCCCC1(CC)NC(c2ccccc2)c2c(S(=O)(=O)C1)cc(c(c2)OC)OC" . "CCCC[C@@]1(CC)N[C@H](c2ccccc2)c2c(S(=O)(=O)C1)cc(c(c2)OC)OC" . "CKFWDLFFXXVSBJ-DHIUTWEWSA-N" . "InChI=1S/C23H31NO4S/c1-5-7-13-23(6-2)16-29(25,26)21-15-20(28-4)19(27-3)14-18(21)22(24-23)17-11-9-8-10-12-17/h8-12,14-15,22,24H,5-7,13,16H2,1-4H3/t22-,23-/m1/s1" . "ONC(=O)CC(C(=O)NC(C(C)(C)C)C(=O)NC(c1ccccc1)C)CCCc1ccc(c(c1)C)c1ccccc1" . "ONC(=O)C[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@@H](c1ccccc1)C)CCCc1ccc(c(c1)C)c1ccccc1" . "JJHRUUKMPWUYIB-HVOSOHGQSA-N" . "InChI=1S/C34H43N3O4/c1-23-21-25(19-20-29(23)27-16-10-7-11-17-27)13-12-18-28(22-30(38)37-41)32(39)36-31(34(3,4)5)33(40)35-24(2)26-14-8-6-9-15-26/h6-11,14-17,19-21,24,28,31,41H,12-13,18,22H2,1-5H3,(H,35,40)(H,36,39)(H,37,38)/t24-,28-,31-/m1/s1" . "O=CC(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)O)CCC(=O)O)CC(=O)O" . "O=C[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC(=O)O)CCC(=O)O)CC(=O)O" . "UMBVAPCONCILTL-MRHIQRDNSA-N" . "InChI=1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11-,12-,13-,17-/m0/s1" . "CCOCCC1(Oc2ccc(cc2)Oc2ccc(cc2)F)C(=O)NC(=O)NC1=O" . "CCOCCC1(Oc2ccc(cc2)Oc2ccc(cc2)F)C(=O)NC(=O)NC1=O" . "XRSYNYGEEYTXJV-UHFFFAOYSA-N" . "InChI=1S/C20H19FN2O6/c1-2-27-12-11-20(17(24)22-19(26)23-18(20)25)29-16-9-7-15(8-10-16)28-14-5-3-13(21)4-6-14/h3-10H,2,11-12H2,1H3,(H2,22,23,24,25,26)" . "CCCNC(=N)NCCCC(C(=O)O)N" . "CCCNC(=N)NCCC[C@@H](C(=O)O)N" . "AOMXURITGZJPKB-ZETCQYMHSA-N" . "InChI=1S/C9H20N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N)CCCN=C(N)N)CCCCN)C(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)C)C(CC)C)Cc1ccccc1)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)CNC(=O)C(CCC(=O)O)N)Cc1ccccc1)CO)CC(=O)O)CO)CO)Cc1ccc(cc1)O)CC(C)C)CCC(=O)O)CCC(=O)N)C)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(N)=O)C(C)C" . "WPNGPBPCQMDAAD-WRFZDFFOSA-N" . "InChI=1S/C140H214N36O43/c1-16-72(10)112(137(217)155-75(13)118(198)162-97(59-81-61-149-85-35-24-23-34-83(81)85)127(207)164-93(55-69(4)5)128(208)173-110(70(6)7)135(215)161-87(36-25-27-51-141)120(200)151-62-103(184)156-86(115(145)195)38-29-53-148-140(146)147)175-129(209)95(56-78-30-19-17-20-31-78)165-124(204)91(46-50-108(191)192)160-123(203)88(37-26-28-52-142)158-117(197)74(12)153-116(196)73(11)154-122(202)90(44-47-102(144)183)157-104(185)63-152-121(201)89(45-49-107(189)190)159-125(205)92(54-68(2)3)163-126(206)94(58-80-39-41-82(182)42-40-80)166-132(212)99(65-177)169-134(214)101(67-179)170-136(216)111(71(8)9)174-131(211)98(60-109(193)194)167-133(213)100(66-178)171-139(219)114(77(15)181)176-130(210)96(57-79-32-21-18-22-33-79)168-138(218)113(76(14)180)172-105(186)64-150-119(199)84(143)43-48-106(187)188/h17-24,30-35,39-42,61,68-77,84,86-101,110-114,149,177-182H,16,25-29,36-38,43-60,62-67,141-143H2,1-15H3,(H2,144,183)(H2,145,195)(H,150,199)(H,151,200)(H,152,201)(H,153,196)(H,154,202)(H,155,217)(H,156,184)(H,157,185)(H,158,197)(H,159,205)(H,160,203)(H,161,215)(H,162,198)(H,163,206)(H,164,207)(H,165,204)(H,166,212)(H,167,213)(H,168,218)(H,169,214)(H,170,216)(H,171,219)(H,172,186)(H,173,208)(H,174,211)(H,175,209)(H,176,210)(H,187,188)(H,189,190)(H,191,192)(H,193,194)(H4,146,147,148)/t72-,73-,74-,75-,76+,77+,84-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,110-,111-,112-,113-,114-/m0/s1" . "O=C1C(=O)N(c2c1cc(cc2)S(=O)(=O)N1CCCC1COc1ccccc1)Cc1ccccc1" . "O=C1C(=O)N(c2c1cc(cc2)S(=O)(=O)N1CCC[C@H]1COc1ccccc1)Cc1ccccc1" . "PKOUAUWPBMZQCH-FQEVSTJZSA-N" . "InChI=1S/C26H24N2O5S/c29-25-23-16-22(13-14-24(23)27(26(25)30)17-19-8-3-1-4-9-19)34(31,32)28-15-7-10-20(28)18-33-21-11-5-2-6-12-21/h1-6,8-9,11-14,16,20H,7,10,15,17-18H2/t20-/m0/s1" . "CN(C1CCCc2c1c(O)no2)CCC=C(c1sccc1C)c1sccc1C" . "CN([C@@H]1CCCc2c1c(O)no2)CCC=C(c1sccc1C)c1sccc1C" . "CUESOMOCKVRNIW-QGZVFWFLSA-N" . "InChI=1S/C22H26N2O2S2/c1-14-9-12-27-20(14)16(21-15(2)10-13-28-21)6-5-11-24(3)17-7-4-8-18-19(17)22(25)23-26-18/h6,9-10,12-13,17H,4-5,7-8,11H2,1-3H3,(H,23,25)/t17-/m1/s1" . "OC(=O)CC(C(=O)O)N" . "OC(=O)C[C@H](C(=O)O)N" . "CKLJMWTZIZZHCS-UWTATZPHSA-N" . "InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1" . "CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(CN(C(C(C1(C)O)O)C)C)C)(C)O" . "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O" . "MQTOSJVFKKJCRP-BICOPXKESA-N" . "InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1" . "N#Cc1cc(F)cc(c1)n1nnc(n1)c1ccccn1" . "N#Cc1cc(F)cc(c1)n1nnc(n1)c1ccccn1" . "NNUSSUPIQZLYJW-UHFFFAOYSA-N" . "InChI=1S/C13H7FN6/c14-10-5-9(8-15)6-11(7-10)20-18-13(17-19-20)12-3-1-2-4-16-12/h1-7H" . "ONC(=O)C(N1CCC(C1=O)(N)c1ccc(cc1)OCc1cc(C)nc2c1cccc2)CC(C)C" . "ONC(=O)[C@H](N1CC[C@@](C1=O)(N)c1ccc(cc1)OCc1cc(C)nc2c1cccc2)CC(C)C" . "QVNZBDLTUKCPGJ-SHQCIBLASA-N" . "InChI=1S/C27H32N4O4/c1-17(2)14-24(25(32)30-34)31-13-12-27(28,26(31)33)20-8-10-21(11-9-20)35-16-19-15-18(3)29-23-7-5-4-6-22(19)23/h4-11,15,17,24,34H,12-14,16,28H2,1-3H3,(H,30,32)/t24-,27-/m1/s1" . "OC(=O)CC(C(=O)COc1c(F)c(F)cc(c1F)F)NC(=O)C(NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C" . "OC(=O)C[C@@H](C(=O)COc1c(F)c(F)cc(c1F)F)NC(=O)[C@@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C" . "SCVHJVCATBPIHN-SJCJKPOMSA-N" . "InChI=1S/C26H27F4N3O7/c1-12(31-24(38)25(39)32-16-8-6-5-7-13(16)26(2,3)4)23(37)33-17(10-19(35)36)18(34)11-40-22-20(29)14(27)9-15(28)21(22)30/h5-9,12,17H,10-11H2,1-4H3,(H,31,38)(H,32,39)(H,33,37)(H,35,36)/t12-,17-/m0/s1" . "OC(=O)CN1C(=O)C(CCc2c1cccc2)NC(=O)C1(CCCC1)CC(C(=O)O)CCc1ccccc1" . "OC(=O)CN1C(=O)[C@H](CCc2c1cccc2)NC(=O)C1(CCCC1)C[C@H](C(=O)O)CCc1ccccc1" . "RSRHEOWMSRYTNB-PKTZIBPZSA-N" . "InChI=1S/C29H34N2O6/c32-25(33)19-31-24-11-5-4-10-21(24)14-15-23(26(31)34)30-28(37)29(16-6-7-17-29)18-22(27(35)36)13-12-20-8-2-1-3-9-20/h1-5,8-11,22-23H,6-7,12-19H2,(H,30,37)(H,32,33)(H,35,36)/t22-,23+/m1/s1" . "CCOC(=O)C(CC1(CCCC1)C(=O)NC1CCc2c(N(C1=O)CC(=O)O)cccc2)CCc1ccccc1" . "CCOC(=O)[C@@H](CC1(CCCC1)C(=O)N[C@H]1CCc2c(N(C1=O)CC(=O)O)cccc2)CCc1ccccc1" . "XMQODGUTLZXUGZ-RPBOFIJWSA-N" . "InChI=1S/C31H38N2O6/c1-2-39-29(37)24(15-14-22-10-4-3-5-11-22)20-31(18-8-9-19-31)30(38)32-25-17-16-23-12-6-7-13-26(23)33(28(25)36)21-27(34)35/h3-7,10-13,24-25H,2,8-9,14-21H2,1H3,(H,32,38)(H,34,35)/t24-,25+/m1/s1" . "ONC(=O)C1N(CCSC1(C)C)S(=O)(=O)c1ccc(cc1)Oc1ccncc1" . "ONC(=O)[C@@H]1N(CCSC1(C)C)S(=O)(=O)c1ccc(cc1)Oc1ccncc1" . "YKPYIPVDTNNYCN-INIZCTEOSA-N" . "InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1" . "CC(=O)C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OS(=O)(=O)O" . "CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OS(=O)(=O)O" . "DIJBBUIOWGGQOP-QGVNFLHTSA-N" . "InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1" . "O=CNc1cnc(n(c1=O)CC(=O)NC(C(=O)C(=O)CCCOc1ccccn1)Cc1ccccc1)c1ccccc1" . "O=CNc1cnc(n(c1=O)CC(=O)NC(C(=O)C(=O)CCCOc1ccccn1)Cc1ccccc1)c1ccccc1" . "QOANBAXBOLUAFA-UHFFFAOYSA-N" . "InChI=1S/C31H29N5O6/c37-21-34-25-19-33-30(23-12-5-2-6-13-23)36(31(25)41)20-27(39)35-24(18-22-10-3-1-4-11-22)29(40)26(38)14-9-17-42-28-15-7-8-16-32-28/h1-8,10-13,15-16,19,21,24H,9,14,17-18,20H2,(H,34,37)(H,35,39)" . "SCC(C(=O)NC(C(=O)O)C)Cc1ccc2c(c1)OCO2" . "SC[C@H](C(=O)N[C@H](C(=O)O)C)Cc1ccc2c(c1)OCO2" . "TXSINLUUGRGAJO-WCBMZHEXSA-N" . "InChI=1S/C14H17NO5S/c1-8(14(17)18)15-13(16)10(6-21)4-9-2-3-11-12(5-9)20-7-19-11/h2-3,5,8,10,21H,4,6-7H2,1H3,(H,15,16)(H,17,18)/t8-,10+/m0/s1" . "CC(=O)SCC(C(=O)NC(C(=O)OCc1ccccc1)C)Cc1ccc2c(c1)OCO2" . "CC(=O)SC[C@H](C(=O)N[C@H](C(=O)OCc1ccccc1)C)Cc1ccc2c(c1)OCO2" . "KKBIUAUSZKGNOA-HNAYVOBHSA-N" . "InChI=1S/C23H25NO6S/c1-15(23(27)28-12-17-6-4-3-5-7-17)24-22(26)19(13-31-16(2)25)10-18-8-9-20-21(11-18)30-14-29-20/h3-9,11,15,19H,10,12-14H2,1-2H3,(H,24,26)/t15-,19+/m0/s1" . "OC(=O)C1(C)CC1" . "OC(=O)C1(C)CC1" . "DIZKLZKLNKQFGB-UHFFFAOYSA-N" . "InChI=1S/C5H8O2/c1-5(2-3-5)4(6)7/h2-3H2,1H3,(H,6,7)" . "CC(=CC)C(=O)O" . "C/C(=C/C)/C(=O)O" . "UIERETOOQGIECD-ONEGZZNKSA-N" . "InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+" . "Clc1nccc(c1)C#Cc1nc(n(c1C)c1ccc(cc1)OC(F)(F)F)C" . "Clc1nccc(c1)C#Cc1nc(n(c1C)c1ccc(cc1)OC(F)(F)F)C" . "GOHCTCOGYKAJLZ-UHFFFAOYSA-N" . "InChI=1S/C19H13ClF3N3O/c1-12-17(8-3-14-9-10-24-18(20)11-14)25-13(2)26(12)15-4-6-16(7-5-15)27-19(21,22)23/h4-7,9-11H,1-2H3" . "CCOC(=O)N1CCN(CC1)C(=O)C(NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)Cc1cccc(c1)C(=N)N" . "CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)Cc1cccc(c1)C(=N)N" . "ISJSHQTWOHGCMM-NDEPHWFRSA-N" . "InChI=1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)/t28-/m0/s1" . "CCOC(=O)N1CCN(CC1)C(=O)C(NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)Cc1cccc(c1)C=NNO" . "CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)Cc1cccc(c1)/C=N/NO" . "CYCFEEXTLQGJEL-XEOXDSMQSA-N" . "InChI=1S/C32H47N5O6S/c1-8-43-32(39)37-14-12-36(13-15-37)31(38)29(17-24-10-9-11-25(16-24)20-33-35-40)34-44(41,42)30-27(22(4)5)18-26(21(2)3)19-28(30)23(6)7/h9-11,16,18-23,29,34-35,40H,8,12-15,17H2,1-7H3/b33-20+/t29-/m0/s1" . "Cc1ncc2c(c1O)COP(=O)(OC2)O" . "Cc1ncc2c(c1O)COP(=O)(OC2)O" . "KCAJHODRYGNBSX-UHFFFAOYSA-N" . "InChI=1S/C8H10NO5P/c1-5-8(10)7-4-14-15(11,12)13-3-6(7)2-9-5/h2,10H,3-4H2,1H3,(H,11,12)" . "CC(=O)Nc1cccc(c1)n1c(=O)n(C2CC2)c(=O)c2c1c(C)c(=O)n(c2Nc1ccc(cc1F)I)C" . "CC(=O)Nc1cccc(c1)n1c(=O)n(C2CC2)c(=O)c2c1c(C)c(=O)n(c2Nc1ccc(cc1F)I)C" . "LIRYPHYGHXZJBZ-UHFFFAOYSA-N" . "InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)" . "Nc1nccc(n1)c1sc(nc1c1cccc(c1F)NS(=O)(=O)c1c(F)cccc1F)C(C)(C)C" . "Nc1nccc(n1)c1sc(nc1c1cccc(c1F)NS(=O)(=O)c1c(F)cccc1F)C(C)(C)C" . "BFSMGDJOXZAERB-UHFFFAOYSA-N" . "InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)" . "O=C(NC1COC1=O)CCc1ccccc1" . "O=C(N[C@H]1COC1=O)CCc1ccccc1" . "UUEMOTWYJKOUPP-JTQLQIEISA-N" . "InChI=1S/C12H13NO3/c14-11(13-10-8-16-12(10)15)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14)/t10-/m0/s1" . "COCCOCC(C(=O)Oc1ccc2c(c1)CCC2)CC1(CCCC1)C(=O)NC1CCC(CC1)C(=O)O" . "COCCOC[C@@H](C(=O)Oc1ccc2c(c1)CCC2)CC1(CCCC1)C(=O)N[C@@H]1CC[C@@H](CC1)C(=O)O" . "ZTWZVMIYIIVABD-OEMFJLHTSA-N" . "InChI=1S/C29H41NO7/c1-35-15-16-36-19-23(27(33)37-25-12-9-20-5-4-6-22(20)17-25)18-29(13-2-3-14-29)28(34)30-24-10-7-21(8-11-24)26(31)32/h9,12,17,21,23-24H,2-8,10-11,13-16,18-19H2,1H3,(H,30,34)(H,31,32)/t21-,23-,24+/m0/s1" . "COCCOCC(C(=O)O)CC1(CCCC1)C(=O)NC1CCC(CC1)C(=O)O" . "COCCOC[C@@H](C(=O)O)CC1(CCCC1)C(=O)N[C@@H]1CC[C@@H](CC1)C(=O)O" . "ACZWIDANLCXHBM-HRCADAONSA-N" . "InChI=1S/C20H33NO7/c1-27-10-11-28-13-15(18(24)25)12-20(8-2-3-9-20)19(26)21-16-6-4-14(5-7-16)17(22)23/h14-16H,2-13H2,1H3,(H,21,26)(H,22,23)(H,24,25)/t14-,15-,16+/m0/s1" . "OC(=O)CCc1ccc(cc1)OCc1cc(F)ccc1c1ccc(cc1)C" . "OC(=O)CCc1ccc(cc1)OCc1cc(F)ccc1c1ccc(cc1)C" . "LPGBXHWIQNZEJB-UHFFFAOYSA-N" . "InChI=1S/C23H21FO3/c1-16-2-7-18(8-3-16)22-12-9-20(24)14-19(22)15-27-21-10-4-17(5-11-21)6-13-23(25)26/h2-5,7-12,14H,6,13,15H2,1H3,(H,25,26)" . "NC(=O)C(N(S(=O)(=O)c1ccc(cc1)Cl)Cc1ccc(cc1F)c1nocn1)CCC(F)(F)F" . "NC(=O)[C@H](N(S(=O)(=O)c1ccc(cc1)Cl)Cc1ccc(cc1F)c1nocn1)CCC(F)(F)F" . "XEAOPVUAMONVLA-QGZVFWFLSA-N" . "InChI=1S/C20H17ClF4N4O4S/c21-14-3-5-15(6-4-14)34(31,32)29(17(18(26)30)7-8-20(23,24)25)10-13-2-1-12(9-16(13)22)19-27-11-33-28-19/h1-6,9,11,17H,7-8,10H2,(H2,26,30)/t17-/m1/s1" . "OC(=O)CC(C(=O)N(c1scc(n1)c1cc(Cl)ccc1Cl)C1CC1)Cc1ccccc1" . "OC(=O)CC(C(=O)N(c1scc(n1)c1cc(Cl)ccc1Cl)C1CC1)Cc1ccccc1" . "LCRQPJWEPVZEBE-UHFFFAOYSA-N" . "InChI=1S/C23H20Cl2N2O3S/c24-16-6-9-19(25)18(12-16)20-13-31-23(26-20)27(17-7-8-17)22(30)15(11-21(28)29)10-14-4-2-1-3-5-14/h1-6,9,12-13,15,17H,7-8,10-11H2,(H,28,29)" . "OC(=O)CC(NC(=O)Cc1cccc(c1)Cl)Cc1ccc(cc1)C(F)(F)F" . "OC(=O)C[C@@H](NC(=O)Cc1cccc(c1)Cl)Cc1ccc(cc1)C(F)(F)F" . "QOSIJVVNNGXEKE-INIZCTEOSA-N" . "InChI=1S/C19H17ClF3NO3/c20-15-3-1-2-13(8-15)10-17(25)24-16(11-18(26)27)9-12-4-6-14(7-5-12)19(21,22)23/h1-8,16H,9-11H2,(H,24,25)(H,26,27)/t16-/m0/s1" . "COC1C(CCC2(C1C1(C)OC1CC=C(C)C)CO2)OC(=O)NCc1ccc(cc1)NC(=O)CCCC(=O)O" . "CO[C@@H]1[C@@H](CC[C@@]2([C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)CO2)OC(=O)NCc1ccc(cc1)NC(=O)CCCC(=O)O" . "HRLDHINFRLTOEQ-UZHVHHFFSA-N" . "InChI=1S/C29H40N2O8/c1-18(2)8-13-22-28(3,39-22)26-25(36-4)21(14-15-29(26)17-37-29)38-27(35)30-16-19-9-11-20(12-10-19)31-23(32)6-5-7-24(33)34/h8-12,21-22,25-26H,5-7,13-17H2,1-4H3,(H,30,35)(H,31,32)(H,33,34)/t21-,22-,25-,26-,28+,29+/m1/s1" . "CC#CC(c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O" . "CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O" . "ZOPNBMMVVZRSGH-NRFANRHFSA-N" . "InChI=1S/C26H21F3O3/c1-2-4-21(16-25(30)31)20-9-13-24(14-10-20)32-17-18-5-3-6-22(15-18)19-7-11-23(12-8-19)26(27,28)29/h3,5-15,21H,16-17H2,1H3,(H,30,31)/t21-/m0/s1" . "CN(C(=O)COC(=O)Cc1ccc(cc1)OC(=O)c1ccc(cc1)N=C(N)N)C" . "CN(C(=O)COC(=O)Cc1ccc(cc1)OC(=O)c1ccc(cc1)N=C(N)N)C" . "XASIMHXSUQUHLV-UHFFFAOYSA-N" . "InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)" . "OC(=O)CC1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C" . "OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C" . "BZCALJIHZVNMGJ-HSZRJFAPSA-N" . "InChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1" . "N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O" . "N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O" . "KIZUBVPJNPVIIN-UHFFFAOYSA-N" . "InChI=1S/C19H14FNO2/c20-18-13-14(6-8-17(18)9-10-19(22)23)5-7-15-3-1-2-4-16(15)11-12-21/h1-4,6,8,13H,9-11H2,(H,22,23)" . "OCC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C1C(=O)NO)(C)C" . "OCC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC([C@@H]1C(=O)NO)(C)C" . "MAVDNGWEBZTACC-HNNXBMFYSA-N" . "InChI=1S/C17H22N2O6S2/c1-17(2)15(16(21)18-22)19(9-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-10-20/h5-8,15,20,22H,9-12H2,1-2H3,(H,18,21)/t15-/m0/s1" . "O=N(=O)c1ccc(nc1)Oc1ccc2c(c1)CCC(O2)c1ccccc1" . "O=N(=O)c1ccc(nc1)Oc1ccc2c(c1)CCC(O2)c1ccccc1" . "GZONLGPIHCCJOI-UHFFFAOYSA-N" . "InChI=1S/C20H16N2O4/c23-22(24)16-7-11-20(21-13-16)25-17-8-10-19-15(12-17)6-9-18(26-19)14-4-2-1-3-5-14/h1-5,7-8,10-13,18H,6,9H2" . "CC(c1ccc2c(c1)C1C=CCC1C(N2)c1cc2OCOc2cc1Br)C" . "CC(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](N2)c1cc2OCOc2cc1Br)C" . "QTOCPACSSHFGOY-ZCCHDVMBSA-N" . "InChI=1S/C22H22BrNO2/c1-12(2)13-6-7-19-16(8-13)14-4-3-5-15(14)22(24-19)17-9-20-21(10-18(17)23)26-11-25-20/h3-4,6-10,12,14-15,22,24H,5,11H2,1-2H3/t14-,15+,22-/m1/s1" . "Cc1cnc(c(n1)C(=O)Nc1ccccn1)N" . "Cc1cnc(c(n1)C(=O)Nc1ccccn1)N" . "NAQODRYELYCKDS-UHFFFAOYSA-N" . "InChI=1S/C11H11N5O/c1-7-6-14-10(12)9(15-7)11(17)16-8-4-2-3-5-13-8/h2-6H,1H3,(H2,12,14)(H,13,16,17)" . "N#CC1(CC1)NC(=O)C(CC(F)(C)C)NC(C(F)(F)F)c1ccc(cc1)c1ccc(cc1)S(=O)(=O)C" . "N#CC1(CC1)NC(=O)[C@H](CC(F)(C)C)N[C@H](C(F)(F)F)c1ccc(cc1)c1ccc(cc1)S(=O)(=O)C" . "FWIVDMJALNEADT-SFTDATJTSA-N" . "InChI=1S/C25H27F4N3O3S/c1-23(2,26)14-20(22(33)32-24(15-30)12-13-24)31-21(25(27,28)29)18-6-4-16(5-7-18)17-8-10-19(11-9-17)36(3,34)35/h4-11,20-21,31H,12-14H2,1-3H3,(H,32,33)/t20-,21-/m0/s1" . "O=C(c1cc(c(n(c1=O)c1cccc(c1)C(F)(F)F)C)c1ccnn1C)NCc1ccc(cn1)S(=O)(=O)C" . "O=C(c1cc(c(n(c1=O)c1cccc(c1)C(F)(F)F)C)c1ccnn1C)NCc1ccc(cn1)S(=O)(=O)C" . "QNQZWEGMKJBHEM-UHFFFAOYSA-N" . "InChI=1S/C25H22F3N5O4S/c1-15-20(22-9-10-31-32(22)2)12-21(23(34)30-13-17-7-8-19(14-29-17)38(3,36)37)24(35)33(15)18-6-4-5-16(11-18)25(26,27)28/h4-12,14H,13H2,1-3H3,(H,30,34)" . "Fc1ccc(nc1)C(=O)Nc1ccc(c(c1)C12COCC2CSC(=N1)N)F" . "Fc1ccc(nc1)C(=O)Nc1ccc(c(c1)[C@@]12COC[C@H]2CSC(=N1)N)F" . "NIDRNVHMMDAAIK-YPMLDQLKSA-N" . "InChI=1S/C18H16F2N4O2S/c19-11-1-4-15(22-6-11)16(25)23-12-2-3-14(20)13(5-12)18-9-26-7-10(18)8-27-17(21)24-18/h1-6,10H,7-9H2,(H2,21,24)(H,23,25)/t10-,18-/m0/s1" . "COC1CCC(CC1)C(=O)c1ccc2c(c1)cc(c(n2)OC)CC" . "CO[C@@H]1CC[C@@H](CC1)C(=O)c1ccc2c(c1)cc(c(n2)OC)CC" . "IOCYQQQCJYMWDT-KDYLLFBJSA-N" . "InChI=1S/C20H25NO3/c1-4-13-11-16-12-15(7-10-18(16)21-20(13)24-3)19(22)14-5-8-17(23-2)9-6-14/h7,10-12,14,17H,4-6,8-9H2,1-3H3/t14-,17+" . "c1ccc2c(c1)Cc1ccccc1C=N2" . "c1ccc2c(c1)Cc1ccccc1C=N2" . "IDWNSAXOQLJYOF-UHFFFAOYSA-N" . "InChI=1S/C14H11N/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1/h1-8,10H,9H2" . "c1ccc2c(c1)Oc1ccccc1C=N2" . "c1ccc2c(c1)Oc1ccccc1C=N2" . "NPUACKRELIJTFM-UHFFFAOYSA-N" . "InChI=1S/C13H9NO/c1-3-7-12-10(5-1)9-14-11-6-2-4-8-13(11)15-12/h1-9H" . "Clc1ccc(c(c1)CN1C(=O)c2c(C1=O)c(F)ccc2)NC(=O)c1ccccn1" . "Clc1ccc(c(c1)CN1C(=O)c2c(C1=O)c(F)ccc2)NC(=O)c1ccccn1" . "WBXKMHFMMCOTOK-UHFFFAOYSA-N" . "InChI=1S/C21H13ClFN3O3/c22-13-7-8-16(25-19(27)17-6-1-2-9-24-17)12(10-13)11-26-20(28)14-4-3-5-15(23)18(14)21(26)29/h1-10H,11H2,(H,25,27)" . "CCC(C(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccc(cc1)O)CCC(=O)O)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C1CCCN1C(=O)C(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)N)CCCNC(=N)N)CC(=O)N)Cc1ccccc1)CCC(=O)O)CCC(=O)O)C" . "CC[C@@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccc(cc1)O)CCC(=O)O)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N)CCCNC(=N)N)CC(=O)N)Cc1ccccc1)CCC(=O)O)CCC(=O)O)C" . "OIRCOABEOLEUMC-GEJPAHFPSA-N" . "InChI=1S/C98H138N24O33/c1-5-52(4)82(96(153)122-39-15-23-70(122)92(149)114-60(30-34-79(134)135)85(142)111-59(29-33-78(132)133)86(143)116-64(43-55-24-26-56(123)27-25-55)89(146)118-67(97(154)155)40-51(2)3)119-87(144)61(31-35-80(136)137)112-84(141)58(28-32-77(130)131)113-88(145)63(42-54-18-10-7-11-19-54)117-90(147)66(45-81(138)139)110-76(129)50-107-83(140)65(44-71(100)124)109-75(128)49-106-73(126)47-104-72(125)46-105-74(127)48-108-91(148)68-21-13-38-121(68)95(152)62(20-12-36-103-98(101)102)115-93(150)69-22-14-37-120(69)94(151)57(99)41-53-16-8-6-9-17-53/h6-11,16-19,24-27,51-52,57-70,82,123H,5,12-15,20-23,28-50,99H2,1-4H3,(H2,100,124)(H,104,125)(H,105,127)(H,106,126)(H,107,140)(H,108,148)(H,109,128)(H,110,129)(H,111,142)(H,112,141)(H,113,145)(H,114,149)(H,115,150)(H,116,143)(H,117,147)(H,118,146)(H,119,144)(H,130,131)(H,132,133)(H,134,135)(H,136,137)(H,138,139)(H,154,155)(H4,101,102,103)/t52-,57+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,82-/m0/s1" . "O=C(N1CC(CC1C(=O)O)C1CCCCC1)CP(=O)(CCCCc1ccccc1)O" . "O=C(N1C[C@@H](C[C@H]1C(=O)O)C1CCCCC1)CP(=O)(CCCCc1ccccc1)O" . "WOIWWYDXDVSWAZ-RTWAWAEBSA-N" . "InChI=1S/C23H34NO5P/c25-22(17-30(28,29)14-8-7-11-18-9-3-1-4-10-18)24-16-20(15-21(24)23(26)27)19-12-5-2-6-13-19/h1,3-4,9-10,19-21H,2,5-8,11-17H2,(H,26,27)(H,28,29)/t20-,21+/m1/s1" . "C=CC(c1ccc(cc1)OC(=O)C)OC(=O)C" . "C=C[C@@H](c1ccc(cc1)OC(=O)C)OC(=O)C" . "JAMQIUWGGBSIKZ-ZDUSSCGKSA-N" . "InChI=1S/C13H14O4/c1-4-13(17-10(3)15)11-5-7-12(8-6-11)16-9(2)14/h4-8,13H,1H2,2-3H3/t13-/m0/s1" . "NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)CC(C)C)Cc1ccc(cc1)O)CCC(=O)O)CCC(=O)O)[C@H](CC)C)CCC(=O)O)CCC(=O)O)Cc1ccccc1)CC(=O)O)CC(=O)O)CC(=O)N)Cc1nc[nH]c1)CO)CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)CCC(=O)N)CC(=O)N)CCCCN)C(=O)N[C@@H]([C@H](CC)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCC(=O)N)CC(=O)N)CCCCN)CCC(=O)O)CC(=O)O)CO)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](CC(C)C)N)Cc2ccc(cc2)O)CC(=O)O)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC(=O)N)CCC(=O)N)CO)CC(C)C)C(C)C)CCC(=O)O" . 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"XYWBJDRHGNULKG-OUMQNGNKSA-N" . "NC(=O)CI" . "NC(=O)CI" . "PGLTVOMIXTUURA-UHFFFAOYSA-N" . "InChI=1S/C2H4INO/c3-1-2(4)5/h1H2,(H2,4,5)" . "CCC(=O)OC(C(C)C)OP(=O)(CC(=O)N1CC(CC1C(=O)O)C1CCCCC1)CCCCc1ccccc1" . "CCC(=O)O[C@H](C(C)C)O[P@@](=O)(CC(=O)N1C[C@@H](C[C@H]1C(=O)O)C1CCCCC1)CCCCc1ccccc1" . "BIDNLKIUORFRQP-XYGFDPSESA-N" . "InChI=1S/C30H46NO7P/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35)/t25-,26+,30+,39-/m1/s1" . "CC(C(=O)N1C2CCCCC2CC1C(=O)O)NC(C(=O)O)CCc1ccccc1" . "C[C@@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)N[C@H](C(=O)O)CCc1ccccc1" . "AHYHTSYNOHNUSH-HXFGRODQSA-N" . "InChI=1S/C22H30N2O5/c1-14(23-17(21(26)27)12-11-15-7-3-2-4-8-15)20(25)24-18-10-6-5-9-16(18)13-19(24)22(28)29/h2-4,7-8,14,16-19,23H,5-6,9-13H2,1H3,(H,26,27)(H,28,29)/t14-,16+,17-,18-,19-/m0/s1" . "CCOC(=O)C(NC(C(=O)N1C2CCCCC2CC1C(=O)O)C)CCc1ccccc1" . "CCOC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)C)CCc1ccccc1" . "VXFJYXUZANRPDJ-WTNASJBWSA-N" . "InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/t16-,18+,19-,20-,21-/m0/s1" . "Fc1ccc2n(c1)cc(n2)CCC#Cc1ccccn1" . "Fc1ccc2n(c1)cc(n2)CCC#Cc1ccccn1" . "LZXMUJCJAWVHPZ-UHFFFAOYSA-N" . "InChI=1S/C16H12FN3/c17-13-8-9-16-19-15(12-20(16)11-13)7-2-1-5-14-6-3-4-10-18-14/h3-4,6,8-12H,2,7H2" . "Clc1nccc(n1)NC(=O)c1nc(n(c1C)c1ccccc1)C" . "Clc1nccc(n1)NC(=O)c1nc(n(c1C)c1ccccc1)C" . "YCJZWBZJSYLMPB-UHFFFAOYSA-N" . "InChI=1S/C16H14ClN5O/c1-10-14(15(23)20-13-8-9-18-16(17)21-13)19-11(2)22(10)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,18,20,21,23)" . "N#Cc1cc(F)cc(c1)c1ccc2c(c1)nc(cc2)C" . "N#Cc1cc(F)cc(c1)c1ccc2c(c1)nc(cc2)C" . "SDOLISUYGVMVBK-UHFFFAOYSA-N" . "InChI=1S/C17H11FN2/c1-11-2-3-13-4-5-14(9-17(13)20-11)15-6-12(10-19)7-16(18)8-15/h2-9H,1H3" . "COc1cc(C#N)cc(c1)c1ncc2c(n1)nc(cc2)C" . "COc1cc(C#N)cc(c1)c1ncc2c(n1)nc(cc2)C" . "NGRPBCOEAPBKCI-UHFFFAOYSA-N" . "InChI=1S/C16H12N4O/c1-10-3-4-12-9-18-15(20-16(12)19-10)13-5-11(8-17)6-14(7-13)21-2/h3-7,9H,1-2H3" . "N#Cc1cc(F)cc(c1)c1ccc2c(c1)NC(S2)C" . "N#Cc1cc(F)cc(c1)c1ccc2c(c1)NC(S2)C" . "DUFLWBPOXGXKEK-UHFFFAOYSA-N" . "InChI=1S/C15H11FN2S/c1-9-18-14-7-11(2-3-15(14)19-9)12-4-10(8-17)5-13(16)6-12/h2-7,9,18H,1H3" . "OC(=O)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(cc1)OC(=O)C(C)(C)C" . "OC(=O)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(cc1)OC(=O)C(C)(C)C" . "BTGNGJJLZOIYID-UHFFFAOYSA-N" . "InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)" . "N#Cc1ccc(nc1)c1noc(n1)c1cc(F)cc(c1)C#N" . "N#Cc1ccc(nc1)c1noc(n1)c1cc(F)cc(c1)C#N" . "PBVKGEMPZBKZOA-UHFFFAOYSA-N" . "InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H" . "N#Cc1cc(F)cc(c1)c1onc(n1)c1ccc(cn1)F" . "N#Cc1cc(F)cc(c1)c1onc(n1)c1ccc(cn1)F" . "RBSPCALDSNXWEP-UHFFFAOYSA-N" . "InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H" . "N#Cc1cnc(nc1c1ccc(cc1)F)Nc1nc2c(o1)cccc2" . "N#Cc1cnc(nc1c1ccc(cc1)F)Nc1nc2c(o1)cccc2" . "OBFRNKSPNQSVFR-UHFFFAOYSA-N" . "InChI=1S/C18H10FN5O/c19-13-7-5-11(6-8-13)16-12(9-20)10-21-17(23-16)24-18-22-14-3-1-2-4-15(14)25-18/h1-8,10H,(H,21,22,23,24)" . "N#Cc1cc(F)cc(c1)C(=O)Nc1cccc(c1)Cl" . "N#Cc1cc(F)cc(c1)C(=O)Nc1cccc(c1)Cl" . "FNDUFJARTKDXEF-UHFFFAOYSA-N" . "InChI=1S/C14H8ClFN2O/c15-11-2-1-3-13(7-11)18-14(19)10-4-9(8-17)5-12(16)6-10/h1-7H,(H,18,19)" . "N#Cc1cc(F)cc(c1)C(=O)Nc1scc(n1)C" . "N#Cc1cc(F)cc(c1)C(=O)Nc1scc(n1)C" . "KTQZJPKEGPXLRL-UHFFFAOYSA-N" . "InChI=1S/C12H8FN3OS/c1-7-6-18-12(15-7)16-11(17)9-2-8(5-14)3-10(13)4-9/h2-4,6H,1H3,(H,15,16,17)" . "O=C(OC(c1sc2n(c1C)ncn2)C)Nc1ccccc1" . "O=C(O[C@@H](c1sc2n(c1C)ncn2)C)Nc1ccccc1" . "AOUUMBPBMVOBSP-SNVBAGLBSA-N" . "InChI=1S/C14H14N4O2S/c1-9-12(21-13-15-8-16-18(9)13)10(2)20-14(19)17-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,17,19)/t10-/m1/s1" . "FCc1scc(n1)C#Cc1cc(F)cc(c1)C#N" . "FCc1scc(n1)C#Cc1cc(F)cc(c1)C#N" . "WTLBLIGPXACYET-UHFFFAOYSA-N" . "InChI=1S/C13H6F2N2S/c14-6-13-17-12(8-18-13)2-1-9-3-10(7-16)5-11(15)4-9/h3-5,8H,6H2" . "Fc1ccc(cc1)C(=O)N1CC(CCC1C)c1noc(n1)c1ccc(cn1)F" . "Fc1ccc(cc1)C(=O)N1C[C@H](CC[C@H]1C)c1noc(n1)c1ccc(cn1)F" . "JOBPCEDWVKYVKZ-OCCSQVGLSA-N" . "InChI=1S/C20H18F2N4O2/c1-12-2-3-14(11-26(12)20(27)13-4-6-15(21)7-5-13)18-24-19(28-25-18)17-9-8-16(22)10-23-17/h4-10,12,14H,2-3,11H2,1H3/t12-,14+/m1/s1" . "COc1ccc(cc1)Cn1c(NCCNC(=N)NC(=O)c2ccc(cc2)F)nc(=O)n(c1=O)Cc1ccc(cc1)F" . "COc1ccc(cc1)Cn1c(NCCNC(=N)NC(=O)c2ccc(cc2)F)nc(=O)n(c1=O)Cc1ccc(cc1)F" . "XZNHZFUKGYYVMQ-UHFFFAOYSA-N" . "InChI=1S/C28H27F2N7O4/c1-41-23-12-4-19(5-13-23)16-36-26(35-27(39)37(28(36)40)17-18-2-8-21(29)9-3-18)33-15-14-32-25(31)34-24(38)20-6-10-22(30)11-7-20/h2-13H,14-17H2,1H3,(H,33,35,39)(H3,31,32,34,38)" . "CC(=O)C=C1c2ccccc2N(C1=O)C" . "CC(=O)/C=C/1/c2ccccc2N(C1=O)C" . "CZKBLHCEDVWPRN-JXMROGBWSA-N" . "InChI=1S/C12H11NO2/c1-8(14)7-10-9-5-3-4-6-11(9)13(2)12(10)15/h3-7H,1-2H3/b10-7+" . "COc1ccc(cc1)Cn1c(NCCNC(=N)N)nc(=O)n(c1=O)Cc1ccc(cc1)F" . "COc1ccc(cc1)Cn1c(NCCNC(=N)N)nc(=O)n(c1=O)Cc1ccc(cc1)F" . "INQAREWWDULMAD-UHFFFAOYSA-N" . "InChI=1S/C21H24FN7O3/c1-32-17-8-4-15(5-9-17)12-28-19(26-11-10-25-18(23)24)27-20(30)29(21(28)31)13-14-2-6-16(22)7-3-14/h2-9H,10-13H2,1H3,(H4,23,24,25)(H,26,27,30)" . "C#Cc1cc(F)cc(c1)N1CCCc2c(C1)nc(o2)c1ccccn1" . "C#Cc1cc(F)cc(c1)N1CCCc2c(C1)nc(o2)c1ccccn1" . "MVXAKOGJWVQPKC-UHFFFAOYSA-N" . "InChI=1S/C20H16FN3O/c1-2-14-10-15(21)12-16(11-14)24-9-5-7-19-18(13-24)23-20(25-19)17-6-3-4-8-22-17/h1,3-4,6,8,10-12H,5,7,9,13H2" . "CCC1CCCCN1C(=O)c1cnc(c(c1)Cl)Nc1ccc(nc1)C" . "CC[C@@H]1CCCCN1C(=O)c1cnc(c(c1)Cl)Nc1ccc(nc1)C" . "QABUURICQJOWID-MRXNPFEDSA-N" . "InChI=1S/C19H23ClN4O/c1-3-16-6-4-5-9-24(16)19(25)14-10-17(20)18(22-11-14)23-15-8-7-13(2)21-12-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,22,23)/t16-/m1/s1" . "FC(Oc1ccc(cc1C#Cc1ccccn1)C(=O)N1Cc2c(C1)cccn2)F" . "FC(Oc1ccc(cc1C#Cc1ccccn1)C(=O)N1Cc2c(C1)cccn2)F" . "JITMSIRHBAVREW-UHFFFAOYSA-N" . "InChI=1S/C22H15F2N3O2/c23-22(24)29-20-9-7-16(12-15(20)6-8-18-5-1-2-10-25-18)21(28)27-13-17-4-3-11-26-19(17)14-27/h1-5,7,9-12,22H,13-14H2" . "COc1cc(ccc1c1ccccn1)c1nc2n(c1)cccc2" . "COc1cc(ccc1c1ccccn1)c1nc2n(c1)cccc2" . "DNCGFJANVDVZIZ-UHFFFAOYSA-N" . "InChI=1S/C19H15N3O/c1-23-18-12-14(8-9-15(18)16-6-2-4-10-20-16)17-13-22-11-5-3-7-19(22)21-17/h2-13H,1H3" . "COc1cc(ccc1c1ccccn1)C1Nc2c(O1)cccc2" . "COc1cc(ccc1c1ccccn1)C1Nc2c(O1)cccc2" . "DNFFCLRSKDXRKM-UHFFFAOYSA-N" . "InChI=1S/C19H16N2O2/c1-22-18-12-13(9-10-14(18)15-6-4-5-11-20-15)19-21-16-7-2-3-8-17(16)23-19/h2-12,19,21H,1H3" . "COc1cncc(c1)C#Cc1ccccn1" . "C([3H])(Oc1cncc(c1)C#Cc1ccccn1)([3H])[3H]" . "VRTFKUFTEWQHDD-RLXJOQACSA-N" . "InChI=1S/C13H10N2O/c1-16-13-8-11(9-14-10-13)5-6-12-4-2-3-7-15-12/h2-4,7-10H,1H3/i1T3" . "N#Cc1ccccc1N1CCN(CC1)C(=O)COCc1ccccc1" . "N#Cc1ccccc1N1CCN(CC1)C(=O)COCc1ccccc1" . "LTPGKAICNBCBPT-UHFFFAOYSA-N" . "InChI=1S/C20H21N3O2/c21-14-18-8-4-5-9-19(18)22-10-12-23(13-11-22)20(24)16-25-15-17-6-2-1-3-7-17/h1-9H,10-13,15-16H2" . "OC1CCN(CC1)C(=O)c1ccc(nc1)C#Cc1cccc(c1)F" . "OC1CCN(CC1)C(=O)c1ccc(nc1)C#Cc1cccc(c1)F" . "ZKKOJUZGUBLAJQ-UHFFFAOYSA-N" . "InChI=1S/C19H17FN2O2/c20-16-3-1-2-14(12-16)4-6-17-7-5-15(13-21-17)19(24)22-10-8-18(23)9-11-22/h1-3,5,7,12-13,18,23H,8-11H2" . "O=C1NCCc2c1ccc(c2)C#Cc1ccccc1" . "O=C1NCCc2c1ccc(c2)C#Cc1ccccc1" . "BOVJHNHRQNCDEQ-UHFFFAOYSA-N" . "InChI=1S/C17H13NO/c19-17-16-9-8-14(12-15(16)10-11-18-17)7-6-13-4-2-1-3-5-13/h1-5,8-9,12H,10-11H2,(H,18,19)" . "OC1CCN(CC1)C(=O)c1ccc(cc1)C#Cc1ccccc1" . "OC1CCN(CC1)C(=O)c1ccc(cc1)C#Cc1ccccc1" . "FPDBSDNGFNDSSK-UHFFFAOYSA-N" . "InChI=1S/C20H19NO2/c22-19-12-14-21(15-13-19)20(23)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-11,19,22H,12-15H2" . "Fc1ccc(cc1)n1c(C)nc(c1C)C(=O)Nc1cccc(n1)C" . "Fc1ccc(cc1)n1c(C)nc(c1C)C(=O)Nc1cccc(n1)C" . "YQFYIHPLHNEXNE-UHFFFAOYSA-N" . "InChI=1S/C18H17FN4O/c1-11-5-4-6-16(20-11)22-18(24)17-12(2)23(13(3)21-17)15-9-7-14(19)8-10-15/h4-10H,1-3H3,(H,20,22,24)" . "CCCc1cccc(n1)c1c(snc1c1ccc2c(c1)cn(n2)C)NC(=O)C1CC1C" . "CCCc1cccc(n1)c1c(snc1c1ccc2c(c1)cn(n2)C)NC(=O)[C@@H]1C[C@H]1C" . "DMJNZMXZSQWBRT-RDTXWAMCSA-N" . "InChI=1S/C24H25N5OS/c1-4-6-17-7-5-8-20(25-17)21-22(15-9-10-19-16(12-15)13-29(3)27-19)28-31-24(21)26-23(30)18-11-14(18)2/h5,7-10,12-14,18H,4,6,11H2,1-3H3,(H,26,30)/t14-,18-/m1/s1" . "CCCc1cc(O)c2c(c1)OC(C1C2C=C(C)CC1)(C)C" . "CCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C" . "ZROLHBHDLIHEMS-HUUCEWRRSA-N" . "InChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h9-11,14-15,20H,5-8H2,1-4H3/t14-,15-/m1/s1" . "CC(=C)C1CC=C(C(C1)O)C" . "CC(=C)C1CC=C(C(C1)O)C" . "BAVONGHXFVOKBV-UHFFFAOYSA-N" . "InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3" . "Fc1ccc(c(c1)Cl)N1CCN(CC1)C(=O)COCc1ccncc1" . "Fc1ccc(c(c1)Cl)N1CCN(CC1)C(=O)COCc1ccncc1" . "XNOMHUDLVRWWLV-UHFFFAOYSA-N" . "InChI=1S/C18H19ClFN3O2/c19-16-11-15(20)1-2-17(16)22-7-9-23(10-8-22)18(24)13-25-12-14-3-5-21-6-4-14/h1-6,11H,7-10,12-13H2" . "CC(=C)C1CCC(C(C1)O)C" . "CC(=C)C1CCC(C(C1)O)C" . "KRCZYMFUWVJCLI-UHFFFAOYSA-N" . "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3" . "Fc1cccc(c1)C#Cc1ccc(nc1)C(=O)NC(C(O)(C)C)C" . "Fc1cccc(c1)C#Cc1ccc(nc1)C(=O)N[C@@H](C(O)(C)C)C" . "ZPKZAFDYFVJULO-CYBMUJFWSA-N" . "InChI=1S/C19H19FN2O2/c1-13(19(2,3)24)22-18(23)17-10-9-15(12-21-17)8-7-14-5-4-6-16(20)11-14/h4-6,9-13,24H,1-3H3,(H,22,23)/t13-/m1/s1" . "Fc1cccc(c1)COc1ccc(cn1)C(=O)NC(C(C)(C)C)C" . "Fc1cccc(c1)COc1ccc(cn1)C(=O)N[C@@H](C(C)(C)C)C" . "VOYBJCDMLJODRK-CYBMUJFWSA-N" . "InChI=1S/C19H23FN2O2/c1-13(19(2,3)4)22-18(23)15-8-9-17(21-11-15)24-12-14-6-5-7-16(20)10-14/h5-11,13H,12H2,1-4H3,(H,22,23)/t13-/m1/s1" . "COc1ccc(cc1)CCNC(=O)Nc1ccc(cc1)Cl" . "COc1ccc(cc1)CCNC(=O)Nc1ccc(cc1)Cl" . "OVFMMJNKICPJJH-UHFFFAOYSA-N" . "InChI=1S/C16H17ClN2O2/c1-21-15-8-2-12(3-9-15)10-11-18-16(20)19-14-6-4-13(17)5-7-14/h2-9H,10-11H2,1H3,(H2,18,19,20)" . "Clc1nccc(c1)C#Cc1nc(n(c1C)c1ccc(cc1)OC(F)(F)F)C" . "Clc1nccc(c1)C#Cc1nc(n(c1C)c1ccc(cc1)OC(F)(F)F)C" . "GOHCTCOGYKAJLZ-UHFFFAOYSA-N" . "InChI=1S/C19H13ClF3N3O/c1-12-17(8-3-14-9-10-24-18(20)11-14)25-13(2)26(12)15-4-6-16(7-5-15)27-19(21,22)23/h4-7,9-11H,1-2H3" . "Clc1cccc(c1)c1ncc(c(c1)C)C1CCCN1C(=O)c1nccs1" . "Clc1cccc(c1)c1ncc(c(c1)C)[C@H]1CCCN1C(=O)c1nccs1" . "GCSDBTCZHROCLZ-GOSISDBHSA-N" . "InChI=1S/C20H18ClN3OS/c1-13-10-17(14-4-2-5-15(21)11-14)23-12-16(13)18-6-3-8-24(18)20(25)19-22-7-9-26-19/h2,4-5,7,9-12,18H,3,6,8H2,1H3/t18-/m1/s1" . "CN1CCOc2c1ncc(c2)COc1ccccc1" . "CN1CCOc2c1ncc(c2)COc1ccccc1" . "XAGOQHLVLYAAMO-UHFFFAOYSA-N" . "InChI=1S/C15H16N2O2/c1-17-7-8-18-14-9-12(10-16-15(14)17)11-19-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3" . "Clc1ccc(cc1)S(=O)(=O)NC1CCCCC1N1CCOCC1" . "Clc1ccc(cc1)S(=O)(=O)NC1CCCCC1N1CCOCC1" . "AYQCZQKMGKDZPS-UHFFFAOYSA-N" . "InChI=1S/C16H23ClN2O3S/c17-13-5-7-14(8-6-13)23(20,21)18-15-3-1-2-4-16(15)19-9-11-22-12-10-19/h5-8,15-16,18H,1-4,9-12H2" . "Cc1ccc(cc1)S(=O)(=O)n1nccc1c1c(C)onc1c1ccc(cc1)Cl" . "Cc1ccc(cc1)S(=O)(=O)n1nccc1c1c(C)onc1c1ccc(cc1)Cl" . "WFFKVDICECGSHN-UHFFFAOYSA-N" . "InChI=1S/C20H16ClN3O3S/c1-13-3-9-17(10-4-13)28(25,26)24-18(11-12-22-24)19-14(2)27-23-20(19)15-5-7-16(21)8-6-15/h3-12H,1-2H3" . "O=C(c1ccc(cc1)N(=O)=O)Nc1cc(nn1c1ccccc1)c1ccccc1" . "O=C(c1ccc(cc1)N(=O)=O)Nc1cc(nn1c1ccccc1)c1ccccc1" . "KIALCSMRIHRFPL-UHFFFAOYSA-N" . "InChI=1S/C22H16N4O3/c27-22(17-11-13-19(14-12-17)26(28)29)23-21-15-20(16-7-3-1-4-8-16)24-25(21)18-9-5-2-6-10-18/h1-15H,(H,23,27)" . "Cc1cc(C)c(c(c1)C)C1=NOC2C1C1CCC2C1" . "Cc1cc(C)c(c(c1)C)C1=NOC2C1C1CCC2C1" . "WKLZNTYMDOPBSE-UHFFFAOYSA-N" . "InChI=1S/C17H21NO/c1-9-6-10(2)14(11(3)7-9)16-15-12-4-5-13(8-12)17(15)19-18-16/h6-7,12-13,15,17H,4-5,8H2,1-3H3" . "CCOc1ccc(cc1c1nc(=O)c2c([nH]1)c(nn2C)C(C)(C)C)S(=O)(=O)NC(C)(C)C" . "CCOc1ccc(cc1c1nc(=O)c2c([nH]1)c(nn2C)C(C)(C)C)S(=O)(=O)NC(C)(C)C" . "VMVZVLPMWCBOFI-UHFFFAOYSA-N" . "InChI=1S/C22H31N5O4S/c1-9-31-15-11-10-13(32(29,30)26-22(5,6)7)12-14(15)19-23-16-17(20(28)24-19)27(8)25-18(16)21(2,3)4/h10-12,26H,9H2,1-8H3,(H,23,24,28)" . "Fc1cccc(c1)C#Cc1ccc(cn1)C(=O)NC1CCC1" . "Fc1cccc(c1)C#Cc1ccc(cn1)C(=O)NC1CCC1" . "NEMHWVUKNWAKTM-UHFFFAOYSA-N" . "InChI=1S/C18H15FN2O/c19-15-4-1-3-13(11-15)7-9-16-10-8-14(12-20-16)18(22)21-17-5-2-6-17/h1,3-4,8,10-12,17H,2,5-6H2,(H,21,22)" . "CCCCOc1ccc(cc1)C(=O)Nc1ccc(cc1F)F" . "CCCCOc1ccc(cc1)C(=O)Nc1ccc(cc1F)F" . "AHCYOTLTLQTPSU-UHFFFAOYSA-N" . "InChI=1S/C17H17F2NO2/c1-2-3-10-22-14-7-4-12(5-8-14)17(21)20-16-9-6-13(18)11-15(16)19/h4-9,11H,2-3,10H2,1H3,(H,20,21)" . "N#Cc1cc(F)cc(c1)c1onc(n1)c1ccccn1" . "N#Cc1cc(F)cc(c1)c1onc(n1)c1ccccn1" . "GELAFISMURFRCA-UHFFFAOYSA-N" . "InChI=1S/C14H7FN4O/c15-11-6-9(8-16)5-10(7-11)14-18-13(19-20-14)12-3-1-2-4-17-12/h1-7H" . "Cc1ccc(nc1)C#Cc1cncc(c1)Br" . "Cc1ccc(nc1)C#Cc1cncc(c1)Br" . "IHHBVGZPZBDKRA-UHFFFAOYSA-N" . "InChI=1S/C13H9BrN2/c1-10-2-4-13(16-7-10)5-3-11-6-12(14)9-15-8-11/h2,4,6-9H,1H3" . "COc1cccc(c1)C#Cc1ccc(cn1)C" . "COc1cccc(c1)C#Cc1ccc(cn1)C" . "CCQPQKFLWKYOMJ-UHFFFAOYSA-N" . "InChI=1S/C15H13NO/c1-12-6-8-14(16-11-12)9-7-13-4-3-5-15(10-13)17-2/h3-6,8,10-11H,1-2H3" . "Fc1ccc(cc1)c1noc(n1)C1CCn2c(C1)nnc2C(C)(C)C" . "Fc1ccc(cc1)c1noc(n1)[C@H]1CCn2c(C1)nnc2C(C)(C)C" . "NPRJTKMKUYJGAL-LBPRGKRZSA-N" . "InChI=1S/C18H20FN5O/c1-18(2,3)17-22-21-14-10-12(8-9-24(14)17)16-20-15(23-25-16)11-4-6-13(19)7-5-11/h4-7,12H,8-10H2,1-3H3/t12-/m0/s1" . "CC(NC(=O)c1ccc(cn1)C#Cc1ccncc1)C" . "CC(NC(=O)c1ccc(cn1)C#Cc1ccncc1)C" . "STAFRSGTRKNXHF-UHFFFAOYSA-N" . "InChI=1S/C16H15N3O/c1-12(2)19-16(20)15-6-5-14(11-18-15)4-3-13-7-9-17-10-8-13/h5-12H,1-2H3,(H,19,20)" . "N#Cc1cc(NC(=O)Nc2ccc(cn2)Cl)cc(c1)F" . "N#Cc1cc(NC(=O)Nc2ccc(cn2)Cl)cc(c1)F" . "KDANLHLWAYNCMV-UHFFFAOYSA-N" . "InChI=1S/C13H8ClFN4O/c14-9-1-2-12(17-7-9)19-13(20)18-11-4-8(6-16)3-10(15)5-11/h1-5,7H,(H2,17,18,19,20)" . "CC(N1Cc2c(C1=O)ccc(c2)c1nnn(c1C)c1cccnc1F)C" . "CC(N1Cc2c(C1=O)ccc(c2)c1nnn(c1C)c1cccnc1[18F])C" . "ZUWMBBZBDLJVHD-LRFGSCOBSA-N" . "InChI=1S/C19H18FN5O/c1-11(2)24-10-14-9-13(6-7-15(14)19(24)26)17-12(3)25(23-22-17)16-5-4-8-21-18(16)20/h4-9,11H,10H2,1-3H3/i20-1" . "CC(CC(B(O)O)NC(=O)C(NC(=O)c1cnccn1)Cc1ccccc1)C" . "CC(C[C@@H](B(O)O)NC(=O)[C@@H](NC(=O)c1cnccn1)Cc1ccccc1)C" . "GXJABQQUPOEUTA-RDJZCZTQSA-N" . "InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1" . "COc1ccc(cc1)n1nc(c2c1C(=O)N(CC2)c1ccc(cc1)N1CCCCC1=O)C(=O)N" . "COc1ccc(cc1)n1nc(c2c1C(=O)N(CC2)c1ccc(cc1)N1CCCCC1=O)C(=O)N" . "QNZCBYKSOIHPEH-UHFFFAOYSA-N" . "InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)" . "Clc1ccc(s1)S(=O)(=O)Nc1ccccc1N1CCCCC1" . "Clc1ccc(s1)S(=O)(=O)Nc1ccccc1N1CCCCC1" . "RXDWTDRPUXJDPY-UHFFFAOYSA-N" . "InChI=1S/C15H17ClN2O2S2/c16-14-8-9-15(21-14)22(19,20)17-12-6-2-3-7-13(12)18-10-4-1-5-11-18/h2-3,6-9,17H,1,4-5,10-11H2" . "O=C1OC(CN1c1ccc(cc1)N1CCOCC1=O)CNC(=O)c1ccc(s1)Cl" . "O=C1O[C@H](CN1c1ccc(cc1)N1CCOCC1=O)CNC(=O)c1ccc(s1)Cl" . "KGFYHTZWPPHNLQ-AWEZNQCLSA-N" . "InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1" . "CC1=CC(C)(C)N(c2c1cccc2)C(=O)CN1C(=O)c2c(C1=O)cccc2" . "CC1=CC(C)(C)N(c2c1cccc2)C(=O)CN1C(=O)c2c(C1=O)cccc2" . "WKXGGFCOIKORMM-UHFFFAOYSA-N" . "InChI=1S/C22H20N2O3/c1-14-12-22(2,3)24(18-11-7-6-8-15(14)18)19(25)13-23-20(26)16-9-4-5-10-17(16)21(23)27/h4-12H,13H2,1-3H3" . "CC1CC(C)(C)N(c2c1cccc2)C(=O)CN1C(=O)c2c(C1=O)cccc2" . "CC1CC(C)(C)N(c2c1cccc2)C(=O)CN1C(=O)c2c(C1=O)cccc2" . "KDDHBJICVBONAX-UHFFFAOYSA-N" . "InChI=1S/C22H22N2O3/c1-14-12-22(2,3)24(18-11-7-6-8-15(14)18)19(25)13-23-20(26)16-9-4-5-10-17(16)21(23)27/h4-11,14H,12-13H2,1-3H3" . "CCOC(=O)NC(=O)C1CC(C)CCC1C(C)C" . "CCOC(=O)NC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C" . "AOTWCRSILVRYCS-GRYCIOLGSA-N" . "InChI=1S/C14H25NO3/c1-5-18-14(17)15-13(16)12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,15,16,17)/t10-,11+,12-/m1/s1" . "NC(=NCCCC(C(=O)N1CCC(CC1C(=O)O)C)NS(=O)(=O)c1cccc2c1NCC(C2)C)N" . "NC(=NCCC[C@@H](C(=O)N1CC[C@H](C[C@@H]1C(=O)O)C)NS(=O)(=O)c1cccc2c1NCC(C2)C)N" . "KXNPVXPOPUZYGB-IOVMHBDKSA-N" . "InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1" . "OC(=O)CNC(C(=O)N1CCC1C(=O)NCc1ccc(cc1)C(=N)N)C1CCCCC1" . "OC(=O)CN[C@@H](C(=O)N1CC[C@H]1C(=O)NCc1ccc(cc1)C(=N)N)C1CCCCC1" . "DKWNMCUOEDMMIN-PKOBYXMFSA-N" . "InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1" . "CCOC(=O)CNC(C(=O)N1CCC1C(=O)NCc1ccc(cc1)C(=NO)N)C1CCCCC1" . "CCOC(=O)CN[C@@H](C(=O)N1CC[C@H]1C(=O)NCc1ccc(cc1)/C(=N/O)/N)C1CCCCC1" . "ZXIBCJHYVWYIKI-PZJWPPBQSA-N" . "InChI=1S/C24H35N5O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33/h8-11,17,19,21,26,33H,2-7,12-15H2,1H3,(H2,25,28)(H,27,31)/t19-,21+/m0/s1" . "OC(=O)CCN(C(=O)c1ccc2c(c1)nc(n2C)CNc1ccc(cc1)C(=N)N)c1ccccn1" . "OC(=O)CCN(C(=O)c1ccc2c(c1)nc(n2C)CNc1ccc(cc1)C(=N)N)c1ccccn1" . "YBSJFWOBGCMAKL-UHFFFAOYSA-N" . "InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)" . "CCCCCCOC(=O)N=C(c1ccc(cc1)NCc1nc2c(n1C)ccc(c2)C(=O)N(c1ccccn1)CCC(=O)OCC)N" . "CCCCCCOC(=O)/N=C(/c1ccc(cc1)NCc1nc2c(n1C)ccc(c2)C(=O)N(c1ccccn1)CCC(=O)OCC)/N" . "KSGXQBZTULBEEQ-UHFFFAOYSA-N" . "InChI=1S/C34H41N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44)" . "CC(C(=O)N1C(=O)N(CC1C(=O)O)C)NC(C(=O)O)CCc1ccccc1" . "C[C@@H](C(=O)N1C(=O)N(C[C@H]1C(=O)O)C)N[C@H](C(=O)O)CCc1ccccc1" . "VFAVNRVDTAPBNR-UBHSHLNASA-N" . "InChI=1S/C18H23N3O6/c1-11(15(22)21-14(17(25)26)10-20(2)18(21)27)19-13(16(23)24)9-8-12-6-4-3-5-7-12/h3-7,11,13-14,19H,8-10H2,1-2H3,(H,23,24)(H,25,26)/t11-,13-,14-/m0/s1" . "CCOC(=O)C(NC(C(=O)N1C(=O)N(CC1C(=O)O)C)C)CCc1ccccc1" . "CCOC(=O)[C@@H](N[C@H](C(=O)N1C(=O)N(C[C@H]1C(=O)O)C)C)CCc1ccccc1" . "KLZWOWYOHUKJIG-BPUTZDHNSA-N" . "InChI=1S/C20H27N3O6/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)21-13(2)17(24)23-16(18(25)26)12-22(3)20(23)28/h5-9,13,15-16,21H,4,10-12H2,1-3H3,(H,25,26)/t13-,15-,16-/m0/s1" . "NCCN(C(=O)c1cccs1)Cc1ccc(c(c1)OC)OCc1ccccc1" . "NCCN(C(=O)c1cccs1)Cc1ccc(c(c1)OC)OCc1ccccc1" . "UOGGWHBYFVBUIY-UHFFFAOYSA-N" . "InChI=1S/C22H24N2O3S/c1-26-20-14-18(9-10-19(20)27-16-17-6-3-2-4-7-17)15-24(12-11-23)22(25)21-8-5-13-28-21/h2-10,13-14H,11-12,15-16,23H2,1H3" . "OC(=O)CN1C(=O)C(CCc2c1cccc2)NC(C(=O)O)CCc1ccccc1" . "OC(=O)CN1C(=O)[C@H](CCc2c1cccc2)N[C@H](C(=O)O)CCc1ccccc1" . "MADRIHWFJGRSBP-ROUUACIJSA-N" . "InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18-/m0/s1" . "CCOC(=O)C(NC1CCc2c(N(C1=O)CC(=O)O)cccc2)CCc1ccccc1" . "CCOC(=O)[C@@H](N[C@H]1CCc2c(N(C1=O)CC(=O)O)cccc2)CCc1ccccc1" . "XPCFTKFZXHTYIP-PMACEKPBSA-N" . "InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1" . "CCCC(C(=O)O)NC(C(=O)N1C2CCCCC2CC1C(=O)O)C" . "CCC[C@@H](C(=O)O)N[C@H](C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O)C" . "ODAIHABQVKJNIY-PEDHHIEDSA-N" . "InChI=1S/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1" . "N#Cc1cc(OCc2ccnc(c2)C)nc(c1)Cl" . "N#Cc1cc(OCc2ccnc(c2)C)nc(c1)Cl" . "MWMMUKIHNXXNGW-UHFFFAOYSA-N" . "InChI=1S/C13H10ClN3O/c1-9-4-10(2-3-16-9)8-18-13-6-11(7-15)5-12(14)17-13/h2-6H,8H2,1H3" . "N#Cc1cc(C)cc(n1)OCc1cccc(c1)Cl" . "N#Cc1cc(C)cc(n1)OCc1cccc(c1)Cl" . "IUJVMCIYVKHYBF-UHFFFAOYSA-N" . "InChI=1S/C14H11ClN2O/c1-10-5-13(8-16)17-14(6-10)18-9-11-3-2-4-12(15)7-11/h2-7H,9H2,1H3" . "NCCN(C(=O)OC(c1ccccc1)C)Cc1ccc(c(c1)OC)OCc1ccccc1" . "NCCN(C(=O)O[C@@H](c1ccccc1)C)Cc1ccc(c(c1)OC)OCc1ccccc1" . "URRBLVUOXIGNQR-HXUWFJFHSA-N" . "InChI=1S/C26H30N2O4/c1-20(23-11-7-4-8-12-23)32-26(29)28(16-15-27)18-22-13-14-24(25(17-22)30-2)31-19-21-9-5-3-6-10-21/h3-14,17,20H,15-16,18-19,27H2,1-2H3/t20-/m1/s1" . "CC1CCC(C(C1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1)C(C)C" . "C[C@@H]1CC[C@H]([C@@H](C1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1)C(C)C" . "IIVDSKOVPRNBND-AYOQOUSVSA-N" . "InChI=1S/C21H28N4O3S/c1-14(2)18-10-5-15(3)13-19(18)20(26)24-16-6-8-17(9-7-16)29(27,28)25-21-22-11-4-12-23-21/h4,6-9,11-12,14-15,18-19H,5,10,13H2,1-3H3,(H,24,26)(H,22,23,25)/t15-,18+,19-/m1/s1" . "CCCC(C(=O)OCC)NC(C(=O)N1C2CCCCC2CC1C(=O)O)C" . "CCC[C@@H](C(=O)OCC)N[C@H](C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O)C" . "IPVQLZZIHOAWMC-QXKUPLGCSA-N" . "InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/t12-,13-,14-,15-,16-/m0/s1" . "CC(=O)NC1CCCC2(C1)CN=C(O2)c1cccc(c1)Cl" . "CC(=O)N[C@H]1CCC[C@@]2(C1)CN=C(O2)c1cccc(c1)Cl" . "NFPUARSXIMWASK-GOEBONIOSA-N" . "InChI=1S/C16H19ClN2O2/c1-11(20)19-14-6-3-7-16(9-14)10-18-15(21-16)12-4-2-5-13(17)8-12/h2,4-5,8,14H,3,6-7,9-10H2,1H3,(H,19,20)/t14-,16+/m0/s1" . "COc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(ncn1)NC1CC1" . "COc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(ncn1)NC1CC1" . "DBUMITZHDMTTNX-UHFFFAOYSA-N" . "InChI=1S/C18H15N5O2S/c1-25-12-6-4-11(5-7-12)23-9-21-14-13-16(22-10-2-3-10)19-8-20-17(13)26-15(14)18(23)24/h4-10H,2-3H2,1H3,(H,19,20,22)" . "CCCOC(=O)c1[nH]c(c(c1C)C(=O)OCC(C)(C)C)C" . "CCCOC(=O)c1[nH]c(c(c1C)C(=O)OCC(C)(C)C)C" . "JFOGEVBSXYRAFN-UHFFFAOYSA-N" . "InChI=1S/C16H25NO4/c1-7-8-20-15(19)13-10(2)12(11(3)17-13)14(18)21-9-16(4,5)6/h17H,7-9H2,1-6H3" . "CC(N(C(=O)N1CCC(=CC1)c1nnn(c1C)c1cccnc1F)C)C" . "CC(N(C(=O)N1CCC(=CC1)c1nnn(c1C)c1cccnc1F)C)C" . "CJTLKLBSIFQKNT-UHFFFAOYSA-N" . "InChI=1S/C18H23FN6O/c1-12(2)23(4)18(26)24-10-7-14(8-11-24)16-13(3)25(22-21-16)15-6-5-9-20-17(15)19/h5-7,9,12H,8,10-11H2,1-4H3" . "COc1ccc(c(c1)F)n1cnc2c(c1=O)sc1c2c(ncn1)N(C)C" . "COc1ccc(c(c1)F)n1cnc2c(c1=O)sc1c2c(ncn1)N(C)C" . "XUSKBQJCEPMVBM-UHFFFAOYSA-N" . "InChI=1S/C17H14FN5O2S/c1-22(2)15-12-13-14(26-16(12)20-7-19-15)17(24)23(8-21-13)11-5-4-9(25-3)6-10(11)18/h4-8H,1-3H3" . "COCCN(Cc1ccc2c(c1)nc1n2cc(s1)C(=O)N(C1CCCCC1)C)C" . "COCCN(Cc1ccc2c(c1)nc1n2cc(s1)C(=O)N(C1CCCCC1)C)C" . "YDAIWUAWYILYPH-UHFFFAOYSA-N" . "InChI=1S/C22H30N4O2S/c1-24(11-12-28-3)14-16-9-10-19-18(13-16)23-22-26(19)15-20(29-22)21(27)25(2)17-7-5-4-6-8-17/h9-10,13,15,17H,4-8,11-12,14H2,1-3H3" . "NCCCCC(C(=O)N1CCCC1C(=O)O)NC(C(=O)O)CCc1ccccc1" . "NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@H](C(=O)O)CCc1ccccc1" . "RLAWWYSOJDYHDC-BZSNNMDCSA-N" . "InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1" . "CC(=O)OCC(=CCC(C1=COC(C2C1CCC(=CCCC2=C)C)OC(=O)C)OC(=O)C)C" . "CC(=O)OC/C(=C/C[C@@H](C1=CO[C@@H]([C@@H]2[C@@H]1CCC(=CCCC2=C)C)OC(=O)C)OC(=O)C)/C" . "DCZJIZRGTZFSQY-JQIWXNGPSA-N" . "InChI=1S/C26H36O7/c1-16-8-7-9-18(3)25-22(12-10-16)23(15-31-26(25)33-21(6)29)24(32-20(5)28)13-11-17(2)14-30-19(4)27/h8,11,15,22,24-26H,3,7,9-10,12-14H2,1-2,4-6H3/b16-8-,17-11+/t22-,24+,25+,26-/m1/s1" . "Cc1cc2[nH]c3c(c2cc1OCc1ccccc1)CCNC3=O" . "Cc1cc2[nH]c3c(c2cc1OCc1ccccc1)CCNC3=O" . "DYTMNPUOZGPWQA-UHFFFAOYSA-N" . "InChI=1S/C19H18N2O2/c1-12-9-16-15(14-7-8-20-19(22)18(14)21-16)10-17(12)23-11-13-5-3-2-4-6-13/h2-6,9-10,21H,7-8,11H2,1H3,(H,20,22)" . "COc1ccc(cc1)n1ccc2c(c1=O)sc1c2c(ccn1)NC1CC1" . "COc1ccc(cc1)n1ccc2c(c1=O)sc1c2c(ccn1)NC1CC1" . "ZUUBRGCTXRXCLV-UHFFFAOYSA-N" . "InChI=1S/C20H17N3O2S/c1-25-14-6-4-13(5-7-14)23-11-9-15-17-16(22-12-2-3-12)8-10-21-19(17)26-18(15)20(23)24/h4-12H,2-3H2,1H3,(H,21,22)" . "COc1ccc(cc1)n1ccc2c(c1=O)sc1c2c(ccn1)N(C)C" . "COc1ccc(cc1)n1ccc2c(c1=O)sc1c2c(ccn1)N(C)C" . "KBKYZXCTHJUCOC-UHFFFAOYSA-N" . "InChI=1S/C19H17N3O2S/c1-21(2)15-8-10-20-18-16(15)14-9-11-22(19(23)17(14)25-18)12-4-6-13(24-3)7-5-12/h4-11H,1-3H3" . "Brc1c(ccc2c1nccn2)NC1=NCCN1" . "Brc1c(ccc2c1nccn2)NC1=NCCN1" . "XYLJNLCSTIOKRM-UHFFFAOYSA-N" . "InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)" . "Cc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(cnc1)N(C)C" . "Cc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(cnc1)N(C)C" . "LPWKFUVWWQYLOD-UHFFFAOYSA-N" . "InChI=1S/C18H16N4OS/c1-11-4-6-12(7-5-11)22-10-20-16-15-13(21(2)3)8-19-9-14(15)24-17(16)18(22)23/h4-10H,1-3H3" . "CN(c1ccnc2c1c1ncn(c(=O)c1s2)C1CCCCCC1)C" . "CN(c1ccnc2c1c1ncn(c(=O)c1s2)C1CCCCCC1)C" . "WOADNNTWYZOWNV-UHFFFAOYSA-N" . "InChI=1S/C18H22N4OS/c1-21(2)13-9-10-19-17-14(13)15-16(24-17)18(23)22(11-20-15)12-7-5-3-4-6-8-12/h9-12H,3-8H2,1-2H3" . "Cc1c(nnn1c1cccnc1F)c1ccc2c(c1)cccn2" . "Cc1c(nnn1c1cccnc1F)c1ccc2c(c1)cccn2" . "RTUBNVSZHGWRCV-UHFFFAOYSA-N" . "InChI=1S/C17H12FN5/c1-11-16(13-6-7-14-12(10-13)4-2-8-19-14)21-22-23(11)15-5-3-9-20-17(15)18/h2-10H,1H3" . "OC(=O)C(NC(C(=O)N1Cc2ccccc2CC1C(=O)O)C)CCc1ccccc1" . "OC(=O)[C@@H](N[C@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)O)C)CCc1ccccc1" . "FLSLEGPOVLMJMN-YSSFQJQWSA-N" . "InChI=1S/C23H26N2O5/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30)/t15-,19-,20-/m0/s1" . "C1CCCC(CC1)Nc1ncnc2c1cc(OCCN1CCOCC1)nc2" . "C1CCCC(CC1)Nc1ncnc2c1cc(OCCN1CCOCC1)nc2" . "OGIVDFLCEHDQBN-UHFFFAOYSA-N" . "InChI=1S/C20H29N5O2/c1-2-4-6-16(5-3-1)24-20-17-13-19(21-14-18(17)22-15-23-20)27-12-9-25-7-10-26-11-8-25/h13-16H,1-12H2,(H,22,23,24)" . "O=C=NCCCCCCN=C=O" . "O=C=NCCCCCCN=C=O" . "RRAMGCGOFNQTLD-UHFFFAOYSA-N" . "InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2" . "CN=C=O" . "CN=C=O" . "HAMGRBXTJNITHG-UHFFFAOYSA-N" . "InChI=1S/C2H3NO/c1-3-2-4/h1H3" . "CCOC(=O)C(NC(C(=O)N1Cc2ccccc2CC1C(=O)O)C)CCc1ccccc1" . "CCOC(=O)[C@@H](N[C@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)O)C)CCc1ccccc1" . "JSDRRTOADPPCHY-HSQYWUDLSA-N" . "InChI=1S/C25H30N2O5/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30)/t17-,21-,22-/m0/s1" . "OCCOCCNc1ncc2c(c1)c(ncn2)NC1Cc2c(C1)cccc2" . "OCCOCCNc1ncc2c(c1)c(ncn2)NC1Cc2c(C1)cccc2" . "QFBGUCZGHVJUGC-UHFFFAOYSA-N" . "InChI=1S/C20H23N5O2/c26-6-8-27-7-5-21-19-11-17-18(12-22-19)23-13-24-20(17)25-16-9-14-3-1-2-4-15(14)10-16/h1-4,11-13,16,26H,5-10H2,(H,21,22)(H,23,24,25)" . "CC1CNc2c(O1)cnc1c2c2ncn(c(=O)c2s1)c1ccc(cc1)Cl" . "C[C@@H]1CNc2c(O1)cnc1c2c2ncn(c(=O)c2s1)c1ccc(cc1)Cl" . "LFUPTQIEOBBAJE-SECBINFHSA-N" . "InChI=1S/C18H13ClN4O2S/c1-9-6-20-14-12(25-9)7-21-17-13(14)15-16(26-17)18(24)23(8-22-15)11-4-2-10(19)3-5-11/h2-5,7-9,20H,6H2,1H3/t9-/m1/s1" . "O=C(Nc1ccc2c(c1)OCCO2)C=Cc1ccc(cc1)C(C)(C)C" . "O=C(Nc1ccc2c(c1)OCCO2)/C=C/c1ccc(cc1)C(C)(C)C" . "GZTFUVZVLYUPRG-IZZDOVSWSA-N" . "InChI=1S/C21H23NO3/c1-21(2,3)16-7-4-15(5-8-16)6-11-20(23)22-17-9-10-18-19(14-17)25-13-12-24-18/h4-11,14H,12-13H2,1-3H3,(H,22,23)/b11-6+" . "Clc1ccc(cc1)n1cnc2c(c1=O)sc1c2c2NCCOc2cn1" . "Clc1ccc(cc1)n1cnc2c(c1=O)sc1c2c2NCCOc2cn1" . "FODONWGPMXPGNC-UHFFFAOYSA-N" . "InChI=1S/C17H11ClN4O2S/c18-9-1-3-10(4-2-9)22-8-21-14-12-13-11(24-6-5-19-13)7-20-16(12)25-15(14)17(22)23/h1-4,7-8,19H,5-6H2" . "COc1ccc(cc1)n1cnc2c(c1=O)sc1c2c2NCCOc2cn1" . "COc1ccc(cc1)n1cnc2c(c1=O)sc1c2c2NCCOc2cn1" . "KUCDOJMOTMEEOF-UHFFFAOYSA-N" . "InChI=1S/C18H14N4O3S/c1-24-11-4-2-10(3-5-11)22-9-21-15-13-14-12(25-7-6-19-14)8-20-17(13)26-16(15)18(22)23/h2-5,8-9,19H,6-7H2,1H3" . "OC(=O)C(NC(C(=O)N1C2CCCC2CC1C(=O)O)C)CCc1ccccc1" . "OC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O)C)CCc1ccccc1" . "KEDYTOTWMPBSLG-HILJTLORSA-N" . "InChI=1S/C21H28N2O5/c1-13(22-16(20(25)26)11-10-14-6-3-2-4-7-14)19(24)23-17-9-5-8-15(17)12-18(23)21(27)28/h2-4,6-7,13,15-18,22H,5,8-12H2,1H3,(H,25,26)(H,27,28)/t13-,15-,16-,17-,18-/m0/s1" . "COc1ccc(cc1)N1C=NC2C(C1=O)Sc1c2c2NCCc2cn1" . "COc1ccc(cc1)N1C=NC2C(C1=O)Sc1c2c2NCCc2cn1" . "SIUQQICXQVLRLA-UHFFFAOYSA-N" . "InChI=1S/C18H16N4O2S/c1-24-12-4-2-11(3-5-12)22-9-21-15-13-14-10(6-7-19-14)8-20-17(13)25-16(15)18(22)23/h2-5,8-9,15-16,19H,6-7H2,1H3" . "Clc1ccc(cc1)n1c(C)nc2c(c1=O)cnn2c1ccc(cc1)S(=O)(=O)N" . "Clc1ccc(cc1)n1c(C)nc2c(c1=O)cnn2c1ccc(cc1)S(=O)(=O)N" . "VRNFEVMRDQNBHD-UHFFFAOYSA-N" . "InChI=1S/C18H14ClN5O3S/c1-11-22-17-16(18(25)23(11)13-4-2-12(19)3-5-13)10-21-24(17)14-6-8-15(9-7-14)28(20,26)27/h2-10H,1H3,(H2,20,26,27)" . "O=C1N(Cc2c1ccc(c2)c1nnn(c1C)c1cccnc1F)C1CC1" . "O=C1N(Cc2c1ccc(c2)c1nnn(c1C)c1cccnc1F)C1CC1" . "XZBFQWRAIYRPPZ-UHFFFAOYSA-N" . "InChI=1S/C19H16FN5O/c1-11-17(22-23-25(11)16-3-2-8-21-18(16)20)12-4-7-15-13(9-12)10-24(19(15)26)14-5-6-14/h2-4,7-9,14H,5-6,10H2,1H3" . "OC(=O)c1ccc2c(c1)CCC2(N)C(=O)O" . "OC(=O)c1ccc2c(c1)CCC2(N)C(=O)O" . "LSTPKMWNRWCNLS-UHFFFAOYSA-N" . "InChI=1S/C11H11NO4/c12-11(10(15)16)4-3-6-5-7(9(13)14)1-2-8(6)11/h1-2,5H,3-4,12H2,(H,13,14)(H,15,16)" . "Cc1c(OCCN2CCOCC2)cc2c(c1F)c(=O)c(co2)C1CCCCC1" . "Cc1c(OCCN2CCOCC2)cc2c(c1F)c(=O)c(co2)C1CCCCC1" . "PHQKNLJAPYWXQQ-UHFFFAOYSA-N" . "InChI=1S/C22H28FNO4/c1-15-18(27-12-9-24-7-10-26-11-8-24)13-19-20(21(15)23)22(25)17(14-28-19)16-5-3-2-4-6-16/h13-14,16H,2-12H2,1H3" . "CCOC(=O)C(NC(C(=O)N1C2CCCC2CC1C(=O)O)C)CCc1ccccc1" . "CCOC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O)C)CCc1ccccc1" . "HDACQVRGBOVJII-JBDAPHQKSA-N" . "InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17-,18-,19-,20-/m0/s1" . "CC1CNc2c(O1)cnc1c2c2ncn(c(=O)c2s1)c1ccc(cc1)Cl" . "C[C@H]1CNc2c(O1)cnc1c2c2ncn(c(=O)c2s1)c1ccc(cc1)Cl" . "LFUPTQIEOBBAJE-VIFPVBQESA-N" . "InChI=1S/C18H13ClN4O2S/c1-9-6-20-14-12(25-9)7-21-17-13(14)15-16(26-17)18(24)23(8-22-15)11-4-2-10(19)3-5-11/h2-5,7-9,20H,6H2,1H3/t9-/m0/s1" . "N#Cc1ncccc1N1CCN(C(C1)C)C(=O)C12CC3CC(C2)C(C(C1)C3)C" . "N#Cc1ncccc1N1CCN([C@@H](C1)C)C(=O)C12CC3CC(C2)C(C(C1)C3)C" . "HPOKCTFUFZGTGF-ABYMYHKNSA-N" . "InChI=1S/C23H30N4O/c1-15-14-26(21-4-3-5-25-20(21)13-24)6-7-27(15)22(28)23-10-17-8-18(11-23)16(2)19(9-17)12-23/h3-5,15-19H,6-12,14H2,1-2H3/t15-,16?,17?,18?,19?,23?/m1/s1" . "O=C(c1ccc2c(c1)cc1c(n2)OCCC1)Cc1ccccc1" . "O=C(c1ccc2c(c1)cc1c(n2)OCCC1)Cc1ccccc1" . "HXUSRWUBSYSWII-UHFFFAOYSA-N" . "InChI=1S/C20H17NO2/c22-19(11-14-5-2-1-3-6-14)15-8-9-18-17(12-15)13-16-7-4-10-23-20(16)21-18/h1-3,5-6,8-9,12-13H,4,7,10-11H2" . "Fc1ccc(c(c1)F)n1nnc(c1C)c1ccc2c(c1)CN(C2=O)C(C)C" . "Fc1ccc(c(c1)F)n1nnc(c1C)c1ccc2c(c1)CN(C2=O)C(C)C" . "KKZVYGIANGOHBS-UHFFFAOYSA-N" . "InChI=1S/C20H18F2N4O/c1-11(2)25-10-14-8-13(4-6-16(14)20(25)27)19-12(3)26(24-23-19)18-7-5-15(21)9-17(18)22/h4-9,11H,10H2,1-3H3" . "CCCN1Cc2c(C1=O)ccc(c2)c1nnn(c1C)c1cccnc1F" . "CCCN1Cc2c(C1=O)ccc(c2)c1nnn(c1C)c1cccnc1[18F]" . "NYDVTBHNZHBCKX-LRFGSCOBSA-N" . "InChI=1S/C19H18FN5O/c1-3-9-24-11-14-10-13(6-7-15(14)19(24)26)17-12(2)25(23-22-17)16-5-4-8-21-18(16)20/h4-8,10H,3,9,11H2,1-2H3/i20-1" . "CC(=O)OC1C(O)OC(C1O)COP(=O)(OP(=O)(OCC1OC(C(C1O)O)n1cnc2c1ncnc2N)O)O" . "CC(=O)O[C@H]1C(O)O[C@@H]([C@H]1O)COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O" . "BFNOPXRXIQJDHO-YDKGJHSESA-N" . "InChI=1S/C17H25N5O15P2/c1-6(23)34-13-11(25)8(36-17(13)27)3-33-39(30,31)37-38(28,29)32-2-7-10(24)12(26)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/t7-,8-,10-,11-,12-,13-,16-,17?/m1/s1" . "OC(=O)C(NC(C(=O)N1CCCC1C(=O)O)C)CCc1ccccc1" . "OC(=O)[C@@H](N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C)CCc1ccccc1" . "LZFZMUMEGBBDTC-QEJZJMRPSA-N" . "InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1" . "N#Cc1c(ccn(c1=O)CC1CC1)N1CCC(CC1)c1ccccc1" . "N#Cc1c(ccn(c1=O)CC1CC1)N1CCC(CC1)c1ccccc1" . "RVRHQHDKALSKLY-UHFFFAOYSA-N" . "InChI=1S/C21H23N3O/c22-14-19-20(10-13-24(21(19)25)15-16-6-7-16)23-11-8-18(9-12-23)17-4-2-1-3-5-17/h1-5,10,13,16,18H,6-9,11-12,15H2" . "N#Cc1c(ccn(c1=O)CC1CC1)N1CCC(CC1)c1ccccc1" . "N#Cc1c(ccn(c1=O)CC1CC1)N1CCC(CC1)c1ccccc1" . "RVRHQHDKALSKLY-UHFFFAOYSA-N" . "InChI=1S/C21H23N3O/c22-14-19-20(10-13-24(21(19)25)15-16-6-7-16)23-11-8-18(9-12-23)17-4-2-1-3-5-17/h1-5,10,13,16,18H,6-9,11-12,15H2" . "CCCC(Oc1cccc(c1)N(S(=O)(=O)CC(F)(F)F)Cc1cccnc1)C" . "CCCC(Oc1cccc(c1)N(S(=O)(=O)CC(F)(F)F)Cc1cccnc1)C" . "ICFXZBZASBXILF-UHFFFAOYSA-N" . "InChI=1S/C19H23F3N2O3S/c1-3-6-15(2)27-18-9-4-8-17(11-18)24(13-16-7-5-10-23-12-16)28(25,26)14-19(20,21)22/h4-5,7-12,15H,3,6,13-14H2,1-2H3" . "CCCC(Oc1cccc(c1)N(S(=O)(=O)CC(F)(F)F)Cc1cccnc1)C" . "CCCC(Oc1cccc(c1)N(S(=O)(=O)CC(F)(F)F)Cc1cccnc1)C" . "ICFXZBZASBXILF-UHFFFAOYSA-N" . "InChI=1S/C19H23F3N2O3S/c1-3-6-15(2)27-18-9-4-8-17(11-18)24(13-16-7-5-10-23-12-16)28(25,26)14-19(20,21)22/h4-5,7-12,15H,3,6,13-14H2,1-2H3" . "O=CC=C(CCC=C(C)C)C" . "O=C/C=C(/CCC=C(C)C)/C" . "WTEVQBCEXWBHNA-JXMROGBWSA-N" . "InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+" . "COc1cc(C=CC(=O)Nc2ccccc2C(=O)O)ccc1OC" . "COc1cc(/C=C/C(=O)Nc2ccccc2C(=O)O)ccc1OC" . "NZHGWWWHIYHZNX-CSKARUKUSA-N" . "InChI=1S/C18H17NO5/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22/h3-11H,1-2H3,(H,19,20)(H,21,22)/b10-8+" . "O=C1CC(=Nc2c(N1)cc(c(c2)C)C(F)(F)F)c1cccc(c1)c1cccc(c1)S(=O)(=O)O" . "O=C1CC(=Nc2c(N1)cc(c(c2)C)C(F)(F)F)c1cccc(c1)c1cccc(c1)S(=O)(=O)O" . "FQNZBSFUVZKONP-UHFFFAOYSA-N" . "InChI=1S/C23H17F3N2O4S/c1-13-8-20-21(11-18(13)23(24,25)26)28-22(29)12-19(27-20)16-6-2-4-14(9-16)15-5-3-7-17(10-15)33(30,31)32/h2-11H,12H2,1H3,(H,28,29)(H,30,31,32)" . "CCCCCC=CCC=CCC=CCC1OC1CCCC(=O)O" . "CCCCC/C=C/C/C=C/C/C=C/CC1OC1CCCC(=O)O" . "VBQNSZQZRAGRIX-QNEBEIHSSA-N" . "InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-" . "CC(=CCc1cc(C=CC(=O)O)cc(c1O)CC=C(C)C)C" . "CC(=CCc1cc(/C=C/C(=O)O)cc(c1O)CC=C(C)C)C" . "KABCFARPAMSXCC-JXMROGBWSA-N" . "InChI=1S/C19H24O3/c1-13(2)5-8-16-11-15(7-10-18(20)21)12-17(19(16)22)9-6-14(3)4/h5-7,10-12,22H,8-9H2,1-4H3,(H,20,21)/b10-7+" . "FC(c1cc(nc2n1ncc2C#Cc1cncc(c1)S(=O)(=O)O)c1ccc(cc1)C(F)(F)F)(F)F" . "FC(c1cc(nc2n1ncc2C#Cc1cncc(c1)S(=O)(=O)O)c1ccc(cc1)C(F)(F)F)(F)F" . "VAQSOLIIQORHSP-UHFFFAOYSA-N" . "InChI=1S/C21H10F6N4O3S/c22-20(23,24)15-5-3-13(4-6-15)17-8-18(21(25,26)27)31-19(30-17)14(10-29-31)2-1-12-7-16(11-28-9-12)35(32,33)34/h3-11H,(H,32,33,34)" . "OC(=O)c1cc(ccc1Cl)c1cccc(c1)COc1ccc2c(c1)sn(c2=O)C1CCCC1" . "OC(=O)c1cc(ccc1Cl)c1cccc(c1)COc1ccc2c(c1)sn(c2=O)C1CCCC1" . "ZQBPXBADOJMCRU-UHFFFAOYSA-N" . "InChI=1S/C26H22ClNO4S/c27-23-11-8-18(13-22(23)26(30)31)17-5-3-4-16(12-17)15-32-20-9-10-21-24(14-20)33-28(25(21)29)19-6-1-2-7-19/h3-5,8-14,19H,1-2,6-7,15H2,(H,30,31)" . "CCOC(=O)C(NC(C(=O)N1CCCC1C(=O)O)C)CCc1ccccc1" . "CCOC(=O)[C@@H](N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C)CCc1ccccc1" . "GBXSMTUPTTWBMN-XIRDDKMYSA-N" . "InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1" . "N#Cc1cccc(c1)N1CC(OC1=O)COc1ccc(cc1)C(C)(C)C" . "N#Cc1cccc(c1)N1C[C@H](OC1=O)COc1ccc(cc1)C(C)(C)C" . "YFJUDGZIRPWFBS-IBGZPJMESA-N" . "InChI=1S/C21H22N2O3/c1-21(2,3)16-7-9-18(10-8-16)25-14-19-13-23(20(24)26-19)17-6-4-5-15(11-17)12-22/h4-11,19H,13-14H2,1-3H3/t19-/m0/s1" . "CCCCn1ccc(c(c1=O)C#N)c1ccc(c(c1)F)Oc1ccnc(c1)C" . "CCCCn1ccc(c(c1=O)C#N)c1ccc(c(c1)F)Oc1ccnc(c1)C" . "IPTWXMISVLTMAV-UHFFFAOYSA-N" . "InChI=1S/C22H20FN3O2/c1-3-4-10-26-11-8-18(19(14-24)22(26)27)16-5-6-21(20(23)13-16)28-17-7-9-25-15(2)12-17/h5-9,11-13H,3-4,10H2,1-2H3" . "CC=CC=O" . "C/C=C/C=O" . "MLUCVPSAIODCQM-NSCUHMNNSA-N" . "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+" . "N#Cc1ccccc1Cn1c(cc(=O)n(c1=O)C)N1CCCC(C1)N" . "N#Cc1ccccc1Cn1c(cc(=O)n(c1=O)C)N1CCC[C@H](C1)N" . "ZSBOMTDTBDDKMP-OAHLLOKOSA-N" . "InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1" . "CC#CCn1c(nc2c1c(=O)n(Cc1nc(C)c3c(n1)cccc3)c(=O)n2C)N1CCCC(C1)N" . "CC#CCn1c(nc2c1c(=O)n(Cc1nc(C)c3c(n1)cccc3)c(=O)n2C)N1CCC[C@H](C1)N" . "LTXREWYXXSTFRX-QGZVFWFLSA-N" . "InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1" . "FC(c1c(ccn2c1nnc2CC1CC1)N1CCC(CC1)c1ccccc1)(F)F" . "FC(c1c(ccn2c1nnc2CC1CC1)N1CCC(CC1)c1ccccc1)(F)F" . "BQAVZGJJQFJSMW-UHFFFAOYSA-N" . "InChI=1S/C22H23F3N4/c23-22(24,25)20-18(10-13-29-19(14-15-6-7-15)26-27-21(20)29)28-11-8-17(9-12-28)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2" . "N#CC1CC2C(N1C(=O)C(C13CC4CC(C1)CC(C3)(C4)O)N)C2" . "N#C[C@@H]1C[C@H]2[C@@H](N1C(=O)[C@H](C13CC4CC(C1)CC(C3)(C4)O)N)C2" . "QGJUIPDUBHWZPV-SGTAVMJGSA-N" . "InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1" . "CC1=CC(=O)C(=CC1=NOS(=O)(=O)c1ccccc1)C1CCCCC1" . "CC1=CC(=O)C(=C/C/1=N/OS(=O)(=O)c1ccccc1)C1CCCCC1" . "RSMZOLWJZGIWOV-CZIZESTLSA-N" . "InChI=1S/C19H21NO4S/c1-14-12-19(21)17(15-8-4-2-5-9-15)13-18(14)20-24-25(22,23)16-10-6-3-7-11-16/h3,6-7,10-13,15H,2,4-5,8-9H2,1H3/b20-18+" . "N#CC1CCCN1C(=O)CNC12CC3CC(C1)CC(C2)(C3)O" . "N#C[C@@H]1CCCN1C(=O)CNC12CC3CC(C1)CC(C2)(C3)O" . "SYOKIDBDQMKNDQ-XWTIBIIYSA-N" . "InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1" . "CC(CNc1nc(ncc1C(=O)NCc1ccccc1)N1CCN(CC1)CC1CCCOC1)C" . "CC(CNc1nc(ncc1C(=O)NCc1ccccc1)N1CCN(CC1)CC1CCCOC1)C" . "PPANZCQXFYBGHN-UHFFFAOYSA-N" . "InChI=1S/C26H38N6O2/c1-20(2)15-27-24-23(25(33)28-16-21-7-4-3-5-8-21)17-29-26(30-24)32-12-10-31(11-13-32)18-22-9-6-14-34-19-22/h3-5,7-8,17,20,22H,6,9-16,18-19H2,1-2H3,(H,28,33)(H,27,29,30)" . "O=CCC(C(=CC)C=O)CC(=O)OCCc1ccc(cc1)O" . "O=CC[C@H](/C(=C/C)/C=O)CC(=O)OCCc1ccc(cc1)O" . "VPOVFCBNUOUZGG-VAKDEWRISA-N" . "InChI=1S/C17H20O5/c1-2-14(12-19)15(7-9-18)11-17(21)22-10-8-13-3-5-16(20)6-4-13/h2-6,9,12,15,20H,7-8,10-11H2,1H3/b14-2-/t15-/m0/s1" . "O=C1C=CC(=O)C=C1" . "O=C1C=CC(=O)C=C1" . "AZQWKYJCGOJGHM-UHFFFAOYSA-N" . "InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H" . "CC[P+]([Au-]SC1OC(COC(=O)C)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C)(CC)CC" . "CC[P+]([Au-]S[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)(CC)CC" . "AUJRCFUBUPVWSZ-XTZHGVARSA-M" . "InChI=1S/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/q;;+1/p-1/t10-,11-,12+,13-,14+;;/m1../s1" . "CCCCCC=CCC1OC1C=CC(CC=CCCCC(=O)O)O" . "CCCCC/C=C/C[C@@H]1OC1/C=C/C(C/C=C/CCCC(=O)O)O" . "SGTUOBURCVMACZ-UIKNIFMXSA-N" . "InChI=1S/C20H32O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(22)23/h6-7,9-10,15-19,21H,2-5,8,11-14H2,1H3,(H,22,23)/b9-7-,10-6-,16-15+/t17?,18-,19?/m0/s1" . "O=CC(=O)C" . "O=CC(=O)C" . "AIJULSRZWUXGPQ-UHFFFAOYSA-N" . "InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3" . "CCCCCCCCC=C([N+](=O)[O-])CCCCCCCC(=O)O" . "CCCCCCCC/C=C(/[N+](=O)[O-])/CCCCCCCC(=O)O" . "CQOAKBVRRVHWKV-SAPNQHFASA-N" . "InChI=1S/C18H33NO4/c1-2-3-4-5-6-8-11-14-17(19(22)23)15-12-9-7-10-13-16-18(20)21/h14H,2-13,15-16H2,1H3,(H,20,21)/b17-14+" . "CCCCOC(=O)c1ccccc1C(=O)OCCCC" . "CCCCOC(=O)c1ccccc1C(=O)OCCCC" . "DOIRQSBPFJWKBE-UHFFFAOYSA-N" . "InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3" . "BrCc1ccccc1" . "BrCc1ccccc1" . "AGEZXYOZHKGVCM-UHFFFAOYSA-N" . "InChI=1S/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2" . "CC(=O)CBr" . "CC(=O)CBr" . "VQFAIAKCILWQPZ-UHFFFAOYSA-N" . "InChI=1S/C3H5BrO/c1-3(5)2-4/h2H2,1H3" . "ClC([N+](=O)[O-])(Cl)Cl" . "ClC([N+](=O)[O-])(Cl)Cl" . "LFHISGNCFUNFFM-UHFFFAOYSA-N" . "InChI=1S/CCl3NO2/c2-1(3,4)5(6)7" . "O=CC1=CC2CC(CC2C2(C1(C=O)C2)C)(C)C" . "O=CC1=C[C@@H]2CC(C[C@@H]2[C@@]2([C@@]1(C=O)C2)C)(C)C" . "PJAAESPGJOSQGZ-DZGBDDFRSA-N" . "InChI=1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,14-,15-/m1/s1" . "NC(Cc1cc(F)c(cc1F)F)CC(=O)N1CCn2c(C1)nnc2C(F)(F)F" . "N[C@H](Cc1cc(F)c(cc1F)F)CC(=O)N1CCn2c(C1)nnc2C(F)(F)F" . "MFFMDFFZMYYVKS-SECBINFHSA-N" . "InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1" . "ClCC(=O)c1ccccc1" . "ClCC(=O)c1ccccc1" . "IMACFCSSMIZSPP-UHFFFAOYSA-N" . "InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2" . "CCCCCC(=O)C=CC=O" . "CCCCCC(=O)/C=C/C=O" . "SEPPVOUBHWNCAW-FNORWQNLSA-N" . "InChI=1S/C9H14O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-8H,2-4,6H2,1H3/b7-5+" . "O=C(c1ccc(cc1)[N+](=O)[O-])Oc1coc(cc1=O)CSc1ncccn1" . "O=C(c1ccc(cc1)[N+](=O)[O-])Oc1coc(cc1=O)CSc1ncccn1" . "UASIRTUMPRQVFY-UHFFFAOYSA-N" . "InChI=1S/C17H11N3O6S/c21-14-8-13(10-27-17-18-6-1-7-19-17)25-9-15(14)26-16(22)11-2-4-12(5-3-11)20(23)24/h1-9H,10H2" . "CC(=CCSc1ccccc1C(=O)O)CCC=C(CCC=C(C)C)C" . "C/C(=C/CSc1ccccc1C(=O)O)/CC/C=C(/CCC=C(C)C)/C" . "WUILNKCFCLNXOK-CFBAGHHKSA-N" . "InChI=1S/C22H30O2S/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-25-21-14-6-5-13-20(21)22(23)24/h5-6,9,11,13-15H,7-8,10,12,16H2,1-4H3,(H,23,24)/b18-11+,19-15+" . "CCC(=NO)C(=Cc1ccc(cc1)F)C" . "CC/C(=N/O)/C(=C/c1ccc(cc1)F)/C" . "HKROEBDHHKMNBZ-CHBKHGQFSA-N" . "InChI=1S/C12H14FNO/c1-3-12(14-15)9(2)8-10-4-6-11(13)7-5-10/h4-8,15H,3H2,1-2H3/b9-8+,14-12+" . "CCCCCC(C=CC1C=CC(=O)C1CC=CCCCC(=O)O)O" . "CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C/CCCC(=O)O)O" . "MYHXHCUNDDAEOZ-FOSBLDSVSA-N" . "InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+/m0/s1" . "[Na]S" . "[Na]S" . "HYHCSLBZRBJJCH-UHFFFAOYSA-M" . "InChI=1S/Na.H2S/h;1H2/q+1;/p-1" . "CC=O" . "CC=O" . "IKHGUXGNUITLKF-UHFFFAOYSA-N" . "InChI=1S/C2H4O/c1-2-3/h2H,1H3" . "CCC(c1ccc(cc1)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C" . "CCC(c1ccc(cc1)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C" . "ZUTUWJYMCADJHD-UHFFFAOYSA-N" . "InChI=1S/C19H23N5O3/c1-5-12(2)13-6-8-14(9-7-13)21-15(25)10-24-11-20-17-16(24)18(26)23(4)19(27)22(17)3/h6-9,11-12H,5,10H2,1-4H3,(H,21,25)" . "Clc1cccc(c1)COCC1C2C1CN(C2)Cc1nc2c(n1C)cccn2" . "Clc1cccc(c1)COC[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1nc2c(n1C)cccn2" . "TYMQEQIUYIJHBZ-PIIMJCKOSA-N" . "InChI=1S/C21H23ClN4O/c1-25-19-6-3-7-23-21(19)24-20(25)11-26-9-16-17(10-26)18(16)13-27-12-14-4-2-5-15(22)8-14/h2-8,16-18H,9-13H2,1H3/t16-,17+,18+" . "Cn1c(CN2CC3C(C2)C3COCc2ccc(cn2)C(F)(F)F)nc2c1cccc2" . "Cn1c(CN2C[C@@H]3[C@H](C2)[C@H]3COCc2ccc(cn2)C(F)(F)F)nc2c1cccc2" . "YKYWUHHZZRBGMG-PIIMJCKOSA-N" . "InChI=1S/C22H23F3N4O/c1-28-20-5-3-2-4-19(20)27-21(28)11-29-9-16-17(10-29)18(16)13-30-12-15-7-6-14(8-26-15)22(23,24)25/h2-8,16-18H,9-13H2,1H3/t16-,17+,18+" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)O)C)C)Cc1nc[nH]c1)CO)CC(C)C)C(O)C)CCSC)CCC(=O)N)C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(CCSC)N)CC(C)C)CCCN=C(N)N)CCCN=C(N)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)O)[C@@H](C)O" . "ULUOXCRNSRVJPE-MJRHPTFMSA-N" . "InChI=1S/C90H149N29O22S2/c1-12-48(6)71(117-79(132)57(22-15-16-30-91)107-76(129)58(23-17-31-99-89(94)95)108-77(130)59(24-18-32-100-90(96)97)109-84(137)64(38-52-40-101-56-21-14-13-20-54(52)56)113-82(135)62(36-46(2)3)112-75(128)55(92)28-34-142-10)87(140)102-42-69(123)119-33-19-25-67(119)86(139)111-60(26-27-68(93)122)78(131)110-61(29-35-143-11)80(133)118-72(51(9)121)88(141)115-63(37-47(4)5)83(136)116-66(44-120)85(138)114-65(39-53-41-98-45-104-53)81(134)106-50(8)74(127)105-49(7)73(126)103-43-70(124)125/h13-14,20-21,40-41,45-51,55,57-67,71-72,101,120-121H,12,15-19,22-39,42-44,91-92H2,1-11H3,(H2,93,122)(H,98,104)(H,102,140)(H,103,126)(H,105,127)(H,106,134)(H,107,129)(H,108,130)(H,109,137)(H,110,131)(H,111,139)(H,112,128)(H,113,135)(H,114,138)(H,115,141)(H,116,136)(H,117,132)(H,118,133)(H,124,125)(H4,94,95,99)(H4,96,97,100)/t48-,49-,50-,51+,55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,71-,72-/m0/s1" . "CCCCCC(C=CC=O)O" . "CCCCCC(/C=C/C=O)O" . "JVJFIQYAHPMBBX-FNORWQNLSA-N" . "InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+" . "COC(=O)c1ccc(cc1)O" . "COC(=O)c1ccc(cc1)O" . "LXCFILQKKLGQFO-UHFFFAOYSA-N" . "InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3" . "CS(=S)(=O)OCCN" . "CS(=S)(=O)OCCN" . "HKERMLQDWIEJQS-UHFFFAOYSA-N" . "InChI=1S/C3H9NO2S2/c1-8(5,7)6-3-2-4/h2-4H2,1H3" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)CCC(=O)O)CCC(=O)N)C(C)C)CC(C)C)CCCCN)CCC(=O)N)Cc1ccccc1)Cc1ccccc1)CC(=O)N)CCCCN)C(CC)C)CCCCN)CCC(=O)N)C(CC)C)CCCCN)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)N)CO)CCCN=C(N)N)CC(C)C)C)CC(C)C)CC(C)C)CCCN=C(N)N)CCCCN)CCC(=O)O)CCCCN)CCC(=O)O)CCCCN)CC(C)C " . "CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC" . "QBSFTGGUOCPHDM-GDCSACRRSA-N" . "InChI=1S/C197H338N56O50/c1-22-112(17)158(210)189(296)247-143(105-254)186(293)235-128(65-49-89-216-197(213)214)170(277)240-136(93-107(7)8)178(285)222-116(21)163(270)218-102-154(263)226-135(92-106(5)6)179(286)243-138(95-109(11)12)181(288)234-127(64-48-88-215-196(211)212)166(273)227-119(56-32-40-80-198)164(271)219-100-150(259)217-101-151(260)224-130(71-77-155(264)265)173(280)232-125(62-38-46-86-204)176(283)250-161(114(19)24-3)191(298)221-104-153(262)225-131(72-78-156(266)267)172(279)228-121(58-34-42-82-200)167(274)241-137(94-108(9)10)180(287)233-120(57-33-41-81-199)165(272)230-124(61-37-45-85-203)175(282)249-160(113(18)23-2)190(297)220-103-152(261)223-129(68-74-146(206)255)171(278)231-126(63-39-47-87-205)177(284)251-162(115(20)25-4)192(299)237-123(60-36-44-84-202)169(276)246-142(99-149(209)258)184(291)245-141(98-118-54-30-27-31-55-118)183(290)244-140(97-117-52-28-26-29-53-117)182(289)236-132(69-75-147(207)256)174(281)229-122(59-35-43-83-201)168(275)242-139(96-110(13)14)185(292)248-159(111(15)16)194(301)253-91-51-67-145(253)187(294)238-133(70-76-148(208)257)193(300)252-90-50-66-144(252)188(295)239-134(195(302)303)73-79-157(268)269/h26-31,52-55,106-116,119-145,158-162,254H,22-25,32-51,56-105,198-205,210H2,1-21H3,(H2,206,255)(H2,207,256)(H2,208,257)(H2,209,258)(H,217,259)(H,218,270)(H,219,271)(H,220,297)(H,221,298)(H,222,285)(H,223,261)(H,224,260)(H,225,262)(H,226,263)(H,227,273)(H,228,279)(H,229,281)(H,230,272)(H,231,278)(H,232,280)(H,233,287)(H,234,288)(H,235,293)(H,236,289)(H,237,299)(H,238,294)(H,239,295)(H,240,277)(H,241,274)(H,242,275)(H,243,286)(H,244,290)(H,245,291)(H,246,276)(H,247,296)(H,248,292)(H,249,282)(H,250,283)(H,251,284)(H,264,265)(H,266,267)(H,268,269)(H,302,303)(H4,211,212,215)(H4,213,214,216)/t112-,113-,114-,115-,116-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,158-,159-,160-,161-,162-/m0/s1" . "CCCCOc1ccc(cc1)C(=O)NN1C(Nc2c(C1=O)cccc2)c1ccc(cc1)OC" . "CCCCOc1ccc(cc1)C(=O)NN1C(Nc2c(C1=O)cccc2)c1ccc(cc1)OC" . "XORVAHQXRDLSFT-UHFFFAOYSA-N" . "InChI=1S/C26H27N3O4/c1-3-4-17-33-21-15-11-19(12-16-21)25(30)28-29-24(18-9-13-20(32-2)14-10-18)27-23-8-6-5-7-22(23)26(29)31/h5-16,24,27H,3-4,17H2,1-2H3,(H,28,30)" . "CC(C1CNC(=O)C(=O)N1CC1CCCN1CC(N1CC(Cc2ccc(cc2)O)N(C(=O)C1=O)CC1CCCCC1)Cc1ccc2c(c1)cccc2)C" . "CC([C@H]1CNC(=O)C(=O)N1C[C@@H]1CCCN1C[C@H](N1C[C@@H](Cc2ccc(cc2)O)N(C(=O)C1=O)CC1CCCCC1)Cc1ccc2c(c1)cccc2)C" . "RWNPDBWKKCTTOI-WIQNKZILSA-N" . "InChI=1S/C43H55N5O5/c1-29(2)39-24-44-40(50)41(51)48(39)27-35-13-8-20-45(35)26-36(23-32-14-17-33-11-6-7-12-34(33)21-32)47-28-37(22-30-15-18-38(49)19-16-30)46(42(52)43(47)53)25-31-9-4-3-5-10-31/h6-7,11-12,14-19,21,29,31,35-37,39,49H,3-5,8-10,13,20,22-28H2,1-2H3,(H,44,50)/t35-,36+,37+,39+/m0/s1" . "COc1ccc(cc1OC)CCN(C1CCCC(C1)N1CCc2c(CC1=O)cc(c(c2)OC)OC)C" . "COc1ccc(cc1OC)CCN(C1CCCC(C1)N1CCc2c(CC1=O)cc(c(c2)OC)OC)C" . "IUAVZEYOWYFRAS-UHFFFAOYSA-N" . "InChI=1S/C29H40N2O5/c1-30(13-11-20-9-10-25(33-2)26(15-20)34-3)23-7-6-8-24(19-23)31-14-12-21-16-27(35-4)28(36-5)17-22(21)18-29(31)32/h9-10,15-17,23-24H,6-8,11-14,18-19H2,1-5H3" . "OC1C2OP(=O)(O)OCC2OC1n1ccc(nc1=O)N" . "O[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]2O[C@H]1n1ccc(nc1=O)N" . "WCPTXJJVVDAEMW-XVFCMESISA-N" . "InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8-/m1/s1" . "COc1cc(ccc1OC)C(CN(CC=CCN1C=Cc2c(CC1=O)cc(c(c2)OC)OC)CC=CCN1C=Cc2c(CC1=O)cc(c(c2)OC)OC)C" . "COc1cc(ccc1OC)[C@H](CN(C/C=C/CN1C=Cc2c(CC1=O)cc(c(c2)OC)OC)C/C=C/CN1C=Cc2c(CC1=O)cc(c(c2)OC)OC)C" . "WCJGGTAAPIAIJS-PSEQGZRXSA-N" . "InChI=1S/C43H51N3O8/c1-30(31-12-13-36(49-2)37(22-31)50-3)29-44(16-8-10-18-45-20-14-32-23-38(51-4)40(53-6)25-34(32)27-42(45)47)17-9-11-19-46-21-15-33-24-39(52-5)41(54-7)26-35(33)28-43(46)48/h8-15,20-26,30H,16-19,27-29H2,1-7H3/b10-8-,11-9-/t30-/m0/s1" . "Cn1cnc(c1)C(=O)NCc1ccc(cc1)COc1ccc(c(c1C(F)(F)F)O)C(=O)C(C)C" . "Cn1cnc(c1)C(=O)NCc1ccc(cc1)COc1ccc(c(c1C(F)(F)F)O)C(=O)C(C)C" . "RYINQFMHVVYWNS-UHFFFAOYSA-N" . "InChI=1S/C24H24F3N3O4/c1-14(2)21(31)17-8-9-19(20(22(17)32)24(25,26)27)34-12-16-6-4-15(5-7-16)10-28-23(33)18-11-30(3)13-29-18/h4-9,11,13-14,32H,10,12H2,1-3H3,(H,28,33)" . "CCS(=O)(=O)N(c1ccc(cc1)Oc1ccc(cc1)C(=O)N)Cc1cccnc1" . "CCS(=O)(=O)N(c1ccc(cc1)Oc1ccc(cc1)C(=O)N)Cc1cccnc1" . "VCBPWPYIGXFKDH-UHFFFAOYSA-N" . "InChI=1S/C21H21N3O4S/c1-2-29(26,27)24(15-16-4-3-13-23-14-16)18-7-11-20(12-8-18)28-19-9-5-17(6-10-19)21(22)25/h3-14H,2,15H2,1H3,(H2,22,25)" . "FC(CS(=O)(=O)N(c1cccc(c1)OC1CCCC1)Cc1cccnc1)(F)F" . "FC(CS(=O)(=O)N(c1cccc(c1)OC1CCCC1)Cc1cccnc1)(F)F" . "WCYYNLFGFUQJMF-UHFFFAOYSA-N" . "InChI=1S/C19H21F3N2O3S/c20-19(21,22)14-28(25,26)24(13-15-5-4-10-23-12-15)16-6-3-9-18(11-16)27-17-7-1-2-8-17/h3-6,9-12,17H,1-2,7-8,13-14H2" . "Clc1ccc(nc1)COCC1C2C1CN(C2)Cc1nc2c(n1C)cccc2" . "Clc1ccc(nc1)COC[C@@H]1[C@@H]2[C@H]1CN(C2)Cc1nc2c(n1C)cccc2" . "XOVYESUODKGPJX-PIIMJCKOSA-N" . "InChI=1S/C21H23ClN4O/c1-25-20-5-3-2-4-19(20)24-21(25)11-26-9-16-17(10-26)18(16)13-27-12-15-7-6-14(22)8-23-15/h2-8,16-18H,9-13H2,1H3/t16-,17+,18+" . "Clc1cnc(nc1)N1CCN(CC1)Cc1nc2c(n1C)cccc2" . "Clc1cnc(nc1)N1CCN(CC1)Cc1nc2c(n1C)cccc2" . "IXXZGBOSQDVMTC-UHFFFAOYSA-N" . "InChI=1S/C17H19ClN6/c1-22-15-5-3-2-4-14(15)21-16(22)12-23-6-8-24(9-7-23)17-19-10-13(18)11-20-17/h2-5,10-11H,6-9,12H2,1H3" . "Clc1cc(cnc1N1CCN(CC1)Cc1nc2c(n1C)cccc2)C(F)(F)F" . "Clc1cc(cnc1N1CCN(CC1)Cc1nc2c(n1C)cccc2)C(F)(F)F" . "BQOUGDGGUWVLTD-UHFFFAOYSA-N" . "InChI=1S/C19H19ClF3N5/c1-26-16-5-3-2-4-15(16)25-17(26)12-27-6-8-28(9-7-27)18-14(20)10-13(11-24-18)19(21,22)23/h2-5,10-11H,6-9,12H2,1H3" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)C(O)C)CC(C)C)C(CC)C)CC(=O)N)C(CC)C)Cc1ccccc1)Cc1ccc(cc1)O)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O)[C@@H](C)CC" . "LZOIGVDSAMDBIO-LXWJMTKESA-N" . "InChI=1S/C55H86N10O13S/c1-11-31(7)44(52(74)60-38(24-29(3)4)49(71)65-46(33(9)66)54(76)62-42(55(77)78)25-30(5)6)64-51(73)41(28-43(57)68)61-53(75)45(32(8)12-2)63-50(72)40(26-34-16-14-13-15-17-34)59-48(70)39(27-35-18-20-36(67)21-19-35)58-47(69)37(56)22-23-79-10/h13-21,29-33,37-42,44-46,66-67H,11-12,22-28,56H2,1-10H3,(H2,57,68)(H,58,69)(H,59,70)(H,60,74)(H,61,75)(H,62,76)(H,63,72)(H,64,73)(H,65,71)(H,77,78)/t31-,32-,33+,37-,38-,39-,40-,41-,42-,44-,45-,46-/m0/s1" . "Cc1ccnc(n1)Nc1sc(c(n1)c1c[nH]nc1)C" . "Cc1ccnc(n1)Nc1sc(c(n1)c1c[nH]nc1)C" . "MIQNXKWDQRNHAU-UHFFFAOYSA-N" . "InChI=1S/C12H12N6S/c1-7-3-4-13-11(16-7)18-12-17-10(8(2)19-12)9-5-14-15-6-9/h3-6H,1-2H3,(H,14,15)(H,13,16,17,18)" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1nc[nH]c1)C)CCC(=O)N)CCCN=C(N)N)C(CC)C)C(O)C)C(CC)C)C(CC)C)CC(=O)N)NC(=O)C(C(O)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1CCCN1C(=O)CNC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(C(O)C)N)CCCN=C(N)N)CC(=O)N)Cc1ccc(cc1)O)CC(=O)N)CCCCN)CCCN=C(N)N)CCCCN)CCCN=C(N)N)Cc1nc[nH]c1)CCCN=C(N)N)C)Cc1ccccc1)Cc1ccc(cc1)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O" . "LGGRPYXPOUIMKG-OJICBBQQSA-N" . "InChI=1S/C172H282N60O43/c1-17-85(6)130(224-154(262)116(74-100-79-193-84-203-100)222-162(270)132(87(8)19-3)225-148(256)109(46-34-66-197-171(188)189)209-143(251)104(40-25-28-60-173)207-145(253)107(44-32-64-195-169(184)185)208-144(252)105(41-26-29-61-174)210-151(259)117(75-123(177)240)220-150(258)114(71-97-50-54-101(237)55-51-97)217-152(260)118(76-124(178)241)221-157(265)121-49-37-69-232(121)167(275)111(47-35-67-198-172(190)191)214-158(266)129(180)92(13)233)160(268)201-82-128(245)231-68-36-48-120(231)156(264)199-80-126(243)206-103(43-31-63-194-168(182)183)141(249)204-91(12)140(248)216-113(70-96-38-23-22-24-39-96)149(257)218-115(72-98-52-56-102(238)57-53-98)153(261)229-137(95(16)236)166(274)230-136(94(15)235)164(272)213-106(42-27-30-62-175)147(255)219-119(77-125(179)242)155(263)226-134(89(10)21-5)163(271)227-131(86(7)18-2)159(267)200-81-127(244)223-135(93(14)234)165(273)228-133(88(9)20-4)161(269)212-108(45-33-65-196-170(186)187)146(254)211-110(58-59-122(176)239)142(250)205-90(11)139(247)215-112(138(181)246)73-99-78-192-83-202-99/h22-24,38-39,50-57,78-79,83-95,103-121,129-137,233-238H,17-21,25-37,40-49,58-77,80-82,173-175,180H2,1-16H3,(H2,176,239)(H2,177,240)(H2,178,241)(H2,179,242)(H2,181,246)(H,192,202)(H,193,203)(H,199,264)(H,200,267)(H,201,268)(H,204,249)(H,205,250)(H,206,243)(H,207,253)(H,208,252)(H,209,251)(H,210,259)(H,211,254)(H,212,269)(H,213,272)(H,214,266)(H,215,247)(H,216,248)(H,217,260)(H,218,257)(H,219,255)(H,220,258)(H,221,265)(H,222,270)(H,223,244)(H,224,262)(H,225,256)(H,226,263)(H,227,271)(H,228,273)(H,229,261)(H,230,274)(H4,182,183,194)(H4,184,185,195)(H4,186,187,196)(H4,188,189,197)(H4,190,191,198)/t85-,86-,87-,88-,89-,90-,91-,92+,93+,94+,95+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,129-,130-,131-,132-,133-,134-,135-,136-,137-/m0/s1" . "[O-]C(=O)C[C@H](C[N+](C)(C)C)OC(=O)C" . "[O-]C(=O)C[C@H](C[N+](C)(C)C)OC(=O)C" . "RDHQFKQIGNGIED-MRVPVSSYSA-N" . "InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m1/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCC(=O)O)CCC(=O)N)Cc1c[nH]c2c1cccc2)CCSC)CC(=O)N)C(CC)C)Cc1ccccc1)CCC(=O)N)NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(C(O)C)NC(=O)C(C(CC)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(CCC(=O)O)N)CO)CC(=O)O)CC(C)C)CS)CCCN=C(N)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O" . "ITFICYZHWXDVMU-IPTZIORSSA-N" . "InChI=1S/C110H173N29O34S2/c1-12-54(6)85(134-95(158)65(29-22-41-118-110(116)117)122-101(164)76(52-174)133-102(165)77-30-23-42-139(77)108(171)74(44-53(4)5)132-106(169)88(57(9)141)138-105(168)87(56(8)14-3)136-107(170)89(58(10)142)137-99(162)73(48-84(151)152)130-100(163)75(51-140)121-81(146)50-120-90(153)62(112)31-37-82(147)148)103(166)126-64(28-20-21-40-111)91(154)123-67(33-36-79(114)144)93(156)128-70(45-59-24-16-15-17-25-59)98(161)135-86(55(7)13-2)104(167)131-72(47-80(115)145)97(160)125-68(39-43-175-11)94(157)129-71(46-60-49-119-63-27-19-18-26-61(60)63)96(159)124-66(32-35-78(113)143)92(155)127-69(109(172)173)34-38-83(149)150/h15-19,24-27,49,53-58,62,64-77,85-89,119,140-142,174H,12-14,20-23,28-48,50-52,111-112H2,1-11H3,(H2,113,143)(H2,114,144)(H2,115,145)(H,120,153)(H,121,146)(H,122,164)(H,123,154)(H,124,159)(H,125,160)(H,126,166)(H,127,155)(H,128,156)(H,129,157)(H,130,163)(H,131,167)(H,132,169)(H,133,165)(H,134,158)(H,135,161)(H,136,170)(H,137,162)(H,138,168)(H,147,148)(H,149,150)(H,151,152)(H,172,173)(H4,116,117,118)/t54-,55-,56-,57+,58+,62-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,85-,86-,87-,88-,89-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)C(CC)C)CCCN=C(N)N)C)CCC(=O)N)CC(C)C)CCC(=O)N)NC(=O)C(C(CC)C)NC(=O)CNC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(C(C)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(C(CC)C)NC(=O)CNC(=O)C(CO)N)CCC(=O)N)CCC(=O)N)CCC(=O)N)CC(=O)N)CC(=O)N)CC(C)C)CC(C)C)CCCN=C(N)N)C)CCC(=O)O)C)CCC(=O)N)CCC(=O)N)Cc1nc[nH]c1)CC(C)C)CC(C)C)CCC(=O)N)CC(C)C " . "CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CO)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC" . "BUGHAHAULLHLAQ-FYXAMSKRSA-N" . "InChI=1S/C184H310N56O51/c1-31-93(23)144(177(285)220-106(43-37-38-64-185)157(265)214-112(49-58-132(190)246)161(269)223-118(67-84(5)6)167(275)218-109(46-55-129(187)243)155(263)208-97(27)149(257)211-108(45-40-66-203-184(199)200)165(273)239-147(96(26)34-4)179(287)233-128(182(290)291)73-90(17)18)234-140(254)81-206-153(261)124(74-101-78-204-105-42-36-35-41-103(101)105)232-176(284)143(92(21)22)237-181(289)148(100(30)242)240-174(282)123(72-89(15)16)224-162(270)115(52-61-135(193)249)219-168(276)120(69-86(9)10)226-169(277)121(70-87(11)12)227-171(279)125(75-102-79-201-83-207-102)229-163(271)113(50-59-133(191)247)216-158(266)110(47-56-130(188)244)212-150(258)98(28)209-156(264)117(54-63-141(255)256)222-178(286)146(95(25)33-3)238-151(259)99(29)210-154(262)107(44-39-65-202-183(197)198)213-166(274)119(68-85(7)8)225-170(278)122(71-88(13)14)228-172(280)127(77-138(196)252)231-173(281)126(76-137(195)251)230-164(272)114(51-60-134(192)248)217-159(267)111(48-57-131(189)245)215-160(268)116(53-62-136(194)250)221-175(283)142(91(19)20)236-180(288)145(94(24)32-2)235-139(253)80-205-152(260)104(186)82-241/h35-36,41-42,78-79,83-100,104,106-128,142-148,204,241-242H,31-34,37-40,43-77,80-82,185-186H2,1-30H3,(H2,187,243)(H2,188,244)(H2,189,245)(H2,190,246)(H2,191,247)(H2,192,248)(H2,193,249)(H2,194,250)(H2,195,251)(H2,196,252)(H,201,207)(H,205,260)(H,206,261)(H,208,263)(H,209,264)(H,210,262)(H,211,257)(H,212,258)(H,213,274)(H,214,265)(H,215,268)(H,216,266)(H,217,267)(H,218,275)(H,219,276)(H,220,285)(H,221,283)(H,222,286)(H,223,269)(H,224,270)(H,225,278)(H,226,277)(H,227,279)(H,228,280)(H,229,271)(H,230,272)(H,231,281)(H,232,284)(H,233,287)(H,234,254)(H,235,253)(H,236,288)(H,237,289)(H,238,259)(H,239,273)(H,240,282)(H,255,256)(H,290,291)(H4,197,198,202)(H4,199,200,203)/t93-,94-,95-,96-,97-,98-,99-,100+,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,142-,143-,144-,145-,146-,147-,148-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(C(=O)NCC(=O)O)CC(C)C)C(C)C)C(C)C)C)C)C)C)C)C)CCSC)Cc1nc[nH]c1)NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(CCCCN)N)CC(=O)N)CCSC " . "CSCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)C(C)C)C(C)C" . "XPZWWTIIKSODDO-MBNDGZRNSA-N" . "InChI=1S/C80H138N26O24S2/c1-38(2)28-53(72(122)90-36-61(113)114)98-60(112)33-86-57(109)32-89-78(128)62(39(3)4)105-79(129)63(40(5)6)104-70(120)44(10)93-59(111)35-87-65(115)41(7)94-68(118)45(11)96-69(119)46(12)95-67(117)43(9)92-58(110)34-88-66(116)42(8)97-73(123)51(22-26-131-14)100-76(126)54(29-48-31-85-37-91-48)102-74(124)50(21-17-19-25-82)99-75(125)52(23-27-132-15)101-77(127)55(30-56(84)108)103-80(130)64(47(13)107)106-71(121)49(83)20-16-18-24-81/h31,37-47,49-55,62-64,107H,16-30,32-36,81-83H2,1-15H3,(H2,84,108)(H,85,91)(H,86,109)(H,87,115)(H,88,116)(H,89,128)(H,90,122)(H,92,110)(H,93,111)(H,94,118)(H,95,117)(H,96,119)(H,97,123)(H,98,112)(H,99,125)(H,100,126)(H,101,127)(H,102,124)(H,103,130)(H,104,120)(H,105,129)(H,106,121)(H,113,114)/t41-,42-,43-,44-,45-,46-,47+,49-,50-,51-,52-,53-,54-,55-,62-,63-,64-/m0/s1" . "ON=C1c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)OC" . "O/N=C/1/c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)OC" . "VRGVOWFKLSZRDR-SILNSSARSA-N" . "InChI=1S/C18H16N2O4/c1-23-12-8-6-11(7-9-12)19-17(21)18-10-14(18)16(20-22)13-4-2-3-5-15(13)24-18/h2-9,14,22H,10H2,1H3,(H,19,21)/b20-16-" . "ON=C1c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)C" . "O/N=C/1/c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)C" . "VKCTUZKPBYSTDW-SILNSSARSA-N" . "InChI=1S/C18H16N2O3/c1-11-6-8-12(9-7-11)19-17(21)18-10-14(18)16(20-22)13-4-2-3-5-15(13)23-18/h2-9,14,22H,10H2,1H3,(H,19,21)/b20-16-" . "CSCCC(C(=O)O)NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(CC(C)C)N)CCC(=O)O)CO)Cc1ccccc1)CCCN=C(N)N)CO)CC(C)C)CC(C)C)Cc1ccccc1)CCCN=C(N)N" . "CSCC[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N)CCC(=O)O)CO)Cc1ccccc1)CCCN=C(N)N)CO)CC(C)C)CC(C)C)Cc1ccccc1)CCCN=C(N)N" . "PWBQRCXCXXGUGY-AJOXZCOLSA-N" . "InChI=1S/C75H123N19O18S/c1-12-44(10)60(94-70(108)57(39-96)92-63(101)50(27-28-58(97)98)83-61(99)47(76)33-40(2)3)72(110)90-55(37-46-23-17-14-18-24-46)68(106)84-48(25-19-30-81-74(77)78)62(100)91-56(38-95)69(107)88-53(35-42(6)7)65(103)87-52(34-41(4)5)66(104)89-54(36-45-21-15-13-16-22-45)67(105)85-49(26-20-31-82-75(79)80)64(102)93-59(43(8)9)71(109)86-51(73(111)112)29-32-113-11/h13-18,21-24,40-44,47-57,59-60,95-96H,12,19-20,25-39,76H2,1-11H3,(H,83,99)(H,84,106)(H,85,105)(H,86,109)(H,87,103)(H,88,107)(H,89,104)(H,90,110)(H,91,100)(H,92,101)(H,93,102)(H,94,108)(H,97,98)(H,111,112)(H4,77,78,81)(H4,79,80,82)/t44-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,59-,60-/m0/s1" . "CCC=CCC(C=CC=CC=CC=CC(C(CC=CCCC(=O)O)O)O)O" . "CC/C=C/C[C@H](/C=C/C=C/C=C/C=C/[C@H]([C@H](C/C=C/CCC(=O)O)O)O)O" . "OIWTWACQMDFHJG-BJEBZIPWSA-N" . "InChI=1S/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,20-,21+/m1/s1" . "NOCC1CCCCC1C(=O)Nc1ccc(c(c1)Cl)Cl" . "NOC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(c(c1)Cl)Cl" . "MBRLECISJUKSAN-ONGXEEELSA-N" . "InChI=1S/C14H18Cl2N2O2/c15-12-6-5-10(7-13(12)16)18-14(19)11-4-2-1-3-9(11)8-20-17/h5-7,9,11H,1-4,8,17H2,(H,18,19)/t9-,11-/m0/s1" . "c1ccc(cc1)N1NCC(C1)c1ccnc2c1cccc2" . "c1ccc(cc1)N1NCC(C1)c1ccnc2c1cccc2" . "KQNXOSZPTJGHDO-UHFFFAOYSA-N" . "InChI=1S/C18H17N3/c1-2-6-15(7-3-1)21-13-14(12-20-21)16-10-11-19-18-9-5-4-8-17(16)18/h1-11,14,20H,12-13H2" . "Nc1nccc(n1)C=Cc1ccccc1" . "Nc1nccc(n1)/C=C/c1ccccc1" . "LNUXNUNUGIHCPA-VOTSOKGWSA-N" . "InChI=1S/C12H11N3/c13-12-14-9-8-11(15-12)7-6-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)/b7-6+" . "Clc1cccc(c1)NC(=O)c1ccccn1" . "Clc1cccc(c1)NC(=O)c1ccccn1" . "SUYUTNCKIOLMAJ-UHFFFAOYSA-N" . "InChI=1S/C12H9ClN2O/c13-9-4-3-5-10(8-9)15-12(16)11-6-1-2-7-14-11/h1-8H,(H,15,16)" . "O=C1C2C3C=CC(C2C(=O)N1c1ccc(cc1Cl)NC(=O)c1ccccn1)C3" . "O=C1C2[C@H]3C=C[C@@H]([C@H]2C(=O)N1c1ccc(cc1Cl)NC(=O)c1ccccn1)C3" . "LJUABYFUJVRUSJ-KNGMQDLYSA-N" . "InChI=1S/C21H16ClN3O3/c22-14-10-13(24-19(26)15-3-1-2-8-23-15)6-7-16(14)25-20(27)17-11-4-5-12(9-11)18(17)21(25)28/h1-8,10-12,17-18H,9H2,(H,24,26)/t11-,12+,17-,18?/m1/s1" . "c1ccc(nc1)Nc1scc(n1)c1c[nH]nc1" . "c1ccc(nc1)Nc1scc(n1)c1c[nH]nc1" . "WIILZWDTWZFGNO-UHFFFAOYSA-N" . "InChI=1S/C11H9N5S/c1-2-4-12-10(3-1)16-11-15-9(7-17-11)8-5-13-14-6-8/h1-7H,(H,13,14)(H,12,15,16)" . "c1ccc(nc1)Nc1sc2c(n1)c1c[nH]nc1CCC2" . "c1ccc(nc1)Nc1sc2c(n1)c1c[nH]nc1CCC2" . "DBISXWCOHGUFSF-UHFFFAOYSA-N" . "InChI=1S/C14H13N5S/c1-2-7-15-12(6-1)17-14-18-13-9-8-16-19-10(9)4-3-5-11(13)20-14/h1-2,6-8H,3-5H2,(H,16,19)(H,15,17,18)" . "ON=C1c2ccccc2OC2(C1C2)C(=O)Nc1ccccn1" . "O/N=C/1/c2ccccc2OC2(C1C2)C(=O)Nc1ccccn1" . "NAPZSTOOVHXHKA-RGEXLXHISA-N" . "InChI=1S/C16H13N3O3/c20-15(18-13-7-3-4-8-17-13)16-9-11(16)14(19-21)10-5-1-2-6-12(10)22-16/h1-8,11,21H,9H2,(H,17,18,20)/b19-14-" . "Cc1ccc(cc1)N1C(Nc2c(C1=O)cccc2)C(c1ccccc1)C" . "Cc1ccc(cc1)N1C(Nc2c(C1=O)cccc2)C(c1ccccc1)C" . "QZAOSZVJAXUJFE-UHFFFAOYSA-N" . "InChI=1S/C23H22N2O/c1-16-12-14-19(15-13-16)25-22(17(2)18-8-4-3-5-9-18)24-21-11-7-6-10-20(21)23(25)26/h3-15,17,22,24H,1-2H3" . "Oc1ccc(cc1)C=NNc1nc2ccccc2nc1C" . "Oc1ccc(cc1)/C=N/Nc1nc2ccccc2nc1C" . "WDPUHMPVZBSBGB-LICLKQGHSA-N" . "InChI=1S/C16H14N4O/c1-11-16(19-15-5-3-2-4-14(15)18-11)20-17-10-12-6-8-13(21)9-7-12/h2-10,21H,1H3,(H,19,20)/b17-10+" . "CC1CCCN(C1)c1ncnc2c1cnn2c1ccc(cc1C)C" . "CC1CCCN(C1)c1ncnc2c1cnn2c1ccc(cc1C)C" . "CLQVVBPDAXJGBV-UHFFFAOYSA-N" . "InChI=1S/C19H23N5/c1-13-6-7-17(15(3)9-13)24-19-16(10-22-24)18(20-12-21-19)23-8-4-5-14(2)11-23/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3" . "O=C1CC(=Nc2c(N1)cc(c(c2)C)C(F)(F)F)c1cccc(c1)c1cc(C)nc(c1)C" . "O=C1CC(=Nc2c(N1)cc(c(c2)C)C(F)(F)F)c1cccc(c1)c1cc(C)nc(c1)C" . "LYTVXCQQTLUEQR-UHFFFAOYSA-N" . "InChI=1S/C24H20F3N3O/c1-13-7-21-22(11-19(13)24(25,26)27)30-23(31)12-20(29-21)17-6-4-5-16(10-17)18-8-14(2)28-15(3)9-18/h4-11H,12H2,1-3H3,(H,30,31)" . "OCC1CCCN(C1)C(=O)c1ccc(cc1)C#Cc1ccc(cc1)OC" . "OC[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)C#Cc1ccc(cc1)OC" . "VSLWUPHHCFQTDB-LJQANCHMSA-N" . "InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m1/s1" . "ON=C1c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)Cl" . "O/N=C/1/c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)Cl" . "ZRURMLHGCOJTNX-HKWRFOASSA-N" . "InChI=1S/C17H13ClN2O3/c18-10-5-7-11(8-6-10)19-16(21)17-9-13(17)15(20-22)12-3-1-2-4-14(12)23-17/h1-8,13,22H,9H2,(H,19,21)/b20-15-" . "N#Cc1nccc(c1)C1=Nc2ccc(cc2NC(=O)CC1)Br" . "N#Cc1nccc(c1)C1=Nc2ccc(cc2NC(=O)CC1)Br" . "JNLRDCDCGXPNKH-DEDYPNTBSA-N" . "InChI=1S/C16H11BrN4O/c17-11-1-2-14-15(8-11)21-16(22)4-3-13(20-14)10-5-6-19-12(7-10)9-18/h1-2,5-8H,3-4H2,(H,21,22)/b20-13+" . "O=C1CCC(=Nc2c(N1)ccc(c2)Br)c1cccc(c1)c1ccncc1" . "O=C1CCC(=Nc2c(N1)ccc(c2)Br)c1cccc(c1)c1ccncc1" . "BLAQAVITPVXJJS-HKOYGPOVSA-N" . "InChI=1S/C21H16BrN3O/c22-17-4-5-19-20(13-17)24-18(6-7-21(26)25-19)16-3-1-2-15(12-16)14-8-10-23-11-9-14/h1-5,8-13H,6-7H2,(H,25,26)/b24-18+" . "N#Cc1cccc(c1)C1=Nc2ccc(cc2NC(=O)CC1)I" . "N#Cc1cccc(c1)C1=Nc2ccc(cc2NC(=O)CC1)I" . "SJYIGECDHTXFFG-XSFVSMFZSA-N" . "InChI=1S/C17H12IN3O/c18-13-4-5-15-16(9-13)21-17(22)7-6-14(20-15)12-3-1-2-11(8-12)10-19/h1-5,8-9H,6-7H2,(H,21,22)/b20-14+" . "Cn1c(cc2c(c1=O)c(no2)c1ccccc1)c1ccccc1" . "Cn1c(cc2c(c1=O)c(no2)c1ccccc1)c1ccccc1" . "LCNDUGHNYMJGIW-UHFFFAOYSA-N" . "InChI=1S/C19H14N2O2/c1-21-15(13-8-4-2-5-9-13)12-16-17(19(21)22)18(20-23-16)14-10-6-3-7-11-14/h2-12H,1H3" . "CCc1nc2c(o1)CC(CC2=O)c1ccc(cc1C)C" . "CCc1nc2c(o1)CC(CC2=O)c1ccc(cc1C)C" . "CPKZCQHJDFSOJT-UHFFFAOYSA-N" . "InChI=1S/C17H19NO2/c1-4-16-18-17-14(19)8-12(9-15(17)20-16)13-6-5-10(2)7-11(13)3/h5-7,12H,4,8-9H2,1-3H3" . "O=c1cc(oc2c1ccc1c2cccc1)N1CCOCC1" . "O=c1cc(oc2c1ccc1c2cccc1)N1CCOCC1" . "KKTZALUTXUZPSN-UHFFFAOYSA-N" . "InChI=1S/C17H15NO3/c19-15-11-16(18-7-9-20-10-8-18)21-17-13-4-2-1-3-12(13)5-6-14(15)17/h1-6,11H,7-10H2" . "CCC(c1ccc(cc1)NC(=O)CSCc1ccc(cc1)Br)C" . "CCC(c1ccc(cc1)NC(=O)CSCc1ccc(cc1)Br)C" . "QKUYZJOTWYRWNF-UHFFFAOYSA-N" . "InChI=1S/C19H22BrNOS/c1-3-14(2)16-6-10-18(11-7-16)21-19(22)13-23-12-15-4-8-17(20)9-5-15/h4-11,14H,3,12-13H2,1-2H3,(H,21,22)" . "COc1ccc(cc1)c1cnc2n(c1)ncc2c1cscc1" . "COc1ccc(cc1)c1cnc2n(c1)ncc2c1cscc1" . "HBWLNACPIFKNIP-UHFFFAOYSA-N" . "InChI=1S/C17H13N3OS/c1-21-15-4-2-12(3-5-15)14-8-18-17-16(9-19-20(17)10-14)13-6-7-22-11-13/h2-11H,1H3" . "C#CCNc1ccnc2c1c1ncn(c(=O)c1s2)c1ccc(cc1)OC" . "C#CCNc1ccnc2c1c1ncn(c(=O)c1s2)c1ccc(cc1)OC" . "WIAAIYJUCDAKFY-UHFFFAOYSA-N" . "InChI=1S/C19H14N4O2S/c1-3-9-20-14-8-10-21-18-15(14)16-17(26-18)19(24)23(11-22-16)12-4-6-13(25-2)7-5-12/h1,4-8,10-11H,9H2,2H3,(H,20,21)" . "C#CCNc1ccnc2c1c1ncn(c(=O)c1s2)c1ccc(cc1)Cl" . "C#CCNc1ccnc2c1c1ncn(c(=O)c1s2)c1ccc(cc1)Cl" . "MAYHTEHJUHRFSA-UHFFFAOYSA-N" . "InChI=1S/C18H11ClN4OS/c1-2-8-20-13-7-9-21-17-14(13)15-16(25-17)18(24)23(10-22-15)12-5-3-11(19)4-6-12/h1,3-7,9-10H,8H2,(H,20,21)" . "CC(Nc1ncnc(c1)c1csc(n1)N(C(=O)c1ccc(cc1)F)C)C" . "CC(Nc1ncnc(c1)c1csc(n1)N(C(=O)c1ccc(cc1)[18F])C)C" . "WIVGIKIKQHUFOD-AWDFDDCISA-N" . "InChI=1S/C18H18FN5OS/c1-11(2)22-16-8-14(20-10-21-16)15-9-26-18(23-15)24(3)17(25)12-4-6-13(19)7-5-12/h4-11H,1-3H3,(H,20,21,22)/i19-1" . "COc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(ccn1)N(C)C" . "[11CH3]Oc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(ccn1)N(C)C" . "COQPVKMATNFNLG-KTXUZGJCSA-N" . "InChI=1S/C18H16N4O2S/c1-21(2)13-8-9-19-17-14(13)15-16(25-17)18(23)22(10-20-15)11-4-6-12(24-3)7-5-11/h4-10H,1-3H3/i3-1" . "CCc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(ccn1)N(C)C" . "CCc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(ccn1)N(C)C" . "VCUKKMIXURRDKL-UHFFFAOYSA-N" . "InChI=1S/C19H18N4OS/c1-4-12-5-7-13(8-6-12)23-11-21-16-15-14(22(2)3)9-10-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3" . "Cc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(N)nc(n1)C" . "Cc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(N)nc(n1)C" . "RIMQNIZNDUNPQK-UHFFFAOYSA-N" . "InChI=1S/C16H13N5OS/c1-8-3-5-10(6-4-8)21-7-18-12-11-14(17)19-9(2)20-15(11)23-13(12)16(21)22/h3-7H,1-2H3,(H2,17,19,20)" . "Cc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(N)nc(n1)N" . "Cc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(N)nc(n1)N" . "NGINYBBVZOLUBV-UHFFFAOYSA-N" . "InChI=1S/C15H12N6OS/c1-7-2-4-8(5-3-7)21-6-18-10-9-12(16)19-15(17)20-13(9)23-11(10)14(21)22/h2-6H,1H3,(H4,16,17,19,20)" . "OCC1CCN(CC1)c1ncc(nc1)C(=O)NC1CCCCC1" . "OCC1CCN(CC1)c1ncc(nc1)C(=O)NC1CCCCC1" . "JKQOZEOZKKMWQL-UHFFFAOYSA-N" . "InChI=1S/C17H26N4O2/c22-12-13-6-8-21(9-7-13)16-11-18-15(10-19-16)17(23)20-14-4-2-1-3-5-14/h10-11,13-14,22H,1-9,12H2,(H,20,23)" . "O=C(c1ccc(cc1)N(=O)=O)Nc1c(cnn1c1ccccc1)c1ccccc1" . "O=C(c1ccc(cc1)N(=O)=O)Nc1c(cnn1c1ccccc1)c1ccccc1" . "UCQCMSNDKYLLFD-UHFFFAOYSA-N" . "InChI=1S/C22H16N4O3/c27-22(17-11-13-19(14-12-17)26(28)29)24-21-20(16-7-3-1-4-8-16)15-23-25(21)18-9-5-2-6-10-18/h1-15H,(H,24,27)" . "CCn1nnc(n1)NC(=O)C1c2ccccc2Oc2c1cccc2" . "CCn1nnc(n1)NC(=O)C1c2ccccc2Oc2c1cccc2" . "HVTLYEBQNBWUIT-UHFFFAOYSA-N" . "InChI=1S/C17H15N5O2/c1-2-22-20-17(19-21-22)18-16(23)15-11-7-3-5-9-13(11)24-14-10-6-4-8-12(14)15/h3-10,15H,2H2,1H3,(H,18,20,23)" . "O=C(C1c2ccccc2Oc2c1cccc2)Nc1noc(n1)C" . "O=C(C1c2ccccc2Oc2c1cccc2)Nc1noc(n1)C" . "KXBNLKGEYKHKAO-UHFFFAOYSA-N" . "InChI=1S/C17H13N3O3/c1-10-18-17(20-23-10)19-16(21)15-11-6-2-4-8-13(11)22-14-9-5-3-7-12(14)15/h2-9,15H,1H3,(H,19,20,21)" . "O=C(C1c2ccccc2Oc2c1cccc2)Nc1occ(n1)C(F)(F)F" . "O=C(C1c2ccccc2Oc2c1cccc2)Nc1occ(n1)C(F)(F)F" . "GSGDLBUOSWGZER-UHFFFAOYSA-N" . "InChI=1S/C18H11F3N2O3/c19-18(20,21)14-9-25-17(22-14)23-16(24)15-10-5-1-3-7-12(10)26-13-8-4-2-6-11(13)15/h1-9,15H,(H,22,23,24)" . "CC1C(COP(=O)(CP(=O)(O)O)O)OC(C1C)n1ccc(=O)[nH]c1=S" . "C[C@@H]1[C@@H](COP(=O)(CP(=O)(O)O)O)O[C@H]([C@@H]1C)n1ccc(=O)[nH]c1=S" . "HGGLEWIKYOGGHB-YSSBGUOXSA-N" . "InChI=1S/C12H20N2O8P2S/c1-7-8(2)11(14-4-3-10(15)13-12(14)25)22-9(7)5-21-24(19,20)6-23(16,17)18/h3-4,7-9,11H,5-6H2,1-2H3,(H,19,20)(H,13,15,25)(H2,16,17,18)/t7-,8+,9+,11+/m0/s1" . "OC1C(COP(=O)(OP(=O)(O)O)O)OC(C1O)n1ccc(=O)[nH]c1=S" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=S" . "BMJOHSBBMARQHC-XVFCMESISA-N" . "InChI=1S/C9H14N2O11P2S/c12-5-1-2-11(9(25)10-5)8-7(14)6(13)4(21-8)3-20-24(18,19)22-23(15,16)17/h1-2,4,6-8,13-14H,3H2,(H,18,19)(H,10,12,25)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1" . "OC1C(O)C(OC1n1ccc(=O)nc1N)COP(=O)(O)O" . "O[C@@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)nc1N)COP(=O)(O)O" . "ONSQLDCEJIIUJS-XVFCMESISA-N" . "InChI=1S/C9H14N3O8P/c10-9-11-5(13)1-2-12(9)8-7(15)6(14)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,14-15H,3H2,(H2,10,11,13)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1" . "FC(C(c1ccc(cc1)n1cccn1)(Cc1ncc([nH]1)CC1(CC1)C(F)(F)F)O)(F)F" . "FC([C@@](c1ccc(cc1)n1cccn1)(Cc1ncc([nH]1)CC1(CC1)C(F)(F)F)O)(F)F" . "UJINBEQCDMOAHM-SFHVURJKSA-N" . "InChI=1S/C20H18F6N4O/c21-19(22,23)17(6-7-17)10-14-12-27-16(29-14)11-18(31,20(24,25)26)13-2-4-15(5-3-13)30-9-1-8-28-30/h1-5,8-9,12,31H,6-7,10-11H2,(H,27,29)/t18-/m0/s1" . "OC1C(O)C(OC1n1ccc(=NOCCc2ccccc2)[nH]c1=O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O" . "O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cc/c(=N/OCCc2ccccc2)/[nH]c1=O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O" . "WREOTYWODABZMH-DTZQCDIJSA-N" . "InChI=1S/C17H24N3O15P3/c21-14-12(10-32-37(27,28)35-38(29,30)34-36(24,25)26)33-16(15(14)22)20-8-6-13(18-17(20)23)19-31-9-7-11-4-2-1-3-5-11/h1-6,8,12,14-16,21-22H,7,9-10H2,(H,27,28)(H,29,30)(H,18,19,23)(H2,24,25,26)/t12-,14-,15-,16-/m1/s1" . "CCCCCC(C=CC=CCC=CC=CC(=O)CCCC(=O)O)O" . "CCCCC[C@@H](/C=C/C=C/C/C=C/C=C/C(=O)CCCC(=O)O)O" . "RIUDRKHGFDAKPO-WWWYWCMOSA-N" . "InChI=1S/C20H30O4/c1-2-3-9-13-18(21)14-10-7-5-4-6-8-11-15-19(22)16-12-17-20(23)24/h5-8,10-11,14-15,18,21H,2-4,9,12-13,16-17H2,1H3,(H,23,24)/b7-5-,8-6-,14-10+,15-11+/t18-/m0/s1" . "OCC1OC(OP(=O)(OP(=O)(OP(=O)(OP(=O)(OCC2OC(C(C2O)O)C2C=CC(=O)NC2=O)O)O)O)O)C(C(C1O)F)O" . "OC[C@H]1O[C@H](OP(=O)(OP(=O)(OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)C2C=CC(=O)NC2=O)O)O)O)O)[C@@H]([C@H]([C@@H]1O)F)O" . "SMNRFWMNPDABKZ-WVALLCKVSA-N" . "InChI=1S/C16H26FNO22P4/c17-9-10(21)6(3-19)36-16(12(9)23)37-42(28,29)39-44(32,33)40-43(30,31)38-41(26,27)34-4-7-11(22)13(24)14(35-7)5-1-2-8(20)18-15(5)25/h1-2,5-7,9-14,16,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,18,20,25)/t5?,6-,7-,9+,10-,11-,12-,13-,14+,16-/m1/s1" . "OC(=O)C1CCCC(C1)NC(=O)c1cc(ccc1OCCCc1ccc(cc1)OCCCCOC1CCCCC1)C(=O)O" . "OC(=O)C1CCCC(C1)NC(=O)c1cc(ccc1OCCCc1ccc(cc1)OCCCCOC1CCCCC1)C(=O)O" . "HRJWSEPIRZRGCL-UHFFFAOYSA-N" . "InChI=1S/C34H45NO8/c36-32(35-27-10-6-9-25(22-27)33(37)38)30-23-26(34(39)40)15-18-31(30)43-21-7-8-24-13-16-29(17-14-24)42-20-5-4-19-41-28-11-2-1-3-12-28/h13-18,23,25,27-28H,1-12,19-22H2,(H,35,36)(H,37,38)(H,39,40)" . "OC(=O)C1CCCC(C1)NC(=O)c1cc(ccc1OCCCc1ccc(cc1)OCCCCOc1ccccc1)C(=O)O" . "OC(=O)C1CCCC(C1)NC(=O)c1cc(ccc1OCCCc1ccc(cc1)OCCCCOc1ccccc1)C(=O)O" . "GKPAULTWHHPIHX-UHFFFAOYSA-N" . "InChI=1S/C34H39NO8/c36-32(35-27-10-6-9-25(22-27)33(37)38)30-23-26(34(39)40)15-18-31(30)43-21-7-8-24-13-16-29(17-14-24)42-20-5-4-19-41-28-11-2-1-3-12-28/h1-3,11-18,23,25,27H,4-10,19-22H2,(H,35,36)(H,37,38)(H,39,40)" . "CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SC[CH]C(=O)NCC(=O)O" . "CCCCC/C=C/C/C=C/C=C/C=C/[C@H]([C@H](CCCC(=O)O)O)SC[CH]C(=O)NCC(=O)O" . "REQYIPCNJGLJSE-FSKXFZJASA-N" . "InChI=1S/C25H38NO6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(27)15-14-17-24(29)30)33-19-18-23(28)26-20-25(31)32/h6-7,9-13,16,18,21-22,27H,2-5,8,14-15,17,19-20H2,1H3,(H,26,28)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t21-,22+/m0/s1" . "CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)NC" . "CCCCC/C=C/C/C=C/C=C/C=C/[C@H]([C@H](CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)NC" . "FPLBRCJNODNRQZ-LZHUJPGBSA-N" . "InChI=1S/C31H49N3O9S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-26(25(35)16-15-18-28(37)38)44-22-24(30(41)33-21-29(39)40)34-27(36)20-19-23(32-2)31(42)43/h7-8,10-14,17,23-26,32,35H,3-6,9,15-16,18-22H2,1-2H3,(H,33,41)(H,34,36)(H,37,38)(H,39,40)(H,42,43)/b8-7-,11-10-,13-12+,17-14+/t23?,24?,25-,26+/m0/s1" . "OC(=O)CCSC(c1cccc(c1)C=Cc1ccc2c(n1)cc(cc2)Cl)SCCC(=O)N(C)C" . "OC(=O)CCS[C@H](c1cccc(c1)/C=C/c1ccc2c(n1)cc(cc2)Cl)SCCC(=O)N(C)C" . "AXUZQJFHDNNPFG-LHAVAQOQSA-N" . "InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+/t26-/m1/s1" . "CC(C(=O)NC(C(=O)NCCc1ccccc1)Cc1c[nH]c2c1cccc2)NC(=O)c1ccccc1" . "CC(C(=O)NC(C(=O)NCCc1ccccc1)Cc1c[nH]c2c1cccc2)NC(=O)c1ccccc1" . "OXMOOJYZUSQLNA-UHFFFAOYSA-N" . "InChI=1S/C29H30N4O3/c1-20(32-28(35)22-12-6-3-7-13-22)27(34)33-26(18-23-19-31-25-15-9-8-14-24(23)25)29(36)30-17-16-21-10-4-2-5-11-21/h2-15,19-20,26,31H,16-18H2,1H3,(H,30,36)(H,32,35)(H,33,34)" . "OC(=O)c1ccccc1c1ccc(cc1)CCc1ncc([nH]1)CC1CCCC1" . "OC(=O)c1ccccc1c1ccc(cc1)CCc1ncc([nH]1)CC1CCCC1" . "OENIXTHWZWFYIV-UHFFFAOYSA-N" . "InChI=1S/C24H26N2O2/c27-24(28)22-8-4-3-7-21(22)19-12-9-17(10-13-19)11-14-23-25-16-20(26-23)15-18-5-1-2-6-18/h3-4,7-10,12-13,16,18H,1-2,5-6,11,14-15H2,(H,25,26)(H,27,28)" . "CCC(Cc1cnc([nH]1)CCc1ccc(cc1)c1ccccn1)(C)C" . "CCC(Cc1cnc([nH]1)CCc1ccc(cc1)c1ccccn1)(C)C" . "WVAKRQOMAINQPU-UHFFFAOYSA-N" . "InChI=1S/C22H27N3/c1-4-22(2,3)15-19-16-24-21(25-19)13-10-17-8-11-18(12-9-17)20-7-5-6-14-23-20/h5-9,11-12,14,16H,4,10,13,15H2,1-3H3,(H,24,25)" . "OCCCCCC=CCC=CCC=CC=CC(=O)CCCC(=O)O" . "OCCCCC/C=C/C/C=C/C/C=C/C=C/C(=O)CCCC(=O)O" . "DTSRZRUIWKDHMR-DHYYJNSCSA-N" . "InChI=1S/C20H30O4/c21-18-13-11-9-7-5-3-1-2-4-6-8-10-12-15-19(22)16-14-17-20(23)24/h2-5,8,10,12,15,21H,1,6-7,9,11,13-14,16-18H2,(H,23,24)/b4-2-,5-3-,10-8-,15-12+" . "OC1C(COc2c1ccc(c2)c1cc(ccc1C(=O)O)C(F)(F)F)Cc1ccccc1" . "O[C@@H]1[C@H](COc2c1ccc(c2)c1cc(ccc1C(=O)O)C(F)(F)F)Cc1ccccc1" . "NZQDWKCNBOELAI-KSFYIVLOSA-N" . "InChI=1S/C24H19F3O4/c25-24(26,27)17-7-9-18(23(29)30)20(12-17)15-6-8-19-21(11-15)31-13-16(22(19)28)10-14-4-2-1-3-5-14/h1-9,11-12,16,22,28H,10,13H2,(H,29,30)/t16-,22+/m0/s1" . "[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CCN(c1ccc2c(c1)oc1c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)NCCCCCCCCCCCCNC(=O)NCCCCC(C(=O)NC(C(=O)NC2CC[NH+](CC2)C)Cc2cn(c[n+]2C)Cc2ccccc2)NC(=O)CC2=CSC(=N)[NH+]2C)ccc(=[N+](CC)CC)c1)CC" . "[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CCN(c1ccc2c(c1)oc1c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)NCCCCCCCCCCCCNC(=O)NCCCCC(C(=O)NC(C(=O)NC2CC[NH+](CC2)C)Cc2cn(c[n+]2C)Cc2ccccc2)NC(=O)CC2=CSC(=N)[NH+]2C)ccc(=[N+](CC)CC)c1)CC" . "SEZVZMIKECAWEG-UHFFFAOYSA-O" . "InChI=1S/C72H101N13O10S3.3C2HF3O2/c1-8-84(9-2)54-30-33-59-64(44-54)95-65-45-55(85(10-3)11-4)31-34-60(65)68(59)61-35-32-58(47-66(61)98(92,93)94)97(90,91)76-40-25-19-17-15-13-12-14-16-18-24-38-74-72(89)75-39-26-23-29-62(78-67(86)46-57-50-96-71(73)82(57)7)69(87)79-63(70(88)77-53-36-41-80(5)42-37-53)43-56-49-83(51-81(56)6)48-52-27-21-20-22-28-52;3*3-2(4,5)1(6)7/h20-22,27-28,30-35,44-45,47,49-51,53,62-63,73,76H,8-19,23-26,29,36-43,46,48H2,1-7H3,(H4-2,74,75,77,78,79,86,87,88,89,92,93,94);3*(H,6,7)/p+1" . "COC(=O)C1=CC(O)C(C(C1Oc1c(Cl)c(C)c(c2c1C(=O)C1(O2)C(=CC(=O)C=C1C(=O)OC)OC)Cl)O)O" . "COC(=O)C1=C[C@@H](O)[C@H]([C@@H]([C@@H]1Oc1c(Cl)c(C)c(c2c1C(=O)[C@@]1(O2)C(=CC(=O)C=C1C(=O)OC)OC)Cl)O)O" . "LNGFWDFUPRZMJI-VEHFIHCQSA-N" . "InChI=1S/C25H22Cl2O12/c1-8-15(26)20(38-19-10(23(33)36-3)7-12(29)17(30)18(19)31)14-21(16(8)27)39-25(22(14)32)11(24(34)37-4)5-9(28)6-13(25)35-2/h5-7,12,17-19,29-31H,1-4H3/t12-,17-,18+,19-,25+/m1/s1" . "CC(CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1NCc2c(C1)c1ccccc1[nH]2)CCC(=O)N)C)CNC(C(=O)N)CC(C)C)C" . "CC(C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H]1NCc2c(C1)c1ccccc1[nH]2)CCC(=O)N)C)CN[C@H](C(=O)N)CC(C)C)C" . "IUYCRRDHLJIJBB-QAGBKCHLSA-N" . "InChI=1S/C56H79N15O9/c1-29(2)18-35(25-61-42(50(58)74)19-30(3)4)66-55(79)45(21-34-24-59-28-64-34)68-48(73)27-63-56(80)49(31(5)6)71-51(75)32(7)65-54(78)44(20-33-23-60-39-14-10-8-12-36(33)39)70-52(76)41(16-17-47(57)72)69-53(77)43-22-38-37-13-9-11-15-40(37)67-46(38)26-62-43/h8-15,23-24,28-32,35,41-45,49,60-62,67H,16-22,25-27H2,1-7H3,(H2,57,72)(H2,58,74)(H,59,64)(H,63,80)(H,65,78)(H,66,79)(H,68,73)(H,69,77)(H,70,76)(H,71,75)/t32-,35-,41-,42-,43+,44-,45-,49-/m0/s1" . "CC(CC(C(=O)NCC1=CCCC(=C1)C[N+](C)(C)C)NC(=O)CC(C(NC(C(N(C(=O)C(CC1=CC=CCC1)NC(=O)OC(C)(C)C)C)Cc1c[nH]c[nH+]1)O)CC1CCCCC1)O)C" . "CC(C[C@@H](C(=O)NCC1=CCCC(=C1)C[N+](C)(C)C)NC(=O)C[C@@H]([C@@H](NC([C@@H](N(C(=O)[C@H](CC1=CC=CCC1)NC(=O)OC(C)(C)C)C)Cc1c[nH]c[nH+]1)O)CC1CCCCC1)O)C" . "DAWSYEXBFLQUER-SLMIJXFKSA-P" . "InChI=1S/C49H80N8O7/c1-33(2)23-40(45(60)51-29-36-21-16-22-37(24-36)31-57(7,8)9)53-44(59)28-43(58)39(25-34-17-12-10-13-18-34)54-46(61)42(27-38-30-50-32-52-38)56(6)47(62)41(26-35-19-14-11-15-20-35)55-48(63)64-49(3,4)5/h11,14,19,21,24,30,32-34,39-43,46,54,58,61H,10,12-13,15-18,20,22-23,25-29,31H2,1-9H3,(H3-,50,51,52,53,55,59,60,63)/p+2/t39-,40-,41-,42-,43-,46?/m0/s1" . "CSCCC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCSC)CC(C)C)Cc1c[nH]cn1)C(C)C)C)Cc1c[nH]c2c1cccc2)Cc1c[nH]cn1)CC(=O)N)CCCN=C(N)N)Cc1ccc(cc1)O)N " . "CSCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)O)C(C)C" . "MJHJYGACUDLDMG-QEJDUTAOSA-N" . "InChI=1S/C75H109N23O17S2/c1-39(2)26-52(67(107)92-51(74(114)115)21-25-117-7)93-68(108)54(29-44-33-80-37-86-44)89-61(102)36-85-72(112)62(40(3)4)97-63(103)41(5)88-66(106)53(28-43-32-83-49-13-9-8-12-47(43)49)94-69(109)55(30-45-34-81-38-87-45)95-70(110)56(31-59(77)100)90-60(101)35-84-65(105)50(14-10-22-82-75(78)79)91-71(111)58-15-11-23-98(58)73(113)57(27-42-16-18-46(99)19-17-42)96-64(104)48(76)20-24-116-6/h8-9,12-13,16-19,32-34,37-41,48,50-58,62,83,99H,10-11,14-15,20-31,35-36,76H2,1-7H3,(H2,77,100)(H,80,86)(H,81,87)(H,84,105)(H,85,112)(H,88,106)(H,89,102)(H,90,101)(H,91,111)(H,92,107)(H,93,108)(H,94,109)(H,95,110)(H,96,104)(H,97,103)(H,114,115)(H4,78,79,82)/t41-,48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,62-/m0/s1" . "CCCCCCc1cc2c(n1C(=O)CCCC(=O)O)cc(cc2)Cl" . "CCCCCCc1cc2c(n1C(=O)CCCC(=O)O)cc(cc2)Cl" . "KNTPSPKZGNVRML-UHFFFAOYSA-N" . "InChI=1S/C19H24ClNO3/c1-2-3-4-5-7-16-12-14-10-11-15(20)13-17(14)21(16)18(22)8-6-9-19(23)24/h10-13H,2-9H2,1H3,(H,23,24)" . "CSc1nc2c(s1)c1sc(nc1cc2)NC(=O)C(c1ccccc1)c1ccccc1" . "CSc1nc2c(s1)c1sc(nc1cc2)NC(=O)C(c1ccccc1)c1ccccc1" . "UFOBDFMYJABXGK-UHFFFAOYSA-N" . "InChI=1S/C23H17N3OS3/c1-28-23-25-17-13-12-16-19(20(17)30-23)29-22(24-16)26-21(27)18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,18H,1H3,(H,24,26,27)" . "CCCCCC=CCC(C=CC=CC=CC(=O)CCCC(=O)O)O" . "CCCCC/C=C/C[C@@H](/C=C/C=C/C=C/C(=O)CCCC(=O)O)O" . "MLZJFLKEKVDNAZ-XPKTZJOPSA-N" . "InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18,21H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7-,9-6-,14-10+,15-11+/t18-/m0/s1" . "CSCCC(C(=O)O)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(C(C)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(CCC(=O)N)N)CC(C)C)C)CO)CC(C)C " . "CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(=O)O" . "SJZDDUZIBZZQHY-DLDZJLLMSA-N" . "InChI=1S/C46H73N11O12S/c1-23(2)17-32(54-40(62)29(47)13-14-36(48)59)43(65)56-34(19-27-20-49-30-12-10-9-11-28(27)30)41(63)51-26(7)39(61)57-38(25(5)6)45(67)50-21-37(60)52-35(22-58)44(66)55-33(18-24(3)4)42(64)53-31(46(68)69)15-16-70-8/h9-12,20,23-26,29,31-35,38,49,58H,13-19,21-22,47H2,1-8H3,(H2,48,59)(H,50,67)(H,51,63)(H,52,60)(H,53,64)(H,54,62)(H,55,66)(H,56,65)(H,57,61)(H,68,69)/t26-,29-,31-,32-,33-,34-,35-,38-/m0/s1" . "CSCCC(C(=O)O)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(C(C)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(CCC(=O)N)N)CC(C)C)C)CO)Cc1ccccc1 " . "CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(=O)O" . "SNQDMSYYFPNXBD-QLGZLCMKSA-N" . "InChI=1S/C49H71N11O12S/c1-26(2)20-35(57-43(65)32(50)16-17-39(51)62)45(67)59-37(22-30-23-52-33-15-11-10-14-31(30)33)44(66)54-28(5)42(64)60-41(27(3)4)48(70)53-24-40(63)55-38(25-61)47(69)58-36(21-29-12-8-7-9-13-29)46(68)56-34(49(71)72)18-19-73-6/h7-15,23,26-28,32,34-38,41,52,61H,16-22,24-25,50H2,1-6H3,(H2,51,62)(H,53,70)(H,54,66)(H,55,63)(H,56,68)(H,57,65)(H,58,69)(H,59,67)(H,60,64)(H,71,72)/t28-,32-,34-,35-,36-,37-,38-,41-/m0/s1" . "CSCCC(C(=O)O)NC(=O)C(NC(=O)C(Cc1nc[nH]c1)NC(=O)CNC(=O)C(C(O)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(CCC(=O)N)N)CC(C)C)C)Cc1ccccc1 " . "CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(=O)O" . "SVUYIHOQEOWECO-SRURJFDISA-N" . "InChI=1S/C51H71N13O12S/c1-27(2)19-37(61-45(69)34(52)15-16-41(53)66)47(71)63-39(21-31-23-55-35-14-10-9-13-33(31)35)46(70)58-28(3)44(68)64-43(29(4)65)50(74)56-25-42(67)59-40(22-32-24-54-26-57-32)49(73)62-38(20-30-11-7-6-8-12-30)48(72)60-36(51(75)76)17-18-77-5/h6-14,23-24,26-29,34,36-40,43,55,65H,15-22,25,52H2,1-5H3,(H2,53,66)(H,54,57)(H,56,74)(H,58,70)(H,59,67)(H,60,72)(H,61,69)(H,62,73)(H,63,71)(H,64,68)(H,75,76)/t28-,29+,34-,36-,37-,38-,39-,40-,43-/m0/s1" . "CCCCCCCCCC=CC=CC(=O)CCCC(=O)O" . "CCCCCCCCC/C=C/C=C/C(=O)CCCC(=O)O" . "YVWMHFYOIJMUMN-HSINTONASA-N" . "InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(19)15-13-16-18(20)21/h10-12,14H,2-9,13,15-16H2,1H3,(H,20,21)/b11-10-,14-12+" . "OC(=O)CCCC=C1CCCCC1C=CC=CC(C1(CCC1)CC#Cc1ccccc1)O" . "OC(=O)CCC/C=C/1/CCCCC1/C=C/C=C/C(C1(CCC1)CC#Cc1ccccc1)O" . "HILRZHRCCODTSA-AHQVELJISA-N" . "InChI=1S/C29H36O3/c30-27(29(22-11-23-29)21-10-14-24-12-2-1-3-13-24)19-8-6-17-25-15-4-5-16-26(25)18-7-9-20-28(31)32/h1-3,6,8,12-13,17-19,25,27,30H,4-5,7,9,11,15-16,20-23H2,(H,31,32)/b17-6+,19-8+,26-18+" . "CCCCC(=O)N(c1ccccc1)Cc1ccc(cc1)c1ccccc1C(=O)O" . "CCCCC(=O)N(c1ccccc1)Cc1ccc(cc1)c1ccccc1C(=O)O" . "IUJTVDNJFPZYBL-UHFFFAOYSA-N" . "InChI=1S/C25H25NO3/c1-2-3-13-24(27)26(21-9-5-4-6-10-21)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)25(28)29/h4-12,14-17H,2-3,13,18H2,1H3,(H,28,29)" . "CCCCCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O" . "CCCCC/C=C/C[C@@H](/C=C/C=C/C=C/[C@H](CCCC(=O)O)O)O" . "VNYSSYRCGWBHLG-CBBLYLIKSA-N" . "InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19+/m0/s1" . "CCCCCC(C=CC=CCC=CCCCC(=O)O)O" . "CCCCC[C@@H](/C=C/C=C/C/C=C/CCCC(=O)O)O" . "KUKJHGXXZWHSBG-WBGSEQOASA-N" . "InChI=1S/C17H28O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14,16,18H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/b7-5-,8-6+,14-11+/t16-/m0/s1" . "OC(=O)CCc1c(CCCCCCOc2cc(cc(c2)c2ccc3c(c2)OCO3)c2ccsc2)cccc1OCCCC(=O)O" . "OC(=O)CCc1c(CCCCCCOc2cc(cc(c2)c2ccc3c(c2)OCO3)c2ccsc2)cccc1OCCCC(=O)O" . "SRPFDFNVILUDAI-UHFFFAOYSA-N" . "InChI=1S/C36H38O8S/c37-35(38)10-6-17-42-32-9-5-8-25(31(32)12-14-36(39)40)7-3-1-2-4-16-41-30-20-28(19-29(21-30)27-15-18-45-23-27)26-11-13-33-34(22-26)44-24-43-33/h5,8-9,11,13,15,18-23H,1-4,6-7,10,12,14,16-17,24H2,(H,37,38)(H,39,40)" . "COc1ccc(cc1)C=CCCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O" . "COc1ccc(cc1)/C=C/CCCCOc1cccc(c1CCC(=O)O)OCCCCC(=O)O" . "JOPSSWGWLCLPPF-RUDMXATFSA-N" . "InChI=1S/C27H34O7/c1-32-22-15-13-21(14-16-22)9-4-2-3-6-19-33-24-10-8-11-25(23(24)17-18-27(30)31)34-20-7-5-12-26(28)29/h4,8-11,13-16H,2-3,5-7,12,17-20H2,1H3,(H,28,29)(H,30,31)/b9-4+" . "CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O" . "CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O" . "ZVVCSBSDFGYRCB-UHFFFAOYSA-N" . "InChI=1S/C28H36O7/c1-5-8-21-23(13-10-19-11-14-25(28(30)31)35-26(19)21)33-16-7-17-34-24-15-12-20(18(3)29)27(32-4)22(24)9-6-2/h10,12-13,15,25H,5-9,11,14,16-17H2,1-4H3,(H,30,31)" . "Oc1ccc(cc1)C(c1ccc(cc1)OCc1cccc(c1)COc1ccc(cc1)C(=N)N)(C)C" . "Oc1ccc(cc1)C(c1ccc(cc1)OCc1cccc(c1)COc1ccc(cc1)C(=N)N)(C)C" . "MBLJFKQACMILLC-UHFFFAOYSA-N" . "InChI=1S/C30H30N2O3/c1-30(2,24-8-12-26(33)13-9-24)25-10-16-28(17-11-25)35-20-22-5-3-4-21(18-22)19-34-27-14-6-23(7-15-27)29(31)32/h3-18,33H,19-20H2,1-2H3,(H3,31,32)" . "OC1C(COP(=O)(OP(=O)(C(P(=O)(OP(=O)(OCC2OC(C(C2O)O)n2cnc3c2ncnc3N)S)O)Cl)O)S)OC(C1O)n1cnc2c1ncnc2N" . "O[C@H]1C(COP(=O)(OP(=O)(C(P(=O)(OP(=O)(OC[C@H]2O[C@H](C([C@H]2O)O)n2cnc3c2ncnc3N)S)O)Cl)O)S)O[C@H]([C@H]1O)n1cnc2c1ncnc2N" . "SQXLFBVOQBYLCG-BUWSHSPFSA-N" . "InChI=1S/C21H29ClN10O16P4S2/c22-21(49(37,38)47-51(41,53)43-1-7-11(33)13(35)19(45-7)31-5-29-9-15(23)25-3-27-17(9)31)50(39,40)48-52(42,54)44-2-8-12(34)14(36)20(46-8)32-6-30-10-16(24)26-4-28-18(10)32/h3-8,11-14,19-21,33-36H,1-2H2,(H,37,38)(H,39,40)(H,41,53)(H,42,54)(H2,23,25,27)(H2,24,26,28)/t7-,8?,11+,12+,13?,14+,19-,20-,21?,51?,52?/m1/s1" . "CCCSc1nc(N)c2c(n1)n(cn2)C1OC(C(C1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O" . "O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(SCC(C([3H])([3H])[3H])([3H])[3H])nc2N)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O" . "ZLIAJZQKKBOFJR-WNJXVAICSA-N" . "InChI=1S/C14H22Cl2N5O12P3S/c1-2-3-37-13-19-10(17)7-11(20-13)21(5-18-7)12-9(23)8(22)6(32-12)4-31-36(29,30)33-35(27,28)14(15,16)34(24,25)26/h5-6,8-9,12,22-23H,2-4H2,1H3,(H,27,28)(H,29,30)(H2,17,19,20)(H2,24,25,26)/t6-,8-,9-,12-/m1/s1/i1T3,2T2" . "OCC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCC(=O)N)CC(C)C)CO)CCC(=O)O)CC(C)C)C)CC(C)C)CCC(=O)N)CC(C)C)NC(=O)CNC(=O)C(NC(=O)CNC(=O)C1CCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)CNC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CCC(=O)O)N)C)CCC(=O)O)CC(=O)O)CC(C)C)CCC(=O)N)CCC(=O)N)CCC(=O)O)CC(C)C)C " . "CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O" . "VOUAQYXWVJDEQY-QENPJCQMSA-N" . "InChI=1S/C129H211N35O48/c1-58(2)42-77(155-113(195)74(31-39-102(184)185)151-127(209)105(65(15)16)162-114(196)71(25-32-88(131)167)145-95(174)54-141-126(208)104(64(13)14)161-115(197)72(26-33-89(132)168)150-118(200)80(45-61(7)8)156-121(203)83(48-103(186)187)159-112(194)73(30-38-101(182)183)148-107(189)67(18)143-109(191)69(130)24-36-99(178)179)111(193)138-50-93(172)135-49-92(171)136-55-98(177)163-40-20-22-86(163)124(206)140-51-94(173)142-66(17)106(188)137-52-96(175)146-84(56-165)122(204)157-81(46-62(9)10)119(201)152-75(27-34-90(133)169)128(210)164-41-21-23-87(164)125(207)160-78(43-59(3)4)116(198)144-68(19)108(190)154-79(44-60(5)6)117(199)149-70(29-37-100(180)181)110(192)139-53-97(176)147-85(57-166)123(205)158-82(47-63(11)12)120(202)153-76(129(211)212)28-35-91(134)170/h58-87,104-105,165-166H,20-57,130H2,1-19H3,(H2,131,167)(H2,132,168)(H2,133,169)(H2,134,170)(H,135,172)(H,136,171)(H,137,188)(H,138,193)(H,139,192)(H,140,206)(H,141,208)(H,142,173)(H,143,191)(H,144,198)(H,145,174)(H,146,175)(H,147,176)(H,148,189)(H,149,199)(H,150,200)(H,151,209)(H,152,201)(H,153,202)(H,154,190)(H,155,195)(H,156,203)(H,157,204)(H,158,205)(H,159,194)(H,160,207)(H,161,197)(H,162,196)(H,178,179)(H,180,181)(H,182,183)(H,184,185)(H,186,187)(H,211,212)/t66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,104-,105-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)C)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(Cc1c[nH]c2c1cccc2)N)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)C)CC(=O)O)CC(=O)N)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)Cc1nc[nH]c1)CC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O" . "GGBMOXFFZWACOW-QTRPWDSUSA-N" . "InChI=1S/C144H209N41O40/c1-15-74(10)117(183-120(201)76(12)163-127(208)100(51-83-59-151-67-159-83)178-140(221)109-31-24-42-185(109)114(195)64-158-122(203)93(43-70(2)3)169-128(209)95(45-72(6)7)170-130(211)98(49-81-34-38-87(190)39-35-81)166-112(193)62-156-119(200)75(11)162-138(219)107(65-186)182-135(216)104(55-111(148)192)175-129(210)96(46-73(8)9)179-142(223)118(78(14)188)184-121(202)89(146)50-82-58-155-90-28-20-19-27-88(82)90)141(222)180-106(57-116(198)199)137(218)176-103(54-110(147)191)134(215)174-101(52-84-60-152-68-160-84)132(213)168-92(30-23-41-154-144(149)150)125(206)181-108(66-187)139(220)172-99(47-79-25-17-16-18-26-79)131(212)173-102(53-85-61-153-69-161-85)133(214)177-105(56-115(196)197)136(217)167-91(29-21-22-40-145)124(205)171-97(48-80-32-36-86(189)37-33-80)123(204)157-63-113(194)165-94(44-71(4)5)126(207)164-77(13)143(224)225/h16-20,25-28,32-39,58-61,67-78,89,91-109,117-118,155,186-190H,15,21-24,29-31,40-57,62-66,145-146H2,1-14H3,(H2,147,191)(H2,148,192)(H,151,159)(H,152,160)(H,153,161)(H,156,200)(H,157,204)(H,158,203)(H,162,219)(H,163,208)(H,164,207)(H,165,194)(H,166,193)(H,167,217)(H,168,213)(H,169,209)(H,170,211)(H,171,205)(H,172,220)(H,173,212)(H,174,215)(H,175,210)(H,176,218)(H,177,214)(H,178,221)(H,179,223)(H,180,222)(H,181,206)(H,182,216)(H,183,201)(H,184,202)(H,196,197)(H,198,199)(H,224,225)(H4,149,150,154)/t74-,75-,76-,77-,78+,89-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,117-,118-/m0/s1" . "O=C(C1Cc2c(C1)c1c(s2)n2c(C)nnc2CN=C1c1ccccc1Cl)N1CCOCC1" . "O=C(C1Cc2c(C1)c1c(s2)n2c(C)nnc2CN=C1c1ccccc1Cl)N1CCOCC1" . "FWYVRZOREBYLCY-UHFFFAOYSA-N" . "InChI=1S/C23H22ClN5O2S/c1-13-26-27-19-12-25-21(15-4-2-3-5-17(15)24)20-16-10-14(11-18(16)32-23(20)29(13)19)22(30)28-6-8-31-9-7-28/h2-5,14H,6-12H2,1H3" . "NC(c1ccc(c(c1)O)C(=O)O)C(=O)O" . "N[C@@H](c1ccc(c(c1)O)C(=O)O)C(=O)O" . "GXZSAQLJWLCLOX-ZETCQYMHSA-N" . "InChI=1S/C9H9NO5/c10-7(9(14)15)4-1-2-5(8(12)13)6(11)3-4/h1-3,7,11H,10H2,(H,12,13)(H,14,15)/t7-/m0/s1" . "OC(=O)CCC=CCC1COC(OC1c1ccccc1O)c1ccccc1Cl" . "OC(=O)CC/C=C/C[C@@H]1CO[C@@H](O[C@@H]1c1ccccc1O)c1ccccc1Cl" . "WHUIENZXNGAHQI-BNGKFCBFSA-N" . "InChI=1S/C22H23ClO5/c23-18-11-6-4-9-16(18)22-27-14-15(8-2-1-3-13-20(25)26)21(28-22)17-10-5-7-12-19(17)24/h1-2,4-7,9-12,15,21-22,24H,3,8,13-14H2,(H,25,26)/b2-1+/t15-,21+,22+/m1/s1" . "CCCCCC(CCC1C2OC(=O)OC(C1CC=CCCCC(=O)O)C2)O" . "CCCCC[C@@H](CC[C@H]1[C@@H]2OC(=O)O[C@H]([C@@H]1C/C=C/CCCC(=O)O)C2)O" . "CVQLYMOSZQTFDP-NFUXFLSFSA-N" . "InChI=1S/C21H34O6/c1-2-3-6-9-15(22)12-13-17-16(10-7-4-5-8-11-20(23)24)18-14-19(17)27-21(25)26-18/h4,7,15-19,22H,2-3,5-6,8-14H2,1H3,(H,23,24)/b7-4-/t15-,16+,17+,18-,19+/m0/s1" . "Clc1ccc(c(c1)c1ccsc1c1cncc(c1)C(C(F)(F)F)(O)O)OCc1ccccc1" . "Clc1ccc(c(c1)c1ccsc1c1cncc(c1)C(C(F)(F)F)(O)O)OCc1ccccc1" . "JCCQFQOPADDTRS-UHFFFAOYSA-N" . "InChI=1S/C24H17ClF3NO3S/c25-18-6-7-21(32-14-15-4-2-1-3-5-15)20(11-18)19-8-9-33-22(19)16-10-17(13-29-12-16)23(30,31)24(26,27)28/h1-13,30-31H,14H2" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)C)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CN)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)C)CC(=O)O)CC(=O)N)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)Cc1nc[nH]c1)CC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O" . "WVFODTWUOPGPAP-CIJSCKBQSA-N" . "InChI=1S/C146H212N42O41/c1-15-75(10)119(186-122(205)77(12)165-128(211)101(51-84-60-153-68-161-84)181-142(225)110-31-24-42-188(110)116(199)65-160-123(206)93(43-71(2)3)172-129(212)95(45-73(6)7)173-131(214)98(49-82-34-38-88(193)39-35-82)169-114(197)63-158-121(204)76(11)164-140(223)108(66-189)185-136(219)105(55-112(150)195)178-130(213)96(46-74(8)9)182-144(227)120(79(14)191)187-139(222)100(167-113(196)58-148)50-83-59-157-90-28-20-19-27-89(83)90)143(226)183-107(57-118(202)203)138(221)179-104(54-111(149)194)135(218)177-102(52-85-61-154-69-162-85)133(216)171-92(30-23-41-156-146(151)152)126(209)184-109(67-190)141(224)175-99(47-80-25-17-16-18-26-80)132(215)176-103(53-86-62-155-70-163-86)134(217)180-106(56-117(200)201)137(220)170-91(29-21-22-40-147)125(208)174-97(48-81-32-36-87(192)37-33-81)124(207)159-64-115(198)168-94(44-72(4)5)127(210)166-78(13)145(228)229/h16-20,25-28,32-39,59-62,68-79,91-110,119-120,157,189-193H,15,21-24,29-31,40-58,63-67,147-148H2,1-14H3,(H2,149,194)(H2,150,195)(H,153,161)(H,154,162)(H,155,163)(H,158,204)(H,159,207)(H,160,206)(H,164,223)(H,165,211)(H,166,210)(H,167,196)(H,168,198)(H,169,197)(H,170,220)(H,171,216)(H,172,212)(H,173,214)(H,174,208)(H,175,224)(H,176,215)(H,177,218)(H,178,213)(H,179,221)(H,180,217)(H,181,225)(H,182,227)(H,183,226)(H,184,209)(H,185,219)(H,186,205)(H,187,222)(H,200,201)(H,202,203)(H,228,229)(H4,151,152,156)/t75-,76-,77-,78-,79+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,119-,120-/m0/s1" . "Brc1ccc2c(c1)C(=Cc1cc3c([nH]1)CCCC3)C(=O)N2" . "Brc1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)/C(=O)N2" . "RFHPWPWVGFSLOP-ZROIWOOFSA-N" . "InChI=1S/C17H15BrN2O/c18-11-5-6-16-13(8-11)14(17(21)20-16)9-12-7-10-3-1-2-4-15(10)19-12/h5-9,19H,1-4H2,(H,20,21)/b14-9-" . "COc1ccc(cn1)N1C(=O)C(=Nc2ccc(c(c2)Cl)Cl)c2c1cccc2" . "COc1ccc(cn1)N1C(=O)/C(=N/c2ccc(c(c2)Cl)Cl)/c2c1cccc2" . "YZFBJQVMOLTGFZ-LYBHJNIJSA-N" . "InChI=1S/C20H13Cl2N3O2/c1-27-18-9-7-13(11-23-18)25-17-5-3-2-4-14(17)19(20(25)26)24-12-6-8-15(21)16(22)10-12/h2-11H,1H3/b24-19+" . "O=C1C(=Nc2cccc(c2)C(F)(F)F)c2c(N1c1ccccc1)cccc2" . "O=C1C(=Nc2cccc(c2)C(F)(F)F)c2c(N1c1ccccc1)cccc2" . "TXCGMRVPXUBHAL-UHFFFAOYSA-N" . "InChI=1S/C21H13F3N2O/c22-21(23,24)14-7-6-8-15(13-14)25-19-17-11-4-5-12-18(17)26(20(19)27)16-9-2-1-3-10-16/h1-13H" . "O=C1C(=Nc2cccc(c2)C(F)(F)F)c2c(N1c1cccc(c1)OCCN1CCCC1)cccc2" . "O=C1C(=Nc2cccc(c2)C(F)(F)F)c2c(N1c1cccc(c1)OCCN1CCCC1)cccc2" . "HXCJZIBJTFITNI-UHFFFAOYSA-N" . "InChI=1S/C27H24F3N3O2/c28-27(29,30)19-7-5-8-20(17-19)31-25-23-11-1-2-12-24(23)33(26(25)34)21-9-6-10-22(18-21)35-16-15-32-13-3-4-14-32/h1-2,5-12,17-18H,3-4,13-16H2" . "Cc1ccc(cc1)C1=CS(=O)(=O)CCCS1(=O)=O" . "Cc1ccc(cc1)C1=CS(=O)(=O)CCCS1(=O)=O" . "KZYCUCAZAITGMW-UHFFFAOYSA-N" . "InChI=1S/C12H14O4S2/c1-10-3-5-11(6-4-10)12-9-17(13,14)7-2-8-18(12,15)16/h3-6,9H,2,7-8H2,1H3" . "OCC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CO)CCCN=C(N)N)CC(C)C)CC(C)C)CCC(=O)N)C(O)C)CCC(=O)N)CCCN=C(N)N)C)CCCN=C(N)N)C(O)C)CCCN=C(N)N)CCC(=O)N)Cc1ccccc1)C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(N)C)C)Cc1nc[nH]c1)CCCN=C(N)N)CO " . "CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)O" . "ZEJHQMBBBMTXNG-JSFGTRHUSA-N" . "InChI=1S/C119H199N45O35/c1-56(2)46-74(100(184)145-69(27-17-41-138-118(130)131)96(180)158-80(54-167)114(198)199)154-101(185)75(47-57(3)4)153-98(182)71(33-36-85(122)172)150-108(192)88(61(8)168)159-99(183)72(34-37-86(123)173)147-94(178)66(24-14-38-135-115(124)125)144-87(174)51-140-91(175)59(6)142-93(177)67(25-15-39-136-116(126)127)149-109(193)90(63(10)170)161-107(191)83-31-21-44-163(83)112(196)73(28-18-42-139-119(132)133)151-97(181)70(32-35-84(121)171)148-106(190)82-30-20-45-164(82)113(197)77(48-64-22-12-11-13-23-64)155-110(194)89(62(9)169)160-104(188)79(53-166)157-103(187)78(52-165)156-95(179)68(26-16-40-137-117(128)129)146-102(186)76(49-65-50-134-55-141-65)152-92(176)60(7)143-105(189)81-29-19-43-162(81)111(195)58(5)120/h11-13,22-23,50,55-63,66-83,88-90,165-170H,14-21,24-49,51-54,120H2,1-10H3,(H2,121,171)(H2,122,172)(H2,123,173)(H,134,141)(H,140,175)(H,142,177)(H,143,189)(H,144,174)(H,145,184)(H,146,186)(H,147,178)(H,148,190)(H,149,193)(H,150,192)(H,151,181)(H,152,176)(H,153,182)(H,154,185)(H,155,194)(H,156,179)(H,157,187)(H,158,180)(H,159,183)(H,160,188)(H,161,191)(H,198,199)(H4,124,125,135)(H4,126,127,136)(H4,128,129,137)(H4,130,131,138)(H4,132,133,139)/t58-,59-,60-,61+,62+,63+,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,88-,89-,90-/m0/s1" . "CSCCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(=O)O)CCC(=O)N)CC(=O)O)NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(N)C)Cc1nc[nH]c1)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)CC(C)C)CCC(=O)N" . "CSCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)CCC(=O)N)CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)Cc1nc[nH]c1)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)CC(C)C)CCC(=O)N" . "XKXOALDYCBSJGJ-VGPQRCSDSA-N" . "InChI=1S/C141H218N44O41S/c1-67(2)43-88(121(207)160-63-111(197)184-40-21-27-101(184)135(221)182-114(72(11)12)136(222)177-90(45-69(5)6)125(211)175-95(51-79-57-151-66-162-79)129(215)179-98(47-71(9)10)138(224)185-41-22-28-102(185)134(220)171-86(34-36-104(144)190)122(208)170-87(37-42-227-16)120(206)159-62-110(196)167-97(53-112(198)199)131(217)169-85(33-35-103(143)189)123(209)180-99(139(225)226)54-113(200)201)173-124(210)89(44-68(3)4)174-127(213)92(48-76-29-31-80(188)32-30-76)165-109(195)60-156-117(203)74(14)163-133(219)100(64-186)181-130(216)96(52-105(145)191)176-126(212)91(46-70(7)8)178-137(223)115(75(15)187)183-132(218)93(49-77-55-154-82-24-18-17-23-81(77)82)166-107(193)59-155-106(192)58-157-118(204)83(25-19-38-152-140(146)147)164-108(194)61-158-119(205)84(26-20-39-153-141(148)149)168-128(214)94(172-116(202)73(13)142)50-78-56-150-65-161-78/h17-18,23-24,29-32,55-57,65-75,83-102,114-115,154,186-188H,19-22,25-28,33-54,58-64,142H2,1-16H3,(H2,143,189)(H2,144,190)(H2,145,191)(H,150,161)(H,151,162)(H,155,192)(H,156,203)(H,157,204)(H,158,205)(H,159,206)(H,160,207)(H,163,219)(H,164,194)(H,165,195)(H,166,193)(H,167,196)(H,168,214)(H,169,217)(H,170,208)(H,171,220)(H,172,202)(H,173,210)(H,174,213)(H,175,211)(H,176,212)(H,177,222)(H,178,223)(H,179,215)(H,180,209)(H,181,216)(H,182,221)(H,183,218)(H,198,199)(H,200,201)(H,225,226)(H4,146,147,152)(H4,148,149,153)/t73-,74-,75+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,114-,115-/m0/s1" . "NCC1OC(Cc2c1ccc(c2O)O)c1ccccc1" . "NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)c1ccccc1" . "SUHGRZPINGKYNV-GJZGRUSLSA-N" . "InChI=1S/C16H17NO3/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20-15)10-4-2-1-3-5-10/h1-7,14-15,18-19H,8-9,17H2/t14-,15-/m0/s1" . "O=C1Nc2ccccc2c2c(C1)c1cc(Br)ccc1[nH]2" . "O=C1Nc2ccccc2c2c(C1)c1cc(Br)ccc1[nH]2" . "QQUXFYAWXPMDOE-UHFFFAOYSA-N" . "InChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)" . "CSCCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(=O)O)CCC(=O)N)CC(=O)O)NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(N)C)C)Cc1nc[nH]c1)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)CC(C)C)CCC(=O)N " . "CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O" . "QECBZQJTOLCHOO-NJXJWFHUSA-N" . "InChI=1S/C149H230N46O43S/c1-71(2)47-93(127(217)168-67-117(207)193-43-22-29-106(193)142(232)191-120(76(11)12)143(233)186-95(49-73(5)6)131(221)184-100(55-84-61-159-70-170-84)135(225)188-103(51-75(9)10)146(236)195-45-24-31-108(195)141(231)180-91(37-39-110(152)200)128(218)179-92(40-46-239-17)126(216)167-66-116(206)176-102(57-118(208)209)137(227)178-90(36-38-109(151)199)129(219)189-104(147(237)238)58-119(210)211)182-130(220)94(48-72(3)4)183-133(223)97(52-81-32-34-85(198)35-33-81)174-115(205)64-164-122(212)78(14)171-139(229)105(68-196)190-136(226)101(56-111(153)201)185-132(222)96(50-74(7)8)187-144(234)121(80(16)197)192-138(228)98(53-82-59-162-87-26-19-18-25-86(82)87)175-113(203)63-163-112(202)62-165-124(214)88(27-20-41-160-148(154)155)173-114(204)65-166-125(215)89(28-21-42-161-149(156)157)177-134(224)99(54-83-60-158-69-169-83)181-123(213)79(15)172-140(230)107-30-23-44-194(107)145(235)77(13)150/h18-19,25-26,32-35,59-61,69-80,88-108,120-121,162,196-198H,20-24,27-31,36-58,62-68,150H2,1-17H3,(H2,151,199)(H2,152,200)(H2,153,201)(H,158,169)(H,159,170)(H,163,202)(H,164,212)(H,165,214)(H,166,215)(H,167,216)(H,168,217)(H,171,229)(H,172,230)(H,173,204)(H,174,205)(H,175,203)(H,176,206)(H,177,224)(H,178,227)(H,179,218)(H,180,231)(H,181,213)(H,182,220)(H,183,223)(H,184,221)(H,185,222)(H,186,233)(H,187,234)(H,188,225)(H,189,219)(H,190,226)(H,191,232)(H,192,228)(H,208,209)(H,210,211)(H,237,238)(H4,154,155,160)(H4,156,157,161)/t77-,78-,79-,80+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,120-,121-/m0/s1" . "CCCCCC(C=CC1CC2CC(C1CC=CCCCC(=O)O)O2)O" . "CCCCC[C@@H](/C=C/[C@H]1C[C@H]2C[C@@H]([C@@H]1C/C=C/CCCC(=O)O)O2)O" . "HAJUMEFPOWPAQL-IGUVKOCZSA-N" . "InChI=1S/C21H34O4/c1-2-3-6-9-17(22)13-12-16-14-18-15-20(25-18)19(16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17-,18-,19+,20-/m0/s1" . "NCCCCC(C(=O)OC)NC(=O)C1(C)NC(=O)c2nc(oc2C)C(C)(NC(=O)c2nc(C(NC(=O)c3nc1oc3C)(C)C(=O)NCC1CCCCC1)oc2C)C(=O)NC1c2ccccc2c2c1cccc2" . "NCCCC[C@@H](C(=O)OC)NC(=O)[C@]1(C)NC(=O)c2nc(oc2C)[C@@](C)(NC(=O)c2nc([C@](NC(=O)c3nc1oc3C)(C)C(=O)NCC1CCCCC1)oc2C)C(=O)NC1c2ccccc2c2c1cccc2" . "DOHGPSDHRIKTDB-KBAHWNQNSA-N" . "InChI=1S/C51H60N10O11/c1-26-36-41(64)61-51(6,45(68)55-38-32-21-13-11-19-30(32)31-20-12-14-22-33(31)38)48-58-37(28(3)72-48)40(63)60-50(5,44(67)54-34(42(65)69-7)23-15-16-24-52)47-57-35(27(2)71-47)39(62)59-49(4,46(56-36)70-26)43(66)53-25-29-17-9-8-10-18-29/h11-14,19-22,29,34,38H,8-10,15-18,23-25,52H2,1-7H3,(H,53,66)(H,54,67)(H,55,68)(H,59,62)(H,60,63)(H,61,64)/t34-,49-,50-,51-/m0/s1" . "NCCCCC(C(=O)Nc1ccc2c(c1)oc(=O)cc2C)NC(=O)C(NC(=O)OCC1c2ccccc2c2c1cccc2)CC1CCCCC1" . "NCCCC[C@@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2c2c1cccc2)CC1CCCCC1" . "IKNOZZKXIDSTRN-PXLJZGITSA-N" . "InChI=1S/C40H46N4O6/c1-25-21-37(45)50-36-23-27(18-19-28(25)36)42-38(46)34(17-9-10-20-41)43-39(47)35(22-26-11-3-2-4-12-26)44-40(48)49-24-33-31-15-7-5-13-29(31)30-14-6-8-16-32(30)33/h5-8,13-16,18-19,21,23,26,33-35H,2-4,9-12,17,20,22,24,41H2,1H3,(H,42,46)(H,43,47)(H,44,48)/t34-,35-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)C)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CN)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)C)CC(=O)O)CC(=O)N)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)Cc1nc[nH]c1)CC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O" . "WVFODTWUOPGPAP-CIJSCKBQSA-N" . "InChI=1S/C146H212N42O41/c1-15-75(10)119(186-122(205)77(12)165-128(211)101(51-84-60-153-68-161-84)181-142(225)110-31-24-42-188(110)116(199)65-160-123(206)93(43-71(2)3)172-129(212)95(45-73(6)7)173-131(214)98(49-82-34-38-88(193)39-35-82)169-114(197)63-158-121(204)76(11)164-140(223)108(66-189)185-136(219)105(55-112(150)195)178-130(213)96(46-74(8)9)182-144(227)120(79(14)191)187-139(222)100(167-113(196)58-148)50-83-59-157-90-28-20-19-27-89(83)90)143(226)183-107(57-118(202)203)138(221)179-104(54-111(149)194)135(218)177-102(52-85-61-154-69-162-85)133(216)171-92(30-23-41-156-146(151)152)126(209)184-109(67-190)141(224)175-99(47-80-25-17-16-18-26-80)132(215)176-103(53-86-62-155-70-163-86)134(217)180-106(56-117(200)201)137(220)170-91(29-21-22-40-147)125(208)174-97(48-81-32-36-87(192)37-33-81)124(207)159-64-115(198)168-94(44-72(4)5)127(210)166-78(13)145(228)229/h16-20,25-28,32-39,59-62,68-79,91-110,119-120,157,189-193H,15,21-24,29-31,40-58,63-67,147-148H2,1-14H3,(H2,149,194)(H2,150,195)(H,153,161)(H,154,162)(H,155,163)(H,158,204)(H,159,207)(H,160,206)(H,164,223)(H,165,211)(H,166,210)(H,167,196)(H,168,198)(H,169,197)(H,170,220)(H,171,216)(H,172,212)(H,173,214)(H,174,208)(H,175,224)(H,176,215)(H,177,218)(H,178,213)(H,179,221)(H,180,217)(H,181,225)(H,182,227)(H,183,226)(H,184,209)(H,185,219)(H,186,205)(H,187,222)(H,200,201)(H,202,203)(H,228,229)(H4,151,152,156)/t75-,76-,77-,78-,79+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,119-,120-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)C)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(CC(C)C)N)CC(C)C)Cc1nc[nH]c1)C)CC(=O)O)CC(=O)N)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)Cc1nc[nH]c1)CC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O" . "UAOTUUKSRUXJQS-UDKLMHSUSA-N" . "InChI=1S/C102H153N31O28/c1-11-54(8)83(132-84(143)55(9)117-91(150)70(36-59-42-108-48-114-59)129-99(158)77-23-18-30-133(77)80(138)46-113-86(145)66(32-52(4)5)122-85(144)63(104)31-51(2)3)100(159)130-75(41-82(141)142)97(156)127-73(39-78(105)136)95(154)126-71(37-60-43-109-49-115-60)93(152)121-65(22-17-29-111-102(106)107)89(148)131-76(47-134)98(157)124-69(34-57-19-13-12-14-20-57)92(151)125-72(38-61-44-110-50-116-61)94(153)128-74(40-81(139)140)96(155)120-64(21-15-16-28-103)88(147)123-68(35-58-24-26-62(135)27-25-58)87(146)112-45-79(137)119-67(33-53(6)7)90(149)118-56(10)101(160)161/h12-14,19-20,24-27,42-44,48-56,63-77,83,134-135H,11,15-18,21-23,28-41,45-47,103-104H2,1-10H3,(H2,105,136)(H,108,114)(H,109,115)(H,110,116)(H,112,146)(H,113,145)(H,117,150)(H,118,149)(H,119,137)(H,120,155)(H,121,152)(H,122,144)(H,123,147)(H,124,157)(H,125,151)(H,126,154)(H,127,156)(H,128,153)(H,129,158)(H,130,159)(H,131,148)(H,132,143)(H,139,140)(H,141,142)(H,160,161)(H4,106,107,111)/t54-,55-,56-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,83-/m0/s1" . "OC(=O)CCc1c(C)ccc2c1CCC(C2)NS(=O)(=O)c1ccc(cc1)Cl" . "OC(=O)CCc1c(C)ccc2c1CC[C@H](C2)NS(=O)(=O)c1ccc(cc1)Cl" . "HWEOXFSBSQIWSY-MRXNPFEDSA-N" . "InChI=1S/C20H22ClNO4S/c1-13-2-3-14-12-16(6-9-19(14)18(13)10-11-20(23)24)22-27(25,26)17-7-4-15(21)5-8-17/h2-5,7-8,16,22H,6,9-12H2,1H3,(H,23,24)/t16-/m1/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)C(O)C)CC(C)C)Cc1nc[nH]c1)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(CC(C)C)N)CC(C)C)Cc1nc[nH]c1)C)CC(=O)O)CC(=O)N)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)CO)CC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O" . "VPBCUXGDMVBSJJ-QSWXDPCQSA-N" . "InChI=1S/C97H151N31O29/c1-11-50(8)77(126-79(139)51(9)112-85(145)64(32-55-38-104-45-110-55)122-94(154)71-23-18-26-128(71)74(134)41-108-81(141)60(28-48(4)5)116-80(140)57(99)27-47(2)3)95(155)123-68(36-76(137)138)90(150)120-66(34-72(100)132)88(148)119-65(33-56-39-105-46-111-56)87(147)115-59(22-17-25-106-97(101)102)84(144)124-69(42-129)92(152)117-62(30-53-19-13-12-14-20-53)86(146)125-70(43-130)93(153)121-67(35-75(135)136)89(149)114-58(21-15-16-24-98)83(143)118-63(31-54-37-103-44-109-54)82(142)107-40-73(133)113-61(29-49(6)7)91(151)127-78(52(10)131)96(156)157/h12-14,19-20,37-39,44-52,57-71,77-78,129-131H,11,15-18,21-36,40-43,98-99H2,1-10H3,(H2,100,132)(H,103,109)(H,104,110)(H,105,111)(H,107,142)(H,108,141)(H,112,145)(H,113,133)(H,114,149)(H,115,147)(H,116,140)(H,117,152)(H,118,143)(H,119,148)(H,120,150)(H,121,153)(H,122,154)(H,123,155)(H,124,144)(H,125,146)(H,126,139)(H,127,151)(H,135,136)(H,137,138)(H,156,157)(H4,101,102,106)/t50-,51-,52+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,77-,78-/m0/s1" . "CCCCCC(C=CC1CC2OC(C1CC=CCCCC(=O)O)C2(F)F)O" . "CCCCC[C@@H](/C=C/[C@H]1C[C@@H]2O[C@H]([C@@H]1C/C=C/CCCC(=O)O)C2(F)F)O" . "CIYZUODQUHAGKZ-SCVXEUJASA-N" . "InChI=1S/C21H32F2O4/c1-2-3-6-9-16(24)13-12-15-14-18-21(22,23)20(27-18)17(15)10-7-4-5-8-11-19(25)26/h4,7,12-13,15-18,20,24H,2-3,5-6,8-11,14H2,1H3,(H,25,26)/b7-4-,13-12+/t15-,16-,17+,18-,20+/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)C(O)C)CC(C)C)Cc1nc[nH]c1)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)N)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)C)CC(=O)O)CC(=O)N)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)CO)CC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O" . "OEYNEKWXIPNQHZ-VFYYSKAESA-N" . "InChI=1S/C128H197N39O40/c1-15-64(10)102(165-105(184)66(12)146-110(189)84(42-72-49-136-58-143-72)159-124(203)93-27-22-34-167(93)98(178)53-141-106(185)77(35-60(2)3)151-111(190)79(37-62(6)7)152-113(192)81(40-70-28-30-74(173)31-29-70)148-96(176)51-139-104(183)65(11)145-121(200)90(54-168)163-117(196)87(45-95(131)175)156-112(191)80(38-63(8)9)160-125(204)101(132)67(13)171)126(205)161-89(47-100(181)182)119(198)157-86(44-94(130)174)116(195)155-85(43-73-50-137-59-144-73)115(194)150-76(26-21-33-138-128(133)134)109(188)162-91(55-169)122(201)153-82(39-69-23-17-16-18-24-69)114(193)164-92(56-170)123(202)158-88(46-99(179)180)118(197)149-75(25-19-20-32-129)108(187)154-83(41-71-48-135-57-142-71)107(186)140-52-97(177)147-78(36-61(4)5)120(199)166-103(68(14)172)127(206)207/h16-18,23-24,28-31,48-50,57-68,75-93,101-103,168-173H,15,19-22,25-27,32-47,51-56,129,132H2,1-14H3,(H2,130,174)(H2,131,175)(H,135,142)(H,136,143)(H,137,144)(H,139,183)(H,140,186)(H,141,185)(H,145,200)(H,146,189)(H,147,177)(H,148,176)(H,149,197)(H,150,194)(H,151,190)(H,152,192)(H,153,201)(H,154,187)(H,155,195)(H,156,191)(H,157,198)(H,158,202)(H,159,203)(H,160,204)(H,161,205)(H,162,188)(H,163,196)(H,164,193)(H,165,184)(H,166,199)(H,179,180)(H,181,182)(H,206,207)(H4,133,134,138)/t64-,65-,66-,67+,68+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,101-,102-,103-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)C)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)N)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)C)CC(=O)O)CC(=O)N)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)Cc1nc[nH]c1)CC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O" . "LDEAEHIIHOWDLI-BQZNQBJUSA-N" . "InChI=1S/C133H199N39O39/c1-15-68(10)108(171-110(188)70(12)151-116(194)90(46-76-53-140-61-147-76)166-129(207)99-27-22-38-172(99)104(182)58-146-111(189)83(39-64(2)3)157-117(195)85(41-66(6)7)158-119(197)88(45-75-30-34-80(177)35-31-75)154-102(180)56-144-109(187)69(11)150-127(205)97(59-173)170-124(202)94(50-101(136)179)163-118(196)86(42-67(8)9)167-130(208)107(137)72(14)175)131(209)168-96(52-106(185)186)126(204)164-93(49-100(135)178)123(201)162-91(47-77-54-141-62-148-77)121(199)156-82(26-21-37-143-133(138)139)114(192)169-98(60-174)128(206)160-89(43-73-23-17-16-18-24-73)120(198)161-92(48-78-55-142-63-149-78)122(200)165-95(51-105(183)184)125(203)155-81(25-19-20-36-134)113(191)159-87(44-74-28-32-79(176)33-29-74)112(190)145-57-103(181)153-84(40-65(4)5)115(193)152-71(13)132(210)211/h16-18,23-24,28-35,53-55,61-72,81-99,107-108,173-177H,15,19-22,25-27,36-52,56-60,134,137H2,1-14H3,(H2,135,178)(H2,136,179)(H,140,147)(H,141,148)(H,142,149)(H,144,187)(H,145,190)(H,146,189)(H,150,205)(H,151,194)(H,152,193)(H,153,181)(H,154,180)(H,155,203)(H,156,199)(H,157,195)(H,158,197)(H,159,191)(H,160,206)(H,161,198)(H,162,201)(H,163,196)(H,164,204)(H,165,200)(H,166,207)(H,167,208)(H,168,209)(H,169,192)(H,170,202)(H,171,188)(H,183,184)(H,185,186)(H,210,211)(H4,138,139,143)/t68-,69-,70-,71-,72+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,107-,108-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CO)C(O)C)CC(C)C)CC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CN)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)C)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)CO)CC(=O)O " . "CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O" . "CBSXZYWGVAQSHI-RUKUCZSXSA-N" . "InChI=1S/C139H210N42O43/c1-65(2)38-84(165-121(206)86(40-67(5)6)166-123(208)88(43-75-31-33-79(188)34-32-75)161-106(193)55-151-114(199)70(11)157-131(216)97(59-182)175-127(212)95(49-104(144)191)170-122(207)87(41-68(7)8)173-136(221)112(72(13)186)180-130(215)90(159-105(192)51-141)44-76-52-150-81-27-19-18-26-80(76)81)116(201)154-58-109(196)181-37-23-30-101(181)134(219)172-91(45-77-53-147-63-155-77)120(205)158-71(12)115(200)178-111(69(9)10)135(220)153-57-108(195)162-94(48-103(143)190)126(211)168-92(46-78-54-148-64-156-78)125(210)164-83(29-22-36-149-139(145)146)119(204)174-98(60-183)132(217)167-89(42-74-24-16-15-17-25-74)124(209)176-99(61-184)133(218)171-96(50-110(197)198)128(213)163-82(28-20-21-35-140)118(203)169-93(47-102(142)189)117(202)152-56-107(194)160-85(39-66(3)4)129(214)179-113(73(14)187)137(222)177-100(62-185)138(223)224/h15-19,24-27,31-34,52-54,63-73,82-101,111-113,150,182-188H,20-23,28-30,35-51,55-62,140-141H2,1-14H3,(H2,142,189)(H2,143,190)(H2,144,191)(H,147,155)(H,148,156)(H,151,199)(H,152,202)(H,153,220)(H,154,201)(H,157,216)(H,158,205)(H,159,192)(H,160,194)(H,161,193)(H,162,195)(H,163,213)(H,164,210)(H,165,206)(H,166,208)(H,167,217)(H,168,211)(H,169,203)(H,170,207)(H,171,218)(H,172,219)(H,173,221)(H,174,204)(H,175,212)(H,176,209)(H,177,222)(H,178,200)(H,179,214)(H,180,215)(H,197,198)(H,223,224)(H4,145,146,149)/t70-,71-,72+,73+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,111-,112-,113-/m0/s1" . "NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)Cc1nc[nH]c1)CC(=O)N)C(C)C)C)Cc1nc[nH]c1)CC(C)C)CC(C)C)Cc1ccc(cc1)O)C)CO)CC(=O)N)CC(C)C)C(O)C)Cc1c[nH]c2c1cccc2 " . "CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)C(C)C" . "UKPCKEWJIIKMHQ-WNXXINOUSA-N" . "InChI=1S/C89H130N26O25/c1-42(2)23-56(77(127)98-38-72(124)115-22-14-17-66(115)86(136)109-61(28-51-34-93-40-99-51)78(128)102-47(10)76(126)113-73(45(7)8)87(137)97-37-71(123)105-62(30-67(91)119)82(132)111-64(89(139)140)29-52-35-94-41-100-52)106-79(129)57(24-43(3)4)107-81(131)59(26-49-18-20-53(118)21-19-49)104-70(122)36-96-75(125)46(9)101-85(135)65(39-116)112-83(133)63(31-68(92)120)108-80(130)58(25-44(5)6)110-88(138)74(48(11)117)114-84(134)60(103-69(121)32-90)27-50-33-95-55-16-13-12-15-54(50)55/h12-13,15-16,18-21,33-35,40-48,56-66,73-74,95,116-118H,14,17,22-32,36-39,90H2,1-11H3,(H2,91,119)(H2,92,120)(H,93,99)(H,94,100)(H,96,125)(H,97,137)(H,98,127)(H,101,135)(H,102,128)(H,103,121)(H,104,122)(H,105,123)(H,106,129)(H,107,131)(H,108,130)(H,109,136)(H,110,138)(H,111,132)(H,112,133)(H,113,126)(H,114,134)(H,139,140)/t46-,47-,48+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,73-,74-/m0/s1" . "CCOC(=O)c1c(C)[nH]c(c1C)C=C1C(=O)Nc2c1cccc2" . "CCOC(=O)c1c(C)[nH]c(c1C)/C=C/1/C(=O)Nc2c1cccc2" . "PMUJUSJUVIXDQC-LCYFTJDESA-N" . "InChI=1S/C18H18N2O3/c1-4-23-18(22)16-10(2)15(19-11(16)3)9-13-12-7-5-6-8-14(12)20-17(13)21/h5-9,19H,4H2,1-3H3,(H,20,21)/b13-9-" . "Oc1cc(ccc1C(=O)c1ccccc1)N1CCOCC1" . "Oc1cc(ccc1C(=O)c1ccccc1)N1CCOCC1" . "FALILNHGILFDLC-UHFFFAOYSA-N" . "InChI=1S/C17H17NO3/c19-16-12-14(18-8-10-21-11-9-18)6-7-15(16)17(20)13-4-2-1-3-5-13/h1-7,12,19H,8-11H2" . "NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(CC)C)C(=O)O)C)Cc1nc[nH]c1)CC(C)C)CC(C)C)Cc1ccc(cc1)O)C)CO)CC(=O)N)CC(C)C)C(O)C)Cc1c[nH]c2c1cccc2 " . "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)O" . "FHTSPMGFAZMZJT-GDGJPEIESA-N" . "InChI=1S/C78H116N20O21/c1-12-41(8)64(78(118)119)96-67(107)43(10)87-69(109)56(29-47-33-81-37-85-47)93-76(116)59-18-15-23-98(59)63(105)35-84-68(108)51(24-38(2)3)90-70(110)52(25-39(4)5)91-72(112)54(27-45-19-21-48(101)22-20-45)89-62(104)34-83-66(106)42(9)86-75(115)58(36-99)95-73(113)57(30-60(80)102)92-71(111)53(26-40(6)7)94-77(117)65(44(11)100)97-74(114)55(88-61(103)31-79)28-46-32-82-50-17-14-13-16-49(46)50/h13-14,16-17,19-22,32-33,37-44,51-59,64-65,82,99-101H,12,15,18,23-31,34-36,79H2,1-11H3,(H2,80,102)(H,81,85)(H,83,106)(H,84,108)(H,86,115)(H,87,109)(H,88,103)(H,89,104)(H,90,110)(H,91,112)(H,92,111)(H,93,116)(H,94,117)(H,95,113)(H,96,107)(H,97,114)(H,118,119)/t41-,42-,43-,44+,51-,52-,53-,54-,55-,56-,57-,58-,59-,64-,65-/m0/s1" . "NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)C)Cc1nc[nH]c1)CC(C)C)CC(C)C)Cc1ccc(cc1)O)C)CO)CC(=O)N)CC(C)C)C(O)C)Cc1c[nH]c2c1cccc2 " . "CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)O" . "LOXLDVDBPRBBLT-GDRYISODSA-N" . "InChI=1S/C72H105N19O20/c1-35(2)21-47(62(100)78-32-59(98)91-20-12-15-55(91)70(108)87-52(26-43-30-75-34-79-43)63(101)81-39(8)72(110)111)84-64(102)48(22-36(3)4)85-66(104)50(24-41-16-18-44(94)19-17-41)83-58(97)31-77-61(99)38(7)80-69(107)54(33-92)89-67(105)53(27-56(74)95)86-65(103)49(23-37(5)6)88-71(109)60(40(9)93)90-68(106)51(82-57(96)28-73)25-42-29-76-46-14-11-10-13-45(42)46/h10-11,13-14,16-19,29-30,34-40,47-55,60,76,92-94H,12,15,20-28,31-33,73H2,1-9H3,(H2,74,95)(H,75,79)(H,77,99)(H,78,100)(H,80,107)(H,81,101)(H,82,96)(H,83,97)(H,84,102)(H,85,104)(H,86,103)(H,87,108)(H,88,109)(H,89,105)(H,90,106)(H,110,111)/t38-,39-,40+,47-,48-,49-,50-,51-,52-,53-,54-,55-,60-/m0/s1" . "NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)CC(C)C)Cc1ccc(cc1)O)C)CO)CC(=O)N)CC(C)C)C(O)C)Cc1c[nH]c2c1cccc2 " . "CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)O" . "WVBIAJKQIUYYOO-HOBSFDBDSA-N" . "InChI=1S/C56H83N13O16/c1-27(2)17-37(50(78)67-42(56(84)85)19-29(5)6)64-51(79)39(20-32-13-15-34(72)16-14-32)63-46(75)25-60-48(76)30(7)61-54(82)43(26-70)68-52(80)41(22-44(58)73)65-49(77)38(18-28(3)4)66-55(83)47(31(8)71)69-53(81)40(62-45(74)23-57)21-33-24-59-36-12-10-9-11-35(33)36/h9-16,24,27-31,37-43,47,59,70-72H,17-23,25-26,57H2,1-8H3,(H2,58,73)(H,60,76)(H,61,82)(H,62,74)(H,63,75)(H,64,79)(H,65,77)(H,66,83)(H,67,78)(H,68,80)(H,69,81)(H,84,85)/t30-,31+,37-,38-,39-,40-,41-,42-,43-,47-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)C)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(N)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)C)CC(=O)O)CC(=O)N)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)Cc1nc[nH]c1)CC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O" . "AMJDZAOLXJXHIM-DGFPZSQGSA-N" . "InChI=1S/C116H170N34O32/c1-12-61(8)95(149-97(163)63(10)132-103(169)81(42-68-48-122-55-129-68)146-113(179)88-24-19-35-150(88)92(157)53-128-98(164)75(36-58(2)3)138-104(170)77(38-60(6)7)139-105(171)79(41-67-27-31-72(153)32-28-67)135-90(155)51-126-96(162)62(9)118)114(180)147-86(47-94(160)161)111(177)144-84(45-89(119)154)109(175)143-82(43-69-49-123-56-130-69)107(173)137-74(23-18-34-125-116(120)121)101(167)148-87(54-151)112(178)141-80(39-65-20-14-13-15-21-65)106(172)142-83(44-70-50-124-57-131-70)108(174)145-85(46-93(158)159)110(176)136-73(22-16-17-33-117)100(166)140-78(40-66-25-29-71(152)30-26-66)99(165)127-52-91(156)134-76(37-59(4)5)102(168)133-64(11)115(181)182/h13-15,20-21,25-32,48-50,55-64,73-88,95,151-153H,12,16-19,22-24,33-47,51-54,117-118H2,1-11H3,(H2,119,154)(H,122,129)(H,123,130)(H,124,131)(H,126,162)(H,127,165)(H,128,164)(H,132,169)(H,133,168)(H,134,156)(H,135,155)(H,136,176)(H,137,173)(H,138,170)(H,139,171)(H,140,166)(H,141,178)(H,142,172)(H,143,175)(H,144,177)(H,145,174)(H,146,179)(H,147,180)(H,148,167)(H,149,163)(H,158,159)(H,160,161)(H,181,182)(H4,120,121,125)/t61-,62-,63-,64-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,95-/m0/s1" . "COC(=O)C1=C(C)NC(=C(C1C)C(=O)OCCSc1ccccc1)C" . "COC(=O)C1=C(C)NC(=C(C1C)C(=O)OCCSc1ccccc1)C" . "DHCNAWNKZMNTIS-UHFFFAOYSA-N" . "InChI=1S/C19H23NO4S/c1-12-16(18(21)23-4)13(2)20-14(3)17(12)19(22)24-10-11-25-15-8-6-5-7-9-15/h5-9,12,20H,10-11H2,1-4H3" . "CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)(OCC[n+]1ccsc1)[O-])OC" . "CCCCCCCCCCCCCCCCCCNC(=O)OCC(COP(=O)(OCC[n+]1ccsc1)[O-])OC" . "NMHKTASGTFXJPL-UHFFFAOYSA-N" . "InChI=1S/C28H53N2O7PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29-28(31)35-24-27(34-2)25-37-38(32,33)36-22-20-30-21-23-39-26-30/h21,23,26-27H,3-20,22,24-25H2,1-2H3,(H-,29,31,32,33)" . "CCCCCCC(C(=O)O)O" . "CCCCCCC(C(=O)O)O" . "JKRDADVRIYVCCY-UHFFFAOYSA-N" . "InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)C(CC)C)CCC(=O)O)CCCCN)CCC(=O)O)C(O)C)CCCCN)CC(=O)N)CC(=O)N)CC(=O)O)C(CC)C)CC(C)C)NC(=O)C(C(O)C)NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CS)N)CCC(=O)O)Cc1ccccc1)CC(C)C)CCCCN)CCC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CS)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)O" . "KSDDQEGWVBODMD-OULINLAESA-N" . "InChI=1S/C116H196N28O37S/c1-17-61(13)91(112(176)137-80(54-88(157)158)107(171)136-79(53-83(123)148)106(170)135-78(52-82(122)147)105(169)126-70(35-25-29-47-120)101(165)143-93(63(15)145)114(178)131-72(37-41-85(151)152)99(163)125-67(32-22-26-44-117)96(160)128-74(39-43-87(155)156)103(167)141-92(62(14)18-2)113(177)138-81(116(180)181)50-58(7)8)142-109(173)76(49-57(5)6)132-98(162)69(34-24-28-46-119)130-115(179)94(64(16)146)144-111(175)90(60(11)12)139-102(166)73(38-42-86(153)154)127-97(161)68(33-23-27-45-118)129-110(174)89(59(9)10)140-108(172)75(48-56(3)4)133-104(168)77(51-65-30-20-19-21-31-65)134-100(164)71(36-40-84(149)150)124-95(159)66(121)55-182/h19-21,30-31,56-64,66-81,89-94,145-146,182H,17-18,22-29,32-55,117-121H2,1-16H3,(H2,122,147)(H2,123,148)(H,124,159)(H,125,163)(H,126,169)(H,127,161)(H,128,160)(H,129,174)(H,130,179)(H,131,178)(H,132,162)(H,133,168)(H,134,164)(H,135,170)(H,136,171)(H,137,176)(H,138,177)(H,139,166)(H,140,172)(H,141,167)(H,142,173)(H,143,165)(H,144,175)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H,180,181)/t61-,62-,63+,64+,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,89-,90-,91-,92-,93-,94-/m0/s1" . "CC(CN(C(=O)C1OCCN(C1)Cc1ccccc1)Cc1ccc2c(c1)OCCCO2)C" . "CC(CN(C(=O)C1OCCN(C1)Cc1ccccc1)Cc1ccc2c(c1)OCCCO2)C" . "KQQGCZSZDMHKOX-UHFFFAOYSA-N" . "InChI=1S/C26H34N2O4/c1-20(2)16-28(18-22-9-10-23-24(15-22)31-13-6-12-30-23)26(29)25-19-27(11-14-32-25)17-21-7-4-3-5-8-21/h3-5,7-10,15,20,25H,6,11-14,16-19H2,1-2H3" . "CCC(C(C(=O)NC(C(=O)N1CCCC1C(=O)O)Cc1nc[nH]c1)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(N)C)CCCN=C(N)N)Cc1ccc(cc1)O)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)O" . "QVMYBFKDLPBYSO-GIGALADGSA-N" . "InChI=1S/C40H62N12O9/c1-6-22(4)32(37(58)49-29(18-25-19-44-20-46-25)38(59)52-16-8-10-30(52)39(60)61)51-35(56)28(17-24-11-13-26(53)14-12-24)48-36(57)31(21(2)3)50-34(55)27(47-33(54)23(5)41)9-7-15-45-40(42)43/h11-14,19-23,27-32,53H,6-10,15-18,41H2,1-5H3,(H,44,46)(H,47,54)(H,48,57)(H,49,58)(H,50,55)(H,51,56)(H,60,61)(H4,42,43,45)/t22-,23-,27-,28-,29-,30-,31-,32-/m0/s1" . "CCc1ccc(cc1)Cn1c(=O)nc(n(c1=O)Cc1ccc(cc1)OC)NCCN=C(N)N" . "CCc1ccc(cc1)Cn1c(=O)nc(n(c1=O)Cc1ccc(cc1)OC)NCCN=C(N)N" . "FIIIITZGLKCLHY-UHFFFAOYSA-N" . "InChI=1S/C23H29N7O3/c1-3-16-4-6-17(7-5-16)15-30-22(31)28-21(27-13-12-26-20(24)25)29(23(30)32)14-18-8-10-19(33-2)11-9-18/h4-11H,3,12-15H2,1-2H3,(H4,24,25,26)(H,27,28,31)" . "Clc1ccc(cc1)C(c1ccccc1)(OCCC1CCCN1C)C" . "Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C" . "YNNUSGIPVFPVBX-NHCUHLMSSA-N" . "InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1" . "OCCNS(=O)(=O)c1cc(ccc1Cl)c1sc(nc1C)NC(=O)C" . "OCCNS(=O)(=O)c1cc(ccc1Cl)c1sc(nc1C)NC(=O)C" . "JFVNFXCESCXMBC-UHFFFAOYSA-N" . "InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)" . "CC=CCCCCC=CCCCCC(=O)OC1C(O)C2(OC1(C(=O)O)C(O)(C(=O)O)C(O2)C(=O)O)CCC(C(C(CC=Cc1ccccc1)C)O)C" . "C/C=C/CCCC/C=C/CCCCC(=O)O[C@@H]1[C@@H](O)[C@@]2(O[C@@]1(C(=O)O)[C@](O)(C(=O)O)[C@H](O2)C(=O)O)CCC(C(C(C/C=C/c1ccccc1)C)O)C" . "VFZAKIFLDMCTJV-NZHUAJKLSA-N" . "InChI=1S/C39H54O13/c1-4-5-6-7-8-9-10-11-12-13-17-23-29(40)50-32-31(42)37(51-33(34(43)44)38(49,35(45)46)39(32,52-37)36(47)48)25-24-27(3)30(41)26(2)19-18-22-28-20-15-14-16-21-28/h4-5,10-11,14-16,18,20-22,26-27,30-33,41-42,49H,6-9,12-13,17,19,23-25H2,1-3H3,(H,43,44)(H,45,46)(H,47,48)/b5-4+,11-10+,22-18+/t26?,27?,30?,31-,32-,33-,37+,38-,39+/m1/s1" . "COCC1OC(=O)c2c3C1(C)C1=C(C(=O)c3oc2)C2C(CC1OC(=O)C)(C)C(=O)CC2" . "COC[C@H]1OC(=O)c2c3[C@@]1(C)C1=C(C(=O)c3oc2)[C@H]2[C@@](C[C@H]1OC(=O)C)(C)C(=O)CC2" . "QDLHCMPXEPAAMD-QAIWCSMKSA-N" . "InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1" . "Fc1ccc(c(c1)F)c1nc(ccc1C(=O)N)N(c1c(F)cccc1F)C(=O)N" . "Fc1ccc(c(c1)F)c1nc(ccc1C(=O)N)N(c1c(F)cccc1F)C(=O)N" . "FYSRKRZDBHOFAY-UHFFFAOYSA-N" . "InChI=1S/C19H12F4N4O2/c20-9-4-5-10(14(23)8-9)16-11(18(24)28)6-7-15(26-16)27(19(25)29)17-12(21)2-1-3-13(17)22/h1-8H,(H2,24,28)(H2,25,29)" . "COc1cc2c(ccnc2cc1OC)Oc1ccc(c(c1)Cl)NC(=O)Nc1noc(c1)C" . "COc1cc2c(ccnc2cc1OC)Oc1ccc(c(c1)Cl)NC(=O)Nc1noc(c1)C" . "SPMVMDHWKHCIDT-UHFFFAOYSA-N" . "InChI=1S/C22H19ClN4O5/c1-12-8-21(27-32-12)26-22(28)25-16-5-4-13(9-15(16)23)31-18-6-7-24-17-11-20(30-3)19(29-2)10-14(17)18/h4-11H,1-3H3,(H2,25,26,27,28)" . "O=c1c2ccccc2c2c3c1cccc3n(n2)C" . "O=c1c2ccccc2c2c3c1cccc3n(n2)C" . "ODZGYELAMAOARP-UHFFFAOYSA-N" . "InChI=1S/C15H10N2O/c1-17-12-8-4-7-11-13(12)14(16-17)9-5-2-3-6-10(9)15(11)18/h2-8H,1H3" . "CCCNC(=O)Nc1ccc(cc1Cl)Oc1ncnc2c1cc(OC)c(c2)OC" . "CCCNC(=O)Nc1ccc(cc1Cl)Oc1ncnc2c1cc(OC)c(c2)OC" . "VPBYZLCHOKSGRX-UHFFFAOYSA-N" . "InChI=1S/C20H21ClN4O4/c1-4-7-22-20(26)25-15-6-5-12(8-14(15)21)29-19-13-9-17(27-2)18(28-3)10-16(13)23-11-24-19/h5-6,8-11H,4,7H2,1-3H3,(H2,22,25,26)" . "Clc1ccc(cc1)NC(=O)c1ccccc1NCc1ccncc1" . "Clc1ccc(cc1)NC(=O)c1ccccc1NCc1ccncc1" . "GGPZCOONYBPZEW-UHFFFAOYSA-N" . "InChI=1S/C19H16ClN3O/c20-15-5-7-16(8-6-15)23-19(24)17-3-1-2-4-18(17)22-13-14-9-11-21-12-10-14/h1-12,22H,13H2,(H,23,24)" . "CC(=O)c1ccc(cc1O)N1CCOCC1" . "CC(=O)c1ccc(cc1O)N1CCOCC1" . "YHKSBKQXCWHTQL-UHFFFAOYSA-N" . "InChI=1S/C12H15NO3/c1-9(14)11-3-2-10(8-12(11)15)13-4-6-16-7-5-13/h2-3,8,15H,4-7H2,1H3" . "N#Cc1cnc2c(c1Nc1ccc(c(c1)Cl)F)cc(nc2)NCc1cccnc1" . "N#Cc1cnc2c(c1Nc1ccc(c(c1)Cl)F)cc(nc2)NCc1cccnc1" . "NMEUKWOOQOHUNA-UHFFFAOYSA-N" . "InChI=1S/C21H14ClFN6/c22-17-6-15(3-4-18(17)23)29-21-14(8-24)11-26-19-12-28-20(7-16(19)21)27-10-13-2-1-5-25-9-13/h1-7,9,11-12H,10H2,(H,26,29)(H,27,28)" . "c1ccc(nc1)c1[nH]ncc1c1ccnc2c1cccc2" . "c1ccc(nc1)c1[nH]ncc1c1ccnc2c1cccc2" . "IBCXZJCWDGCXQT-UHFFFAOYSA-N" . "InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)" . "Cc1cccc(n1)c1[nH]c(nc1c1ccc2c(c1)OCO2)C(C)(C)C" . "Cc1cccc(n1)c1[nH]c(nc1c1ccc2c(c1)OCO2)C(C)(C)C" . "WGZOTBUYUFBEPZ-UHFFFAOYSA-N" . "InChI=1S/C20H21N3O2/c1-12-6-5-7-14(21-12)18-17(22-19(23-18)20(2,3)4)13-8-9-15-16(10-13)25-11-24-15/h5-10H,11H2,1-4H3,(H,22,23)" . "[O-][N+](=O)C=Cc1ccc2c(c1)OCO2" . "[O-][N+](=O)/C=C/c1ccc2c(c1)OCO2" . "KFLWBZPSJQPRDD-ONEGZZNKSA-N" . "InChI=1S/C9H7NO4/c11-10(12)4-3-7-1-2-8-9(5-7)14-6-13-8/h1-5H,6H2/b4-3+" . "NCCNc1ncc(c(n1)Nc1cccc(c1)C(F)(F)F)C(=O)N" . "NCCNc1ncc(c(n1)Nc1cccc(c1)C(F)(F)F)C(=O)N" . "FQNFLNSVHWCZML-UHFFFAOYSA-N" . "InChI=1S/C14H15F3N6O/c15-14(16,17)8-2-1-3-9(6-8)22-12-10(11(19)24)7-21-13(23-12)20-5-4-18/h1-3,6-7H,4-5,18H2,(H2,19,24)(H2,20,21,22,23)" . "O=C1Nc2c(C1=Cc1cn(c3c1cccc3)C)cc(cc2)S(=O)(=O)N" . "O=C1Nc2c(/C/1=C/c1cn(c3c1cccc3)C)cc(cc2)S(=O)(=O)N" . "MLKHXLFEYOOYEY-NVNXTCNLSA-N" . "InChI=1S/C18H15N3O3S/c1-21-10-11(13-4-2-3-5-17(13)21)8-15-14-9-12(25(19,23)24)6-7-16(14)20-18(15)22/h2-10H,1H3,(H,20,22)(H2,19,23,24)/b15-8-" . "COc1ccc2c(c1)C(=Cc1cnc[nH]1)C(=O)N2" . "COc1ccc2c(c1)/C(=C/c1cnc[nH]1)/C(=O)N2" . "QNUKRWAIZMBVCU-WCIBSUBMSA-N" . "InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-" . "O=C1Nc2c(C1=Cc1cc3c([nH]1)CCCC3)cc(cc2)S(=O)(=O)N(C)C" . "O=C1Nc2c(/C/1=C/c1cc3c([nH]1)CCCC3)cc(cc2)S(=O)(=O)N(C)C" . "LOGJQOUIVKBFGH-YBEGLDIGSA-N" . "InChI=1S/C19H21N3O3S/c1-22(2)26(24,25)14-7-8-18-15(11-14)16(19(23)21-18)10-13-9-12-5-3-4-6-17(12)20-13/h7-11,20H,3-6H2,1-2H3,(H,21,23)/b16-10-" . "CCN(CCNC(=O)c1c(C)[nH]c(c1C)C=C1C(=O)Nc2c1cc(Cl)cc2)CC" . "CCN(CCNC(=O)c1c(C)[nH]c(c1C)/C=C/1/C(=O)Nc2c1cc(Cl)cc2)CC" . "XPLJEFSRINKZLC-ATVHPVEESA-N" . "InChI=1S/C22H27ClN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-" . "COc1cc2c(ncnc2cc1OC)Nc1ccc(cc1)Oc1ccccc1" . "COc1cc2c(ncnc2cc1OC)Nc1ccc(cc1)Oc1ccccc1" . "DMWVGXGXHPOEPT-UHFFFAOYSA-N" . "InChI=1S/C22H19N3O3/c1-26-20-12-18-19(13-21(20)27-2)23-14-24-22(18)25-15-8-10-17(11-9-15)28-16-6-4-3-5-7-16/h3-14H,1-2H3,(H,23,24,25)" . "Oc1ccc(cc1)Nc1scc(n1)c1ccc(cc1)Cl" . "Oc1ccc(cc1)Nc1scc(n1)c1ccc(cc1)Cl" . "ZFGXZJKLOFCECI-UHFFFAOYSA-N" . "InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)" . "Fc1ccc(cc1)c1nc2n(c1c1ccncc1)CCS2" . "Fc1ccc(cc1)c1nc2n(c1c1ccncc1)CCS2" . "YOELZIQOLWZLQC-UHFFFAOYSA-N" . "InChI=1S/C16H12FN3S/c17-13-3-1-11(2-4-13)14-15(12-5-7-18-8-6-12)20-9-10-21-16(20)19-14/h1-8H,9-10H2" . "Cc1oc(c(n1)c1ccccc1)c1ccncc1" . "Cc1oc(c(n1)c1ccccc1)c1ccncc1" . "BHWCZLOXTLWZAQ-UHFFFAOYSA-N" . "InChI=1S/C15H12N2O/c1-11-17-14(12-5-3-2-4-6-12)15(18-11)13-7-9-16-10-8-13/h2-10H,1H3" . "Nc1nccc(n1)c1n(cnc1c1ccc(cc1)F)C1CCNCC1" . "Nc1nccc(n1)c1n(cnc1c1ccc(cc1)F)C1CCNCC1" . "VSPFURGQAYMVAN-UHFFFAOYSA-N" . "InChI=1S/C18H19FN6/c19-13-3-1-12(2-4-13)16-17(15-7-10-22-18(20)24-15)25(11-23-16)14-5-8-21-9-6-14/h1-4,7,10-11,14,21H,5-6,8-9H2,(H2,20,22,24)" . "O=c1[nH]c(=O)c2c1c1c3c4c2c2ccccc2n4C2OC(n3c3c1cccc3)CC2" . "O=c1[nH]c(=O)c2c1c1c3c4c2c2ccccc2n4C2OC(n3c3c1cccc3)CC2" . "OTPNDVKVEAIXTI-UHFFFAOYSA-N" . "InChI=1S/C24H15N3O3/c28-23-19-17-11-5-1-3-7-13(11)26-15-9-10-16(30-15)27-14-8-4-2-6-12(14)18(22(27)21(17)26)20(19)24(29)25-23/h1-8,15-16H,9-10H2,(H,25,28,29)" . "CCc1[nH]c(nc1c1ccncc1)c1ccc(cc1)OC" . "CCc1[nH]c(nc1c1ccncc1)c1ccc(cc1)OC" . "MYKGURNPAUBQLJ-UHFFFAOYSA-N" . "InChI=1S/C17H17N3O/c1-3-15-16(12-8-10-18-11-9-12)20-17(19-15)13-4-6-14(21-2)7-5-13/h4-11H,3H2,1-2H3,(H,19,20)" . "CCC(Nc1nc(NCc2ccccc2)c2c(n1)n(cn2)C(C)C)CO" . "CC[C@@H](Nc1nc(NCc2ccccc2)c2c(n1)n(cn2)C(C)C)CO" . "BTIHMVBBUGXLCJ-OAHLLOKOSA-N" . "InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1" . "CN(CC1CCn2c(C1)c(C1=C(C(=O)NC1=O)c1cn(c3c1cccc3)C)c1c2cccc1)C" . "CN(C[C@H]1CCn2c(C1)c(C1=C(C(=O)NC1=O)c1cn(c3c1cccc3)C)c1c2cccc1)C" . "FXGHOAZJQNLNFD-KRWDZBQOSA-N" . "InChI=1S/C28H28N4O2/c1-30(2)15-17-12-13-32-22-11-7-5-9-19(22)24(23(32)14-17)26-25(27(33)29-28(26)34)20-16-31(3)21-10-6-4-8-18(20)21/h4-11,16-17H,12-15H2,1-3H3,(H,29,33,34)/t17-/m0/s1" . "NCC(=O)N1CCCN(C(C1)C)S(=O)(=O)c1cccc2c1c(C)cnc2" . "NCC(=O)N1CCCN([C@H](C1)C)S(=O)(=O)c1cccc2c1c(C)cnc2" . "CMKMGFAUKPAOMG-AWEZNQCLSA-N" . "InChI=1S/C18H24N4O3S/c1-13-10-20-11-15-5-3-6-16(18(13)15)26(24,25)22-8-4-7-21(12-14(22)2)17(23)9-19/h3,5-6,10-11,14H,4,7-9,12,19H2,1-2H3/t14-/m0/s1" . "n1ccc(cc1)c1c[nH]c2c1cccc2" . "n1ccc(cc1)c1c[nH]c2c1cccc2" . "LLJRXVHJOJRCSM-UHFFFAOYSA-N" . "InChI=1S/C13H10N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-9,15H" . "COC1CC(CCC1O)CC(C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(CCC2C)CC(OC)C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)C1)C)C)O)OC)C)C)C)C" . "CO[C@@H]1C[C@@H](CC[C@H]1O)C[C@H]([C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H](CC[C@H]2C)C[C@H](OC)/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C1)C)/C)O)OC)C)C)/C)C" . "QFJCIRLUMZQUOT-HPLJOQBZSA-N" . "InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1" . "OCC(C(C)C)Nc1nc(Nc2cccc(c2)Cl)c2c(n1)n(cn2)C(C)C" . "OCC(C(C)C)Nc1nc(Nc2cccc(c2)Cl)c2c(n1)n(cn2)C(C)C" . "PMXCMJLOPOFPBT-UHFFFAOYSA-N" . "InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)" . "Nc1ncnc2c1cnn2c1ccccc1" . "Nc1ncnc2c1cnn2c1ccccc1" . "KKDPIZPUTYIBFX-UHFFFAOYSA-N" . "InChI=1S/C11H9N5/c12-10-9-6-15-16(11(9)14-7-13-10)8-4-2-1-3-5-8/h1-7H,(H2,12,13,14)" . "Nc1ncnc2c1c(Cc1cccc3c1cccc3)nn2C(C)(C)C" . "Nc1ncnc2c1c(Cc1cccc3c1cccc3)nn2C(C)(C)C" . "GDQXJQSQYMMKRA-UHFFFAOYSA-N" . "InChI=1S/C20H21N5/c1-20(2,3)25-19-17(18(21)22-12-23-19)16(24-25)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12H,11H2,1-3H3,(H2,21,22,23)" . "Clc1ccc2c(c1)C(=Cc1cc(Cl)c(c(c1)Cl)O)C(=O)N2" . "Clc1ccc2c(c1)/C(=C/c1cc(Cl)c(c(c1)Cl)O)/C(=O)N2" . "ZJFMARHFPUZEKI-KMKOMSMNSA-N" . "InChI=1S/C15H8Cl3NO2/c16-8-1-2-13-9(6-8)10(15(21)19-13)3-7-4-11(17)14(20)12(18)5-7/h1-6,20H,(H,19,21)/b10-3-" . "O=C1Nc2c(C1=Cc1cnc[nH]1)c1scnc1cc2" . "O=C1Nc2c(/C/1=C/c1cnc[nH]1)c1scnc1cc2" . "VFBGXTUGODTSPK-BAQGIRSFSA-N" . "InChI=1S/C13H8N4OS/c18-13-8(3-7-4-14-5-15-7)11-9(17-13)1-2-10-12(11)19-6-16-10/h1-6H,(H,14,15)(H,17,18)/b8-3-" . "O=C1NC(=O)C(=C1c1cn(c2c1cccc2)CCCn1cncc1)Nc1ccccc1" . "O=C1NC(=O)C(=C1c1cn(c2c1cccc2)CCCn1cncc1)Nc1ccccc1" . "KIWODJBCHRADND-UHFFFAOYSA-N" . "InChI=1S/C24H21N5O2/c30-23-21(22(24(31)27-23)26-17-7-2-1-3-8-17)19-15-29(20-10-5-4-9-18(19)20)13-6-12-28-14-11-25-16-28/h1-5,7-11,14-16H,6,12-13H2,(H2,26,27,30,31)" . "O=C1NC(=O)C(=Cc2ccc3c(c2)OC(O3)(F)F)S1" . "O=C1NC(=O)/C(=C/c2ccc3c(c2)OC(O3)(F)F)/S1" . "SRLVNYDXMUGOFI-YWEYNIOJSA-N" . "InChI=1S/C11H5F2NO4S/c12-11(13)17-6-2-1-5(3-7(6)18-11)4-8-9(15)14-10(16)19-8/h1-4H,(H,14,15,16)/b8-4-" . "O=C1NC(=O)C(=Cc2ccc3c(c2)nccn3)S1" . "O=C1NC(=O)/C(=C/c2ccc3c(c2)nccn3)/S1" . "SQWZFLMPDUSYGV-POHAHGRESA-N" . "InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)/b10-6-" . "O=C1c2nn3nnnc3nc2c2c1cccc2" . "O=C1c2nn3nnnc3nc2c2c1cccc2" . "DPANHMGWPXVBQI-UHFFFAOYSA-N" . "InChI=1S/C10H4N6O/c17-9-6-4-2-1-3-5(6)7-8(9)13-16-10(11-7)12-14-15-16/h1-4H" . "COc1cc2nccc(c2cc1OC)Oc1ccc(cc1)NC(=S)NC(=O)c1ccccc1C" . "COc1cc2nccc(c2cc1OC)Oc1ccc(cc1)NC(=S)NC(=O)c1ccccc1C" . "ZXGIBSBJQLLUEE-UHFFFAOYSA-N" . "InChI=1S/C26H23N3O4S/c1-16-6-4-5-7-19(16)25(30)29-26(34)28-17-8-10-18(11-9-17)33-22-12-13-27-21-15-24(32-3)23(31-2)14-20(21)22/h4-15H,1-3H3,(H2,28,29,30,34)" . "COc1cc2c(cc1OC)Cc1c2[nH]nc1Nc1cccc(c1)F" . "COc1cc2c(cc1OC)Cc1c2[nH]nc1Nc1cccc(c1)F" . "ZDNURMVOKAERHZ-UHFFFAOYSA-N" . "InChI=1S/C18H16FN3O2/c1-23-15-7-10-6-14-17(13(10)9-16(15)24-2)21-22-18(14)20-12-5-3-4-11(19)8-12/h3-5,7-9H,6H2,1-2H3,(H2,20,21,22)" . "COc1cc2c(cc1OC)ncnc2N1CCN(CC1)C(=O)Nc1ccc(cc1)Oc1ccccc1" . "COc1cc2c(cc1OC)ncnc2N1CCN(CC1)C(=O)Nc1ccc(cc1)Oc1ccccc1" . "INTPTKHSGKBHHW-UHFFFAOYSA-N" . "InChI=1S/C27H27N5O4/c1-34-24-16-22-23(17-25(24)35-2)28-18-29-26(22)31-12-14-32(15-13-31)27(33)30-19-8-10-21(11-9-19)36-20-6-4-3-5-7-20/h3-11,16-18H,12-15H2,1-2H3,(H,30,33)" . "CCCC(=O)Oc1ccc2c(c1)cc([nH]2)C(=O)c1cc2c([nH]1)cccc2" . "CCCC(=O)Oc1ccc2c(c1)cc([nH]2)C(=O)c1cc2c([nH]1)cccc2" . "CZDUJGOCEPWCNA-UHFFFAOYSA-N" . "InChI=1S/C21H18N2O3/c1-2-5-20(24)26-15-8-9-17-14(10-15)12-19(23-17)21(25)18-11-13-6-3-4-7-16(13)22-18/h3-4,6-12,22-23H,2,5H2,1H3" . "CCC(=O)Nc1ccc2c(c1)c(ncn2)Nc1cccc(c1)Br" . "CCC(=O)Nc1ccc2c(c1)c(ncn2)Nc1cccc(c1)Br" . "WUPUZEMRHDROEO-UHFFFAOYSA-N" . "InChI=1S/C17H15BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22)" . "Fc1ccc(cc1)c1nc([nH]c1c1ccncc1)c1ccc(cc1)[N+](=O)[O-]" . "Fc1ccc(cc1)c1nc([nH]c1c1ccncc1)c1ccc(cc1)[N+](=O)[O-]" . "BGIYKDUASORTBB-UHFFFAOYSA-N" . "InChI=1S/C20H13FN4O2/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(8-4-15)25(26)27/h1-12H,(H,23,24)" . "CNc1ncc2c(c1)c(ncn2)Nc1cccc(c1)Br" . "CNc1ncc2c(c1)c(ncn2)Nc1cccc(c1)Br" . "KFHMLBXBRCITHF-UHFFFAOYSA-N" . "InChI=1S/C14H12BrN5/c1-16-13-6-11-12(7-17-13)18-8-19-14(11)20-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,16,17)(H,18,19,20)" . "CSc1nc(c([nH]1)c1ccc(cc1)F)c1ccnc(c1)NC(c1ccccc1)C" . "CSc1nc(c([nH]1)c1ccc(cc1)F)c1ccnc(c1)NC(c1ccccc1)C" . "VXPWQNBKEIVYIS-UHFFFAOYSA-N" . "InChI=1S/C23H21FN4S/c1-15(16-6-4-3-5-7-16)26-20-14-18(12-13-25-20)22-21(27-23(28-22)29-2)17-8-10-19(24)11-9-17/h3-15H,1-2H3,(H,25,26)(H,27,28)" . "Fc1ccc(cc1)c1c([nH]n(c1=O)c1ccc(cc1)Cl)c1ccncc1" . "Fc1ccc(cc1)c1c([nH]n(c1=O)c1ccc(cc1)Cl)c1ccncc1" . "DZFBYHUKZSRPHU-UHFFFAOYSA-N" . "InChI=1S/C20H13ClFN3O/c21-15-3-7-17(8-4-15)25-20(26)18(13-1-5-16(22)6-2-13)19(24-25)14-9-11-23-12-10-14/h1-12,24H" . "Nc1ccc2c(c1)c(NCCc1ccc(cc1)Oc1ccccc1)ncn2" . "Nc1ccc2c(c1)c(NCCc1ccc(cc1)Oc1ccccc1)ncn2" . "IBAKVEUZKHOWNG-UHFFFAOYSA-N" . "InChI=1S/C22H20N4O/c23-17-8-11-21-20(14-17)22(26-15-25-21)24-13-12-16-6-9-19(10-7-16)27-18-4-2-1-3-5-18/h1-11,14-15H,12-13,23H2,(H,24,25,26)" . "FC(c1ccc(cc1)C=Cc1occ(n1)COc1ccc(cc1)CCCCn1nncc1)(F)F" . "FC(c1ccc(cc1)/C=C/c1occ(n1)COc1ccc(cc1)CCCCn1nncc1)(F)F" . "ZTFBIUXIQYRUNT-MDWZMJQESA-N" . "InChI=1S/C25H23F3N4O2/c26-25(27,28)21-9-4-20(5-10-21)8-13-24-30-22(18-34-24)17-33-23-11-6-19(7-12-23)3-1-2-15-32-16-14-29-31-32/h4-14,16,18H,1-3,15,17H2/b13-8+" . "Fc1ccc(cc1)Nc1[nH]nc2c1c(N)ncn2" . "Fc1ccc(cc1)Nc1[nH]nc2c1c(N)ncn2" . "UQPMANVRZYYQMD-UHFFFAOYSA-N" . "InChI=1S/C11H9FN6/c12-6-1-3-7(4-2-6)16-11-8-9(13)14-5-15-10(8)17-18-11/h1-5H,(H4,13,14,15,16,17,18)" . "O=C(Nc1ccc(cc1)O)CCCc1ccc(cc1)c1ccccc1F" . "O=C(Nc1ccc(cc1)O)CCCc1ccc(cc1)c1ccccc1F" . "ODYAQBDIXCVKAE-UHFFFAOYSA-N" . "InChI=1S/C22H20FNO2/c23-21-6-2-1-5-20(21)17-10-8-16(9-11-17)4-3-7-22(26)24-18-12-14-19(25)15-13-18/h1-2,5-6,8-15,25H,3-4,7H2,(H,24,26)" . "N#CC(=C(Sc1ccc(cc1)N)N)c1ccccc1C(F)(F)F" . "N#C/C(=C(/Sc1ccc(cc1)N)/N)/c1ccccc1C(F)(F)F" . "JLOXTZFYJNCPIS-FYWRMAATSA-N" . "InChI=1S/C16H12F3N3S/c17-16(18,19)14-4-2-1-3-12(14)13(9-20)15(22)23-11-7-5-10(21)6-8-11/h1-8H,21-22H2/b15-13+" . "O=C1CCC(=O)N1C1=C(Cl)C(=O)c2c(C1=O)cccc2" . "O=C1CCC(=O)N1C1=C(Cl)C(=O)c2c(C1=O)cccc2" . "GYQSWJNGTWVFOL-UHFFFAOYSA-N" . "InChI=1S/C14H8ClNO4/c15-11-12(16-9(17)5-6-10(16)18)14(20)8-4-2-1-3-7(8)13(11)19/h1-4H,5-6H2" . "N#CC(=C(Sc1ccccc1N)N)c1cccc(c1)C(c1ccncc1)O" . "N#C/C(=C(/Sc1ccccc1N)/N)/c1cccc(c1)C(c1ccncc1)O" . "NHBMKTBZZSJUGA-HEHNFIMWSA-N" . "InChI=1S/C21H18N4OS/c22-13-17(21(24)27-19-7-2-1-6-18(19)23)15-4-3-5-16(12-15)20(26)14-8-10-25-11-9-14/h1-12,20,26H,23-24H2/b21-17+" . "O=c1cc(oc2c1cccc2c1ccccc1)N1CCNCC1" . "O=c1cc(oc2c1cccc2c1ccccc1)N1CCNCC1" . "NGAGMBNBKCDCDJ-UHFFFAOYSA-N" . "InChI=1S/C19H18N2O2/c22-17-13-18(21-11-9-20-10-12-21)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13,20H,9-12H2" . "O=c1cc(oc2c1cccc2c1ccccc1)N1CCOCC1" . "O=c1cc(oc2c1cccc2c1ccccc1)N1CCOCC1" . "CZQHHVNHHHRRDU-UHFFFAOYSA-N" . "InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2" . "Nc1ncnc2c1c(cn2C1CCCC1)c1ccc(cc1)Oc1ccccc1" . "Nc1ncnc2c1c(cn2C1CCCC1)c1ccc(cc1)Oc1ccccc1" . "FMETVQKSDIOGPX-UHFFFAOYSA-N" . "InChI=1S/C23H22N4O/c24-22-21-20(14-27(17-6-4-5-7-17)23(21)26-15-25-22)16-10-12-19(13-11-16)28-18-8-2-1-3-9-18/h1-3,8-15,17H,4-7H2,(H2,24,25,26)" . "OCCN(S(=O)(=O)c1ccc(cc1)OC)c1ccccc1CN(CC=Cc1ccc(cc1)Cl)C" . "OCCN(S(=O)(=O)c1ccc(cc1)OC)c1ccccc1CN(C/C=C/c1ccc(cc1)Cl)C" . "LLLQTDSSHZREGW-AATRIKPKSA-N" . "InChI=1S/C26H29ClN2O4S/c1-28(17-5-6-21-9-11-23(27)12-10-21)20-22-7-3-4-8-26(22)29(18-19-30)34(31,32)25-15-13-24(33-2)14-16-25/h3-16,30H,17-20H2,1-2H3/b6-5+" . "O=C(C(N(S(=O)(=O)c1cccc2c1ccnc2)C)Cc1ccc(cc1)OOSOc1cccc2c1ccnc2)N1CCN(CC1)c1ccccc1" . "O=C(C(N(S(=O)(=O)c1cccc2c1ccnc2)C)Cc1ccc(cc1)OOSOc1cccc2c1ccnc2)N1CCN(CC1)c1ccccc1" . "BLLBARDQJSOSJD-UHFFFAOYSA-N" . "InChI=1S/C38H35N5O6S2/c1-41(51(45,46)37-12-6-8-30-27-40-20-18-34(30)37)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)47-49-50-48-36-11-5-7-29-26-39-19-17-33(29)36/h2-20,26-27,35H,21-25H2,1H3" . "CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(c1C#N)N" . "CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(c1C#N)N" . "KQMPRSZTUSSXND-UHFFFAOYSA-N" . "InChI=1S/C18H20N4O4/c1-4-26-18-13(10-19)14(20)9-16(22-18)21-17(23)8-11-7-12(24-2)5-6-15(11)25-3/h5-7,9H,4,8H2,1-3H3,(H3,20,21,22,23)" . "N#CC(=c1sc2c([nH]1)cccc2)c1ccnc(n1)NCCc1cccnc1" . "N#C/C(=c/1/sc2c([nH]1)cccc2)/c1ccnc(n1)NCCc1cccnc1" . "AVLYNJZZQYEFEA-XDJHFCHBSA-N" . "InChI=1S/C20H16N6S/c21-12-15(19-25-17-5-1-2-6-18(17)27-19)16-8-11-24-20(26-16)23-10-7-14-4-3-9-22-13-14/h1-6,8-9,11,13,25H,7,10H2,(H,23,24,26)/b19-15+" . "N#Cc1c(sc2c1CCCC2)NC(=O)c1cccc2c1cccc2" . "N#Cc1c(sc2c1CCCC2)NC(=O)c1cccc2c1cccc2" . "WQGDQGAFSDMBLA-UHFFFAOYSA-N" . "InChI=1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23)" . "O=C1Nc2c(/C/1=C/c1ccc[nH]1)cc(cc2)c1cccnc1" . "O=C1Nc2c(/C/1=C/c1ccc[nH]1)cc(cc2)c1cccnc1" . "IQNTXIMXKCURDC-YBEGLDIGSA-N" . "InChI=1S/C18H13N3O/c22-18-16(10-14-4-2-8-20-14)15-9-12(5-6-17(15)21-18)13-3-1-7-19-11-13/h1-11,20H,(H,21,22)/b16-10-" . "CC(N(Cc1ccccc1)CCC(=O)c1ccc2c(c1)cccc2)C" . "CC(N(Cc1ccccc1)CCC(=O)c1ccc2c(c1)cccc2)C" . "JSASWRWALCMOQP-UHFFFAOYSA-N" . "InChI=1S/C23H25NO/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h3-13,16,18H,14-15,17H2,1-2H3" . "COc1cc2c(ncnc2cc1OC)Nc1ccc(c(c1)Br)O" . "COc1cc2c(ncnc2cc1OC)Nc1ccc(c(c1)Br)O" . "CBIAKDAYHRWZCU-UHFFFAOYSA-N" . "InChI=1S/C16H14BrN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-9-3-4-13(21)11(17)5-9/h3-8,21H,1-2H3,(H,18,19,20)" . "Fc1ccc2c(c1)c1c(=O)[nH]ccc1c1c2[nH]c(n1)C(C)(C)C" . "Fc1ccc2c(c1)c1c(=O)[nH]ccc1c1c2[nH]c(n1)C(C)(C)C" . "VNDWQCSOSCCWIP-UHFFFAOYSA-N" . "InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)" . "O=c1[nH]c(=O)c2c1c1c3ccccc3[nH]c1n1c2cnc1" . "O=c1[nH]c(=O)c2c1c1c3ccccc3[nH]c1n1c2cnc1" . "WXUJAQBSBZLVEV-UHFFFAOYSA-N" . "InChI=1S/C15H8N4O2/c20-14-11-9-5-16-6-19(9)13-10(12(11)15(21)18-14)7-3-1-2-4-8(7)17-13/h1-6,17H,(H,18,20,21)" . "O=C(c1cccc(c1)[N+](=O)[O-])Nc1nc2c(n1CCN1CCOCC1)cccc2" . "O=C(c1cccc(c1)[N+](=O)[O-])Nc1nc2c(n1CCN1CCOCC1)cccc2" . "QTCFYQHZJIIHBS-UHFFFAOYSA-N" . "InChI=1S/C20H21N5O4/c26-19(15-4-3-5-16(14-15)25(27)28)22-20-21-17-6-1-2-7-18(17)24(20)9-8-23-10-12-29-13-11-23/h1-7,14H,8-13H2,(H,21,22,26)" . "ONc1c([nH]c2c1cccc2)C1=c2ccccc2=NC1=O" . "ONc1c([nH]c2c1cccc2)C1=c2ccccc2=NC1=O" . "LDEWQRSYYHTQRA-UHFFFAOYSA-N" . "InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,19,21H" . "OCC(CCONc1c2ccccc2[nH]c1C1=c2ccccc2=NC1=O)O" . "OCC(CCONc1c2ccccc2[nH]c1C1=c2ccccc2=NC1=O)O" . "CKLAPOFDFZKCPB-UHFFFAOYSA-N" . "InChI=1S/C20H19N3O4/c24-11-12(25)9-10-27-23-18-14-6-2-4-8-16(14)21-19(18)17-13-5-1-3-7-15(13)22-20(17)26/h1-8,12,21,23-25H,9-11H2" . "NC(=O)Nc1sc(cc1C(=O)N)c1ccc(cc1)F" . "NC(=O)Nc1sc(cc1C(=O)N)c1ccc(cc1)F" . "SAYGKHKXGCPTLX-UHFFFAOYSA-N" . "InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)" . "COc1cc(OC)cc(c1C=C1C(=O)Nc2c1cccc2)OC" . "COc1cc(OC)cc(c1C=C1C(=O)Nc2c1cccc2)OC" . "JBJYTZXCZDNOJW-UHFFFAOYSA-N" . "InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)" . "COC1C(C)C=C(C)C(OC(=O)N)C(OC)C=CC=C(C(=O)NC2=CC(=O)C=C(C(C(CC1OC)C)OC)C2=O)C" . "COC1[C@@H](C)/C=C(/C)/[C@H](OC(=O)N)C(OC)/C=C/C=C(/C(=O)NC2=CC(=O)C=C([C@@H]([C@H](C[C@@H]1OC)C)OC)C2=O)/C" . "MCAHMSDENAOJFZ-NDSMKMDISA-N" . "InChI=1S/C30H42N2O9/c1-16-10-9-11-23(37-5)28(41-30(31)36)18(3)12-17(2)27(40-8)24(38-6)13-19(4)26(39-7)21-14-20(33)15-22(25(21)34)32-29(16)35/h9-12,14-15,17,19,23-24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b11-9-,16-10+,18-12+/t17-,19-,23?,24-,26+,27?,28-/m0/s1" . "Brc1ccc(cc1)C=CCNCCNS(=O)(=O)c1cccc2c1ccnc2" . "Brc1ccc(cc1)/C=C/CNCCNS(=O)(=O)c1cccc2c1ccnc2" . "ZKZXNDJNWUTGDK-NSCUHMNNSA-N" . "InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+" . "c1ccc(cc1)c1n[nH]c2c1oc1c2cccc1" . "c1ccc(cc1)c1n[nH]c2c1oc1c2cccc1" . "DZQLVVLATXPWBK-UHFFFAOYSA-N" . "InChI=1S/C15H10N2O/c1-2-6-10(7-3-1)13-15-14(17-16-13)11-8-4-5-9-12(11)18-15/h1-9H,(H,16,17)" . "OCCCn1cc(c2c1nccc2)C1=C(C(=O)NC1=O)c1cnccn1" . "OCCCn1cc(c2c1nccc2)C1=C(C(=O)NC1=O)c1cnccn1" . "ZDEJZKULWCZIHL-UHFFFAOYSA-N" . "InChI=1S/C18H15N5O3/c24-8-2-7-23-10-12(11-3-1-4-21-16(11)23)14-15(18(26)22-17(14)25)13-9-19-5-6-20-13/h1,3-6,9-10,24H,2,7-8H2,(H,22,25,26)" . "Oc1cccc(c1)Oc1ncnc2c1cc([nH]2)c1cccc(c1)N" . "Oc1cccc(c1)Oc1ncnc2c1cc([nH]2)c1cccc(c1)N" . "VPVLEBIVXZSOMQ-UHFFFAOYSA-N" . "InChI=1S/C18H14N4O2/c19-12-4-1-3-11(7-12)16-9-15-17(22-16)20-10-21-18(15)24-14-6-2-5-13(23)8-14/h1-10,23H,19H2,(H,20,21,22)" . "COc1ccc(cc1)CNC(=O)Nc1ncc(s1)[N+](=O)[O-]" . "COc1ccc(cc1)CNC(=O)Nc1ncc(s1)[N+](=O)[O-]" . "YAEMHJKFIIIULI-UHFFFAOYSA-N" . "InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)" . "Ic1cccc(c1)CSc1nnc(o1)c1ccncc1" . "Ic1cccc(c1)CSc1nnc(o1)c1ccncc1" . "ZRHRPGSSSVYBRG-UHFFFAOYSA-N" . "InChI=1S/C14H10IN3OS/c15-12-3-1-2-10(8-12)9-20-14-18-17-13(19-14)11-4-6-16-7-5-11/h1-8H,9H2" . "O=c1sn(c(=O)n1Cc1ccccc1)C" . "O=c1sn(c(=O)n1Cc1ccccc1)C" . "JDSJDASOXWCHPN-UHFFFAOYSA-N" . "InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3" . "Cc1[nH]nc(c1)Nc1nc(nc2c1cccc2)c1ccccc1" . "Cc1[nH]nc(c1)Nc1nc(nc2c1cccc2)c1ccccc1" . "JYCUVOXSZBECAY-UHFFFAOYSA-N" . "InChI=1S/C18H15N5/c1-12-11-16(23-22-12)20-18-14-9-5-6-10-15(14)19-17(21-18)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23)" . "CC(=O)ONC1=c2ccccc2=NC1=C1C(=O)Nc2c1ccc(c2)Br" . "CC(=O)ONC1=c2ccccc2=N/C/1=C/1/C(=O)Nc2c1ccc(c2)Br" . "ORWSYHWTBSHFIV-ICFOKQHNSA-N" . "InChI=1S/C18H12BrN3O3/c1-9(23)25-22-16-12-4-2-3-5-13(12)20-17(16)15-11-7-6-10(19)8-14(11)21-18(15)24/h2-8,22H,1H3,(H,21,24)/b17-15-" . "ONC1=c2ccccc2=NC1=C1C(=O)Nc2c1ccc(c2)Br" . "ONC1=c2ccccc2=N/C/1=C/1/C(=O)Nc2c1ccc(c2)Br" . "WNWSUJQVZJJGLF-SQFISAMPSA-N" . "InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,20,22H,(H,19,21)/b15-13-" . "N#CCCn1c2ccccc2c2c1c1c(c3c2CNC3=O)c2c(n1C)cccc2" . "N#CCCn1c2ccccc2c2c1c1c(c3c2CNC3=O)c2c(n1C)cccc2" . "VWVYILCFSYNJHF-UHFFFAOYSA-N" . "InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29)" . "c1ccc(cc1)c1cnc(s1)Nc1ccc(cc1)OCCN1CCCC1" . "c1ccc(cc1)c1cnc(s1)Nc1ccc(cc1)OCCN1CCCC1" . "FNZTULJDGIXMJJ-UHFFFAOYSA-N" . "InChI=1S/C21H23N3OS/c1-2-6-17(7-3-1)20-16-22-21(26-20)23-18-8-10-19(11-9-18)25-15-14-24-12-4-5-13-24/h1-3,6-11,16H,4-5,12-15H2,(H,22,23)" . "Oc1ccc2c(c1)cc([nH]2)C(=O)c1cc2c([nH]1)ccc(c2)O" . "Oc1ccc2c(c1)cc([nH]2)C(=O)c1cc2c([nH]1)ccc(c2)O" . "NIMIWWQLOGNYHD-UHFFFAOYSA-N" . "InChI=1S/C17H12N2O3/c20-11-1-3-13-9(5-11)7-15(18-13)17(22)16-8-10-6-12(21)2-4-14(10)19-16/h1-8,18-21H" . "COc1cc(ccc1OC)C(=O)Nc1sc2c(c1C(=O)N)CCCC2" . "COc1cc(ccc1OC)C(=O)Nc1sc2c(c1C(=O)N)CCCC2" . "FSPQCTGGIANIJZ-UHFFFAOYSA-N" . "InChI=1S/C18H20N2O4S/c1-23-12-8-7-10(9-13(12)24-2)17(22)20-18-15(16(19)21)11-5-3-4-6-14(11)25-18/h7-9H,3-6H2,1-2H3,(H2,19,21)(H,20,22)" . "O=C1c2c3[nH]c4c(c3cc[n+]2c2c1cccc2)cccc4" . "O=C1c2c3[nH]c4c(c3cc[n+]2c2c1cccc2)cccc4" . "WYQIPCUPNMRAKP-UHFFFAOYSA-O" . "InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1" . "[O-][N+](=O)NC(=NN=Cc1ccc(o1)c1cccc(c1)[N+](=O)[O-])N" . "[O-][N+](=O)N/C(=N/N=C/c1ccc(o1)c1cccc(c1)[N+](=O)[O-])/N" . "RODAAYVFYDKHGT-AUWJEWJLSA-N" . "InChI=1S/C12H10N6O5/c13-12(16-18(21)22)15-14-7-10-4-5-11(23-10)8-2-1-3-9(6-8)17(19)20/h1-7H,(H3,13,15,16)/b14-7-" . "O=c1[nH][nH]c2c1cc(nn2)c1c(nn2c1cccc2)c1ccccc1" . "O=c1[nH][nH]c2c1cc(nn2)c1c(nn2c1cccc2)c1ccccc1" . "QMBDONCHHMIWFJ-UHFFFAOYSA-N" . "InChI=1S/C18H12N6O/c25-18-12-10-13(19-20-17(12)21-22-18)15-14-8-4-5-9-24(14)23-16(15)11-6-2-1-3-7-11/h1-10H,(H2,20,21,22,25)" . "OC(=O)c1ccc(cc1)C(C(=O)O)(N)C" . "OC(=O)c1ccc(cc1)[C@@](C(=O)O)(N)C" . "DNCAZYRLRMTVSF-JTQLQIEISA-N" . "InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1" . "Nc1[nH]nc2c1cc(nn2)c1c(nn2c1cccc2)c1ccccc1" . "Nc1[nH]nc2c1cc(nn2)c1c(nn2c1cccc2)c1ccccc1" . "XVECMUKVOMUNLE-UHFFFAOYSA-N" . "InChI=1S/C18H13N7/c19-17-12-10-13(20-22-18(12)23-21-17)15-14-8-4-5-9-25(14)24-16(15)11-6-2-1-3-7-11/h1-10H,(H3,19,21,22,23)" . "CC#CC(=O)Nc1ncc2c(c1)c(ncn2)Nc1ccc(c(c1)Cl)F" . "CC#CC(=O)Nc1ncc2c(c1)c(ncn2)Nc1ccc(c(c1)Cl)F" . "DLPSDPPZXRJQOY-UHFFFAOYSA-N" . "InChI=1S/C17H11ClFN5O/c1-2-3-16(25)24-15-7-11-14(8-20-15)21-9-22-17(11)23-10-4-5-13(19)12(18)6-10/h4-9H,1H3,(H,20,24,25)(H,21,22,23)" . "COc1cc2c(ncnc2cc1OC)Nc1ccc(cc1)OCc1ccccc1" . "COc1cc2c(ncnc2cc1OC)Nc1ccc(cc1)OCc1ccccc1" . "DNOKYISWMVFYFA-UHFFFAOYSA-N" . "InChI=1S/C23H21N3O3/c1-27-21-12-19-20(13-22(21)28-2)24-15-25-23(19)26-17-8-10-18(11-9-17)29-14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,24,25,26)" . "O=C(C1CC1)Nc1cccc(c1)Nc1ncnc(c1)Nc1cccc(c1)C(F)(F)F" . "O=C(C1CC1)Nc1cccc(c1)Nc1ncnc(c1)Nc1cccc(c1)C(F)(F)F" . "YOHYSYJDKVYCJI-UHFFFAOYSA-N" . "InChI=1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(9-14)27-18-11-19(26-12-25-18)28-16-5-2-6-17(10-16)29-20(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,29,30)(H2,25,26,27,28)" . "CN1CCN(CC1)c1ccc2c(c1)[nH]c(=C1C(=O)N=c3c(=C1N)c(F)ccc3)[nH]2" . "CN1CCN(CC1)c1ccc2c(c1)[nH]/c(=C/1/C(=O)N=c3c(=C1N)c(F)ccc3)/[nH]2" . "KCOYQXZDFIIGCY-ZZEZOPTASA-N" . "InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11,24-25H,7-10,23H2,1H3/b20-18-" . "O=C1Nc2c(C1=Cc1ccc(cc1)N(C)C)cccc2" . "O=C1Nc2c(/C/1=C/c1ccc(cc1)N(C)C)cccc2" . "UAKWLVYMKBWHMX-RVDMUPIBSA-N" . "InChI=1S/C17H16N2O/c1-19(2)13-9-7-12(8-10-13)11-15-14-5-3-4-6-16(14)18-17(15)20/h3-11H,1-2H3,(H,18,20)/b15-11+" . "Fc1ccc(cc1)C(=C1CCN(CC1)CCn1c(=S)[nH]c2c(c1=O)cccc2)c1ccc(cc1)F" . "Fc1ccc(cc1)C(=C1CCN(CC1)CCn1c(=S)[nH]c2c(c1=O)cccc2)c1ccc(cc1)F" . "ZCNBZFRECRPCKU-UHFFFAOYSA-N" . "InChI=1S/C28H25F2N3OS/c29-22-9-5-19(6-10-22)26(20-7-11-23(30)12-8-20)21-13-15-32(16-14-21)17-18-33-27(34)24-3-1-2-4-25(24)31-28(33)35/h1-12H,13-18H2,(H,31,35)" . "CCOc1cc2c(ncnc2cc1OCC)Nc1cccc(c1)Br" . "CCOc1cc2c(ncnc2cc1OCC)Nc1cccc(c1)Br" . "YXOXHAUUTIOBDA-UHFFFAOYSA-N" . "InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)" . "OCCNc1nc(Nc2cccc(c2)Cl)c2c(n1)n(cn2)C(C)C" . "OCCNc1nc(Nc2cccc(c2)Cl)c2c(n1)n(cn2)C(C)C" . "XZEFMZCNXDQXOZ-UHFFFAOYSA-N" . "InChI=1S/C16H19ClN6O/c1-10(2)23-9-19-13-14(20-12-5-3-4-11(17)8-12)21-16(18-6-7-24)22-15(13)23/h3-5,8-10,24H,6-7H2,1-2H3,(H2,18,20,21,22)" . "Clc1ccc(cc1)Oc1ccc(cc1)c1nc2c([nH]1)cc(cc2)C(=O)N" . "Clc1ccc(cc1)Oc1ccc(cc1)c1nc2c([nH]1)cc(cc2)C(=O)N" . "UXGJAOIJSROTTN-UHFFFAOYSA-N" . "InChI=1S/C20H14ClN3O2/c21-14-4-8-16(9-5-14)26-15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)" . "COc1c(OC)ccc2c1c[n+](C)c1c2ccc2c1cc1OCOc1c2" . "COc1c(OC)ccc2c1c[n+](C)c1c2ccc2c1cc1OCOc1c2" . "LLEJIEBFSOEYIV-UHFFFAOYSA-N" . "InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1" . "Cc1ccc(cc1)NC1=CC(=O)c2c(C1=O)nc(s2)C" . "Cc1ccc(cc1)NC1=CC(=O)c2c(C1=O)nc(s2)C" . "HFPLHASLIOXVGS-UHFFFAOYSA-N" . "InChI=1S/C15H12N2O2S/c1-8-3-5-10(6-4-8)17-11-7-12(18)15-13(14(11)19)16-9(2)20-15/h3-7,17H,1-2H3" . "COc1ccc(c2c1[nH]c1ccccc1c2=S)OC" . "COc1ccc(c2c1[nH]c1ccccc1c2=S)OC" . "KFAKESMKRPNZTM-UHFFFAOYSA-N" . "InChI=1S/C15H13NO2S/c1-17-11-7-8-12(18-2)14-13(11)15(19)9-5-3-4-6-10(9)16-14/h3-8H,1-2H3,(H,16,19)" . "Brc1ccc2c(c1)[nH]c1c2c2c(=O)[nH]c(=O)c2c2c1[nH]c1c2cccc1" . "Brc1ccc2c(c1)[nH]c1c2c2c(=O)[nH]c(=O)c2c2c1[nH]c1c2cccc1" . "NMFKDDRQSNVETB-UHFFFAOYSA-N" . "InChI=1S/C20H10BrN3O2/c21-8-5-6-10-12(7-8)23-18-14(10)16-15(19(25)24-20(16)26)13-9-3-1-2-4-11(9)22-17(13)18/h1-7,22-23H,(H,24,25,26)" . "CCN(C(=O)c1ccc(cc1)Nc1nc(OCC2CCCCC2)c2c(n1)nc[nH]2)CC" . "CCN(C(=O)c1ccc(cc1)Nc1nc(OCC2CCCCC2)c2c(n1)nc[nH]2)CC" . "XHEQSRJCJTWWAH-UHFFFAOYSA-N" . "InChI=1S/C23H30N6O2/c1-3-29(4-2)22(30)17-10-12-18(13-11-17)26-23-27-20-19(24-15-25-20)21(28-23)31-14-16-8-6-5-7-9-16/h10-13,15-16H,3-9,14H2,1-2H3,(H2,24,25,26,27,28)" . "OCCN(c1nc(NCc2ccc(cc2)OC)c2c(n1)n(cn2)C(C)C)CCO" . "OCCN(c1nc(NCc2ccc(cc2)OC)c2c(n1)n(cn2)C(C)C)CCO" . "NQVIIUBWMBHLOZ-UHFFFAOYSA-N" . "InChI=1S/C20H28N6O3/c1-14(2)26-13-22-17-18(21-12-15-4-6-16(29-3)7-5-15)23-20(24-19(17)26)25(8-10-27)9-11-28/h4-7,13-14,27-28H,8-12H2,1-3H3,(H,21,23,24)" . "Nc1[nH]nc2c1nc1ccccc1n2" . "Nc1[nH]nc2c1nc1ccccc1n2" . "DWHVZCLBMTZRQM-UHFFFAOYSA-N" . "InChI=1S/C9H7N5/c10-8-7-9(14-13-8)12-6-4-2-1-3-5(6)11-7/h1-4H,(H3,10,12,13,14)" . "Fc1cccc(c1NC(=S)n1nc(nc1N)Nc1ccc(cc1)S(=O)(=O)N)F" . "Fc1cccc(c1NC(=S)n1nc(nc1N)Nc1ccc(cc1)S(=O)(=O)N)F" . "ARIOBGGRZJITQX-UHFFFAOYSA-N" . "InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)" . "CCn1cnc2c1nc(NC1CCCCC1N)nc2Nc1cccc(c1)Cl" . "CCn1cnc2c1nc(N[C@@H]1CCCC[C@@H]1N)nc2Nc1cccc(c1)Cl" . "UTBSBSOBZHXMHI-LSDHHAIUSA-N" . "InChI=1S/C19H24ClN7/c1-2-27-11-22-16-17(23-13-7-5-6-12(20)10-13)25-19(26-18(16)27)24-15-9-4-3-8-14(15)21/h5-7,10-11,14-15H,2-4,8-9,21H2,1H3,(H2,23,24,25,26)/t14-,15+/m0/s1" . "O=C1Nc2c(C1=Cc1c(Cl)[nH]c3c1cccc3)cccc2" . "O=C1Nc2c(/C/1=C/c1c(Cl)[nH]c3c1cccc3)cccc2" . "QJKBRWSJWQVKLY-UKTHLTGXSA-N" . "InChI=1S/C17H11ClN2O/c18-16-12(10-5-1-3-7-14(10)19-16)9-13-11-6-2-4-8-15(11)20-17(13)21/h1-9,19H,(H,20,21)/b13-9+" . "OCCOc1ccc(cc1)Cc1nc(=O)c2c(n1)n([nH]c2C(C)C)c1c(Cl)cccc1Cl" . "OCCOc1ccc(cc1)Cc1nc(=O)c2c(n1)n([nH]c2C(C)C)c1c(Cl)cccc1Cl" . "VQNCIRRXQQTXEL-UHFFFAOYSA-N" . "InChI=1S/C23H22Cl2N4O3/c1-13(2)20-19-22(29(28-20)21-16(24)4-3-5-17(21)25)26-18(27-23(19)31)12-14-6-8-15(9-7-14)32-11-10-30/h3-9,13,28,30H,10-12H2,1-2H3" . "COc1ccc2c(c1)n(CC)c(=CC(=O)C)s2" . "COc1ccc2c(c1)n(CC)/c(=C/C(=O)C)/s2" . "BGVLELSCIHASRV-QPEQYQDCSA-N" . "InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7-" . "NC(=O)c1ccc(cc1)c1nc(c([nH]1)c1ccccn1)c1ccc2c(c1)OCCO2" . "NC(=O)c1ccc(cc1)c1nc(c([nH]1)c1ccccn1)c1ccc2c(c1)OCCO2" . "DPDZHVCKYBCJHW-UHFFFAOYSA-N" . "InChI=1S/C23H18N4O3/c24-22(28)14-4-6-15(7-5-14)23-26-20(21(27-23)17-3-1-2-10-25-17)16-8-9-18-19(13-16)30-12-11-29-18/h1-10,13H,11-12H2,(H2,24,28)(H,26,27)" . "Brc1cccc(c1)Nc1ncnc2c1cc1ncn(c1c2)C" . "Brc1cccc(c1)Nc1ncnc2c1cc1ncn(c1c2)C" . "YAMAGACQNDAKFB-UHFFFAOYSA-N" . "InChI=1S/C16H12BrN5/c1-22-9-20-14-6-12-13(7-15(14)22)18-8-19-16(12)21-11-4-2-3-10(17)5-11/h2-9H,1H3,(H,18,19,21)" . "OCCCNc1nc(NCc2ccccc2)c2c(n1)n(cn2)C(C)C" . "OCCCNc1nc(NCc2ccccc2)c2c(n1)n(cn2)C(C)C" . "OPQGFIAVPSXOBO-UHFFFAOYSA-N" . "InChI=1S/C18H24N6O/c1-13(2)24-12-21-15-16(20-11-14-7-4-3-5-8-14)22-18(23-17(15)24)19-9-6-10-25/h3-5,7-8,12-13,25H,6,9-11H2,1-2H3,(H2,19,20,22,23)" . "O=C1NC(=O)C(=C1c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2" . "O=C1NC(=O)C(=C1c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2" . "DQYBRTASHMYDJG-UHFFFAOYSA-N" . "InChI=1S/C20H13N3O2/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,21-22H,(H,23,24,25)" . "COC(=O)c1ccc2c(c1)NC(=O)C2=C(c1ccccc1)Nc1ccc(cc1)N(C(=O)CN1CCN(CC1)C)C" . "COC(=O)c1ccc2c(c1)NC(=O)/C/2=C(/c1ccccc1)/Nc1ccc(cc1)N(C(=O)CN1CCN(CC1)C)C" . "XZXHXSATPCNXJR-ZIADKAODSA-N" . "InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-" . "NC(=O)c1cccc(c1)c1ncnc(c1)Nc1ccc(cc1)OC(F)(F)F" . "NC(=O)c1cccc(c1)c1ncnc(c1)Nc1ccc(cc1)OC(F)(F)F" . "WEVYNIUIFUYDGI-UHFFFAOYSA-N" . "InChI=1S/C18H13F3N4O2/c19-18(20,21)27-14-6-4-13(5-7-14)25-16-9-15(23-10-24-16)11-2-1-3-12(8-11)17(22)26/h1-10H,(H2,22,26)(H,23,24,25)" . "N#CC=CS(=O)(=O)c1ccc(cc1)C" . "N#C/C=C/S(=O)(=O)c1ccc(cc1)C" . "DOEWDSDBFRHVAP-KRXBUXKQSA-N" . "InChI=1S/C10H9NO2S/c1-9-3-5-10(6-4-9)14(12,13)8-2-7-11/h2-6,8H,1H3/b8-2+" . "Fc1cnc(nc1)C(Nc1ncc(c(n1)Nc1[nH]nc(c1)C)Cl)C" . "Fc1cnc(nc1)[C@@H](Nc1ncc(c(n1)Nc1[nH]nc(c1)C)Cl)C" . "PDOQBOJDRPLBQU-QMMMGPOBSA-N" . "InChI=1S/C14H14ClFN8/c1-7-3-11(24-23-7)21-13-10(15)6-19-14(22-13)20-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H3,19,20,21,22,23,24)/t8-/m0/s1" . "Fc1cccc(c1C(=O)n1nc(nc1N)Nc1ccc(cc1)S(=O)(=O)N)F" . "Fc1cccc(c1C(=O)n1nc(nc1N)Nc1ccc(cc1)S(=O)(=O)N)F" . "KDKUVYLMPJIGKA-UHFFFAOYSA-N" . "InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)" . "O=C(C1CC1)Nc1cccc(c1)Nc1nccc(n1)Nc1cccc(c1)C(F)(F)F" . "O=C(C1CC1)Nc1cccc(c1)Nc1nccc(n1)Nc1cccc(c1)C(F)(F)F" . "RDTDWGQDFJPTPD-UHFFFAOYSA-N" . "InChI=1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(11-14)26-18-9-10-25-20(29-18)28-17-6-2-5-16(12-17)27-19(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,27,30)(H2,25,26,28,29)" . "COc1cc2c(ncnc2cc1OC)Nc1ccc(cc1)NC(=O)c1ccccc1" . "COc1cc2c(ncnc2cc1OC)Nc1ccc(cc1)NC(=O)c1ccccc1" . "IMYVCWQAHSYYOO-UHFFFAOYSA-N" . "InChI=1S/C23H20N4O3/c1-29-20-12-18-19(13-21(20)30-2)24-14-25-22(18)26-16-8-10-17(11-9-16)27-23(28)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,27,28)(H,24,25,26)" . "S=C(NC(C(Cl)(Cl)Cl)NC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc(c(c1)[N+](=O)[O-])F" . "S=C(NC(C(Cl)(Cl)Cl)NC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc(c(c1)[N+](=O)[O-])F" . "HLCDNLNLQNYZTK-UHFFFAOYSA-N" . "InChI=1S/C23H18Cl3FN4O3S/c24-23(25,26)21(30-22(35)28-16-11-12-17(27)18(13-16)31(33)34)29-20(32)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,21H,(H,29,32)(H2,28,30,35)" . "O=c1cc(oc(c1)c1cccc2c1Sc1ccccc1S2)N1CCOCC1" . "O=c1cc(oc(c1)c1cccc2c1Sc1ccccc1S2)N1CCOCC1" . "XRKYMMUGXMWDAO-UHFFFAOYSA-N" . "InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2" . "OCC(C(C)C)Nc1nc(Nc2cc(N)cc(c2)Cl)c2c(n1)n(cn2)C(C)C" . "OC[C@@H](C(C)C)Nc1nc(Nc2cc(N)cc(c2)Cl)c2c(n1)n(cn2)C(C)C" . "RAMROQQYRRQPDL-HNNXBMFYSA-N" . "InChI=1S/C19H26ClN7O/c1-10(2)15(8-28)24-19-25-17(23-14-6-12(20)5-13(21)7-14)16-18(26-19)27(9-22-16)11(3)4/h5-7,9-11,15,28H,8,21H2,1-4H3,(H2,23,24,25,26)/t15-/m0/s1" . "N#CCCc1ccc2c(c1)c1[nH]c3c(c1CC(=O)N2)cc(cc3)[N+](=O)[O-]" . "N#CCCc1ccc2c(c1)c1[nH]c3c(c1CC(=O)N2)cc(cc3)[N+](=O)[O-]" . "UBLFSMURWWWWMH-UHFFFAOYSA-N" . "InChI=1S/C19H14N4O3/c20-7-1-2-11-3-5-17-15(8-11)19-14(10-18(24)21-17)13-9-12(23(25)26)4-6-16(13)22-19/h3-6,8-9,22H,1-2,10H2,(H,21,24)" . "O=C1Nc2ccccc2c2c(C1)c1cc(ccc1[nH]2)[N+](=O)[O-]" . "O=C1Nc2ccccc2c2c(C1)c1cc(ccc1[nH]2)[N+](=O)[O-]" . "OLUKILHGKRVDCT-UHFFFAOYSA-N" . "InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)" . "CCCCc1c(=C2C=CC(=O)C=C2)[nH]c2c1[nH]ccn2" . "CCCCc1c(=C2C=CC(=O)C=C2)[nH]c2c1[nH]ccn2" . "AYIIQABSVDIZSY-UHFFFAOYSA-N" . "InChI=1S/C16H17N3O/c1-2-3-4-13-14(11-5-7-12(20)8-6-11)19-16-15(13)17-9-10-18-16/h5-10,17H,2-4H2,1H3,(H,18,19)" . "CCCCc1c([nH]c2c1nccn2)c1ccc(cc1)OC" . "CCCCc1c([nH]c2c1nccn2)c1ccc(cc1)OC" . "WVMANZPBOBRWCB-UHFFFAOYSA-N" . "InChI=1S/C17H19N3O/c1-3-4-5-14-15(12-6-8-13(21-2)9-7-12)20-17-16(14)18-10-11-19-17/h6-11H,3-5H2,1-2H3,(H,19,20)" . "CCN(CCCCN1c2ccccc2Oc2c1cc(Cl)cc2)CC" . "CCN(CCCCN1c2ccccc2Oc2c1cc(Cl)cc2)CC" . "GYBXAGDWMCJZJK-UHFFFAOYSA-N" . "InChI=1S/C20H25ClN2O/c1-3-22(4-2)13-7-8-14-23-17-9-5-6-10-19(17)24-20-12-11-16(21)15-18(20)23/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3" . "O=c1[nH]c2c(n1C1CCN(CC1)Cc1ccc(cc1)c1nc3cc4[nH]cnc4cc3nc1c1ccccc1)cccc2" . "O=c1[nH]c2c(n1C1CCN(CC1)Cc1ccc(cc1)c1nc3cc4[nH]cnc4cc3nc1c1ccccc1)cccc2" . "BIWGYFZAEWGBAL-UHFFFAOYSA-N" . "InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)" . "OCC1OC(C(C1O)O)n1cc2c3c1ncnc3n(nc2N)C" . "OCC1OC(C(C1O)O)n1cc2c3c1ncnc3n(nc2N)C" . "HOGVTUZUJGHKPL-UHFFFAOYSA-N" . "InChI=1S/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)" . "CC[n+]1c(C=CN(c2ccccc2)C)n(c2c1cc(cc2)c1nc2c(s1)cccc2)c1ccccc1" . "CC[n+]1c(/C=C/N(c2ccccc2)C)n(c2c1cc(cc2)c1nc2c(s1)cccc2)c1ccccc1" . "OTHITMYLBRCVIT-UHFFFAOYSA-N" . "InChI=1S/C31H27N4S/c1-3-34-28-22-23(31-32-26-16-10-11-17-29(26)36-31)18-19-27(28)35(25-14-8-5-9-15-25)30(34)20-21-33(2)24-12-6-4-7-13-24/h4-22H,3H2,1-2H3/q+1" . "Cn1c(C)nc2c1cc1ncc(nc1c2)c1cccs1" . "Cn1c(C)nc2c1cc1ncc(nc1c2)c1cccs1" . "ZGDACLBJJXLKJY-UHFFFAOYSA-N" . "InChI=1S/C15H12N4S/c1-9-17-12-6-11-10(7-14(12)19(9)2)16-8-13(18-11)15-4-3-5-20-15/h3-8H,1-2H3" . "COc1ccc(cc1)C=C(C#N)C#N" . "COc1ccc(cc1)C=C(C#N)C#N" . "UOHFCPXBKJPCAD-UHFFFAOYSA-N" . "InChI=1S/C11H8N2O/c1-14-11-4-2-9(3-5-11)6-10(7-12)8-13/h2-6H,1H3" . "N#CC(=Cc1ccc(c(c1)O)O)C(=O)NCc1ccccc1" . "N#C/C(=C/c1ccc(c(c1)O)O)/C(=O)NCc1ccccc1" . "TUCIOBMMDDOEMM-RIYZIHGNSA-N" . "InChI=1S/C17H14N2O3/c18-10-14(8-13-6-7-15(20)16(21)9-13)17(22)19-11-12-4-2-1-3-5-12/h1-9,20-21H,11H2,(H,19,22)/b14-8+" . "COc1cc2nc(cnc2cc1OC)c1ccccc1" . "COc1cc2nc(cnc2cc1OC)c1ccccc1" . "QNOXYUNHIGOWNY-UHFFFAOYSA-N" . "InChI=1S/C16H14N2O2/c1-19-15-8-12-13(9-16(15)20-2)18-14(10-17-12)11-6-4-3-5-7-11/h3-10H,1-2H3" . "Cc1cc2ncc(nc2cc1C)c1ccccc1" . "Cc1cc2ncc(nc2cc1C)c1ccccc1" . "FQNCLVJEQCJWSU-UHFFFAOYSA-N" . "InChI=1S/C16H14N2/c1-11-8-14-15(9-12(11)2)18-16(10-17-14)13-6-4-3-5-7-13/h3-10H,1-2H3" . "N#CC(=Cc1ccc(cc1)O)C(=C(C#N)C#N)N" . "N#C/C(=C/c1ccc(cc1)O)/C(=C(C#N)C#N)N" . "DXVJRTIPBNBLLB-BJMVGYQFSA-N" . "InChI=1S/C13H8N4O/c14-6-10(13(17)11(7-15)8-16)5-9-1-3-12(18)4-2-9/h1-5,18H,17H2/b10-5+" . "N#CC(=Cc1cc(Br)c(c(c1)C(C)(C)C)O)C#N" . "N#CC(=Cc1cc(Br)c(c(c1)C(C)(C)C)O)C#N" . "ABBADGFSRBWENF-UHFFFAOYSA-N" . "InChI=1S/C14H13BrN2O/c1-14(2,3)11-5-9(4-10(7-16)8-17)6-12(15)13(11)18/h4-6,18H,1-3H3" . "CSc1nc(N)c2c(n1)n(cn2)C1OC(C(C1O)O)COP(=O)(OP(=O)(O)O)[BH3-]" . "CSc1nc(N)c2c(n1)n(cn2)C1O[C@@H]([C@@H]([C@@H]1O)O)CO[P@@](=O)(OP(=O)(O)O)[BH3-]" . "NYMPKIXFMTVLTJ-CHJYMILRSA-N" . "InChI=1S/C11H19BN5O9P2S/c1-29-11-15-8(13)5-9(16-11)17(3-14-5)10-7(19)6(18)4(25-10)2-24-27(12,20)26-28(21,22)23/h3-4,6-7,10,18-19H,2H2,1,12H3,(H2,13,15,16)(H2,21,22,23)/q-1/t4-,6+,7+,10?,27-/m1/s1" . "COC1CN(C(=O)NC1=O)C1OC(C(C1O)O)COP(=O)(OP(=O)(O)O)[BH3-]" . "COC1CN(C(=O)NC1=O)C1O[C@@H]([C@@H]([C@@H]1O)O)CO[P@@](=O)(OP(=O)(O)O)[BH3-]" . "YXHXVAMQDBFYRD-ANTPIODHSA-N" . "InChI=1S/C10H20BN2O12P2/c1-22-4-2-13(10(17)12-8(4)16)9-7(15)6(14)5(24-9)3-23-26(11,18)25-27(19,20)21/h4-7,9,14-15H,2-3H2,1,11H3,(H,12,16,17)(H2,19,20,21)/q-1/t4?,5-,6+,7+,9?,26-/m1/s1" . "OC1C(COP(=O)(C(P(=O)(O)O)(F)F)O)OC(C1O)n1ccc(=O)[nH]c1=O" . "O[C@H]1[C@@H](COP(=O)(C(P(=O)(O)O)(F)F)O)O[C@H]([C@H]1O)n1ccc(=O)[nH]c1=O" . "JKJYHYKRGKKASI-YDKYIBAVSA-N" . "InChI=1S/C10H14F2N2O11P2/c11-10(12,26(19,20)21)27(22,23)24-3-4-6(16)7(17)8(25-4)14-2-1-5(15)13-9(14)18/h1-2,4,6-8,16-17H,3H2,(H,22,23)(H,13,15,18)(H2,19,20,21)/t4-,6+,7+,8-/m1/s1" . "OC1C(COP(=O)(CCP(=O)(O)O)O)OC(C1O)n1ccc(=O)[nH]c1=S" . "O[C@H]1[C@@H](COP(=O)(CCP(=O)(O)O)O)O[C@H]([C@H]1O)n1ccc(=O)[nH]c1=S" . "RCFKBLDZKDFBNO-DOWZNPNQSA-N" . "InChI=1S/C11H18N2O10P2S/c14-7-1-2-13(11(26)12-7)10-9(16)8(15)6(23-10)5-22-25(20,21)4-3-24(17,18)19/h1-2,6,8-10,15-16H,3-5H2,(H,20,21)(H,12,14,26)(H2,17,18,19)/t6-,8+,9+,10-/m1/s1" . "Cc1ccc2c(c1)C=Cc1c(C2c2cn(Cc3ccc(o3)C(=O)Nc3nnn[nH]3)c(=O)[nH]c2=S)ccc(c1)C" . "Cc1ccc2c(c1)C=Cc1c(C2c2cn(Cc3ccc(o3)C(=O)Nc3nnn[nH]3)c(=O)[nH]c2=S)ccc(c1)C" . "PVKNPGQAFNALOI-UHFFFAOYSA-N" . "InChI=1S/C28H23N7O3S/c1-15-3-8-20-17(11-15)5-6-18-12-16(2)4-9-21(18)24(20)22-14-35(28(37)30-26(22)39)13-19-7-10-23(38-19)25(36)29-27-31-33-34-32-27/h3-12,14,24H,13H2,1-2H3,(H,30,37,39)(H2,29,31,32,33,34,36)" . "CCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1" . "CCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1" . "PFSWASUQURIOOR-UHFFFAOYSA-N" . "InChI=1S/C12H21N3O2/c1-2-3-4-5-6-7-8-13-10-9-11(16)15-12(17)14-10/h9H,2-8H2,1H3,(H3,13,14,15,16,17)" . "CC(=O)OCCCNC1CCCc2c1c(O)no2" . "CC(=O)OCCCNC1CCCc2c1c(O)no2" . "BQHOBAROVZNICB-UHFFFAOYSA-N" . "InChI=1S/C12H18N2O4/c1-8(15)17-7-3-6-13-9-4-2-5-10-11(9)12(16)14-18-10/h9,13H,2-7H2,1H3,(H,14,16)" . "CCCCOC(=O)N1CCN(CC1)C(=O)CNC(=O)c1nn(c(c1)OCC(=O)N1CCCC1C(=O)NC1CCC1)c1ccccc1" . "CCCCOC(=O)N1CCN(CC1)C(=O)CNC(=O)c1nn(c(c1)OCC(=O)N1CCC[C@H]1C(=O)NC1CCC1)c1ccccc1" . "QCKRRHRHLONWIP-SANMLTNESA-N" . "InChI=1S/C32H43N7O7/c1-2-3-19-45-32(44)37-17-15-36(16-18-37)27(40)21-33-30(42)25-20-29(39(35-25)24-11-5-4-6-12-24)46-22-28(41)38-14-8-13-26(38)31(43)34-23-9-7-10-23/h4-6,11-12,20,23,26H,2-3,7-10,13-19,21-22H2,1H3,(H,33,42)(H,34,43)/t26-/m0/s1" . "CCOC(=O)N1CCN(CC1)C(=O)C(NC(=O)c1cc(n(n1)c1ccccc1)OC1(CCC1)C(=O)OCC)CCC(=O)O" . "CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1cc(n(n1)c1ccccc1)OC1(CCC1)C(=O)OCC)CCC(=O)O" . "HPSHQEAEJMOGDO-NRFANRHFSA-N" . "InChI=1S/C29H37N5O9/c1-3-41-27(39)29(13-8-14-29)43-23-19-22(31-34(23)20-9-6-5-7-10-20)25(37)30-21(11-12-24(35)36)26(38)32-15-17-33(18-16-32)28(40)42-4-2/h5-7,9-10,19,21H,3-4,8,11-18H2,1-2H3,(H,30,37)(H,35,36)/t21-/m0/s1" . "[Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na]" . "[Na]OS(=O)(=O)c1cc(ccc1Nc1ccccc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O[Na]" . "QBLLYXXXOJUNCV-UHFFFAOYSA-L" . "InChI=1S/C26H19N3O8S2.2Na/c27-24-21(39(35,36)37)13-19(22-23(24)26(31)17-9-5-4-8-16(17)25(22)30)29-15-10-11-18(20(12-15)38(32,33)34)28-14-6-2-1-3-7-14;;/h1-13,28-29H,27H2,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2" . "CON=c1ccn(c(=O)[nH]1)C1OC(C(C1O)O)COP(=O)(OP(=O)(OP(=O)(OCC1OC(C(C1O)O)n1ccc(=O)[nH]c1=O)O)O)O" . "CO/N=c/1/ccn(c(=O)[nH]1)[C@@H]1O[C@@H]([C@@H]([C@@H]1O)O)COP(=O)(OP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@H]([C@H]1O)O)n1ccc(=O)[nH]c1=O)O)O)O" . "SIKKMGJHOOQSAP-AOUMTEFLSA-N" . "InChI=1S/C19H28N5O20P3/c1-38-22-10-2-4-23(18(30)20-10)16-14(28)12(26)8(41-16)6-39-45(32,33)43-47(36,37)44-46(34,35)40-7-9-13(27)15(29)17(42-9)24-5-3-11(25)21-19(24)31/h2-5,8-9,12-17,26-29H,6-7H2,1H3,(H,32,33)(H,34,35)(H,36,37)(H,20,22,30)(H,21,25,31)/t8-,9-,12+,13+,14+,15+,16-,17-/m1/s1" . "OC1C(COP(=O)(OP(=O)(C(P(=O)(O)O)(F)F)O)O)OC(C1O)n1ccc(=S)[nH]c1=O" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(C(P(=O)(O)O)(F)F)O)O)O[C@H]([C@@H]1O)n1ccc(=S)[nH]c1=O" . "DFGBPSGNGNHNQM-XVFCMESISA-N" . "InChI=1S/C10H15F2N2O13P3S/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-3-4-6(15)7(16)8(26-4)14-2-1-5(31)13-9(14)17/h1-2,4,6-8,15-16H,3H2,(H,21,22)(H,23,24)(H,13,17,31)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1" . "CC(c1ccccc1Oc1ncccc1Nc1nnc(s1)c1ccc(cc1)C(F)(F)F)(C)C" . "CC(c1ccccc1Oc1ncccc1Nc1nnc(s1)c1ccc(cc1)C(F)(F)F)(C)C" . "ROIKEXLVELZTIZ-UHFFFAOYSA-N" . "InChI=1S/C24H21F3N4OS/c1-23(2,3)17-7-4-5-9-19(17)32-20-18(8-6-14-28-20)29-22-31-30-21(33-22)15-10-12-16(13-11-15)24(25,26)27/h4-14H,1-3H3,(H,29,31)" . "CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)Cl)C(=O)COC(=O)CC" . "CCC(=O)O[C@@]1([C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)Cl)C(=O)COC(=O)CC" . "KUVIULQEHSCUHY-XYWKZLDCSA-N" . "InChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1" . "COc1cc(O)c2c(c1)oc(=O)c1c2oc2c1cc(c(c2)O)O" . "COc1cc(O)c2c(c1)oc(=O)c1c2oc2c1cc(c(c2)O)O" . "XQDCKJKKMFWXGB-UHFFFAOYSA-N" . "InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3" . "CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(cn2)c1ccc(cc1)Cl)F" . "CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(cn2)c1ccc(cc1)Cl)F" . "GPXBXXGIAQBQNI-UHFFFAOYSA-N" . "InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)" . "COC1CC(CCC1OC(=O)C(CO)(CO)C)CC(C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(CCC2C)CC(OC)C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)C1)C)C)O)OC)C)C)C)C" . "CO[C@@H]1C[C@@H](CC[C@H]1OC(=O)C(CO)(CO)C)C[C@H]([C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H](CC[C@H]2C)C[C@H](OC)/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C1)C)/C)O)OC)C)C)/C)C" . "CBPNZQVSJQDFBE-FUXHJELOSA-N" . "InChI=1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,38-26+/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1" . "CNC(=O)c1nccc(c1)Oc1ccc(c(c1)F)NC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl" . "CNC(=O)c1nccc(c1)Oc1ccc(c(c1)F)NC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl" . "FNHKPVJBJVTLMP-UHFFFAOYSA-N" . "InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)" . "CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)C#Cc1cnc2n1nccc2)C" . "CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)C#Cc1cnc2n1nccc2)C" . "PHXJVRSECIGDHY-UHFFFAOYSA-N" . "InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)" . "OCCOC1CCC(CC1OC)CC(C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(CCC2C)CC(OC)C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)C1)C)C)O)OC)C)C)C)C" . "OCCO[C@@H]1CC[C@H](C[C@H]1OC)C[C@H]([C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H](CC[C@H]2C)C[C@H](OC)/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C1)C)/C)O)OC)C)C)/C)C" . "HKVAMNSJSFKALM-GKUWKFKPSA-N" . "InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1" . "COc1cc2c(ccnc2cc1OC)Oc1ccc(cc1)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F" . "COc1cc2c(ccnc2cc1OC)Oc1ccc(cc1)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F" . "ONIQOQHATWINJY-UHFFFAOYSA-N" . "InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)" . "OCC1C(=O)OC1CCCCC(CC(=CC(=CC(=O)O)C)C)C" . "OC[C@H]1C(=O)O[C@@H]1CCCC[C@H](C/C(=C/C(=C/C(=O)O)/C)/C)C" . "ODCZJZWSXPVLAW-KXCGKLMDSA-N" . "InChI=1S/C18H28O5/c1-12(8-13(2)9-14(3)10-17(20)21)6-4-5-7-16-15(11-19)18(22)23-16/h9-10,12,15-16,19H,4-8,11H2,1-3H3,(H,20,21)/b13-9+,14-10+/t12-,15-,16-/m1/s1" . "OC(COc1ccc(cc1)C(=O)O)CCc1ccc(cc1)C(C)(C)C" . "OC(COc1ccc(cc1)C(=O)O)CCc1ccc(cc1)C(C)(C)C" . "LNXBEIZREVRNTF-UHFFFAOYSA-N" . "InChI=1S/C21H26O4/c1-21(2,3)17-9-4-15(5-10-17)6-11-18(22)14-25-19-12-7-16(8-13-19)20(23)24/h4-5,7-10,12-13,18,22H,6,11,14H2,1-3H3,(H,23,24)" . "COc1ccc(c(c1)OC)n1c(nnc1n1cc(c2c1cccc2)CC)C(Cc1c[nH]c2c1cccc2)NC(=O)C1CCCN1" . "COc1ccc(c(c1)OC)n1c(nnc1n1cc(c2c1cccc2)CC)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCN1" . "YAWJYESYIAWFJX-URLMMPGGSA-N" . "InChI=1S/C35H37N7O3/c1-4-22-21-41(30-14-8-6-11-26(22)30)35-40-39-33(42(35)31-16-15-24(44-2)19-32(31)45-3)29(38-34(43)28-13-9-17-36-28)18-23-20-37-27-12-7-5-10-25(23)27/h5-8,10-12,14-16,19-21,28-29,36-37H,4,9,13,17-18H2,1-3H3,(H,38,43)/t28-,29+/m0/s1" . "O=C(NC(C)(C)C)Nc1ccc(cc1)c1c(N)nc(nc1COCc1ccccc1)N" . "O=C(NC(C)(C)C)Nc1ccc(cc1)c1c(N)nc(nc1COCc1ccccc1)N" . "MLBYOWASRACYDH-UHFFFAOYSA-N" . "InChI=1S/C23H28N6O2/c1-23(2,3)29-22(30)26-17-11-9-16(10-12-17)19-18(27-21(25)28-20(19)24)14-31-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H2,26,29,30)(H4,24,25,27,28)" . "O=C(C(c1cccnc1)N1CCN2C(C1)CCC2)NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "O=C([C@@H](c1cccnc1)N1CCN2[C@@H](C1)CCC2)NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "QNOSCJDGJKVFJR-RTBURBONSA-N" . "InChI=1S/C22H23F6N5O/c23-21(24,25)15-9-16(22(26,27)28)11-17(10-15)30-31-20(34)19(14-3-1-5-29-12-14)33-8-7-32-6-2-4-18(32)13-33/h1,3,5,9-12,18-19,30H,2,4,6-8,13H2,(H,31,34)/t18-,19-/m1/s1" . "OC(=O)c1cc(O)c(c(c1)O)O" . "OC(=O)c1cc(O)c(c(c1)O)O" . "LNTHITQWFMADLM-UHFFFAOYSA-N" . "InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)" . "O=C(CC(N)(C)C)NC1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)cccc2" . "O=C(CC(N)(C)C)N[C@@H]1CCc2c(N(C1=O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)cccc2" . "SBJLJOFPWOYATP-XMMPIXPASA-N" . "InChI=1S/C29H31N7O2/c1-29(2,30)17-26(37)31-24-16-15-21-7-3-6-10-25(21)36(28(24)38)18-19-11-13-20(14-12-19)22-8-4-5-9-23(22)27-32-34-35-33-27/h3-14,24H,15-18,30H2,1-2H3,(H,31,37)(H,32,33,34,35)/t24-/m1/s1" . "O=C(C(NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C" . "O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C" . "UMUPQWIGCOZEOY-JOCHJYFZSA-N" . "InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1" . "CCN(CCN1c2cc(cc(c2C(C1=O)(O)c1ccccc1Cl)C(F)(F)F)C(=O)N)CC" . "CCN(CCN1c2cc(cc(c2[C@](C1=O)(O)c1ccccc1Cl)C(F)(F)F)C(=O)N)CC" . "YSSPGXCFFITNCE-OAQYLSRUSA-N" . "InChI=1S/C22H23ClF3N3O3/c1-3-28(4-2)9-10-29-17-12-13(19(27)30)11-15(22(24,25)26)18(17)21(32,20(29)31)14-7-5-6-8-16(14)23/h5-8,11-12,32H,3-4,9-10H2,1-2H3,(H2,27,30)/t21-/m1/s1" . "OC(=O)CCCCC1=CC2C(C1)C(C(C2)O)C=CCCc1cccc(c1)C" . "OC(=O)CCCCC1=C[C@@H]2[C@H](C1)[C@H]([C@@H](C2)O)/C=C/CCc1cccc(c1)C" . "UZEWMXSWYKBMJG-ROHPBGETSA-N" . "InChI=1S/C24H32O3/c1-17-7-6-10-18(13-17)8-2-4-11-21-22-15-19(9-3-5-12-24(26)27)14-20(22)16-23(21)25/h4,6-7,10-11,13-14,20-23,25H,2-3,5,8-9,12,15-16H2,1H3,(H,26,27)/b11-4+/t20-,21+,22-,23+/m0/s1" . "OC(=O)CCCCC1=CC2C(C1)C(C(C2)O)C=CC(Cc1cccc(c1)C)O" . "OC(=O)CCCCC1=C[C@@H]2[C@H](C1)[C@H]([C@@H](C2)O)/C=C/[C@@H](Cc1cccc(c1)C)O" . "WECZQLFTKNIXDD-RNJUVHPUSA-N" . "InChI=1S/C24H32O4/c1-16-5-4-7-17(11-16)13-20(25)9-10-21-22-14-18(6-2-3-8-24(27)28)12-19(22)15-23(21)26/h4-5,7,9-12,19-23,25-26H,2-3,6,8,13-15H2,1H3,(H,27,28)/b10-9+/t19-,20-,21+,22-,23+/m0/s1" . "O=C1C=CC=CC1=CNNC(=O)c1ccccc1O" . "O=C1C=CC=C/C/1=C/NNC(=O)c1ccccc1O" . "NCCJLHWEUIAECU-KTKRTIGZSA-N" . "InChI=1S/C14H12N2O3/c17-12-7-3-1-5-10(12)9-15-16-14(19)11-6-2-4-8-13(11)18/h1-9,15,18H,(H,16,19)/b10-9-" . "CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)O)N" . "CCCCC/C=C/C/C=C/C=C/C=C/[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)O)N" . "OTZRAYGBFWZKMX-FRFVZSDQSA-N" . "InChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1" . "CCN(c1ccccc1)CC1COC(=N1)N" . "CCN(c1ccccc1)C[C@H]1COC(=N1)N" . "PPONHQQJLWPUPH-JTQLQIEISA-N" . "InChI=1S/C12H17N3O/c1-2-15(11-6-4-3-5-7-11)8-10-9-16-12(13)14-10/h3-7,10H,2,8-9H2,1H3,(H2,13,14)/t10-/m0/s1" . "CCCc1c(OCCCCC=CC=CC(C(c2cccc(c2)C(F)(F)F)O)Sc2ccc3c(c2)oc(cc3=O)C(=O)O)ccc(c1O)C(=O)C" . "CCCc1c(OCCCC/C=C/C=C/[C@@H]([C@@H](c2cccc(c2)C(F)(F)F)O)Sc2ccc3c(c2)oc(cc3=O)C(=O)O)ccc(c1O)C(=O)C" . "IXJCHVMUTFCRBH-SDUHDBOFSA-N" . "InChI=1S/C38H37F3O8S/c1-3-11-29-31(18-17-27(23(2)42)36(29)45)48-19-9-7-5-4-6-8-14-34(35(44)24-12-10-13-25(20-24)38(39,40)41)50-26-15-16-28-30(43)22-33(37(46)47)49-32(28)21-26/h4,6,8,10,12-18,20-22,34-35,44-45H,3,5,7,9,11,19H2,1-2H3,(H,46,47)/b6-4-,14-8+/t34-,35+/m0/s1" . "OC(Cc1ccccc1)C=CC1CCC(=O)N1CCCCCCc1nnn[nH]1" . "O[C@@H](Cc1ccccc1)/C=C/[C@H]1CCC(=O)N1CCCCCCc1nnn[nH]1" . "JWYPJSNXPZTEHL-VJKINUSGSA-N" . "InChI=1S/C21H29N5O2/c27-19(16-17-8-4-3-5-9-17)13-11-18-12-14-21(28)26(18)15-7-2-1-6-10-20-22-24-25-23-20/h3-5,8-9,11,13,18-19,27H,1-2,6-7,10,12,14-16H2,(H,22,23,24,25)/b13-11+/t18-,19+/m0/s1" . "CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C" . "CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C" . "HZVLFTCYCLXTGV-UHFFFAOYSA-N" . "InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)" . "Clc1ccc(c(c1)C(=O)NC(c1ccc(cc1)C(=O)O)C)Oc1ccc(cc1)F" . "Clc1ccc(c(c1)C(=O)N[C@H](c1ccc(cc1)C(=O)O)C)Oc1ccc(cc1)F" . "MWBNCZHVEXULBD-ZDUSSCGKSA-N" . "InChI=1S/C22H17ClFNO4/c1-13(14-2-4-15(5-3-14)22(27)28)25-21(26)19-12-16(23)6-11-20(19)29-18-9-7-17(24)8-10-18/h2-13H,1H3,(H,25,26)(H,27,28)/t13-/m0/s1" . "CCOc1c2CN(C(=O)c2c(c2c1nccc2)OCC)c1ccc(cc1C)CS(=O)(=O)NC(=O)Cc1ccccc1OC" . "CCOc1c2CN(C(=O)c2c(c2c1nccc2)OCC)c1ccc(cc1C)CS(=O)(=O)NC(=O)Cc1ccccc1OC" . "WVLIUERFVJYBNY-UHFFFAOYSA-N" . "InChI=1S/C32H33N3O7S/c1-5-41-30-23-11-9-15-33-29(23)31(42-6-2)24-18-35(32(37)28(24)30)25-14-13-21(16-20(25)3)19-43(38,39)34-27(36)17-22-10-7-8-12-26(22)40-4/h7-16H,5-6,17-19H2,1-4H3,(H,34,36)" . "OC(=O)COc1cccc2c1CCC(C2)(O)COC(=O)N(c1ccccc1)c1ccccc1" . "OC(=O)COc1cccc2c1CC[C@](C2)(O)COC(=O)N(c1ccccc1)c1ccccc1" . "UZJAIYJXBYWENR-AREMUKBSSA-N" . "InChI=1S/C26H25NO6/c28-24(29)17-32-23-13-7-8-19-16-26(31,15-14-22(19)23)18-33-25(30)27(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,31H,14-18H2,(H,28,29)/t26-/m1/s1" . "OC(=O)COc1cccc(c1)CC1CCCC=C1c1nc(c(o1)c1ccccc1)c1ccccc1" . "OC(=O)COc1cccc(c1)CC1CCCC=C1c1nc(c(o1)c1ccccc1)c1ccccc1" . "QVZSFHJAGXKMMQ-UHFFFAOYSA-N" . "InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)" . "OC(=O)CCCC=CCC1C2CCC(C1C=NOC(c1ccccc1)c1ccccc1)C=C2" . "OC(=O)CCC/C=C/C[C@@H]1[C@@H]2CC[C@H]([C@H]1/C=N/OC(c1ccccc1)c1ccccc1)C=C2" . "NBBRUBRIVJNCKV-BYSZDLRWSA-N" . "InChI=1S/C29H33NO3/c31-28(32)16-10-2-1-9-15-26-22-17-19-23(20-18-22)27(26)21-30-33-29(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h1,3-9,11-14,17,19,21-23,26-27,29H,2,10,15-16,18,20H2,(H,31,32)/b9-1-,30-21+/t22-,23+,26+,27+/m0/s1" . "OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C" . "OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C" . "OJQMKCBWYCWFPU-UHFFFAOYSA-N" . "InChI=1S/C25H29N3O3/c1-19(2)28(15-9-10-16-31-18-23(29)30)22-17-26-24(20-11-5-3-6-12-20)25(27-22)21-13-7-4-8-14-21/h3-8,11-14,17,19H,9-10,15-16,18H2,1-2H3,(H,29,30)" . "OC(=O)C(Nc1ncnc(c1)c1ccc(cc1)OCc1ccccc1)Cc1ccccc1" . "OC(=O)[C@@H](Nc1ncnc(c1)c1ccc(cc1)OCc1ccccc1)Cc1ccccc1" . "RRYFPNITZGCUPZ-DEOSSOPVSA-N" . "InChI=1S/C26H23N3O3/c30-26(31)24(15-19-7-3-1-4-8-19)29-25-16-23(27-18-28-25)21-11-13-22(14-12-21)32-17-20-9-5-2-6-10-20/h1-14,16,18,24H,15,17H2,(H,30,31)(H,27,28,29)/t24-/m0/s1" . "CCCCCCCCCC(CC(=O)O)O" . "CCCCCCCCCC(CC(=O)O)O" . "MUCMKTPAZLSKTL-UHFFFAOYSA-N" . "InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)" . "CCCCCCCCCCC(C(=O)O)O" . "CCCCCCCCCCC(C(=O)O)O" . "YDZIJQXINJLRLL-UHFFFAOYSA-N" . "InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h11,13H,2-10H2,1H3,(H,14,15)" . "CCCCCCCC(CC(=O)O)O" . "CCCCCCCC(CC(=O)O)O" . "FYSSBMZUBSBFJL-UHFFFAOYSA-N" . "InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)" . "CCCCCCCCC(C(=O)O)O" . "CCCCCCCCC(C(=O)O)O" . "GHPVDCPCKSNJDR-UHFFFAOYSA-N" . "InChI=1S/C10H20O3/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9,11H,2-8H2,1H3,(H,12,13)" . "COc1ccc(cc1S(=O)(=O)NC(=O)C=Cc1cc(Cl)ccc1Cc1ccc2c(c1)cccc2)Br" . "COc1ccc(cc1S(=O)(=O)NC(=O)/C=C/c1cc(Cl)ccc1Cc1ccc2c(c1)cccc2)Br" . "DYXFUJYHEDGCLS-UKTHLTGXSA-N" . "InChI=1S/C27H21BrClNO4S/c1-34-25-12-10-23(28)17-26(25)35(32,33)30-27(31)13-9-22-16-24(29)11-8-21(22)15-18-6-7-19-4-2-3-5-20(19)14-18/h2-14,16-17H,15H2,1H3,(H,30,31)/b13-9+" . "NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)O)C(O)C)CCC(=O)O)C(C)C)CCC(=O)O)C(C)C)Cc1c[nH]c2c1cccc2)CC(C)C)CC(C)C " . "CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)C(C)C" . "KKWBTFWTAVUNSC-NMUKIVKQSA-N" . "InChI=1S/C67H102N16O21/c1-33(2)24-43(75-48(85)27-68)60(96)77-44(25-34(3)4)61(97)78-45(26-38-28-69-40-15-11-10-14-39(38)40)62(98)80-56(36(7)8)66(102)76-42(19-21-54(92)93)59(95)79-55(35(5)6)65(101)71-29-49(86)70-30-50(87)74-41(18-20-53(90)91)58(94)72-31-51(88)82-22-12-16-46(82)63(99)73-32-52(89)83-23-13-17-47(83)64(100)81-57(37(9)84)67(103)104/h10-11,14-15,28,33-37,41-47,55-57,69,84H,12-13,16-27,29-32,68H2,1-9H3,(H,70,86)(H,71,101)(H,72,94)(H,73,99)(H,74,87)(H,75,85)(H,76,102)(H,77,96)(H,78,97)(H,79,95)(H,80,98)(H,81,100)(H,90,91)(H,92,93)(H,103,104)/t37-,41+,42+,43+,44+,45+,46+,47+,55+,56+,57+/m1/s1" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)NC(=O)C(CCSC)N" . "CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCSC)N" . "HOPVQBLVLLHWOU-BLVAWXTGSA-N" . "InChI=1S/C33H52N6O6S2/c1-19(2)15-26(31(42)39-28(33(44)45)16-20(3)4)37-32(43)27(17-21-18-35-24-10-8-7-9-22(21)24)38-30(41)25(12-14-47-6)36-29(40)23(34)11-13-46-5/h7-10,18-20,23,25-28,35H,11-17,34H2,1-6H3,(H,36,40)(H,37,43)(H,38,41)(H,39,42)(H,44,45)/t23-,25-,26-,27-,28-/m0/s1" . "COc1cc(C=NNC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1" . "COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1" . "ULOKADSYVZOTTL-ZMOGYAJESA-N" . "InChI=1S/C23H20N2O5/c1-27-21-11-17(7-9-19(21)28-14-16-5-3-2-4-6-16)13-24-25-23(26)18-8-10-20-22(12-18)30-15-29-20/h2-13H,14-15H2,1H3,(H,25,26)/b24-13+" . "COc1cccc(c1)Cc1cc(C)nn(c1=O)C(C(=O)Nc1ccc(cc1)Br)c1ccccc1" . "COc1cccc(c1)Cc1cc(C)nn(c1=O)[C@@H](C(=O)Nc1ccc(cc1)Br)c1ccccc1" . "SPUZCVBKJUVZSD-RUZDIDTESA-N" . "InChI=1S/C27H24BrN3O3/c1-18-15-21(16-19-7-6-10-24(17-19)34-2)27(33)31(30-18)25(20-8-4-3-5-9-20)26(32)29-23-13-11-22(28)12-14-23/h3-15,17,25H,16H2,1-2H3,(H,29,32)/t25-/m1/s1" . "COc1ccc2c(c1)nc([nH]2)SCC(=O)Nc1ccc(cc1)[N+](=O)[O-]" . "COc1ccc2c(c1)nc([nH]2)SCC(=O)Nc1ccc(cc1)[N+](=O)[O-]" . "LYQDSNOFTIZWAX-UHFFFAOYSA-N" . "InChI=1S/C16H14N4O4S/c1-24-12-6-7-13-14(8-12)19-16(18-13)25-9-15(21)17-10-2-4-11(5-3-10)20(22)23/h2-8H,9H2,1H3,(H,17,21)(H,18,19)" . "OC(=O)C(Cn1oc(=O)[nH]c1=O)N" . "OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N" . "ASNFTDCKZKHJSW-REOHCLBHSA-N" . "InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1" . "COc1ccc2c(c1)nc([nH]2)SCC(=O)Nc1ccc(cc1)SC" . "COc1ccc2c(c1)nc([nH]2)SCC(=O)Nc1ccc(cc1)SC" . "FKTAXVGJKVSANI-UHFFFAOYSA-N" . "InChI=1S/C17H17N3O2S2/c1-22-12-5-8-14-15(9-12)20-17(19-14)24-10-16(21)18-11-3-6-13(23-2)7-4-11/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)" . "O=C(Nc1c(C(C)C)n(n(c1=O)c1ccccc1)C)Nc1ccc(cc1)Cl" . "O=C(Nc1c(C(C)C)n(n(c1=O)c1ccccc1)C)Nc1ccc(cc1)Cl" . "PAEBEUZTAPIOIO-UHFFFAOYSA-N" . "InChI=1S/C20H21ClN4O2/c1-13(2)18-17(23-20(27)22-15-11-9-14(21)10-12-15)19(26)25(24(18)3)16-7-5-4-6-8-16/h4-13H,1-3H3,(H2,22,23,27)" . "Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O" . "Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O" . "AHTURLVFIJHCLS-UHFFFAOYSA-N" . "InChI=1S/C22H22N2O3S/c1-13-7-6-8-14(2)19(13)23-22(27)20(18-12-11-15(3)28-18)24-21(26)16-9-4-5-10-17(16)25/h4-12,20,25H,1-3H3,(H,23,27)(H,24,26)" . "CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1oc2c(c1C)cc(cc2)OCC" . "CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1oc2c(c1C)cc(cc2)OCC" . "AIMYRLXVAOYQLA-UHFFFAOYSA-N" . "InChI=1S/C23H25N3O3S/c1-4-28-15-9-10-20-16(13-15)14(2)21(29-20)23(27)26-19(11-12-30-3)22-24-17-7-5-6-8-18(17)25-22/h5-10,13,19H,4,11-12H2,1-3H3,(H,24,25)(H,26,27)" . "CCc1cc2c(cc1OC(=O)C)oc(c(c2=O)c1nc2c(n1C)cccc2)C" . "CCc1cc2c(cc1OC(=O)C)oc(c(c2=O)c1nc2c(n1C)cccc2)C" . "HTTVYKXJCQENKW-UHFFFAOYSA-N" . "InChI=1S/C22H20N2O4/c1-5-14-10-15-19(11-18(14)28-13(3)25)27-12(2)20(21(15)26)22-23-16-8-6-7-9-17(16)24(22)4/h6-11H,5H2,1-4H3" . "CC(C(N1C(=S)SC(=C2c3ccccc3N(C2=O)C)C1=O)C(=O)O)C" . "CC(C(N1C(=S)S/C(=C/2/c3ccccc3N(C2=O)C)/C1=O)C(=O)O)C" . "ICRQMQBVDGOOFY-QBFSEMIESA-N" . "InChI=1S/C17H16N2O4S2/c1-8(2)12(16(22)23)19-15(21)13(25-17(19)24)11-9-6-4-5-7-10(9)18(3)14(11)20/h4-8,12H,1-3H3,(H,22,23)/b13-11-" . "CC(c1cccc(c1O)C(C)C)C" . "CC(c1cccc(c1O)C(C)C)C" . "OLBCVFGFOZPWHH-UHFFFAOYSA-N" . "InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3" . "O=C1N(c2ccccc2)N(C(=O)C1CCS(=O)c1ccccc1)c1ccccc1" . "O=C1N(c2ccccc2)N(C(=O)C1CCS(=O)c1ccccc1)c1ccccc1" . "MBGGBVCUIVRRBF-UHFFFAOYSA-N" . "InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2" . "Cc1ccc(c(c1)NC(=O)c1cc(Cl)cc(c1O)Cl)Cl" . "Cc1ccc(c(c1)NC(=O)c1cc(Cl)cc(c1O)Cl)Cl" . "UCOQCHLODZCXRH-UHFFFAOYSA-N" . "InChI=1S/C14H10Cl3NO2/c1-7-2-3-10(16)12(4-7)18-14(20)9-5-8(15)6-11(17)13(9)19/h2-6,19H,1H3,(H,18,20)" . "O=C(C(c1cccc2c1cccc2)C)Nc1ccccc1Cc1ccccc1C(=O)O" . "O=C(C(c1cccc2c1cccc2)C)Nc1ccccc1Cc1ccccc1C(=O)O" . "BLJLWFKNTKAUDA-UHFFFAOYSA-N" . "InChI=1S/C27H23NO3/c1-18(22-15-8-12-19-9-2-5-13-23(19)22)26(29)28-25-16-7-4-11-21(25)17-20-10-3-6-14-24(20)27(30)31/h2-16,18H,17H2,1H3,(H,28,29)(H,30,31)" . "CC(CC(c1cc(C)cc(c1)C)NC(=C)c1cc(ccc1CCC(=O)O)COc1ccccc1C)C" . "CC(C[C@H](c1cc(C)cc(c1)C)NC(=C)c1cc(ccc1CCC(=O)O)COc1ccccc1C)C" . "MIHNFQDPLQJFEZ-SSEXGKCCSA-N" . "InChI=1S/C32H39NO3/c1-21(2)15-30(28-17-22(3)16-23(4)18-28)33-25(6)29-19-26(11-12-27(29)13-14-32(34)35)20-36-31-10-8-7-9-24(31)5/h7-12,16-19,21,30,33H,6,13-15,20H2,1-5H3,(H,34,35)/t30-/m1/s1" . "Clc1ccc(c(c1)Cl)Cn1cc(c2c1c(C=CC(=O)NS(=O)(=O)c1sc(c(c1)Cl)Cl)cc(c2)F)C" . "Clc1ccc(c(c1)Cl)Cn1cc(c2c1c(/C=C/C(=O)NS(=O)(=O)c1sc(c(c1)Cl)Cl)cc(c2)F)C" . "BFBTVZNKWXWKNZ-HWKANZROSA-N" . "InChI=1S/C23H15Cl4FN2O3S2/c1-12-10-30(11-14-2-4-15(24)7-18(14)25)22-13(6-16(28)8-17(12)22)3-5-20(31)29-35(32,33)21-9-19(26)23(27)34-21/h2-10H,11H2,1H3,(H,29,31)/b5-3+" . "O=C(NC(c1ccccc1)c1ccccc1)CCc1cccc2c1cccc2OCC(=O)O" . "O=C(NC(c1ccccc1)c1ccccc1)CCc1cccc2c1cccc2OCC(=O)O" . "YAPFKFDLARVWDB-UHFFFAOYSA-N" . "InChI=1S/C28H25NO4/c30-26(29-28(21-9-3-1-4-10-21)22-11-5-2-6-12-22)18-17-20-13-7-15-24-23(20)14-8-16-25(24)33-19-27(31)32/h1-16,28H,17-19H2,(H,29,30)(H,31,32)" . "CCCCCC(CCC1C(O)CC2C1Cc1cccc(c1C2)OCC(=O)O)O" . "CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O" . "PAJMKGZZBBTTOY-ZFORQUDYSA-N" . "InChI=1S/C23H34O5/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m0/s1" . "CCOC(=O)c1c(sc2c1CCCCC2)NC(=O)c1ccco1" . "CCOC(=O)c1c(sc2c1CCCCC2)NC(=O)c1ccco1" . "SCIMXCMXGZZKTB-UHFFFAOYSA-N" . "InChI=1S/C17H19NO4S/c1-2-21-17(20)14-11-7-4-3-5-9-13(11)23-16(14)18-15(19)12-8-6-10-22-12/h6,8,10H,2-5,7,9H2,1H3,(H,18,19)" . "COc1cc(C=CC(=O)NCCn2c(C)cc3c2cccc3)cc(c1OC)OC" . "COc1cc(/C=C/C(=O)NCCn2c(C)cc3c2cccc3)cc(c1OC)OC" . "YBHUXHFZLMFETJ-MDZDMXLPSA-N" . "InChI=1S/C23H26N2O4/c1-16-13-18-7-5-6-8-19(18)25(16)12-11-24-22(26)10-9-17-14-20(27-2)23(29-4)21(15-17)28-3/h5-10,13-15H,11-12H2,1-4H3,(H,24,26)/b10-9+" . "COc1ccc2c(c1)ccc(c2)OCC1(CN(C1)C(=O)c1ccc(cc1)F)C(=O)O" . "COc1ccc2c(c1)ccc(c2)OCC1(CN(C1)C(=O)c1ccc(cc1)F)C(=O)O" . "LWJGMYMNSNVCEM-UHFFFAOYSA-N" . "InChI=1S/C23H20FNO5/c1-29-19-8-4-17-11-20(9-5-16(17)10-19)30-14-23(22(27)28)12-25(13-23)21(26)15-2-6-18(24)7-3-15/h2-11H,12-14H2,1H3,(H,27,28)" . "OC(=O)C(c1o[nH]c(=O)c1)N" . "OC(=O)C(c1o[nH]c(=O)c1)N" . "IRJCBFDCFXCWGO-UHFFFAOYSA-N" . "InChI=1S/C5H6N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h1,4H,6H2,(H,7,8)(H,9,10)" . "OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1" . "OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1" . "MFFBXYNKZHTCEY-UHFFFAOYSA-N" . "InChI=1S/C24H22N4O5S/c29-24(30)18-33-22-5-1-4-20(14-22)17-27(34(31,32)23-6-2-11-25-15-23)16-19-7-9-21(10-8-19)28-13-3-12-26-28/h1-15H,16-18H2,(H,29,30)" . "CCC(N(C(=O)C1CCCCC1)Cc1cc2ccccc2n(c1=O)C)(CCN1CCOCC1)C" . "CCC(N(C(=O)C1CCCCC1)Cc1cc2ccccc2n(c1=O)C)(CCN1CCOCC1)C" . "FWHNGUFKFXDMER-UHFFFAOYSA-N" . "InChI=1S/C28H41N3O3/c1-4-28(2,14-15-30-16-18-34-19-17-30)31(27(33)22-10-6-5-7-11-22)21-24-20-23-12-8-9-13-25(23)29(3)26(24)32/h8-9,12-13,20,22H,4-7,10-11,14-19,21H2,1-3H3" . "CCN(C(=O)CCC1(c2ccc(cc2)Cl)n2ccnc2c2c1c(OC)ccc2)CC" . "CCN(C(=O)CCC1(c2ccc(cc2)Cl)n2ccnc2c2c1c(OC)ccc2)CC" . "YBTRRYYNHWVJLG-UHFFFAOYSA-N" . "InChI=1S/C24H26ClN3O2/c1-4-27(5-2)21(29)13-14-24(17-9-11-18(25)12-10-17)22-19(7-6-8-20(22)30-3)23-26-15-16-28(23)24/h6-12,15-16H,4-5,13-14H2,1-3H3" . "Fc1ccc(cc1)CNC(=O)N1CCN2C(C1)C(OC2=O)(c1ccccc1)c1ccccc1" . "Fc1ccc(cc1)CNC(=O)N1CCN2C(C1)C(OC2=O)(c1ccccc1)c1ccccc1" . "SFRQIPRTNYHJHP-UHFFFAOYSA-N" . "InChI=1S/C26H24FN3O3/c27-22-13-11-19(12-14-22)17-28-24(31)29-15-16-30-23(18-29)26(33-25(30)32,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18H2,(H,28,31)" . "O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)S(=C)(=C)Nc1onc(c1C)C" . "O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)S(=C)(=C)Nc1onc(c1C)C" . "ZRNSPTWPSVBOTC-UHFFFAOYSA-N" . "InChI=1S/C20H20Cl2N4O2S/c1-12-13(2)25-28-19(12)26-29(3,4)16-8-5-14(6-9-16)23-20(27)24-15-7-10-17(21)18(22)11-15/h5-11,26H,3-4H2,1-2H3,(H2,23,24,27)" . "CNC1CCCc2c1c(O)no2" . "CNC1CCCc2c1c(O)no2" . "UJAXSQRTPSSJPO-UHFFFAOYSA-N" . "InChI=1S/C8H12N2O2/c1-9-5-3-2-4-6-7(5)8(11)10-12-6/h5,9H,2-4H2,1H3,(H,10,11)" . "O=C(Nc1cccnc1Oc1ccccc1C(C)(C)C)Nc1ccc(cc1)OC(F)(F)F" . "O=C(Nc1cccnc1Oc1ccccc1C(C)(C)C)Nc1ccc(cc1)OC(F)(F)F" . "AHFLGPTXSIRAQK-UHFFFAOYSA-N" . "InChI=1S/C23H22F3N3O3/c1-22(2,3)17-7-4-5-9-19(17)31-20-18(8-6-14-27-20)29-21(30)28-15-10-12-16(13-11-15)32-23(24,25)26/h4-14H,1-3H3,(H2,28,29,30)" . "CCCCCc1ccc(cc1)NC(=O)Nc1cccc2c1oc(c2)c1ccccc1C(C)C" . "CCCCCc1ccc(cc1)NC(=O)Nc1cccc2c1oc(c2)c1ccccc1C(C)C" . "ASCJIAKBYVUVNZ-UHFFFAOYSA-N" . "InChI=1S/C29H32N2O2/c1-4-5-6-10-21-15-17-23(18-16-21)30-29(32)31-26-14-9-11-22-19-27(33-28(22)26)25-13-8-7-12-24(25)20(2)3/h7-9,11-20H,4-6,10H2,1-3H3,(H2,30,31,32)" . "CCC1C(C)C(Nc2ccccc2)c2c(N1C(=O)c1cc(Cl)cc(c1)Cl)cccc2" . "CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2c(N1C(=O)c1cc(Cl)cc(c1)Cl)cccc2" . "DKLLTFTXYHJXHK-OAEOJWKDSA-N" . "InChI=1S/C25H24Cl2N2O/c1-3-22-16(2)24(28-20-9-5-4-6-10-20)21-11-7-8-12-23(21)29(22)25(30)17-13-18(26)15-19(27)14-17/h4-16,22,24,28H,3H2,1-2H3/t16-,22-,24+/m1/s1" . "CCc1ccccc1n1nc(cc1Oc1ccccc1NC(=O)Nc1ccc(cc1)C1CCCCC1)C" . "CCc1ccccc1n1nc(cc1Oc1ccccc1NC(=O)Nc1ccc(cc1)C1CCCCC1)C" . "BLOWXIFVYOKSMX-UHFFFAOYSA-N" . "InChI=1S/C31H34N4O2/c1-3-23-11-7-9-15-28(23)35-30(21-22(2)34-35)37-29-16-10-8-14-27(29)33-31(36)32-26-19-17-25(18-20-26)24-12-5-4-6-13-24/h7-11,14-21,24H,3-6,12-13H2,1-2H3,(H2,32,33,36)" . "O=C(Nc1ccccc1Oc1cc(nn1c1ccccc1Cl)C)Nc1ccc(cc1)OC(F)(F)F" . "O=C(Nc1ccccc1Oc1cc(nn1c1ccccc1Cl)C)Nc1ccc(cc1)OC(F)(F)F" . "SAIPZPCGTLOMFE-UHFFFAOYSA-N" . "InChI=1S/C24H18ClF3N4O3/c1-15-14-22(32(31-15)20-8-4-2-6-18(20)25)34-21-9-5-3-7-19(21)30-23(33)29-16-10-12-17(13-11-16)35-24(26,27)28/h2-14H,1H3,(H2,29,30,33)" . "CC(C(C(=O)Nc1nccs1)c1ccc(cc1)Cl)C" . "CC([C@H](C(=O)Nc1nccs1)c1ccc(cc1)Cl)C" . "AZYDQCGCBQYFSE-LBPRGKRZSA-N" . "InChI=1S/C14H15ClN2OS/c1-9(2)12(10-3-5-11(15)6-4-10)13(18)17-14-16-7-8-19-14/h3-9,12H,1-2H3,(H,16,17,18)/t12-/m0/s1" . "OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F" . "OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F" . "FOECKIWHCOYYFL-UHFFFAOYSA-N" . "InChI=1S/C29H24F3NO2/c30-29(31,32)25-8-5-19(6-9-25)22-7-10-26-23(15-22)16-24(28(34)35)17-27(26)21-3-1-18(2-4-21)20-11-13-33-14-12-20/h1-10,15-17,20,33H,11-14H2,(H,34,35)" . "CCCNc1ccc(cc1[N+](=O)[O-])C(=O)O" . "CCCNc1ccc(cc1[N+](=O)[O-])C(=O)O" . "OVDGUTHABMXVMI-UHFFFAOYSA-N" . "InChI=1S/C10H12N2O4/c1-2-5-11-8-4-3-7(10(13)14)6-9(8)12(15)16/h3-4,6,11H,2,5H2,1H3,(H,13,14)" . "OC(=O)c1n[nH]c(c1)N(Cc1cscc1)Cc1cscc1" . "OC(=O)c1n[nH]c(c1)N(Cc1cscc1)Cc1cscc1" . "SQUDZZYXGWLQLZ-UHFFFAOYSA-N" . "InChI=1S/C14H13N3O2S2/c18-14(19)12-5-13(16-15-12)17(6-10-1-3-20-8-10)7-11-2-4-21-9-11/h1-5,8-9H,6-7H2,(H,15,16)(H,18,19)" . "OC(=O)C(CC(=O)c1ccccc1N)N" . "OC(=O)[C@@H](CC(=O)c1ccccc1N)N" . "YGPSJZOEDVAXAB-MRVPVSSYSA-N" . "InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m1/s1" . "OC(=O)C(Cc1c[nH]c2c1cccc2)N" . "OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N" . "QIVBCDIJIAJPQS-SECBINFHSA-N" . "InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1" . "NC(C(=O)O)Cc1ccccc1" . "N[C@@H](C(=O)O)Cc1ccccc1" . "COLNVLDHVKWLRT-MRVPVSSYSA-N" . "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1" . "CC(NC(=O)c1cnc2n(c1C)ncc2c1ccc(cc1)C(C)C)COc1ccccc1" . "C[C@@H](NC(=O)c1cnc2n(c1C)ncc2c1ccc(cc1)C(C)C)COc1ccccc1" . "DJSWNINDPRRCLC-GOSISDBHSA-N" . "InChI=1S/C26H28N4O2/c1-17(2)20-10-12-21(13-11-20)24-15-28-30-19(4)23(14-27-25(24)30)26(31)29-18(3)16-32-22-8-6-5-7-9-22/h5-15,17-18H,16H2,1-4H3,(H,29,31)/t18-/m1/s1" . "ClC1CCC(CC1Cl)c1cnn2c1ncc(c2C)C(=O)NCCOc1ccccc1" . "ClC1CCC(CC1Cl)c1cnn2c1ncc(c2C)C(=O)NCCOc1ccccc1" . "BHDJYYFELGTSTL-UHFFFAOYSA-N" . "InChI=1S/C22H24Cl2N4O2/c1-14-17(22(29)25-9-10-30-16-5-3-2-4-6-16)12-26-21-18(13-27-28(14)21)15-7-8-19(23)20(24)11-15/h2-6,12-13,15,19-20H,7-11H2,1H3,(H,25,29)" . "OC(=O)c1n[nH]c2c1CC(C2)c1ccnn1C" . "OC(=O)c1n[nH]c2c1CC(C2)c1ccnn1C" . "ZAJBYTSUTBCMRM-UHFFFAOYSA-N" . "InChI=1S/C11H12N4O2/c1-15-9(2-3-12-15)6-4-7-8(5-6)13-14-10(7)11(16)17/h2-3,6H,4-5H2,1H3,(H,13,14)(H,16,17)" . "Oc1ccc2c(c1)ncc(n2)N1CCN(CC1)C(=O)Nc1ccccc1C(=O)O" . "Oc1ccc2c(c1)ncc(n2)N1CCN(CC1)C(=O)Nc1ccccc1C(=O)O" . "YBFBENHWPRGUMU-UHFFFAOYSA-N" . "InChI=1S/C20H19N5O4/c26-13-5-6-16-17(11-13)21-12-18(22-16)24-7-9-25(10-8-24)20(29)23-15-4-2-1-3-14(15)19(27)28/h1-6,11-12,26H,7-10H2,(H,23,29)(H,27,28)" . "O=C(Nc1ccccc1C(=O)O)CCc1cnn2c1CCc1c2ccc(c1)O" . "O=C(Nc1ccccc1C(=O)O)CCc1cnn2c1CCc1c2ccc(c1)O" . "PCUNTWOSLIUDRR-UHFFFAOYSA-N" . "InChI=1S/C21H19N3O4/c25-15-7-9-18-13(11-15)5-8-19-14(12-22-24(18)19)6-10-20(26)23-17-4-2-1-3-16(17)21(27)28/h1-4,7,9,11-12,25H,5-6,8,10H2,(H,23,26)(H,27,28)" . "n1nnc([nH]1)c1n[nH]c2c1CC1C2C1" . "n1nnc([nH]1)c1n[nH]c2c1CC1C2C1" . "DKSPRNJUDCWTID-UHFFFAOYSA-N" . "InChI=1S/C8H8N6/c1-3-2-5-6(4(1)3)9-10-7(5)8-11-13-14-12-8/h3-4H,1-2H2,(H,9,10)(H,11,12,13,14)" . "CC1CCC(=C(C1)NC(=O)C(Cc1onc(n1)c1ccc(cn1)F)N)C(=O)O" . "C[C@@H]1CCC(=C(C1)NC(=O)[C@H](Cc1onc(n1)c1ccc(cn1)F)N)C(=O)O" . "CDYGJIFOATYSNF-SKDRFNHKSA-N" . "InChI=1S/C18H20FN5O4/c1-9-2-4-11(18(26)27)14(6-9)22-17(25)12(20)7-15-23-16(24-28-15)13-5-3-10(19)8-21-13/h3,5,8-9,12H,2,4,6-7,20H2,1H3,(H,22,25)(H,26,27)/t9-,12+/m1/s1" . "Oc1ccc(nc1)c1noc(n1)CC(C(=O)NC1=C(CCCC1)C(=O)O)(C)C" . "Oc1ccc(nc1)c1noc(n1)CC(C(=O)NC1=C(CCCC1)C(=O)O)(C)C" . "CJHXBFSJXDUJHP-UHFFFAOYSA-N" . "InChI=1S/C19H22N4O5/c1-19(2,18(27)21-13-6-4-3-5-12(13)17(25)26)9-15-22-16(23-28-15)14-8-7-11(24)10-20-14/h7-8,10,24H,3-6,9H2,1-2H3,(H,21,27)(H,25,26)" . "OC(=O)C=Cc1ccc(cc1)O" . "OC(=O)/C=C/c1ccc(cc1)O" . "NGSWKAQJJWESNS-ZZXKWVIFSA-N" . "InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+" . "COC(=O)C=CC(=O)O" . "COC(=O)/C=C/C(=O)O" . "NKHAVTQWNUWKEO-NSCUHMNNSA-N" . "InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2+" . "OC(=O)c1n[nH]c2c1CC1C2C1" . "OC(=O)c1n[nH]c2c1CC1C2C1" . "CUTZNERBKDMLAP-UHFFFAOYSA-N" . "InChI=1S/C8H8N2O2/c11-8(12)7-5-2-3-1-4(3)6(5)9-10-7/h3-4H,1-2H2,(H,9,10)(H,11,12)" . "n1[nH]nc(n1)c1n[nH]c2c1CCC2" . "n1[nH]nc(n1)c1n[nH]c2c1CCC2" . "LTQYSJKGRPGMPO-UHFFFAOYSA-N" . "InChI=1S/C7H8N6/c1-2-4-5(3-1)8-9-6(4)7-10-12-13-11-7/h1-3H2,(H,8,9)(H,10,11,12,13)" . "Oc1cc(O)cc(c1)C(=O)O" . "Oc1cc(O)cc(c1)C(=O)O" . "UYEMGAFJOZZIFP-UHFFFAOYSA-N" . "InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)" . "CC(Oc1cccnc1N(C1CCN(CC1)Cc1ccccc1)C)C" . "CC(Oc1cccnc1N(C1CCN(CC1)Cc1ccccc1)C)C" . "WFLHEXUTTRRXFJ-UHFFFAOYSA-N" . "InChI=1S/C21H29N3O/c1-17(2)25-20-10-7-13-22-21(20)23(3)19-11-14-24(15-12-19)16-18-8-5-4-6-9-18/h4-10,13,17,19H,11-12,14-16H2,1-3H3" . "O=C1NCCCN1C1CCN(CC1)CCC(c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C" . "O=C1NCCCN1C1CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C" . "SCMPVSAUZONHCN-JOCHJYFZSA-N" . "InChI=1S/C27H34Cl2N4O2/c1-31(26(34)20-6-3-2-4-7-20)19-22(21-8-9-24(28)25(29)18-21)10-15-32-16-11-23(12-17-32)33-14-5-13-30-27(33)35/h2-4,6-9,18,22-23H,5,10-17,19H2,1H3,(H,30,35)/t22-/m1/s1" . "CCC(c1ccccc1)NC(=O)c1c(NS(=O)(=O)C)c(nc2c1cccc2)c1ccccc1" . "CC[C@@H](c1ccccc1)NC(=O)c1c(NS(=O)(=O)C)c(nc2c1cccc2)c1ccccc1" . "QYTBBBAHNIWFOD-NRFANRHFSA-N" . "InChI=1S/C26H25N3O3S/c1-3-21(18-12-6-4-7-13-18)28-26(30)23-20-16-10-11-17-22(20)27-24(19-14-8-5-9-15-19)25(23)29-33(2,31)32/h4-17,21,29H,3H2,1-2H3,(H,28,30)/t21-/m0/s1" . "O=C(c1c(CN(S(=O)(=O)C)C)c(nc2c1cccc2)c1ccccc1)NC(c1ccccc1)C1CC1" . "O=C(c1c(CN(S(=O)(=O)C)C)c(nc2c1cccc2)c1ccccc1)N[C@H](c1ccccc1)C1CC1" . "YTXUTYGRBYCUIL-HHHXNRCGSA-N" . "InChI=1S/C29H29N3O3S/c1-32(36(2,34)35)19-24-26(29(33)31-27(22-17-18-22)20-11-5-3-6-12-20)23-15-9-10-16-25(23)30-28(24)21-13-7-4-8-14-21/h3-16,22,27H,17-19H2,1-2H3,(H,31,33)/t27-/m1/s1" . "Fc1cccc(c1)c1nc2ccccc2c(c1N)C(=O)NC(c1ccccc1)C1CC1" . "Fc1cccc(c1)c1nc2ccccc2c(c1N)C(=O)N[C@H](c1ccccc1)C1CC1" . "ZKGNLARKIMWKFE-XMMPIXPASA-N" . "InChI=1S/C26H22FN3O/c27-19-10-6-9-18(15-19)25-23(28)22(20-11-4-5-12-21(20)29-25)26(31)30-24(17-13-14-17)16-7-2-1-3-8-16/h1-12,15,17,24H,13-14,28H2,(H,30,31)/t24-/m1/s1" . "CCC(c1ccccc1)NC(=O)c1c(OCC(=O)O)c(nc2c1cccc2)c1ccccc1" . "CC[C@@H](c1ccccc1)NC(=O)c1c(OCC(=O)O)c(nc2c1cccc2)c1ccccc1" . "RJIWGNBRTQFKBW-NRFANRHFSA-N" . "InChI=1S/C27H24N2O4/c1-2-21(18-11-5-3-6-12-18)29-27(32)24-20-15-9-10-16-22(20)28-25(19-13-7-4-8-14-19)26(24)33-17-23(30)31/h3-16,21H,2,17H2,1H3,(H,29,32)(H,30,31)/t21-/m0/s1" . "ON=C(C(=O)N1CCN(CC1)c1nc(Nc2ccc(cc2)Cl)c2c(n1)C(=O)N(C2)C(C)C)C" . "O/N=C(/C(=O)N1CCN(CC1)c1nc(Nc2ccc(cc2)Cl)c2c(n1)C(=O)N(C2)C(C)C)/C" . "OYOSXTKSOATNNB-MZJWZYIUSA-N" . "InChI=1S/C22H26ClN7O3/c1-13(2)30-12-17-18(21(30)32)25-22(26-19(17)24-16-6-4-15(23)5-7-16)29-10-8-28(9-11-29)20(31)14(3)27-33/h4-7,13,33H,8-12H2,1-3H3,(H,24,25,26)/b27-14+" . "O=C(c1c(CN2CCC(CC2)N2CCCCC2)c(nc2c1cccc2)c1ccccc1)NC(C(C)(C)C)C" . "O=C(c1c(CN2CCC(CC2)N2CCCCC2)c(nc2c1cccc2)c1ccccc1)N[C@H](C(C)(C)C)C" . "RTUNBOPBBCULLC-DEOSSOPVSA-N" . "InChI=1S/C33H44N4O/c1-24(33(2,3)4)34-32(38)30-27-15-9-10-16-29(27)35-31(25-13-7-5-8-14-25)28(30)23-36-21-17-26(18-22-36)37-19-11-6-12-20-37/h5,7-10,13-16,24,26H,6,11-12,17-23H2,1-4H3,(H,34,38)/t24-/m0/s1" . "NC(=O)NCCCCCCCNC(=O)C(Cc1cccc(c1F)F)(NC(=O)OC(c1ccccc1)C(C)C)C" . "NC(=O)NCCCCCCCNC(=O)[C@](Cc1cccc(c1F)F)(NC(=O)O[C@H](c1ccccc1)C(C)C)C" . "IWEYVTFOHKCWJN-SVEHJYQDSA-N" . "InChI=1S/C29H40F2N4O4/c1-20(2)25(21-13-8-7-9-14-21)39-28(38)35-29(3,19-22-15-12-16-23(30)24(22)31)26(36)33-17-10-5-4-6-11-18-34-27(32)37/h7-9,12-16,20,25H,4-6,10-11,17-19H2,1-3H3,(H,33,36)(H,35,38)(H3,32,34,37)/t25-,29-/m0/s1" . "COc1ccc(cc1CNC1CCCNC1c1ccccc1)n1nnnc1C(F)(F)F" . "COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)n1nnnc1C(F)(F)F" . "XILNRORTJVDYRH-HKUYNNGSSA-N" . "InChI=1S/C21H23F3N6O/c1-31-18-10-9-16(30-20(21(22,23)24)27-28-29-30)12-15(18)13-26-17-8-5-11-25-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,25-26H,5,8,11,13H2,1H3/t17-,19-/m0/s1" . "OCCCCCCCCNC(C(=O)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)(Cc1ccccc1)C" . "OCCCCCCCCN[C@@](C(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)(Cc1ccccc1)C" . "LLSVPRQAIHTVBK-QVWWMRLHSA-N" . "InChI=1S/C32H47N3O5/c1-31(2,3)40-30(39)34-27(23-25-17-11-9-12-18-25)28(37)35-29(38)32(4,24-26-19-13-10-14-20-26)33-21-15-7-5-6-8-16-22-36/h9-14,17-20,27,33,36H,5-8,15-16,21-24H2,1-4H3,(H,34,39)(H,35,37,38)/t27-,32+/m0/s1" . "COC(=O)C(c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1" . "COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1" . "IUMQXQJZIHWLIN-HSZRJFAPSA-N" . "InChI=1S/C25H20N2O3/c1-30-25(29)23(18-12-6-3-7-13-18)27-24(28)20-16-22(17-10-4-2-5-11-17)26-21-15-9-8-14-19(20)21/h2-16,23H,1H3,(H,27,28)/t23-/m1/s1" . "CC(CC(C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)C)NC(=O)C1CCCN1C(=O)C(NC(=O)C(Cc1ccccc1)N)CC(C)C)C " . "CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O" . "HQAUWHJHJSFZOL-LSXSSXCESA-N" . "InChI=1S/C35H57N9O7/c1-20(2)17-26(31(47)40-22(5)29(45)41-25(34(50)51)13-9-15-39-35(37)38)42-32(48)28-14-10-16-44(28)33(49)27(18-21(3)4)43-30(46)24(36)19-23-11-7-6-8-12-23/h6-8,11-12,20-22,24-28H,9-10,13-19,36H2,1-5H3,(H,40,47)(H,41,45)(H,42,48)(H,43,46)(H,50,51)(H4,37,38,39)/t22-,24-,25-,26-,27-,28-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)C)CC(C)C)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1c[nH]c2c1cccc2)N)CCCCN)CCCCN)CCCN=C(N)N)C)CO " . "CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O" . "WZZZEVMVZFWLNO-QYEYXIDWSA-N" . "InChI=1S/C86H134N26O18/c1-47(2)37-65(75(120)99-45-71(116)104-66(38-48(3)4)81(126)102-49(5)72(117)108-64(84(129)130)27-18-36-96-86(93)94)110-79(124)62(25-13-16-34-89)107-83(128)69(46-113)112-73(118)50(6)101-77(122)63(26-17-35-95-85(91)92)106-82(127)67(39-51-28-30-54(114)31-29-51)111-80(125)61(24-12-15-33-88)105-78(123)60(23-11-14-32-87)103-70(115)44-100-76(121)68(41-53-43-98-59-22-10-8-20-56(53)59)109-74(119)57(90)40-52-42-97-58-21-9-7-19-55(52)58/h7-10,19-22,28-31,42-43,47-50,57,60-69,97-98,113-114H,11-18,23-27,32-41,44-46,87-90H2,1-6H3,(H,99,120)(H,100,121)(H,101,122)(H,102,126)(H,103,115)(H,104,116)(H,105,123)(H,106,127)(H,107,128)(H,108,117)(H,109,119)(H,110,124)(H,111,125)(H,112,118)(H,129,130)(H4,91,92,95)(H4,93,94,96)/t49-,50-,57-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1" . "O=C(C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(C)C)N(c1cnc(cc1c1ccccc1C)N1CCOCC1)C" . "O=C(C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(C)C)N(c1cnc(cc1c1ccccc1C)N1CCOCC1)C" . "ZGNPLCMMVKCTHM-UHFFFAOYSA-N" . "InChI=1S/C29H29F6N3O2/c1-18-7-5-6-8-22(18)23-16-25(38-9-11-40-12-10-38)36-17-24(23)37(4)26(39)27(2,3)19-13-20(28(30,31)32)15-21(14-19)29(33,34)35/h5-8,13-17H,9-12H2,1-4H3" . "Fc1ccc(c(c1)C)C1CC(CCN1C(=O)N(C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)C)N1CCN(CC1)C(=O)C" . "Fc1ccc(c(c1)C)[C@H]1C[C@H](CCN1C(=O)N([C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)C)N1CCN(CC1)C(=O)C" . "XGGTZCKQRWXCHW-WMTVXVAQSA-N" . "InChI=1S/C30H35F7N4O2/c1-18-13-24(31)5-6-26(18)27-17-25(40-11-9-39(10-12-40)20(3)42)7-8-41(27)28(43)38(4)19(2)21-14-22(29(32,33)34)16-23(15-21)30(35,36)37/h5-6,13-16,19,25,27H,7-12,17H2,1-4H3/t19-,25+,27-/m1/s1" . "O=C(N(C1CCCCC1)C)CCCOc1ccc2c(c1)ccc(=O)[nH]2" . "O=C(N(C1CCCCC1)C)CCCOc1ccc2c(c1)ccc(=O)[nH]2" . "UIAYVIIHMORPSJ-UHFFFAOYSA-N" . "InChI=1S/C20H26N2O3/c1-22(16-6-3-2-4-7-16)20(24)8-5-13-25-17-10-11-18-15(14-17)9-12-19(23)21-18/h9-12,14,16H,2-8,13H2,1H3,(H,21,23)" . "Fc1ccc(c(c1)C)C1CNCCN1C(=O)N(C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)C" . "Fc1ccc(c(c1)C)[C@H]1CNCCN1C(=O)N([C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)C" . "SBBYBXSFWOLDDG-JLTOFOAXSA-N" . "InChI=1S/C23H24F7N3O/c1-13-8-18(24)4-5-19(13)20-12-31-6-7-33(20)21(34)32(3)14(2)15-9-16(22(25,26)27)11-17(10-15)23(28,29)30/h4-5,8-11,14,20,31H,6-7,12H2,1-3H3/t14-,20-/m1/s1" . "CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O" . "CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO)O" . "RZRNAYUHWVFMIP-KTKRTIGZSA-N" . "InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-" . "N#Cc1ccc(c(c1)Cl)Nc1ncnc(c1C)OC1CC2CCC(C1)N2S(=O)(=O)C1CC1" . "N#Cc1ccc(c(c1)Cl)Nc1ncnc(c1C)OC1C[C@@H]2CC[C@@H](C1)N2S(=O)(=O)C1CC1" . "JONDVPWMQDOELC-HOTGVXAUSA-N" . "InChI=1S/C22H24ClN5O3S/c1-13-21(27-20-7-2-14(11-24)8-19(20)23)25-12-26-22(13)31-17-9-15-3-4-16(10-17)28(15)32(29,30)18-5-6-18/h2,7-8,12,15-18H,3-6,9-10H2,1H3,(H,25,26,27)/t15-,16-/m0/s1" . "O=C(Nc1c(C)cccc1C)CN1CCN(CC1)C1CCN(C(C1)Cc1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "O=C(Nc1c(C)cccc1C)CN1CCN(CC1)[C@H]1CCN([C@@H](C1)Cc1ccccc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "KHOXGPDKCIQOOR-XZWHSSHBSA-N" . "InChI=1S/C35H38F6N4O2/c1-23-7-6-8-24(2)32(23)42-31(46)22-43-13-15-44(16-14-43)29-11-12-45(30(21-29)17-25-9-4-3-5-10-25)33(47)26-18-27(34(36,37)38)20-28(19-26)35(39,40)41/h3-10,18-20,29-30H,11-17,21-22H2,1-2H3,(H,42,46)/t29-,30+/m0/s1" . "COc1ccc(cc1CNC1C2CCN(C1C(c1ccccc1)c1ccccc1)CC2)C(C)C" . "COc1ccc(cc1CN[C@H]1C2CCN([C@H]1C(c1ccccc1)c1ccccc1)CC2)C(C)C" . "XPNMCDYOYIKVGB-CONSDPRKSA-N" . "InChI=1S/C31H38N2O/c1-22(2)26-14-15-28(34-3)27(20-26)21-32-30-25-16-18-33(19-17-25)31(30)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-15,20,22,25,29-32H,16-19,21H2,1-3H3/t30-,31-/m0/s1" . "O=C(N1C2CCC1CC(C2)Oc1ncnc(c1C)Oc1cccnc1C)OC(C)(C)C" . "O=C(N1[C@H]2CC[C@H]1CC(C2)Oc1ncnc(c1C)Oc1cccnc1C)OC(C)(C)C" . "YKEGUYTXACKXKS-IRXDYDNUSA-N" . "InChI=1S/C23H30N4O4/c1-14-20(25-13-26-21(14)30-19-7-6-10-24-15(19)2)29-18-11-16-8-9-17(12-18)27(16)22(28)31-23(3,4)5/h6-7,10,13,16-18H,8-9,11-12H2,1-5H3/t16-,17-/m0/s1" . "O=C1CCC2(N1)CCC(NC2)(COC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccccc1" . "O=C1CC[C@@]2(N1)CC[C@@](NC2)(CO[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccccc1" . "FIVSJYGQAIEMOC-ZGNKEGEESA-N" . "InChI=1S/C25H26F6N2O2/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-5-3-2-4-6-18)10-9-22(14-32-23)8-7-21(34)33-22/h2-6,11-13,16,32H,7-10,14-15H2,1H3,(H,33,34)/t16-,22-,23-/m1/s1" . "Clc1cnc(nc1)N1CCC(CC1)C1CC1CCOc1ccc(cn1)S(=O)(=O)C" . "Clc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1ccc(cn1)S(=O)(=O)C" . "XFJBGINZIMNZBW-CRAIPNDOSA-N" . "InChI=1S/C20H25ClN4O3S/c1-29(26,27)17-2-3-19(22-13-17)28-9-6-15-10-18(15)14-4-7-25(8-5-14)20-23-11-16(21)12-24-20/h2-3,11-15,18H,4-10H2,1H3/t15-,18-/m1/s1" . "C#Cc1nc(C)cc(n1)N1CCC(CC1)C1CCN(CC1)c1ncc(nc1)C" . "C#Cc1nc(C)cc(n1)N1CCC(CC1)C1CCN(CC1)c1ncc(nc1)C" . "GIKAEVLPYSTAGY-UHFFFAOYSA-N" . "InChI=1S/C22H28N6/c1-4-20-25-16(2)13-21(26-20)27-9-5-18(6-10-27)19-7-11-28(12-8-19)22-15-23-17(3)14-24-22/h1,13-15,18-19H,5-12H2,2-3H3" . "COc1ccc(cc1CNC1CCCNC1c1ccccc1)c1ccc(cc1F)C#N" . "COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)c1ccc(cc1F)C#N" . "BJOOHYLOKXAENV-AHWVRZQESA-N" . "InChI=1S/C26H26FN3O/c1-31-25-12-10-20(22-11-9-18(16-28)14-23(22)27)15-21(25)17-30-24-8-5-13-29-26(24)19-6-3-2-4-7-19/h2-4,6-7,9-12,14-15,24,26,29-30H,5,8,13,17H2,1H3/t24-,26-/m0/s1" . "O=C(N1CCC(CC1)C1CCN(CC1)c1cccnc1)OC(C)(C)C" . "O=C(N1CCC(CC1)C1CCN(CC1)c1cccnc1)OC(C)(C)C" . "CRZGKAWVJIDZPZ-UHFFFAOYSA-N" . "InChI=1S/C20H31N3O2/c1-20(2,3)25-19(24)23-13-8-17(9-14-23)16-6-11-22(12-7-16)18-5-4-10-21-15-18/h4-5,10,15-17H,6-9,11-14H2,1-3H3" . "N#Cc1cc(cnc1N1CCC(CC1)c1onc(n1)C(C)C)c1ccc(c(c1)C)C#N" . "N#Cc1cc(cnc1N1CCC(CC1)c1onc(n1)C(C)C)c1ccc(c(c1)C)C#N" . "TXALYVIWRLTFFP-UHFFFAOYSA-N" . "InChI=1S/C24H24N6O/c1-15(2)22-28-24(31-29-22)17-6-8-30(9-7-17)23-20(13-26)11-21(14-27-23)18-4-5-19(12-25)16(3)10-18/h4-5,10-11,14-15,17H,6-9H2,1-3H3" . "N#Cc1cc(cnc1N1CCN(CC1)C(=O)OC(C)C)c1ccc2c(c1)nccn2" . "N#Cc1cc(cnc1N1CCN(CC1)C(=O)OC(C)C)c1ccc2c(c1)nccn2" . "UVINGSLSDLUGKX-UHFFFAOYSA-N" . "InChI=1S/C22H22N6O2/c1-15(2)30-22(29)28-9-7-27(8-10-28)21-17(13-23)11-18(14-26-21)16-3-4-19-20(12-16)25-6-5-24-19/h3-6,11-12,14-15H,7-10H2,1-2H3" . "CN1CCN(CC1)c1ncc(c(c1)c1ccccc1C)N(C(=O)C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(C)C)C" . "CN1CCN(CC1)c1ncc(c(c1)c1ccccc1C)N(C(=O)C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(C)C)C" . "WAXQNWCZJDTGBU-UHFFFAOYSA-N" . "InChI=1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3" . "O=C(N1CCC(CC1)Oc1ncnc2c1onc2c1ccc(cc1)S(=O)(=O)C)OC(C)(C)C" . "O=C(N1CCC(CC1)Oc1ncnc2c1onc2c1ccc(cc1)S(=O)(=O)C)OC(C)(C)C" . "JYRWUSXRTGACLY-UHFFFAOYSA-N" . "InChI=1S/C22H26N4O6S/c1-22(2,3)31-21(27)26-11-9-15(10-12-26)30-20-19-18(23-13-24-20)17(25-32-19)14-5-7-16(8-6-14)33(4,28)29/h5-8,13,15H,9-12H2,1-4H3" . "O=C(N1CCC(CC1)Oc1ncnc2c1[nH]c(=O)n2c1ccc(cc1F)S(=O)(=O)C)OC(C)(C)C" . "O=C(N1CCC(CC1)Oc1ncnc2c1[nH]c(=O)n2c1ccc(cc1F)S(=O)(=O)C)OC(C)(C)C" . "AXLNAZYMBNKFJO-UHFFFAOYSA-N" . "InChI=1S/C22H26FN5O6S/c1-22(2,3)34-21(30)27-9-7-13(8-10-27)33-19-17-18(24-12-25-19)28(20(29)26-17)16-6-5-14(11-15(16)23)35(4,31)32/h5-6,11-13H,7-10H2,1-4H3,(H,26,29)" . "O=C(N1CCC(CC1)Sc1ncnc2c1cnn2c1ccc(cc1F)S(=O)(=O)C)OC(C)(C)C" . "O=C(N1CCC(CC1)Sc1ncnc2c1cnn2c1ccc(cc1F)S(=O)(=O)C)OC(C)(C)C" . "KRCCTTRJUJRZKA-UHFFFAOYSA-N" . "InChI=1S/C22H26FN5O4S2/c1-22(2,3)32-21(29)27-9-7-14(8-10-27)33-20-16-12-26-28(19(16)24-13-25-20)18-6-5-15(11-17(18)23)34(4,30)31/h5-6,11-14H,7-10H2,1-4H3" . "O=C(N1CCC(CC1)Oc1ncnc2c1cnn2c1ccc(cc1F)S(=O)(=O)C)OC(C)(C)C" . "O=C(N1CCC(CC1)Oc1ncnc2c1cnn2c1ccc(cc1F)S(=O)(=O)C)OC(C)(C)C" . "FEAQKOJMPVAIBR-UHFFFAOYSA-N" . "InChI=1S/C22H26FN5O5S/c1-22(2,3)33-21(29)27-9-7-14(8-10-27)32-20-16-12-26-28(19(16)24-13-25-20)18-6-5-15(11-17(18)23)34(4,30)31/h5-6,11-14H,7-10H2,1-4H3" . "O=C(N1CCC(CC1)Oc1ncnc2c1cnn2c1ccc(cc1)S(=O)(=O)C)OC(C)(C)C" . "O=C(N1CCC(CC1)Oc1ncnc2c1cnn2c1ccc(cc1)S(=O)(=O)C)OC(C)(C)C" . "LZCNLEZPKDPKSO-UHFFFAOYSA-N" . "InChI=1S/C22H27N5O5S/c1-22(2,3)32-21(28)26-11-9-16(10-12-26)31-20-18-13-25-27(19(18)23-14-24-20)15-5-7-17(8-6-15)33(4,29)30/h5-8,13-14,16H,9-12H2,1-4H3" . "CCCCC#Cc1nc(NC)c2c(n1)n(cn2)C1OC(C(C1O)O)CO" . "CCCCC#Cc1nc(NC)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO" . "KOCIMZNSNPOGOP-IWCJZZDYSA-N" . "InChI=1S/C17H23N5O4/c1-3-4-5-6-7-11-20-15(18-2)12-16(21-11)22(9-19-12)17-14(25)13(24)10(8-23)26-17/h9-10,13-14,17,23-25H,3-5,8H2,1-2H3,(H,18,20,21)/t10-,13-,14-,17-/m1/s1" . "N#Cc1cnccc1COc1cnc(nc1)N1CCN(CC1C)c1noc(n1)C(C)C" . "N#Cc1cnccc1COc1cnc(nc1)N1CCN(C[C@@H]1C)c1noc(n1)C(C)C" . "UNGZTVLHLKAKQE-HNNXBMFYSA-N" . "InChI=1S/C21H24N8O2/c1-14(2)19-26-21(27-31-19)28-6-7-29(15(3)12-28)20-24-10-18(11-25-20)30-13-16-4-5-23-9-17(16)8-22/h4-5,9-11,14-15H,6-7,12-13H2,1-3H3/t15-/m0/s1" . "COc1cc(cc(c1)OC)NC(=O)c1ccc(o1)c1ccc(cc1)Cl" . "COc1cc(cc(c1)OC)NC(=O)c1ccc(o1)c1ccc(cc1)Cl" . "VHKBTPQDHDSBSP-UHFFFAOYSA-N" . "InChI=1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)" . "CC(c1ccc(cc1)CSc1nc(N)cc(=O)n1C)(C)C" . "CC(c1ccc(cc1)CSc1nc(N)cc(=O)n1C)(C)C" . "AJMIFZLEDTUBTN-UHFFFAOYSA-N" . "InChI=1S/C16H21N3OS/c1-16(2,3)12-7-5-11(6-8-12)10-21-15-18-13(17)9-14(20)19(15)4/h5-9H,10,17H2,1-4H3" . "CCCCCN1c2ccccc2C2(C1=O)COc1c2cc2OCOc2c1" . "CCCCCN1c2ccccc2C2(C1=O)COc1c2cc2OCOc2c1" . "PHMRUZIIERITEP-UHFFFAOYSA-N" . "InChI=1S/C21H21NO4/c1-2-3-6-9-22-16-8-5-4-7-14(16)21(20(22)23)12-24-17-11-19-18(10-15(17)21)25-13-26-19/h4-5,7-8,10-11H,2-3,6,9,12-13H2,1H3" . "c1ccc(cc1)Cn1ccc2c1ncnc2OC1CCN(CC1)c1ccccn1" . "c1ccc(cc1)Cn1ccc2c1ncnc2OC1CCN(CC1)c1ccccn1" . "ZMRCFNOIVYNNGH-UHFFFAOYSA-N" . "InChI=1S/C23H23N5O/c1-2-6-18(7-3-1)16-28-15-11-20-22(28)25-17-26-23(20)29-19-9-13-27(14-10-19)21-8-4-5-12-24-21/h1-8,11-12,15,17,19H,9-10,13-14,16H2" . "OCC1(O)C2OC3(OC1C1C4(C2O)C3OC1NC(=[NH2+])N4)O" . "OCC1(O)C2OC3(OC1C1C4(C2O)C3OC1NC(=[NH2+])N4)O" . "STNXQECXKDMLJK-UHFFFAOYSA-O" . "InChI=1S/C11H15N3O7/c12-8-13-6-2-4-9(17,1-15)5-3(16)10(2,14-8)7(19-6)11(18,20-4)21-5/h2-7,15-18H,1H2,(H3,12,13,14)/p+1" . "CCC1Cn2c(=N1)c1[nH]c(nc1n(c2=O)C)c1ccccc1" . "CCC1Cn2c(=N1)c1[nH]c(nc1n(c2=O)C)c1ccccc1" . "RGDHRCXUMURWBJ-UHFFFAOYSA-N" . "InChI=1S/C16H17N5O/c1-3-11-9-21-15(17-11)12-14(20(2)16(21)22)19-13(18-12)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3,(H,18,19)" . "CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl" . "CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl" . "OVHCTHHFOHMNFV-UHFFFAOYSA-N" . "InChI=1S/C24H25ClN6O4S/c1-2-11-31-23(32)20-22(28-24(31)33)27-21(26-20)16-3-9-19(10-4-16)36(34,35)30-14-12-29(13-15-30)18-7-5-17(25)6-8-18/h3-10H,2,11-15H2,1H3,(H,26,27)(H,28,33)" . "COc1c(ncnc1Nc1ccc(nc1C)S(=O)(=O)C)OC1CCN(CC1)C(=O)OC(C)C" . "COc1c(ncnc1Nc1ccc(nc1C)S(=O)(=O)C)OC1CCN(CC1)C(=O)OC(C)C" . "WPDCHTSXOPUOII-UHFFFAOYSA-N" . "InChI=1S/C21H29N5O6S/c1-13(2)31-21(27)26-10-8-15(9-11-26)32-20-18(30-4)19(22-12-23-20)25-16-6-7-17(24-14(16)3)33(5,28)29/h6-7,12-13,15H,8-11H2,1-5H3,(H,22,23,25)" . "O=C(Cc1c(F)ccc(c1F)F)NCC(C1CCN(CC1)C(=O)OC1(C)CC1)F" . "O=C(Cc1c(F)ccc(c1F)F)NC[C@H](C1CCN(CC1)C(=O)OC1(C)CC1)F" . "QCIKTRZVLCLGFT-MRXNPFEDSA-N" . "InChI=1S/C20H24F4N2O3/c1-20(6-7-20)29-19(28)26-8-4-12(5-9-26)16(23)11-25-17(27)10-13-14(21)2-3-15(22)18(13)24/h2-3,12,16H,4-11H2,1H3,(H,25,27)/t16-/m1/s1" . "OC(=O)CCCC1CCN(CC1)c1nc(nc2c1CS(=O)(=O)C2)C1CCC1" . "OC(=O)CCCC1CCN(CC1)c1nc(nc2c1CS(=O)(=O)C2)C1CCC1" . "NFFANIJTECFGGM-UHFFFAOYSA-N" . "InChI=1S/C19H27N3O4S/c23-17(24)6-1-3-13-7-9-22(10-8-13)19-15-11-27(25,26)12-16(15)20-18(21-19)14-4-2-5-14/h13-14H,1-12H2,(H,23,24)" . "Brc1ccc(cc1)c1nc(NCCc2ccc[n+](c2)[O-])cc(n1)C" . "Brc1ccc(cc1)c1nc(NCCc2ccc[n+](c2)[O-])cc(n1)C" . "ANESWNKKPIMPNA-UHFFFAOYSA-N" . "InChI=1S/C18H17BrN4O/c1-13-11-17(20-9-8-14-3-2-10-23(24)12-14)22-18(21-13)15-4-6-16(19)7-5-15/h2-7,10-12H,8-9H2,1H3,(H,20,21,22)" . "CCCCCCCCC=CCCCCCCCC(=O)NC(Cc1ccc(cc1)O)CO" . "CCCCCCCC/C=C/CCCCCCCC(=O)N[C@@H](Cc1ccc(cc1)O)CO" . "ICDMLAQPOAVWNH-JRUKXMRZSA-N" . "InChI=1S/C27H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(31)28-25(23-29)22-24-18-20-26(30)21-19-24/h9-10,18-21,25,29-30H,2-8,11-17,22-23H2,1H3,(H,28,31)/b10-9-/t25-/m0/s1" . "CCCCCCCCC=CCCCCCCCC(=O)NC(Cc1ccc(cc1)O)CO" . "CCCCCCCC/C=C/CCCCCCCC(=O)N[C@H](Cc1ccc(cc1)O)CO" . "ICDMLAQPOAVWNH-YHZGQTRVSA-N" . "InChI=1S/C27H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(31)28-25(23-29)22-24-18-20-26(30)21-19-24/h9-10,18-21,25,29-30H,2-8,11-17,22-23H2,1H3,(H,28,31)/b10-9+/t25-/m1/s1" . "Fc1ccc(c(c1)F)Sc1ccc2n(n1)cnc(=O)c2c1c(Cl)cccc1Cl" . "Fc1ccc(c(c1)F)Sc1ccc2n(n1)cnc(=O)c2c1c(Cl)cccc1Cl" . "VEPKQEUBKLEPRA-UHFFFAOYSA-N" . "InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H" . "O=C(Nc1cc(C)ccc1F)Nc1ccc(cc1)c1cccc2c1c(N)n[nH]2" . "O=C(Nc1cc(C)ccc1F)Nc1ccc(cc1)c1cccc2c1c(N)n[nH]2" . "MPVGZUGXCQEXTM-UHFFFAOYSA-N" . "InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)" . "CN1CCN(CC1)c1nc(Sc2ccc(cc2)NC(=O)C2CC2)nc(c1)Nc1[nH]nc(c1)C" . "CN1CCN(CC1)c1nc(Sc2ccc(cc2)NC(=O)C2CC2)nc(c1)Nc1[nH]nc(c1)C" . "GCIKSSRWRFVXBI-UHFFFAOYSA-N" . "InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)" . "COc1cc2c(ncnc2cc1OCC1CCN(CC1)C)Nc1ccc(cc1F)Br" . "COc1cc2c(ncnc2cc1OCC1CCN(CC1)C)Nc1ccc(cc1F)Br" . "UHTHHESEBZOYNR-UHFFFAOYSA-N" . "InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)" . "Cc1cnc(nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C)Nc1ccc(cc1)OCCN1CCCC1" . "Cc1cnc(nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C)Nc1ccc(cc1)OCCN1CCCC1" . "JOOXLOJCABQBSG-UHFFFAOYSA-N" . "InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)" . "Oc1cccc(c1)c1nc2nc(N)nc(c2nc1c1cccc(c1)O)N" . "Oc1cccc(c1)c1nc2nc(N)nc(c2nc1c1cccc(c1)O)N" . "UJIAQDJKSXQLIT-UHFFFAOYSA-N" . "InChI=1S/C18H14N6O2/c19-16-15-17(24-18(20)23-16)22-14(10-4-2-6-12(26)8-10)13(21-15)9-3-1-5-11(25)7-9/h1-8,25-26H,(H4,19,20,22,23,24)" . "COc1cc(ccc1Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl)N1CCC(CC1)N1CCN(CC1)C" . "COc1cc(ccc1Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl)N1CCC(CC1)N1CCN(CC1)C" . "QQWUGDVOUVUTOY-UHFFFAOYSA-N" . "InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)" . "CCN(CCNC(=O)c1c(C)[nH]c(c1C)C=C1C(=O)Nc2c1cc(F)cc2)CC" . "CCN(CCNC(=O)c1c(C)[nH]c(c1C)/C=C/1/C(=O)Nc2c1cc(F)cc2)CC" . "WINHZLLDWRZWRT-ATVHPVEESA-N" . "InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-" . "OC(CN1CCOCC1)CNC(=O)C1C(=NC(=C1C)C=C1C(=O)Nc2c1cc(F)cc2)C" . "O[C@H](CN1CCOCC1)CNC(=O)C1C(=NC(=C1C)/C=C/1/C(=O)Nc2c1cc(F)cc2)C" . "XWPFYHDOZULRTD-ROUJOJKSSA-N" . "InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,21,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-,21?/m0/s1" . "CNC(=O)c1nccc(c1)Oc1ccc(cc1)NC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl" . "CNC(=O)c1nccc(c1)Oc1ccc(cc1)NC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl" . "MLDQJTXFUGDVEO-UHFFFAOYSA-N" . "InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)" . "COc1cc2c(cc1OCCCN1CCN(CC1)C)ncc(c2Nc1cc(OC)c(cc1Cl)Cl)C#N" . "COc1cc2c(cc1OCCCN1CCN(CC1)C)ncc(c2Nc1cc(OC)c(cc1Cl)Cl)C#N" . "UBPYILGKFZZVDX-UHFFFAOYSA-N" . "InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)" . "Cn1ncc(c1)c1ccc2n(n1)c(nn2)Sc1ccc2c(c1)cccn2" . "Cn1ncc(c1)c1ccc2n(n1)c(nn2)Sc1ccc2c(c1)cccn2" . "BCZUAADEACICHN-UHFFFAOYSA-N" . "InChI=1S/C18H13N7S/c1-24-11-13(10-20-24)16-6-7-17-21-22-18(25(17)23-16)26-14-4-5-15-12(9-14)3-2-8-19-15/h2-11H,1H3" . "OC(=O)C(Cn1oc(=O)[nH]c1=O)N" . "OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N" . "ASNFTDCKZKHJSW-REOHCLBHSA-N" . "InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1" . "COc1ccc(c(c1C(=O)c1cnc(nc1N)NC1CCN(CC1)S(=O)(=O)C)F)F" . "COc1ccc(c(c1C(=O)c1cnc(nc1N)NC1CCN(CC1)S(=O)(=O)C)F)F" . "JRNJNYBQQYBCLE-UHFFFAOYSA-N" . "InChI=1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24)" . "COc1cc(Nc2ncc(c(n2)Nc2ccc3c(n2)NC(=O)C(O3)(C)C)F)cc(c1OC)OC" . "COc1cc(Nc2ncc(c(n2)Nc2ccc3c(n2)NC(=O)C(O3)(C)C)F)cc(c1OC)OC" . "NHHQJBCNYHBUSI-UHFFFAOYSA-N" . "InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)" . "Clc1ccc(cc1)Nc1nnc(c2c1cccc2)Cc1ccncc1" . "Clc1ccc(cc1)Nc1nnc(c2c1cccc2)Cc1ccncc1" . "YCOYDOIWSSHVCK-UHFFFAOYSA-N" . "InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)" . "Oc1ccc2c(c1)cc([nH]2)c1nn(c2c1c(N)ncn2)C(C)C" . "Oc1ccc2c(c1)cc([nH]2)c1nn(c2c1c(N)ncn2)C(C)C" . "MFAQYJIYDMLAIM-UHFFFAOYSA-N" . "InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)" . "CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(Cl)cn2)F" . "CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(Cl)cn2)F" . "YZDJQTHVDDOVHR-UHFFFAOYSA-N" . "InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)" . "COC1C(CC2OC1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O)N(C(=O)c1ccccc1)C" . "CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O)N(C(=O)c1ccccc1)C" . "BMGQWWVMWDBQGC-IIFHNQTCSA-N" . "InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1" . "Oc1cccc(c1)c1nc(N2CCOCC2)c2c(n1)c1cccnc1o2" . "Oc1cccc(c1)c1nc(N2CCOCC2)c2c(n1)c1cccnc1o2" . "TUVCWJQQGGETHL-UHFFFAOYSA-N" . "InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2" . "O=C1Nc2c(C1=Cc1[nH]c(c(c1C)C(=O)N1CCCC1CN1CCCC1)C)cc(cc2)S(=O)(=O)Cc1c(Cl)cccc1Cl" . "O=C1Nc2c(/C/1=C/c1[nH]c(c(c1C)C(=O)N1CCC[C@@H]1CN1CCCC1)C)cc(cc2)S(=O)(=O)Cc1c(Cl)cccc1Cl" . "OYONTEXKYJZFHA-SSHUPFPWSA-N" . "InChI=1S/C32H34Cl2N4O4S/c1-19-29(35-20(2)30(19)32(40)38-14-6-7-21(38)17-37-12-3-4-13-37)16-24-23-15-22(10-11-28(23)36-31(24)39)43(41,42)18-25-26(33)8-5-9-27(25)34/h5,8-11,15-16,21,35H,3-4,6-7,12-14,17-18H2,1-2H3,(H,36,39)/b24-16-/t21-/m1/s1" . "CSc1cccc(c1)Nc1ncc2c(n1)n(C)c(=O)c(c2)c1c(Cl)cccc1Cl" . "CSc1cccc(c1)Nc1ncc2c(n1)n(C)c(=O)c(c2)c1c(Cl)cccc1Cl" . "VAARYSWULJUGST-UHFFFAOYSA-N" . "InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)" . "CN(c1ccc2c(c1)nn(c2C)C)c1ccnc(n1)Nc1ccc(c(c1)S(=O)(=O)N)C" . "CN(c1ccc2c(c1)nn(c2C)C)c1ccnc(n1)Nc1ccc(c(c1)S(=O)(=O)N)C" . "CUIHSIWYWATEQL-UHFFFAOYSA-N" . "InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)" . "Cc1ncn(c1)c1cc(NC(=O)c2ccc(c(c2)Nc2nccc(n2)c2cccnc2)C)cc(c1)C(F)(F)F" . "Cc1ncn(c1)c1cc(NC(=O)c2ccc(c(c2)Nc2nccc(n2)c2cccnc2)C)cc(c1)C(F)(F)F" . "HHZIURLSWUIHRB-UHFFFAOYSA-N" . "InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)" . "Clc1ccc2c(c1)C(=NCc1c2nc(nc1)Nc1ccc(cc1)C(=O)O)c1c(F)cccc1F" . "Clc1ccc2c(c1)C(=NCc1c2nc(nc1)Nc1ccc(cc1)C(=O)O)c1c(F)cccc1F" . "HHFBDROWDBDFBR-UHFFFAOYSA-N" . "InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)" . "COc1cc2c(cc1OCCCN1CCCCC1)nccc2N1CCN(CC1)C(=O)Nc1ccc(cc1)OC(C)C" . "COc1cc2c(cc1OCCCN1CCCCC1)nccc2N1CCN(CC1)C(=O)Nc1ccc(cc1)OC(C)C" . "SGVQMZVRLBDVCF-UHFFFAOYSA-N" . "InChI=1S/C32H43N5O4/c1-24(2)41-26-10-8-25(9-11-26)34-32(38)37-19-17-36(18-20-37)29-12-13-33-28-23-31(30(39-3)22-27(28)29)40-21-7-16-35-14-5-4-6-15-35/h8-13,22-24H,4-7,14-21H2,1-3H3,(H,34,38)" . "COc1c(Cl)cc2c(c1NC(=O)c1cccnc1C)[nH]c1c2ccnc1" . "COc1c(Cl)cc2c(c1NC(=O)c1cccnc1C)[nH]c1c2ccnc1" . "ZNOLRTPMNMPLHY-UHFFFAOYSA-N" . "InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)" . "O=C1NC(=O)C(=C1c1cn(c2c1cccc2)C1CCN(CC1)Cc1ccccn1)c1cn(c2c1cccc2)C" . "O=C1NC(=O)C(=C1c1cn(c2c1cccc2)C1CCN(CC1)Cc1ccccn1)c1cn(c2c1cccc2)C" . "AXRCEOKUDYDWLF-UHFFFAOYSA-N" . "InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39)" . "Fc1cccc(c1)COc1ccc(cc1Cl)Nc1ncnc2c1cc(cc2)c1ccc(o1)CNCCS(=O)(=O)C" . "Fc1cccc(c1)COc1ccc(cc1Cl)Nc1ncnc2c1cc(cc2)c1ccc(o1)CNCCS(=O)(=O)C" . "BCFGMOOMADDAQU-UHFFFAOYSA-N" . "InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)" . "O=C(c1ccc(cc1)C=Cc1[nH]nc2c1cccc2)N1CCNCC1" . "O=C(c1ccc(cc1)/C=C/c1[nH]nc2c1cccc2)N1CCNCC1" . "YYLKKYCXAOBSRM-JXMROGBWSA-N" . "InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+" . "COc1cc(ccc1NC(=O)NC(c1nccs1)C)Oc1ccnc2c1cc(OC)c(c2)OC" . "COc1cc(ccc1NC(=O)NC(c1nccs1)C)Oc1ccnc2c1cc(OC)c(c2)OC" . "SHPFDGWALWEPGS-UHFFFAOYSA-N" . "InChI=1S/C24H24N4O5S/c1-14(23-26-9-10-34-23)27-24(29)28-17-6-5-15(11-20(17)30-2)33-19-7-8-25-18-13-22(32-4)21(31-3)12-16(18)19/h5-14H,1-4H3,(H2,27,28,29)" . "N#Cc1c[nH]c(n1)C(=O)Nc1ccc(cc1C1=CCCCC1)C1CCN(CC1)C(=O)CN(C)C" . "N#Cc1c[nH]c(n1)C(=O)Nc1ccc(cc1C1=CCCCC1)C1CCN(CC1)C(=O)CN(C)C" . "GUBJNPWVIUFSTR-UHFFFAOYSA-N" . "InChI=1S/C26H32N6O2/c1-31(2)17-24(33)32-12-10-18(11-13-32)20-8-9-23(22(14-20)19-6-4-3-5-7-19)30-26(34)25-28-16-21(15-27)29-25/h6,8-9,14,16,18H,3-5,7,10-13,17H2,1-2H3,(H,28,29)(H,30,34)" . "CN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccc(c(c1)Nc1nccc(n1)c1cccnc1)C" . "CN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccc(c(c1)Nc1nccc(n1)c1cccnc1)C" . "KTUFNOKKBVMGRW-UHFFFAOYSA-N" . "InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)" . "CCOc1cc2ncc(c(c2cc1NC(=O)C=CCN(C)C)Nc1ccc(c(c1)Cl)OCc1ccccn1)C#N" . "CCOc1cc2ncc(c(c2cc1NC(=O)/C=C/CN(C)C)Nc1ccc(c(c1)Cl)OCc1ccccn1)C#N" . "JWNPDZNEKVCWMY-VQHVLOKHSA-N" . "InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+" . "COc1cc(ccc1OCc1ccc(cc1)OC)Cc1cnc(nc1N)N" . "COc1cc(ccc1OCc1ccc(cc1)OC)Cc1cnc(nc1N)N" . "MYQAUKPBNJWPIE-UHFFFAOYSA-N" . "InChI=1S/C20H22N4O3/c1-25-16-6-3-13(4-7-16)12-27-17-8-5-14(10-18(17)26-2)9-15-11-23-20(22)24-19(15)21/h3-8,10-11H,9,12H2,1-2H3,(H4,21,22,23,24)" . "CN1CCN(CC1)Cc1ccc2c(c1)n(cn2)c1cc(c(s1)C(=O)N)OC(c1ccccc1C(F)(F)F)C" . "CN1CCN(CC1)Cc1ccc2c(c1)n(cn2)c1cc(c(s1)C(=O)N)O[C@@H](c1ccccc1C(F)(F)F)C" . "ZHJGWYRLJUCMRT-QGZVFWFLSA-N" . "InChI=1S/C27H28F3N5O2S/c1-17(19-5-3-4-6-20(19)27(28,29)30)37-23-14-24(38-25(23)26(31)36)35-16-32-21-8-7-18(13-22(21)35)15-34-11-9-33(2)10-12-34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,31,36)/t17-/m1/s1" . "CNC(=O)c1c(cccc1F)Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)nc2c1cc[nH]2" . "CNC(=O)c1c(cccc1F)Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)nc2c1cc[nH]2" . "HZTYDQRUAWIZRE-UHFFFAOYSA-N" . "InChI=1S/C27H29FN8O3/c1-29-26(38)23-17(28)6-5-7-18(23)31-25-16-8-10-30-24(16)33-27(34-25)32-19-13-20-15(12-21(19)39-4)9-11-36(20)22(37)14-35(2)3/h5-8,10,12-13H,9,11,14H2,1-4H3,(H,29,38)(H3,30,31,32,33,34)" . "CS(=O)(=O)N1CCN(CC1)Cc1cc2c(s1)c(nc(n2)c1cccc2c1cn[nH]2)N1CCOCC1" . "CS(=O)(=O)N1CCN(CC1)Cc1cc2c(s1)c(nc(n2)c1cccc2c1cn[nH]2)N1CCOCC1" . "LHNIIDJUOCFXAP-UHFFFAOYSA-N" . "InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)" . "OCCn1cc(c(n1)c1ccncc1)c1ccc2c(c1)CCC2=NO" . "OCCn1cc(c(n1)c1ccncc1)c1ccc2c(c1)CC/C/2=N/O" . "DEZZLWQELQORIU-RELWKKBWSA-N" . "InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,24-25H,2,4,9-10H2/b22-18+" . "CN1CCC(C(C1)O)c1c(O)cc(c2c1oc(cc2=O)c1ccccc1Cl)O" . "CN1CC[C@@H]([C@@H](C1)O)c1c(O)cc(c2c1oc(cc2=O)c1ccccc1Cl)O" . "BIIVYFLTOXDAOV-YVEFUNNKSA-N" . "InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1" . "COc1cc2c(ccnc2cc1OCCCN1CCOCC1)Oc1ccc(cc1F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F" . "COc1cc2c(ccnc2cc1OCCCN1CCOCC1)Oc1ccc(cc1F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F" . "CXQHYVUVSFXTMY-UHFFFAOYSA-N" . "InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)" . "OC(=O)CCC(C(=O)O)N" . "OC(=O)CC[C@@H](C(=O)O)N" . "WHUUTDBJXJRKMK-VKHMYHEASA-N" . "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1" . "OCCN1CCN(CC1)c1cc(nc(n1)C)Nc1ncc(s1)C(=O)Nc1c(C)cccc1Cl" . "OCCN1CCN(CC1)c1cc(nc(n1)C)Nc1ncc(s1)C(=O)Nc1c(C)cccc1Cl" . "ZBNZXTGUTAYRHI-UHFFFAOYSA-N" . "InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)" . "N#CCC(=O)N1CCC(C(C1)N(c1ncnc2c1cc[nH]2)C)C" . "N#CCC(=O)N1CC[C@H]([C@H](C1)N(c1ncnc2c1cc[nH]2)C)C" . "UJLAWZDWDVHWOW-YPMHNXCESA-N" . "InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1" . "Ic1ccc(c(c1)Cl)Nc1c(ccc(c1F)F)C(=O)NOCC1CC1" . "Ic1ccc(c(c1)Cl)Nc1c(ccc(c1F)F)C(=O)NOCC1CC1" . "GFMMXOIFOQCCGU-UHFFFAOYSA-N" . "InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)" . "C=CC(=O)Nc1cc2c(ncnc2cc1OCCCN1CCOCC1)Nc1ccc(c(c1)Cl)F" . "C=CC(=O)Nc1cc2c(ncnc2cc1OCCCN1CCOCC1)Nc1ccc(c(c1)Cl)F" . "OMZCMEYTWSXEPZ-UHFFFAOYSA-N" . "InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)" . "Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2c1ccc(c2)Oc1ccnc(c1)c1[nH]cc(n1)C(F)(F)F" . "Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2c1ccc(c2)Oc1ccnc(c1)c1[nH]cc(n1)C(F)(F)F" . "YABJJWZLRMPFSI-UHFFFAOYSA-N" . "InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)" . "OCC1(O)CC2OC1(C)n1c3c4n2c2ccccc2c4c2c(c3c3c1cccc3)CNC2=O" . "OC[C@@]1(O)C[C@H]2O[C@]1(C)n1c3c4n2c2ccccc2c4c2c(c3c3c1cccc3)CNC2=O" . "UIARLYUEJFELEN-LROUJFHJSA-N" . "InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1" . "CC(COc1cn2c(c1C)c(ncn2)Oc1ccc2c(c1F)cc([nH]2)C)O" . "C[C@H](COc1cn2c(c1C)c(ncn2)Oc1ccc2c(c1F)cc([nH]2)C)O" . "WCWUXEGQKLTGDX-LLVKDONJSA-N" . "InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1" . "O=C(C1CCNCC1)Nc1ncc(s1)SCc1ncc(o1)C(C)(C)C" . "O=C(C1CCNCC1)Nc1ncc(s1)SCc1ncc(o1)C(C)(C)C" . "OUSFTKFNBAZUKL-UHFFFAOYSA-N" . "InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)" . "NCCNc1nc2ccc(cc2n2c1ncc2C)C" . "NCCNc1nc2ccc(cc2n2c1ncc2C)C" . "PSPFQEBFYXJZEV-UHFFFAOYSA-N" . "InChI=1S/C14H17N5/c1-9-3-4-11-12(7-9)19-10(2)8-17-14(19)13(18-11)16-6-5-15/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18)" . "O=C(Nc1cc(nn1c1ccc(cc1)C)C(C)(C)C)Nc1ccc(c2c1cccc2)OCCN1CCOCC1" . "O=C(Nc1cc(nn1c1ccc(cc1)C)C(C)(C)C)Nc1ccc(c2c1cccc2)OCCN1CCOCC1" . "MVCOAUNKQVWQHZ-UHFFFAOYSA-N" . "InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)" . "CN(CC=CC(=O)Nc1cc2c(ncnc2cc1OC1COCC1)Nc1ccc(c(c1)Cl)F)C" . "CN(C/C=C/C(=O)Nc1cc2c(ncnc2cc1O[C@@H]1COCC1)Nc1ccc(c(c1)Cl)F)C" . "ULXXDDBFHOBEHA-CWDCEQMOSA-N" . "InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1" . "CCC1N(C2CCCC2)c2nc(ncc2N(C1=O)C)Nc1ccc(cc1OC)C(=O)NC1CCN(CC1)C" . "CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C1=O)C)Nc1ccc(cc1OC)C(=O)NC1CCN(CC1)C" . "XQVVPGYIWAGRNI-JOCHJYFZSA-N" . "InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1" . "OCCONC(=O)c1cc2n(C)cnc2c(c1Nc1ccc(cc1Cl)Br)F" . "OCCONC(=O)c1cc2n(C)cnc2c(c1Nc1ccc(cc1Cl)Br)F" . "CYOHGALHFOKKQC-UHFFFAOYSA-N" . "InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)" . "COc1cc2c(ncnc2cc1OCCCN1CCCC1)Oc1ccc2c(c1F)cc([nH]2)C" . "COc1cc2c(ncnc2cc1OCCCN1CCCC1)Oc1ccc2c(c1F)cc([nH]2)C" . "XXJWYDDUDKYVKI-UHFFFAOYSA-N" . "InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3" . "OCCN(CCCOc1ccc2c(c1)ncnc2Nc1[nH]nc(c1)CC(=O)Nc1cccc(c1)F)CC" . "OCCN(CCCOc1ccc2c(c1)ncnc2Nc1[nH]nc(c1)CC(=O)Nc1cccc(c1)F)CC" . "QYZOGCMHVIGURT-UHFFFAOYSA-N" . "InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33)" . "O=C(c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl)NC1CCNCC1" . "O=C(c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl)NC1CCNCC1" . "OVPNQJVDAFNBDN-UHFFFAOYSA-N" . "InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)" . "CCN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)Nc1ccc(cc1)Oc1ncnc(c1)NC" . "CCN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)Nc1ccc(cc1)Oc1ncnc(c1)NC" . "ODPGGGTTYSGTGO-UHFFFAOYSA-N" . "InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)" . "O=C(c1cccnc1NCc1ccncc1)Nc1ccc2c(c1)NCC2(C)C" . "O=C(c1cccnc1NCc1ccncc1)Nc1ccc2c(c1)NCC2(C)C" . "RAHBGWKEPAQNFF-UHFFFAOYSA-N" . "InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28)" . "CNC(=O)c1ccccc1Sc1ccc2c(c1)[nH]nc2C=Cc1ccccn1" . "CNC(=O)c1ccccc1Sc1ccc2c(c1)[nH]nc2/C=C/c1ccccn1" . "RITAVMQDGBJQJZ-FMIVXFBMSA-N" . "InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+" . "O=C(Nc1noc(c1)C(C)(C)C)Nc1ccc(cc1)c1cn2c(n1)sc1c2ccc(c1)OCCN1CCOCC1" . "O=C(Nc1noc(c1)C(C)(C)C)Nc1ccc(cc1)c1cn2c(n1)sc1c2ccc(c1)OCCN1CCOCC1" . "CVWXJKQAOSCOAB-UHFFFAOYSA-N" . "InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)" . "CN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccc(c(c1)Nc1scc(n1)c1cccnc1)C" . "CN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccc(c(c1)Nc1scc(n1)c1cccnc1)C" . "WJEOLQLKVOPQFV-UHFFFAOYSA-N" . "InChI=1S/C28H30N6OS/c1-20-5-10-24(16-25(20)31-28-32-26(19-36-28)23-4-3-11-29-17-23)30-27(35)22-8-6-21(7-9-22)18-34-14-12-33(2)13-15-34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32)" . "NC(Cc1ccccc1)COc1cncc(c1)c1ccc2c(c1)c(C)n[nH]2" . "N[C@@H](Cc1ccccc1)COc1cncc(c1)c1ccc2c(c1)c(C)n[nH]2" . "BPNUQXPIQBZCMR-IBGZPJMESA-N" . "InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C)C)C)C)CC(C)C)CO)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(C)C)N)CCCN=C(N)N)CCC(=O)N)Cc1ccccc1)CC(C)C)CCC(=O)N " . "CC(C)C[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O" . "QMXYKUFZQPEQES-UZSBMYCGSA-N" . "InChI=1S/C64H109N19O17/c1-32(2)27-40(66)54(90)76-42(20-16-26-71-64(69)70)55(91)78-44(22-24-50(68)86)58(94)82-47(30-39-17-12-11-13-18-39)61(97)80-46(29-34(5)6)60(96)79-43(21-23-49(67)85)57(93)77-41(19-14-15-25-65)56(92)83-48(31-84)62(98)81-45(28-33(3)4)59(95)74-37(9)52(88)72-35(7)51(87)73-36(8)53(89)75-38(10)63(99)100/h11-13,17-18,32-38,40-48,84H,14-16,19-31,65-66H2,1-10H3,(H2,67,85)(H2,68,86)(H,72,88)(H,73,87)(H,74,95)(H,75,89)(H,76,90)(H,77,93)(H,78,91)(H,79,96)(H,80,97)(H,81,98)(H,82,94)(H,83,92)(H,99,100)(H4,69,70,71)/t35-,36-,37-,38-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1" . "O=N(=O)c1c(ncnc1N1CCC(CC1)c1onc(n1)C(C)C)Nc1ccc(cc1F)S(=O)(=O)C" . "O=N(=O)c1c(ncnc1N1CCC(CC1)c1onc(n1)C(C)C)Nc1ccc(cc1F)S(=O)(=O)C" . "DGBKNTVAKIFYNU-UHFFFAOYSA-N" . "InChI=1S/C21H24FN7O5S/c1-12(2)18-26-21(34-27-18)13-6-8-28(9-7-13)20-17(29(30)31)19(23-11-24-20)25-16-5-4-14(10-15(16)22)35(3,32)33/h4-5,10-13H,6-9H2,1-3H3,(H,23,24,25)" . "[O-]P(=O)(OCCN)OCC(COC(=O)C)O" . "[O-]P(=O)(OCCN)OC[C@@H](COC(=O)C)O" . "CWRILEGKIAOYKP-SSDOTTSWSA-M" . "InChI=1S/C7H16NO7P/c1-6(9)13-4-7(10)5-15-16(11,12)14-3-2-8/h7,10H,2-5,8H2,1H3,(H,11,12)/p-1/t7-/m1/s1" . "CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC[N+](C)(C)C)[O-])O" . "CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OCC[N+](C)(C)C)[O-])O" . "IHNKQIMGVNPMTC-RUZDIDTESA-N" . "InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1" . "CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC[N+](C)(C)C)[O-])O" . "CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(OCC[N+](C)(C)C)[O-])O" . "ASWBNKHCZGQVJV-QHCPKHFHSA-N" . "InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3/t23-/m0/s1" . "NC(C1CC1C(=O)O)C(=O)O" . "N[C@@H]([C@H]1C[C@@H]1C(=O)O)C(=O)O" . "GZOVEPYOCJWRFC-HZLVTQRSSA-N" . "InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)/t2-,3-,4-/m0/s1" . "CNC(=O)C12CC2C(C(C1O)O)n1cnc2c1ncnc2NCc1cccc(c1C#CCCCC(=O)O)Cl" . "CNC(=O)[C@]12C[C@@H]2[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1C#CCCCC(=O)O)Cl" . "CYQQUPOETXXUCK-CSTWGOEFSA-N" . "InChI=1S/C26H27ClN6O5/c1-28-25(38)26-10-16(26)20(21(36)22(26)37)33-13-32-19-23(30-12-31-24(19)33)29-11-14-6-5-8-17(27)15(14)7-3-2-4-9-18(34)35/h5-6,8,12-13,16,20-22,36-37H,2,4,9-11H2,1H3,(H,28,38)(H,34,35)(H,29,30,31)/t16-,20-,21+,22+,26+/m1/s1" . "OC(CC(CC(=O)O)(O)C)CCCCOP(=O)(OP(=O)(OCC=C(CCC=C(C)C)C)O)O" . "OC(CC(CC(=O)O)(O)C)CCCCOP(=O)(OP(=O)(OC/C=C(/CCC=C(C)C)/C)O)O" . "PMUQIJKCGIYWGT-GZTJUZNOSA-N" . "InChI=1S/C20H38O11P2/c1-16(2)8-7-9-17(3)11-13-30-33(27,28)31-32(25,26)29-12-6-5-10-18(21)14-20(4,24)15-19(22)23/h8,11,18,21,24H,5-7,9-10,12-15H2,1-4H3,(H,22,23)(H,25,26)(H,27,28)/b17-11+" . "CCC1Cn2c(=N1)c1[nH]c(nc1n(c2=O)C)c1ccccc1" . "CC[C@@H]1Cn2c(=N1)c1[nH]c(nc1n(c2=O)C)c1ccccc1" . "RGDHRCXUMURWBJ-LLVKDONJSA-N" . "InChI=1S/C16H17N5O/c1-3-11-9-21-15(17-11)12-14(20(2)16(21)22)19-13(18-12)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3,(H,18,19)/t11-/m1/s1" . "CCC1N=c2n(C1)c(=O)n(c1c2[nH]c(n1)c1cc(Cl)cc(c1Cl)Cl)C" . "CC[C@H]1N=c2n(C1)c(=O)n(c1c2[nH]c(n1)c1cc(Cl)cc(c1Cl)Cl)C" . "YYDHUJWLNPIBDS-MRVPVSSYSA-N" . "InChI=1S/C16H14Cl3N5O/c1-3-8-6-24-15(20-8)12-14(23(2)16(24)25)22-13(21-12)9-4-7(17)5-10(18)11(9)19/h4-5,8H,3,6H2,1-2H3,(H,21,22)/t8-/m1/s1" . "CCCn1c2nc([nH]c2c2=NCCn2c1=O)c1ccc(cc1)Br" . "CCCn1c2nc([nH]c2c2=NCCn2c1=O)c1ccc(cc1)Br" . "GYGNZJDWTHECQT-UHFFFAOYSA-N" . "InChI=1S/C16H16BrN5O/c1-2-8-21-15-12(14-18-7-9-22(14)16(21)23)19-13(20-15)10-3-5-11(17)6-4-10/h3-6H,2,7-9H2,1H3,(H,19,20)" . "n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1" . "n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1" . "YRPIMMMBNUUYLG-UHFFFAOYSA-N" . "InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)C1CC1)c1ccc(nc1)N(C(=O)c1ccc(nc1)C(F)(F)F)C" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)C1CC1)c1ccc(nc1)N(C(=O)c1ccc(nc1)C(F)(F)F)C" . "IKIXRBGOWUFFBN-UHFFFAOYSA-N" . "InChI=1S/C24H22F3N7O3/c1-3-10-33-20-18(22(36)34(23(33)37)15-6-7-15)30-19(31-20)13-5-9-17(29-11-13)32(2)21(35)14-4-8-16(28-12-14)24(25,26)27/h4-5,8-9,11-12,15H,3,6-7,10H2,1-2H3,(H,30,31)" . "CCCn1c(=O)c2nc([nH]c2n(c1=O)CC)c1cnn(c1)Cc1cccc(c1)C(F)(F)F" . "CCCn1c(=O)c2nc([nH]c2n(c1=O)CC)c1cnn(c1)Cc1cccc(c1)C(F)(F)F" . "KOYXXLLNCXWUNF-UHFFFAOYSA-N" . "InChI=1S/C21H21F3N6O2/c1-3-8-30-19(31)16-18(29(4-2)20(30)32)27-17(26-16)14-10-25-28(12-14)11-13-6-5-7-15(9-13)21(22,23)24/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,26,27)" . "COCCOc1ccc(cc1)N1CCN(CC1)CCn1ncc2c1nc(N)n1c2nc(n1)c1ccco1" . "COCCOc1ccc(cc1)N1CCN(CC1)CCn1ncc2c1nc(N)n1c2nc(n1)c1ccco1" . "DTYWJKSSUANMHD-UHFFFAOYSA-N" . "InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)" . "CCCCc1nc(N)c2c(n1)n(C)c(n2)n1nccn1" . "CCCCc1nc(N)c2c(n1)n(C)c(n2)n1nccn1" . "CYYQMAWUIRPCNW-UHFFFAOYSA-N" . "InChI=1S/C12H16N8/c1-3-4-5-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-6-7-15-20/h6-7H,3-5H2,1-2H3,(H2,13,16,17)" . "Nc1nc(c2ccco2)c2c(n1)n(nn2)Cc1ccc(c(c1)C)N" . "Nc1nc(c2ccco2)c2c(n1)n(nn2)Cc1ccc(c(c1)C)N" . "HQSBCDPYXDGTCL-UHFFFAOYSA-N" . "InChI=1S/C16H15N7O/c1-9-7-10(4-5-11(9)17)8-23-15-14(21-22-23)13(19-16(18)20-15)12-3-2-6-24-12/h2-7H,8,17H2,1H3,(H2,18,19,20)" . "COc1ccc(c2c1nc(s2)NC(=O)N1CCC(CC1)(C)O)N1CCOCC1" . "COc1ccc(c2c1nc(s2)NC(=O)N1CCC(CC1)(C)O)N1CCOCC1" . "XNBRWUQWSKXMPW-UHFFFAOYSA-N" . "InChI=1S/C19H26N4O4S/c1-19(25)5-7-23(8-6-19)18(24)21-17-20-15-14(26-2)4-3-13(16(15)28-17)22-9-11-27-12-10-22/h3-4,25H,5-12H2,1-2H3,(H,20,21,24)" . "OCCCn1c(=O)n(CC#C)c(=O)c2c1nc(n2C)C=Cc1cccc(c1)OC" . "OCCCn1c(=O)n(CC#C)c(=O)c2c1nc(n2C)/C=C/c1cccc(c1)OC" . "FWLDDFYHEQMIGG-MDZDMXLPSA-N" . "InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+" . "Clc1cccc(c1)C=Cc1nc2c(n1C)c(=O)n(c(=O)n2C)C" . "Clc1cccc(c1)/C=C/c1nc2c(n1C)c(=O)n(c(=O)n2C)C" . "WBWFIUAVMCNYPG-BQYQJAHWSA-N" . "InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+" . "COc1cc(C=Cc2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC" . "COc1cc(/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3CC)CC)ccc1OC" . "IQVRBWUUXZMOPW-PKNBQFBNSA-N" . "InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+" . "C1CCC(CC1)c1nc2c([nH]1)nc(cc2c1ccccc1)c1ccccc1" . "C1CCC(CC1)c1nc2c([nH]1)nc(cc2c1ccccc1)c1ccccc1" . "DXBBMCIVYYJMJC-UHFFFAOYSA-N" . "InChI=1S/C24H23N3/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)25-24-22(20)26-23(27-24)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,25,26,27)" . "OCCC1CCCCN1C(=O)C=Cc1c(nn2c1cccc2)c1ccccc1" . "OCC[C@H]1CCCCN1C(=O)/C=C/c1c(nn2c1cccc2)c1ccccc1" . "OPLOPFHUHFGKMJ-JXOMPUQVSA-N" . "InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m1/s1" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CCC(CC1)(CC2)CCC(=O)O" . "ZWTVVWUOTJRXKM-UHFFFAOYSA-N" . "InChI=1S/C22H32N4O4/c1-3-13-25-17-16(18(29)26(14-4-2)20(25)30)23-19(24-17)22-10-7-21(8-11-22,9-12-22)6-5-15(27)28/h3-14H2,1-2H3,(H,23,24)(H,27,28)" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CC3CC2CC(C1)C3" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C12CC3CC2CC(C1)C3" . "PJBFVWGQFLYWCB-UHFFFAOYSA-N" . "InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)" . "FCCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1" . "[18F]CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1" . "GGGMDKJPUXTDAW-SJPDSGJFSA-N" . "InChI=1S/C16H23FN4O2/c1-2-9-21-15(22)12-14(20(16(21)23)10-5-8-17)19-13(18-12)11-6-3-4-7-11/h11H,2-10H2,1H3,(H,18,19)/i17-1" . "CNC(=O)C12CC2C(C(C1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)Cl" . "CNC(=O)[C@]12C[C@@H]2[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)Cl" . "GAYWHRPOIWFKIF-DDDALXFXSA-N" . "InChI=1S/C20H20Cl2N6O3/c1-23-18(31)20-6-11(20)13(14(29)15(20)30)28-8-25-12-16(26-19(22)27-17(12)28)24-7-9-3-2-4-10(21)5-9/h2-5,8,11,13-15,29-30H,6-7H2,1H3,(H,23,31)(H,24,26,27)/t11-,13-,14+,15+,20+/m1/s1" . "CNC(=O)C1OC(C(C1O)O)n1cnc2c1nc(C#Cc1ccccc1)nc2NC" . "CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(C#Cc1ccccc1)nc2NC" . "PAFSPMXSTBOTSN-KSVNGYGVSA-N" . "InChI=1S/C20H20N6O4/c1-21-17-13-18(25-12(24-17)9-8-11-6-4-3-5-7-11)26(10-23-13)20-15(28)14(27)16(30-20)19(29)22-2/h3-7,10,14-16,20,27-28H,1-2H3,(H,22,29)(H,21,24,25)/t14-,15+,16-,20+/m0/s1" . "CCCCC#Cc1nc(NC)c2c(n1)n(cn2)C1OC(C(C1O)O)CO" . "CCCCC#Cc1nc(NC)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO" . "KOCIMZNSNPOGOP-IWCJZZDYSA-N" . "InChI=1S/C17H23N5O4/c1-3-4-5-6-7-11-20-15(18-2)12-16(21-11)22(9-19-12)17-14(25)13(24)10(8-23)26-17/h9-10,13-14,17,23-25H,3-5,8H2,1-2H3,(H,18,20,21)/t10-,13-,14-,17-/m1/s1" . "CNC(=O)C1OC(C(C1N)O)n1cnc2c1ncnc2NCc1cc(Cl)ccc1COc1onc(c1)C" . "CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1N)O)n1cnc2c1ncnc2NCc1cc(Cl)ccc1COc1onc(c1)C" . "KXDJDMIUJGBFAV-QYUDBREXSA-N" . "InChI=1S/C23H25ClN8O5/c1-11-5-15(37-31-11)35-8-12-3-4-14(24)6-13(12)7-27-20-17-21(29-9-28-20)32(10-30-17)23-18(33)16(25)19(36-23)22(34)26-2/h3-6,9-10,16,18-19,23,33H,7-8,25H2,1-2H3,(H,26,34)(H,27,28,29)/t16-,18+,19-,23+/m0/s1" . "OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)n1ncc(c1)C(=O)NC" . "LZPZPHGJDAGEJZ-AKAIJSEGSA-N" . "InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1" . "OCC1OC(C(C1O)O)n1cnc2c1nc(NN=CC1CCCCC1)nc2N" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N/N=C/C1CCCCC1)nc2N" . "XJFMHMFFBSOEPR-DNZQAUTHSA-N" . "InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h6,8-10,12-13,16,25-27H,1-5,7H2,(H3,18,21,22,23)/b20-6+/t10-,12-,13-,16-/m1/s1" . "COC(=O)N1CCC(CC1)CC#Cc1nc(N)c2c(n1)n(cn2)C1OC(C(C1O)O)C(=O)NC1CC1" . "COC(=O)N1CCC(CC1)CC#Cc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)C(=O)NC1CC1" . "SQJXTUJMBYVDBB-RQXXJAGISA-N" . "InChI=1S/C23H29N7O6/c1-35-23(34)29-9-7-12(8-10-29)3-2-4-14-27-19(24)15-20(28-14)30(11-25-15)22-17(32)16(31)18(36-22)21(33)26-13-5-6-13/h11-13,16-18,22,31-32H,3,5-10H2,1H3,(H,26,33)(H2,24,27,28)/t16-,17+,18-,22+/m0/s1" . "OC1C(O)C(OC1n1cnc2c1ncnc2NC1CCCC1O)CSc1ccccc1F" . "O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N[C@@H]1CCC[C@H]1O)CSc1ccccc1F" . "IZRXENCTXNMAMI-DIJFLQFKSA-N" . "InChI=1S/C21H24FN5O4S/c22-11-4-1-2-7-15(11)32-8-14-17(29)18(30)21(31-14)27-10-25-16-19(23-9-24-20(16)27)26-12-5-3-6-13(12)28/h1-2,4,7,9-10,12-14,17-18,21,28-30H,3,5-6,8H2,(H,23,24,26)/t12-,13-,14-,17-,18-,21-/m1/s1" . "OCC1OC(C(C1O)O)n1cnc2c1ncnc2NC1COCC1" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@H]1COCC1" . "OESBDSFYJMDRJY-BAYCTPFLSA-N" . "InChI=1S/C14H19N5O5/c20-3-8-10(21)11(22)14(24-8)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-23-4-7/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18)/t7-,8-,10-,11-,14-/m1/s1" . "OCC1OC(C(C1O)(C)O)n1cnc2c1nc(Cl)nc2NC1CCCC1" . "OC[C@H]1O[C@H]([C@]([C@@H]1O)(C)O)n1cnc2c1nc(Cl)nc2NC1CCCC1" . "MMPAUXMIDJWGFO-ROMFRFKVSA-N" . "InChI=1S/C16H22ClN5O4/c1-16(25)11(24)9(6-23)26-14(16)22-7-18-10-12(19-8-4-2-3-5-8)20-15(17)21-13(10)22/h7-9,11,14,23-25H,2-6H2,1H3,(H,19,20,21)/t9-,11-,14-,16-/m1/s1" . "Fc1ccc(cc1)N1CCN(CC1)CCCN1c2cccc3c2c(S1(=O)=O)ccc3" . "Fc1ccc(cc1)N1CCN(CC1)CCCN1c2cccc3c2c(S1(=O)=O)ccc3" . "VGIGHGMPMUCLIQ-UHFFFAOYSA-N" . "InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2" . "OCC1OC(C(C1O)O)n1cnc2c1nc(NN=NC(=O)Nc1ccccc1)nc2NC1CCCC1" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N/N=N/C(=O)Nc1ccccc1)nc2NC1CCCC1" . "RZJAODYQRFMAKN-WVSUBDOOSA-N" . "InChI=1S/C22H27N9O5/c32-10-14-16(33)17(34)20(36-14)31-11-23-15-18(24-12-8-4-5-9-12)26-21(27-19(15)31)28-30-29-22(35)25-13-6-2-1-3-7-13/h1-3,6-7,11-12,14,16-17,20,32-34H,4-5,8-10H2,(H3,24,25,26,27,28,29,35)/t14-,16-,17-,20-/m1/s1" . "COc1cc(C)c(c(c1CC=C(CCC=C(CCC=C(C)C)C)C)O)C(=O)O" . "COc1cc(C)c(c(c1C/C=C(/CC/C=C(/CCC=C(C)C)/C)/C)O)C(=O)O" . "ARZABMWMUVWDJX-OUBUNXTGSA-N" . "InChI=1S/C24H34O4/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-20-21(28-6)15-19(5)22(23(20)25)24(26)27/h9,11,13,15,25H,7-8,10,12,14H2,1-6H3,(H,26,27)/b17-11+,18-13+" . "CC(=CCc1c(O)cc(c(c1O)C(=O)O)C)CCC=C(CCC=C(C)C)C" . "C/C(=C/Cc1c(O)cc(c(c1O)C(=O)O)C)/CC/C=C(/CCC=C(C)C)/C" . "QPIZDZGIXDKCRC-JTCWOHKRSA-N" . "InChI=1S/C23H32O4/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-20(24)14-18(5)21(22(19)25)23(26)27/h8,10,12,14,24-25H,6-7,9,11,13H2,1-5H3,(H,26,27)/b16-10+,17-12+" . "OC(=O)CCCc1ccc(cc1)OCCN(c1ccccn1)c1ccccc1" . "OC(=O)CCCc1ccc(cc1)OCCN(c1ccccn1)c1ccccc1" . "WQXHZCYCKCQFQP-UHFFFAOYSA-N" . "InChI=1S/C23H24N2O3/c26-23(27)11-6-7-19-12-14-21(15-13-19)28-18-17-25(20-8-2-1-3-9-20)22-10-4-5-16-24-22/h1-5,8-10,12-16H,6-7,11,17-18H2,(H,26,27)" . "CONC(=O)Nc1ccc(cc1)c1sc2c(c1CN(C)C)c(=O)n(c(=O)n2Cc1c(F)cccc1F)c1ccc(nn1)OC" . "CONC(=O)Nc1ccc(cc1)c1sc2c(c1CN(C)C)c(=O)n(c(=O)n2Cc1c(F)cccc1F)c1ccc(nn1)OC" . "AOMXMOCNKJTRQP-UHFFFAOYSA-N" . "InChI=1S/C29H27F2N7O5S/c1-36(2)14-19-24-26(39)38(22-12-13-23(42-3)34-33-22)29(41)37(15-18-20(30)6-5-7-21(18)31)27(24)44-25(19)16-8-10-17(11-9-16)32-28(40)35-43-4/h5-13H,14-15H2,1-4H3,(H2,32,35,40)" . "CCCCCCCCCCC(=O)O" . "CCCCCCCCCCC(=O)O" . "ZDPHROOEEOARMN-UHFFFAOYSA-N" . "InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)" . "OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N)C)CCCCNC(C)C)CC(C)C)Cc1ccc(cc1)NC(=O)N)Cc1ccc(cc1)NC(=O)C1CC(=O)NC(=O)N1)NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc2c(c1)cccc2)NC(=O)C)Cc1ccc(cc1)Cl)Cc1cccnc1" . "OC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)N)C)CCCCNC(C)C)CC(C)C)Cc1ccc(cc1)NC(=O)N)Cc1ccc(cc1)NC(=O)[C@@H]1CC(=O)NC(=O)N1)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc2c(c1)cccc2)NC(=O)C)Cc1ccc(cc1)Cl)Cc1cccnc1" . "MEUCPCLKGZSHTA-XYAYPHGZSA-N" . "InChI=1S/C82H103ClN18O16/c1-45(2)35-60(72(107)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-74(109)63(38-51-23-30-58(31-24-51)91-81(85)116)95-76(111)64(39-50-21-28-57(29-22-50)90-71(106)66-42-69(104)100-82(117)99-66)97-78(113)67(44-102)98-77(112)65(41-53-13-11-32-86-43-53)96-75(110)62(37-49-19-26-56(83)27-20-49)94-73(108)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,91,116)(H2,99,100,104,117)/t47-,59+,60+,61-,62-,63-,64+,65-,66+,67+,68+/m1/s1" . "Cc1cc(C)cc(c1)c1[nH]c2c(c1C(CNCCc1ccncc1)C)cc(cc2)C(C(=O)N1CC2CCC1CC2)(C)C" . "Cc1cc(C)cc(c1)c1[nH]c2c(c1[C@@H](CNCCc1ccncc1)C)cc(cc2)C(C(=O)N1CC2CCC1CC2)(C)C" . "GGVFLXSCFPVLMS-WPCLDFDBSA-N" . "InChI=1S/C37H46N4O/c1-24-18-25(2)20-29(19-24)35-34(26(3)22-39-17-14-27-12-15-38-16-13-27)32-21-30(8-11-33(32)40-35)37(4,5)36(42)41-23-28-6-9-31(41)10-7-28/h8,11-13,15-16,18-21,26,28,31,39-40H,6-7,9-10,14,17,22-23H2,1-5H3/t26-,28?,31?/m1/s1" . "CC(c1ccc(cc1)c1[nH]c2c(n1)cccc2N1CCN(CC1)Cc1ccc2c(c1)nccn2)(C)C" . "CC(c1ccc(cc1)c1[nH]c2c(n1)cccc2N1CCN(CC1)Cc1ccc2c(c1)nccn2)(C)C" . "AVEVJMZJJJDOCI-UHFFFAOYSA-N" . "InChI=1S/C30H32N6/c1-30(2,3)23-10-8-22(9-11-23)29-33-25-5-4-6-27(28(25)34-29)36-17-15-35(16-18-36)20-21-7-12-24-26(19-21)32-14-13-31-24/h4-14,19H,15-18,20H2,1-3H3,(H,33,34)" . "CCNC(=O)NS(=O)(=O)c1sc(cc1c1ccc(cc1)Cn1c(nc(c1C=O)OC)c1ccccc1)CC(C)C" . "CCNC(=O)NS(=O)(=O)c1sc(cc1c1ccc(cc1)Cn1c(nc(c1C=O)OC)c1ccccc1)CC(C)C" . "QTOZBSNPDCWHPV-UHFFFAOYSA-N" . "InChI=1S/C29H32N4O5S2/c1-5-30-29(35)32-40(36,37)28-24(16-23(39-28)15-19(2)3)21-13-11-20(12-14-21)17-33-25(18-34)27(38-4)31-26(33)22-9-7-6-8-10-22/h6-14,16,18-19H,5,15,17H2,1-4H3,(H2,30,32,35)" . "CCC(C(C(=O)NC(C(=O)N1CCCC1C(=O)O)Cc1nc[nH]c1)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(CC(=O)O)N)CCCN=C(N)N)Cc1ccc(cc1)O)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)O" . "PVHLMTREZMEJCG-GDTLVBQBSA-N" . "InChI=1S/C41H62N12O11/c1-5-22(4)33(38(61)50-29(17-24-19-45-20-47-24)39(62)53-15-7-9-30(53)40(63)64)52-36(59)28(16-23-10-12-25(54)13-11-23)49-37(60)32(21(2)3)51-35(58)27(8-6-14-46-41(43)44)48-34(57)26(42)18-31(55)56/h10-13,19-22,26-30,32-33,54H,5-9,14-18,42H2,1-4H3,(H,45,47)(H,48,57)(H,49,60)(H,50,61)(H,51,58)(H,52,59)(H,55,56)(H,63,64)(H4,43,44,46)/t22-,26-,27-,28-,29-,30-,32-,33-/m0/s1" . "OC(=O)C(Cc1c[nH]c2c1ccc(c2)F)N" . "OC(=O)C(Cc1c[nH]c2c1ccc(c2)F)N" . "YMEXGEAJNZRQEH-UHFFFAOYSA-N" . "InChI=1S/C11H11FN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)" . "O=C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OS(=O)(=O)[O-]" . "O=C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OS(=O)(=O)[O-]" . "CZWCKYRVOZZJNM-USOAJAOKSA-M" . "InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/p-1/t13-,14-,15-,16-,18-,19-/m0/s1" . "COc1cc(CCNCC(COc2ccc(c(c2)O)O)O)ccc1OC" . "COc1cc(CCNCC(COc2ccc(c(c2)O)O)O)ccc1OC" . "RFNBEBPVKCJZPV-UHFFFAOYSA-N" . "InChI=1S/C19H25NO6/c1-24-18-6-3-13(9-19(18)25-2)7-8-20-11-14(21)12-26-15-4-5-16(22)17(23)10-15/h3-6,9-10,14,20-23H,7-8,11-12H2,1-2H3" . "CCCCCCC(c1ccc(c(c1)O)C1CC(O)CCC1CCCO)(C)C" . "CCCCCCC(c1ccc(c(c1)O)C1CC(O)CCC1CCCO)(C)C" . "YNZFFALZMRAPHQ-UHFFFAOYSA-N" . "InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3" . "CCCCCCC(c1ccc(c(c1)O)C1CC(O)CC2C1CC(CO)CC2)(C)C" . "CCCCCCC(c1ccc(c(c1)O)[C@@H]1C[C@H](O)C[C@H]2[C@H]1C[C@@H](CO)CC2)(C)C" . "ZAELPWSCABXXAB-NWXGMGMZSA-N" . "InChI=1S/C26H42O3/c1-4-5-6-7-12-26(2,3)20-10-11-22(25(29)15-20)24-16-21(28)14-19-9-8-18(17-27)13-23(19)24/h10-11,15,18-19,21,23-24,27-29H,4-9,12-14,16-17H2,1-3H3/t18-,19-,21+,23+,24-/m0/s1" . "CCCCCC=CC=CC(CCCCCCCC(=O)O)O" . "CCCCC/C=C/C=C/[C@H](CCCCCCCC(=O)O)O" . "NPDSHTNEKLQQIJ-UINYOVNOSA-N" . "InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m1/s1" . "CCCCCCCCCC(=O)O" . "CCCCCCCCCC(=O)O" . "GHVNFZFCNZKVNT-UHFFFAOYSA-N" . "InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)" . "O=C(c1cc(ccc1N1CCCC1)S(=O)(=O)N(C)C)N1CCN(CC1)c1cccc(c1C)C" . "O=C(c1cc(ccc1N1CCCC1)S(=O)(=O)N(C)C)N1CCN(CC1)c1cccc(c1C)C" . "VRSJAHQGJHDACS-UHFFFAOYSA-N" . "InChI=1S/C25H34N4O3S/c1-19-8-7-9-23(20(19)2)28-14-16-29(17-15-28)25(30)22-18-21(33(31,32)26(3)4)10-11-24(22)27-12-5-6-13-27/h7-11,18H,5-6,12-17H2,1-4H3" . "COc1ccc2c(c1)n1c(SCC(=O)Nc3scc(n3)c3ccc(cc3)F)nnc1c(c2)C" . "COc1ccc2c(c1)n1c(SCC(=O)Nc3scc(n3)c3ccc(cc3)F)nnc1c(c2)C" . "NQAXYXKWUOWLNN-UHFFFAOYSA-N" . "InChI=1S/C23H18FN5O2S2/c1-13-9-15-5-8-17(31-2)10-19(15)29-21(13)27-28-23(29)33-12-20(30)26-22-25-18(11-32-22)14-3-6-16(24)7-4-14/h3-11H,12H2,1-2H3,(H,25,26,30)" . "COc1ccccc1C=CC(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(c1ccccc1)C" . "COc1ccccc1/C=C/C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(c1ccccc1)C" . "XOMQERYBMDFBAG-SFQUDFHCSA-N" . "InChI=1S/C24H23N3O4S2/c1-27(20-9-4-3-5-10-20)33(29,30)21-15-13-19(14-16-21)25-24(32)26-23(28)17-12-18-8-6-7-11-22(18)31-2/h3-17H,1-2H3,(H2,25,26,28,32)/b17-12+" . "COC(c1ccc(c(c1)F)N1CCN(CC1)C(=O)c1cc(ccc1c1ccc(cc1)F)S(=O)(=O)C)C" . "COC(c1ccc(c(c1)F)N1CCN(CC1)C(=O)c1cc(ccc1c1ccc(cc1)F)S(=O)(=O)C)C" . "JQXZHDOSMUZLML-UHFFFAOYSA-N" . "InChI=1S/C27H28F2N2O4S/c1-18(35-2)20-6-11-26(25(29)16-20)30-12-14-31(15-13-30)27(32)24-17-22(36(3,33)34)9-10-23(24)19-4-7-21(28)8-5-19/h4-11,16-18H,12-15H2,1-3H3" . "Fc1ccc(cc1)c1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)N)S(=O)(=O)C" . "Fc1ccc(cc1)c1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)N)S(=O)(=O)C" . "DAPKZHQMEQRNPY-UHFFFAOYSA-N" . "InChI=1S/C24H23F2N3O3S/c1-33(31,32)19-7-8-20(16-2-4-17(25)5-3-16)21(15-19)24(30)29-12-10-28(11-13-29)23-9-6-18(27)14-22(23)26/h2-9,14-15H,10-13,27H2,1H3" . "Clc1ccc(c(c1)Cl)n1nc(c(c1c1ccc(cc1)c1ccc(cc1)CCCNC(=O)c1ccc2c(c1)C(=O)OC12c2ccc(cc2Oc2c1ccc(c2)N(C)C)N(C)C)C)C(=O)NN1CCCCC1" . "Clc1ccc(c(c1)Cl)n1nc(c(c1c1ccc(cc1)c1ccc(cc1)CCCNC(=O)c1ccc2c(c1)C(=O)OC12c2ccc(cc2Oc2c1ccc(c2)N(C)C)N(C)C)C)C(=O)NN1CCCCC1" . "RNAPRXIZPJDYPH-UHFFFAOYSA-N" . "InChI=1S/C56H53Cl2N7O5/c1-34-51(54(67)61-64-28-7-6-8-29-64)60-65(48-26-20-40(57)31-47(48)58)52(34)38-17-15-37(16-18-38)36-13-11-35(12-14-36)10-9-27-59-53(66)39-19-23-44-43(30-39)55(68)70-56(44)45-24-21-41(62(2)3)32-49(45)69-50-33-42(63(4)5)22-25-46(50)56/h11-26,30-33H,6-10,27-29H2,1-5H3,(H,59,66)(H,61,67)" . "CCCn1c(C)c(c2c1cccc2)C(=O)c1cccc2c1cccc2" . "CCCn1c(C)c(c2c1cccc2)C(=O)c1cccc2c1cccc2" . "LJSBBBWQTLXQEN-UHFFFAOYSA-N" . "InChI=1S/C23H21NO/c1-3-15-24-16(2)22(20-12-6-7-14-21(20)24)23(25)19-13-8-10-17-9-4-5-11-18(17)19/h4-14H,3,15H2,1-2H3" . "CCC=CCC(C=CC=CC=CC=CC(C(CC=CCCC(=O)OC)O)O)O" . "CC/C=C/C[C@@H](/C=C/C=C/C=C/C=C/[C@H]([C@H](C/C=C/CCC(=O)OC)O)O)O" . "WUKVAFWBFGABJN-ZXQGQRHTSA-N" . "InChI=1S/C23H34O5/c1-3-4-10-15-20(24)16-11-7-5-6-8-12-17-21(25)22(26)18-13-9-14-19-23(27)28-2/h4-13,16-17,20-22,24-26H,3,14-15,18-19H2,1-2H3/b7-5-,8-6+,10-4-,13-9-,16-11+,17-12+/t20-,21+,22-/m0/s1" . "CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCCN" . "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OCCN" . "DLHLOYYQQGSXCC-DOFZRALJSA-N" . "InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21,23H2,1H3/b7-6-,10-9-,13-12-,16-15-" . "CCCCCCCCC=CCCCCCCCC(=O)NCCc1ccc(c(c1)O)O" . "CCCCCCCC/C=C/CCCCCCCC(=O)NCCc1ccc(c(c1)O)O" . "QQBPLXNESPTPNU-KTKRTIGZSA-N" . "InChI=1S/C26H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h9-10,18-19,22,28-29H,2-8,11-17,20-21H2,1H3,(H,27,30)/b10-9-" . "CCCCCCCCCCCCCC=CC(C(COC1OC(CO)C(C(C1O)O)O)N)O" . "CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)N)O" . "HHJTWTPUPVQKNA-PIIMIWFASA-N" . "InChI=1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/b15-14+/t18-,19+,20+,21-,22-,23+,24+/m0/s1" . "CCCCCCC=CCCCCCCCC(=O)O" . "CCCCCC/C=C/CCCCCCCC(=O)O" . "SECPZKHBENQXJG-FPLPWBNLSA-N" . "InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-" . "CCCCCC=CCC=CCC=CCC=CCCCCOC(CO)CO" . "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCOC(CO)CO" . "CUJUUWXZAQHCNC-DOFZRALJSA-N" . "InChI=1S/C23H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-23(21-24)22-25/h6-7,9-10,12-13,15-16,23-25H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-" . "OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O" . "OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O" . "WDLRUFUQRNWCPK-UHFFFAOYSA-N" . "InChI=1S/C16H28N4O8/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)" . "CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC" . "CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC" . "WHTVZRBIWZFKQO-UHFFFAOYSA-N" . "InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)" . "CCCCCCCCCCCC(=O)O" . "CCCCCCCCCCCC(=O)O" . "POULHZVOKOAJMA-UHFFFAOYSA-N" . "InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)" . "CNCCc1cc(Cc2cc(CCNC)ccc2OC)c(c(c1)Cc1cc(CCNC)ccc1OC)OC" . "CNCCc1cc(Cc2cc(CCNC)ccc2OC)c(c(c1)Cc1cc(CCNC)ccc1OC)OC" . "DXEVTBAWIGXNAW-UHFFFAOYSA-N" . "InChI=1S/C32H45N3O3/c1-33-14-11-23-7-9-30(36-4)26(17-23)21-28-19-25(13-16-35-3)20-29(32(28)38-6)22-27-18-24(12-15-34-2)8-10-31(27)37-5/h7-10,17-20,33-35H,11-16,21-22H2,1-6H3" . "CN1CCCN(CC1)C(=O)c1ccc2c(c1)nc1n2C(C(C)C)C(=O)Nc2c1cc(cc2)NC1CCCCCC1" . "CN1CCCN(CC1)C(=O)c1ccc2c(c1)nc1n2[C@@H](C(C)C)C(=O)Nc2c1cc(cc2)NC1CCCCCC1" . "MZUNJRMUTJBHGB-LJAQVGFWSA-N" . "InChI=1S/C32H42N6O2/c1-21(2)29-31(39)35-26-13-12-24(33-23-9-6-4-5-7-10-23)20-25(26)30-34-27-19-22(11-14-28(27)38(29)30)32(40)37-16-8-15-36(3)17-18-37/h11-14,19-21,23,29,33H,4-10,15-18H2,1-3H3,(H,35,39)/t29-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CO)CCC(=O)O)C(O)C)CCCN=C(N)N)C(C)C)CC(C)C)CC(=O)N)CCCN=C(N)N)CC(C)C)Cc1ccccc1)CC(=O)O)CCCCN)C(CC)C)CCCN=C(N)N)CCC(=O)N)C(C)C)C(CC)C)CCCN=C(N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(CC(C)C)N)CC(C)C)CC(=O)O)Cc1ccccc1)Cc1ccccc1)CCCN=C(N)N)CCCCN)CO)CCCCN)CCC(=O)O)CCCCN)CCCCN)CCC(=O)O)Cc1ccccc1" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CCC(=O)O)[C@H](O)C)CCCN=C(N)N)C(C)C)CC(C)C)CC(=O)N)CCCN=C(N)N)CC(C)C)Cc1ccccc1)CC(=O)O)CCCCN)[C@H](CC)C)CCCN=C(N)N)CCC(=O)N)C(C)C)[C@H](CC)C)CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N)CC(C)C)CC(=O)O)Cc1ccccc1)Cc1ccccc1)CCCN=C(N)N)CCCCN)CO)CCCCN)CCC(=O)O)CCCCN)CCCCN)CCC(=O)O)Cc1ccccc1" . "POIUWJQBRNEFGX-XAMSXPGMSA-N" . "InChI=1S/C205H340N60O53/c1-20-114(16)162(261-179(296)128(66-40-46-86-211)235-176(293)135(74-78-155(273)274)243-170(287)125(63-37-43-83-208)241-192(309)148(106-266)257-174(291)126(64-38-44-84-209)234-171(288)129(67-47-87-225-201(215)216)240-185(302)142(98-119-55-29-24-30-56-119)252-187(304)144(100-121-59-33-26-34-60-121)253-189(306)146(102-158(279)280)233-154(272)104-230-167(284)138(94-109(6)7)248-166(283)122(212)93-108(4)5)194(311)231-105-153(271)232-123(61-35-41-81-206)168(285)242-136(75-79-156(275)276)177(294)251-141(97-118-53-27-23-28-54-118)184(301)238-124(62-36-42-82-207)169(286)236-131(69-49-89-227-203(219)220)181(298)263-164(116(18)22-3)197(314)259-160(112(12)13)195(312)246-134(73-77-151(213)269)175(292)237-132(70-50-90-228-204(221)222)180(297)262-163(115(17)21-2)196(313)245-127(65-39-45-85-210)172(289)256-147(103-159(281)282)190(307)254-143(99-120-57-31-25-32-58-120)186(303)249-139(95-110(8)9)183(300)239-130(68-48-88-226-202(217)218)173(290)255-145(101-152(214)270)188(305)250-140(96-111(10)11)191(308)260-161(113(14)15)199(316)265-92-52-72-150(265)193(310)244-133(71-51-91-229-205(223)224)182(299)264-165(117(19)268)198(315)247-137(76-80-157(277)278)178(295)258-149(107-267)200(317)318/h23-34,53-60,108-117,122-150,160-165,266-268H,20-22,35-52,61-107,206-212H2,1-19H3,(H2,213,269)(H2,214,270)(H,230,284)(H,231,311)(H,232,271)(H,233,272)(H,234,288)(H,235,293)(H,236,286)(H,237,292)(H,238,301)(H,239,300)(H,240,302)(H,241,309)(H,242,285)(H,243,287)(H,244,310)(H,245,313)(H,246,312)(H,247,315)(H,248,283)(H,249,303)(H,250,305)(H,251,294)(H,252,304)(H,253,306)(H,254,307)(H,255,290)(H,256,289)(H,257,291)(H,258,295)(H,259,314)(H,260,308)(H,261,296)(H,262,297)(H,263,298)(H,264,299)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,317,318)(H4,215,216,225)(H4,217,218,226)(H4,219,220,227)(H4,221,222,228)(H4,223,224,229)/t114-,115-,116-,117+,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,160-,161-,162-,163-,164-,165-/m0/s1" . "CCCCCc1cc(O)cc(c1C1C=C(C)CCC1C(=C)C)O" . "CCCCCc1cc(O)cc(c1[C@@H]1C=C(C)CC[C@H]1C(=C)C)O" . "YWEZXUNAYVCODW-RBUKOAKNSA-N" . "InChI=1S/C21H30O2/c1-5-6-7-8-16-12-17(22)13-20(23)21(16)19-11-15(4)9-10-18(19)14(2)3/h11-13,18-19,22-23H,2,5-10H2,1,3-4H3/t18-,19+/m0/s1" . "CC1=CC(C(CC1)C(=C)C)c1c(C)cc(cc1O)O" . "CC1=C[C@H]([C@@H](CC1)C(=C)C)c1c(C)cc(cc1O)O" . "KDZOUSULXZNDJH-LSDHHAIUSA-N" . "InChI=1S/C17H22O2/c1-10(2)14-6-5-11(3)7-15(14)17-12(4)8-13(18)9-16(17)19/h7-9,14-15,18-19H,1,5-6H2,2-4H3/t14-,15+/m0/s1" . "O=C(N1CCC(CC1)c1nc(=O)c2c([nH]1)n(nn2)Cc1ccccc1Cl)Nc1ccc(cc1)C(F)(F)F" . "O=C(N1CCC(CC1)c1nc(=O)c2c([nH]1)n(nn2)Cc1ccccc1Cl)Nc1ccc(cc1)C(F)(F)F" . "SKWHAHNDWJREJG-UHFFFAOYSA-N" . "InChI=1S/C24H21ClF3N7O2/c25-18-4-2-1-3-15(18)13-35-21-19(32-33-35)22(36)31-20(30-21)14-9-11-34(12-10-14)23(37)29-17-7-5-16(6-8-17)24(26,27)28/h1-8,14H,9-13H2,(H,29,37)(H,30,31,36)" . "CCN(C)C" . "CCN(C)C" . "DAZXVJBJRMWXJP-UHFFFAOYSA-N" . "InChI=1S/C4H11N/c1-4-5(2)3/h4H2,1-3H3" . "CN1CCCCC1" . "CN1CCCCC1" . "PAMIQIKDUOTOBW-UHFFFAOYSA-N" . "InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3" . "CN(C)C" . "CN(C)C" . "GETQZCLCWQTVFV-UHFFFAOYSA-N" . "InChI=1S/C3H9N/c1-4(2)3/h1-3H3" . "COc1ccc(cc1)N(C(c1ccc(cc1)F)C(=O)NCC1CCCO1)C(=O)Cn1nnc2c1cccc2" . "COc1ccc(cc1)N(C(c1ccc(cc1)F)C(=O)NCC1CCCO1)C(=O)Cn1nnc2c1cccc2" . "HIWKGPKZDUQDKF-UHFFFAOYSA-N" . "InChI=1S/C28H28FN5O4/c1-37-22-14-12-21(13-15-22)34(26(35)18-33-25-7-3-2-6-24(25)31-32-33)27(19-8-10-20(29)11-9-19)28(36)30-17-23-5-4-16-38-23/h2-3,6-15,23,27H,4-5,16-18H2,1H3,(H,30,36)" . "COc1ccc(cc1)CNC(=O)C(N(C(=O)c1snc(c1N)C(=O)N)Cc1ccco1)c1ccc(cc1)O" . "COc1ccc(cc1)CNC(=O)C(N(C(=O)c1snc(c1N)C(=O)N)Cc1ccco1)c1ccc(cc1)O" . "TVONKIFIPYRNRD-UHFFFAOYSA-N" . "InChI=1S/C26H25N5O6S/c1-36-18-10-4-15(5-11-18)13-29-25(34)22(16-6-8-17(32)9-7-16)31(14-19-3-2-12-37-19)26(35)23-20(27)21(24(28)33)30-38-23/h2-12,22,32H,13-14,27H2,1H3,(H2,28,33)(H,29,34)" . "COCCn1nnnc1C(c1cc2cc(OC)ccc2[nH]c1=O)N(Cc1ccccc1)CCc1ccccc1" . "COCCn1nnnc1C(c1cc2cc(OC)ccc2[nH]c1=O)N(Cc1ccccc1)CCc1ccccc1" . "JKKKHIBCTKIWFJ-UHFFFAOYSA-N" . "InChI=1S/C30H32N6O3/c1-38-18-17-36-29(32-33-34-36)28(26-20-24-19-25(39-2)13-14-27(24)31-30(26)37)35(21-23-11-7-4-8-12-23)16-15-22-9-5-3-6-10-22/h3-14,19-20,28H,15-18,21H2,1-2H3,(H,31,37)" . "COc1ccc(cc1)n1c(nnc1c1ccccc1OC)SC(C(=O)Nc1ccccc1)C" . "COc1ccc(cc1)n1c(nnc1c1ccccc1OC)SC(C(=O)Nc1ccccc1)C" . "KGGHSILNBGUJEN-UHFFFAOYSA-N" . "InChI=1S/C25H24N4O3S/c1-17(24(30)26-18-9-5-4-6-10-18)33-25-28-27-23(21-11-7-8-12-22(21)32-3)29(25)19-13-15-20(31-2)16-14-19/h4-17H,1-3H3,(H,26,30)" . "O=C(NCCCCc1nnc(o1)c1ccc(c(c1)Cl)OC(F)(F)F)CCCc1ccc2c(n1)nccc2" . "O=C(NCCCCc1nnc(o1)c1ccc(c(c1)Cl)OC(F)(F)F)CCCc1ccc2c(n1)nccc2" . "RCSBCWXPGSPJNF-UHFFFAOYSA-N" . "InChI=1S/C25H23ClF3N5O3/c26-19-15-17(10-12-20(19)37-25(27,28)29)24-34-33-22(36-24)8-1-2-13-30-21(35)7-3-6-18-11-9-16-5-4-14-31-23(16)32-18/h4-5,9-12,14-15H,1-3,6-8,13H2,(H,30,35)" . "O=C(NCc1onc(c1)c1ccc(c(c1)C(F)(F)F)F)CCCc1ccc2c(n1)nccc2" . "O=C(NCc1onc(c1)c1ccc(c(c1)C(F)(F)F)F)CCCc1ccc2c(n1)nccc2" . "SWKGPCNQBPGWNX-UHFFFAOYSA-N" . "InChI=1S/C23H18F4N4O2/c24-19-9-7-15(11-18(19)23(25,26)27)20-12-17(33-31-20)13-29-21(32)5-1-4-16-8-6-14-3-2-10-28-22(14)30-16/h2-3,6-12H,1,4-5,13H2,(H,29,32)" . "CCCCCCCCC=CCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)O" . "CCCCCCCC/C=C/CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C/CCCCCCCC)COP(=O)(O)O" . "MHUWZNTUIIFHAS-CLFAGFIQSA-N" . "InChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3,(H2,42,43,44)/b19-17-,20-18-" . "NCC(c1ccccc1)C" . "NCC(c1ccccc1)C" . "AXORVIZLPOGIRG-UHFFFAOYSA-N" . "InChI=1S/C9H13N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3" . "CCCCCC=CCC(C=CC=CCC=CCCCC(=O)O)O" . "CCCCC/C=C/C[C@@H](/C=C/C=C/C/C=C/CCCC(=O)O)O" . "ZNHVWPKMFKADKW-LQWMCKPYSA-N" . "InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1" . "NC1CCCCC1" . "NC1CCCCC1" . "PAFZNILMFXTMIY-UHFFFAOYSA-N" . "InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2" . "NCCC(C)C" . "NCCC(C)C" . "BMFVGAAISNGQNM-UHFFFAOYSA-N" . "InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3" . "OC1CC(OC1COP(=O)(OP(=O)(OP(=O)(O)O)O)O)n1cc(C)c(=O)[nH]c1=O" . "O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)(OP(=O)(O)O)O)O)n1cc(C)c(=O)[nH]c1=O" . "NHVNXKFIZYSCEB-XLPZGREQSA-N" . "InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1" . "O=C1Oc2c(C1(O)C(F)(F)F)cc(cc2C(C)(C)C)C(C)(C)C" . "O=C1Oc2c([C@@]1(O)C(F)(F)F)cc(cc2C(C)(C)C)C(C)(C)C" . "RVNOANDLZIIFHB-INIZCTEOSA-N" . "InChI=1S/C17H21F3O3/c1-14(2,3)9-7-10(15(4,5)6)12-11(8-9)16(22,13(21)23-12)17(18,19)20/h7-8,22H,1-6H3/t16-/m0/s1" . "Cc1ncc(c(n1)NC1CC2CC1CC2)c1ccc(cc1)C(F)(F)F" . "Cc1ncc(c(n1)N[C@@H]1C[C@@H]2C[C@H]1CC2)c1ccc(cc1)C(F)(F)F" . "ADHZHPOKTRHZGT-DXCKQFNASA-N" . "InChI=1S/C19H20F3N3/c1-11-23-10-16(13-4-6-15(7-5-13)19(20,21)22)18(24-11)25-17-9-12-2-3-14(17)8-12/h4-7,10,12,14,17H,2-3,8-9H2,1H3,(H,23,24,25)/t12-,14+,17+/m0/s1" . "BrCCN1CCOC(C1)(O)c1ccc(cc1)c1ccc(cc1)C1(O)OCCN(C1)CCBr" . "BrCCN1CCOC(C1)(O)c1ccc(cc1)c1ccc(cc1)C1(O)OCCN(C1)CCBr" . "DEHLWSSPVQFNBM-UHFFFAOYSA-N" . "InChI=1S/C24H30Br2N2O4/c25-9-11-27-13-15-31-23(29,17-27)21-5-1-19(2-6-21)20-3-7-22(8-4-20)24(30)18-28(12-10-26)14-16-32-24/h1-8,29-30H,9-18H2" . "CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N" . "CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N" . "BGRJTUBHPOOWDU-UHFFFAOYSA-N" . "InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)" . "CC(C(C(=O)Nc1nccs1)c1ccc(cc1)Cl)C" . "CC(C(C(=O)Nc1nccs1)c1ccc(cc1)Cl)C" . "AZYDQCGCBQYFSE-UHFFFAOYSA-N" . "InChI=1S/C14H15ClN2OS/c1-9(2)12(10-3-5-11(15)6-4-10)13(18)17-14-16-7-8-19-14/h3-9,12H,1-2H3,(H,16,17,18)" . "NC(=N)c1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N" . "NC(=N)c1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N" . "FWBHETKCLVMNFS-UHFFFAOYSA-N" . "InChI=1S/C16H15N5/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13/h1-8,21H,(H3,17,18)(H3,19,20)" . "OC(=O)P(=O)(O)O" . "OC(=O)P(=O)(O)O" . "ZJAOAACCNHFJAH-UHFFFAOYSA-N" . "InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)" . "OC(=O)C(c1cc(O)cc(c1)O)N" . "OC(=O)C(c1cc(O)cc(c1)O)N" . "HOOWCUZPEFNHDT-UHFFFAOYSA-N" . "InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)" . "OC(=O)CCCCCCCCCCCC1CCC2=CC3[NH+]([B-](N12)(F)F)C(C)CC3" . "OC(=O)CCCCCCCCCCCC1CCC2=CC3[NH+]([B-](N12)(F)F)C(C)CC3" . "IRNYSPHCPBXXQD-UHFFFAOYSA-N" . "InChI=1S/C22H39BF2N2O2/c1-18-13-14-20-17-21-16-15-19(27(21)23(24,25)26(18)20)11-9-7-5-3-2-4-6-8-10-12-22(28)29/h17-20,26H,2-16H2,1H3,(H,28,29)" . "CCCCCC=CCC=CCC=CCC=CCCCCNC(C(=O)O)C" . "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCN[C@@H](C(=O)O)C" . "ZMBYGVKXTACGHR-FQPARAGTSA-N" . "InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22(2)23(25)26/h7-8,10-11,13-14,16-17,22,24H,3-6,9,12,15,18-21H2,1-2H3,(H,25,26)/b8-7-,11-10-,14-13-,17-16-/t22-/m1/s1" . "CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCCC(=O)O" . "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NCCCC(=O)O" . "JKUDIEXTAYKJNX-DOFZRALJSA-N" . "InChI=1S/C24H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)25-22-19-21-24(27)28/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-22H2,1H3,(H,25,26)(H,27,28)/b7-6-,10-9-,13-12-,16-15-" . "CCCCCC=CCC=CCC=CCC=CCCCCNCC(=O)O" . "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCNCC(=O)O" . "SYVLWSBAKCQOBP-DOFZRALJSA-N" . "InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21-22(24)25/h6-7,9-10,12-13,15-16,23H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-" . "NC(=N)NCCS(=O)(=O)O" . "NC(=N)NCCS(=O)(=O)O" . "JKLRIMRKZBSSED-UHFFFAOYSA-N" . "InChI=1S/C3H9N3O3S/c4-3(5)6-1-2-10(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9)" . "NC1=NCCN1CC(=O)O" . "NC1=NCCN1CC(=O)O" . "AMHZIUVRYRVYBA-UHFFFAOYSA-N" . "InChI=1S/C5H9N3O2/c6-5-7-1-2-8(5)3-4(9)10/h1-3H2,(H2,6,7)(H,9,10)" . "CN(CCOC1(CC2C(C1(C)CC2)(C)C)c1ccccc1)C" . "CN(CCO[C@@]1(C[C@@H]2C([C@@]1(C)CC2)(C)C)c1ccccc1)C" . "QOBGWWQAMAPULA-RLLQIKCJSA-N" . "InChI=1S/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19-,20+/m1/s1" . "CCOC(=O)c1cncn1C(c1ccccc1)C" . "CCOC(=O)c1cncn1[C@@H](c1ccccc1)C" . "NPUKDXXFDDZOKR-LLVKDONJSA-N" . "InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1" . "COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccc(cc1)OC)OCCN1CCCC1CC(=O)O" . "COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccc(cc1)OC)OCCN1CCC[C@@H]1CC(=O)O" . "LVXQSLPHTYSBIW-RUZDIDTESA-N" . "InChI=1S/C30H35NO6/c1-34-26-12-6-22(7-13-26)30(23-8-14-27(35-2)15-9-23,24-10-16-28(36-3)17-11-24)37-20-19-31-18-4-5-25(31)21-29(32)33/h6-17,25H,4-5,18-21H2,1-3H3,(H,32,33)/t25-/m1/s1" . "COc1ccc2c(c1)[nH]c(n2)S(=O)Cc1ncc(c(c1C)OC)C" . "COc1ccc2c(c1)[nH]c(n2)[S@@](=O)Cc1ncc(c(c1C)OC)C" . "SUBDBMMJDZJVOS-DEOSSOPVSA-N" . "InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m0/s1" . "O=S(c1nc2c([nH]1)cccc2)Cc1nccc(c1C)OCC(F)(F)F" . "O=[S@@](c1nc2c([nH]1)cccc2)Cc1nccc(c1C)OCC(F)(F)F" . "MJIHNNLFOKEZEW-RUZDIDTESA-N" . "InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)/t25-/m1/s1" . "Oc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C" . "Oc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C" . "JFGVTUJBHHZRAB-UHFFFAOYSA-N" . "InChI=1S/C14H22O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8,15-16H,1-6H3" . "CCCC(=O)OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2NC(=O)CCC" . "CCCC(=O)O[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2NC(=O)CCC" . "CJGYSWNGNKCJSB-YVLZZHOMSA-N" . "InChI=1S/C18H24N5O8P/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24)/t10-,14-,15-,18-/m1/s1" . "NCC(CC(=O)O)CC(C)C" . "NC[C@H](CC(=O)O)CC(C)C" . "AYXYPKUFHZROOJ-ZETCQYMHSA-N" . "InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1" . "NCC1(CCCCC1)CC(=O)O" . "NCC1(CCCCC1)CC(=O)O" . "UGJMXCAKCUNAIE-UHFFFAOYSA-N" . "InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)" . "CC(Cl)(Cl)Cl" . "CC(Cl)(Cl)Cl" . "UOCLXMDMGBRAIB-UHFFFAOYSA-N" . "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" . "Cc1ccccc1" . "Cc1ccccc1" . "YXFVVABEGXRONW-UHFFFAOYSA-N" . "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" . "CCCC(C1(CC)C(=O)NC(=O)NC1=O)C" . "CCCC(C1(CC)C(=O)NC(=O)NC1=O)C" . "WEXRUCMBJFQVBZ-UHFFFAOYSA-N" . "InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)" . "CCOC1CC2(C)C(CC1O)CCC1C2C(CC2(C1CCC2C(=O)C)C)N(C)C" . "CCO[C@H]1C[C@@]2(C)[C@H](C[C@@H]1O)CC[C@@H]1[C@@H]2[C@@H](C[C@]2([C@H]1CC[C@@H]2C(=O)C)C)N(C)C" . "NCGLTZSBTFVVAW-KNXRZYMVSA-N" . "InChI=1S/C25H43NO3/c1-7-29-22-14-24(3)16(12-21(22)28)8-9-17-19-11-10-18(15(2)27)25(19,4)13-20(23(17)24)26(5)6/h16-23,28H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23+,24-,25+/m0/s1" . "C1CCCNC1" . "C1CCCNC1" . "NQRYJNQNLNOLGT-UHFFFAOYSA-N" . "InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2" . "N#Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-]" . "N#Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-]" . "RPXVIAFEQBNEAX-UHFFFAOYSA-N" . "InChI=1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15)" . "OC(=O)C(c1cccc(c1)O)N" . "OC(=O)[C@H](c1cccc(c1)O)N" . "DQLYTFPAEVJTFM-ZETCQYMHSA-N" . "InChI=1S/C8H9NO3/c9-7(8(11)12)5-2-1-3-6(10)4-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1" . "[N-]=[N+]=Nc1ccc(cc1)CC(=O)NC1CC(Nc2c1c(Cl)cc(c2)Cl)C(=O)O" . "[N-]=[N+]=Nc1ccc(cc1)CC(=O)NC1CC(Nc2c1c(Cl)cc(c2)Cl)C(=O)O" . "OVAIIHUWSLJJPO-UHFFFAOYSA-N" . "InChI=1S/C18H15Cl2N5O3/c19-10-6-12(20)17-13(7-10)22-15(18(27)28)8-14(17)23-16(26)5-9-1-3-11(4-2-9)24-25-21/h1-4,6-7,14-15,22H,5,8H2,(H,23,26)(H,27,28)" . "NC(=O)OCC(c1ccccc1)COC(=O)N" . "NC(=O)OCC(c1ccccc1)COC(=O)N" . "WKGXYQFOCVYPAC-UHFFFAOYSA-N" . "InChI=1S/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)" . "Oc1ccc(cc1)C(C(N1CCC(CC1)Cc1ccccc1)C)O" . "Oc1ccc(cc1)C(C(N1CCC(CC1)Cc1ccccc1)C)O" . "UYNVMODNBIQBMV-UHFFFAOYSA-N" . "InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3" . "CC1CCC(C2=C(CCC12)C)C=C(C(=O)N)C" . "C[C@@H]1CC[C@H](C2=C(CC[C@H]12)C)/C=C(/C(=O)N)/C" . "CQHOIXZTIWRKEB-SUKRRCERSA-N" . "InChI=1S/C15H23NO/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H2,16,17)/b11-8+/t9-,12+,13-/m1/s1" . "OC(C(C)(C)C)C=Cc1ccc2c(c1)OCO2" . "OC(C(C)(C)C)/C=C/c1ccc2c(c1)OCO2" . "IBLNKMRFIPWSOY-FNORWQNLSA-N" . "InChI=1S/C14H18O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8,13,15H,9H2,1-3H3/b7-5+" . "CCN=C1Nc2ccc(cc2C(O1)(C)c1ccccc1)Cl" . "CCN=C1Nc2ccc(cc2C(O1)(C)c1ccccc1)Cl" . "IBYCYJFUEJQSMK-UHFFFAOYSA-N" . "InChI=1S/C17H17ClN2O/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,20)" . "CCCCNc1c(C(=O)OCC)c(C)nc2c1cnn2CC" . "CCCCNc1c(C(=O)OCC)c(C)nc2c1cnn2CC" . "PCTRYMLLRKWXGF-UHFFFAOYSA-N" . "InChI=1S/C16H24N4O2/c1-5-8-9-17-14-12-10-18-20(6-2)15(12)19-11(4)13(14)16(21)22-7-3/h10H,5-9H2,1-4H3,(H,17,19)" . "O=C1CCCO1" . "O=C1CCCO1" . "YEJRWHAVMIAJKC-UHFFFAOYSA-N" . "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2" . "OC1CCC2(C(C1)CCC1C2C(=O)CC2(C1CCC2C(=O)C)C)C" . "O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2C(=O)C[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C" . "DUHUCHOQIDJXAT-OLVMNOGESA-N" . "InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1" . "C1CC(N1)COc1cccnc1" . "C1C[C@H](N1)COc1cccnc1" . "XKFMBGWHHBCWCD-QMMMGPOBSA-N" . "InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1" . "N1CC2CC(C1)c1c2cc2c(c1)nccn2" . "N1C[C@@H]2C[C@H](C1)c1c2cc2c(c1)nccn2" . "JQSHBVHOMNKWFT-DTORHVGOSA-N" . "InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2/t8-,9+" . "CCC(=O)C(c1ccccc1)(c1ccccc1)CC(N(C)C)C" . "CCC(=O)C(c1ccccc1)(c1ccccc1)CC(N(C)C)C" . "USSIQXCVUWKGNF-UHFFFAOYSA-N" . "InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3" . "CCOc1cccc(c1)NC(=O)c1ccc(c(c1)C(F)(F)F)N1CCCC1" . "CCOc1cccc(c1)NC(=O)c1ccc(c(c1)C(F)(F)F)N1CCCC1" . "KLFVWQCQUXXLOU-UHFFFAOYSA-N" . "InChI=1S/C20H21F3N2O2/c1-2-27-16-7-5-6-15(13-16)24-19(26)14-8-9-18(25-10-3-4-11-25)17(12-14)20(21,22)23/h5-9,12-13H,2-4,10-11H2,1H3,(H,24,26)" . "CCCCCC(C=CC1C(C)CC(C1CC=CCCCC(=O)NCCO)O)O" . "CCCCC[C@@H](/C=C/[C@H]1[C@H](C)C[C@@H]([C@@H]1C/C=C/CCCC(=O)NCCO)O)O" . "YUKILNRONMAMTM-NKDIASRKSA-N" . "InChI=1S/C23H41NO4/c1-3-4-7-10-19(26)13-14-20-18(2)17-22(27)21(20)11-8-5-6-9-12-23(28)24-15-16-25/h5,8,13-14,18-22,25-27H,3-4,6-7,9-12,15-17H2,1-2H3,(H,24,28)/b8-5-,14-13+/t18-,19+,20+,21-,22+/m1/s1" . "CCNC(=O)COc1ccc(cc1CC1C2CCC(C1c1occ(n1)C(=O)NCCCCC1CCCCC1)O2)F" . "CCNC(=O)COc1ccc(cc1C[C@H]1[C@@H]2CC[C@H]([C@H]1c1occ(n1)C(=O)NCCCCC1CCCCC1)O2)F" . "FPMMMZJJCYYVIK-QIBGPLTASA-N" . "InChI=1S/C31H42FN3O5/c1-2-33-28(36)19-38-25-12-11-22(32)16-21(25)17-23-26-13-14-27(40-26)29(23)31-35-24(18-39-31)30(37)34-15-7-6-10-20-8-4-3-5-9-20/h11-12,16,18,20,23,26-27,29H,2-10,13-15,17,19H2,1H3,(H,33,36)(H,34,37)/t23-,26-,27+,29-/m0/s1" . "CC1CC(C)C(=O)C(C1)C(CC1CC(=O)NC(=O)C1)O" . "C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@@H](CC1CC(=O)NC(=O)C1)O" . "YPHMISFOHDHNIV-FSZOTQKASA-N" . "InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1" . "OC1C(COP(=O)(OP(=O)(OP(=O)(OCC2OC(C(C2O)O)n2cnc3c2ncnc3N)O)O)O)OC(C1O)n1cnc2c1ncnc2N" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2cnc3c2ncnc3N)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N" . "QCICUPZZLIQAPA-XPWFQUROSA-N" . "InChI=1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-47(35,36)45-49(39,40)46-48(37,38)42-2-8-12(32)14(34)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1" . "OC1C(COP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)([O-])[O-])[O-])[O-])[O-])OCC2OC(C(C2O)O)n2cnc3c2ncnc3N)OC(C1O)n1cnc2c1ncnc2N" . "OC1[C@@H](COP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)([O-])[O-])[O-])[O-])[O-])OC[C@H]2O[C@H](C(C2O)O)n2cnc3c2ncnc3N)O[C@H](C1O)n1cnc2c1ncnc2N" . "DZDFIEYYTZFGFQ-ICIWVTHHSA-I" . "InChI=1S/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-57(44,52-56(42,43)51-55(40,41)50-54(38,39)49-53(35,36)37)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,38,39)(H,40,41)(H,42,43)(H2,21,23,25)(H2,22,24,26)(H2,35,36,37)/p-5/t7-,8-,11?,12?,13?,14?,19-,20-,57?/m1/s1" . "CC(=O)NCCc1c[nH]c2c1cc(O)cc2" . "CC(=O)NCCc1c[nH]c2c1cc(O)cc2" . "MVAWJSIDNICKHF-UHFFFAOYSA-N" . "InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)" . "CCCCCCCCC=CCCCCCCCC(=O)NC(Cc1ccc(cc1)OCc1ccccn1)COP(=O)(O)[O-].[NH4+]" . "CCCCCCCC/C=C/CCCCCCCC(=O)N[C@H](Cc1ccc(cc1)OCc1ccccn1)COP(=O)(O)[O-].[NH4+]" . "CIWOPVRNKVCACF-FJRCUGBNSA-N" . "InChI=1S/C33H51N2O6P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33(36)35-31(28-41-42(37,38)39)26-29-21-23-32(24-22-29)40-27-30-19-17-18-25-34-30;/h9-10,17-19,21-25,31H,2-8,11-16,20,26-28H2,1H3,(H,35,36)(H2,37,38,39);1H3/b10-9-;/t31-;/m1./s1" . "OC(=O)C(Cc1o[nH]c(=O)c1C)N" . "OC(=O)C(Cc1o[nH]c(=O)c1C)N" . "QQKCZEULAPHDJP-UHFFFAOYSA-N" . "InChI=1S/C7H10N2O4/c1-3-5(13-9-6(3)10)2-4(8)7(11)12/h4H,2,8H2,1H3,(H,9,10)(H,11,12)" . "CCCCCCc1c(o[nH]c1=O)CC(C(=O)O)N" . "CCCCCCc1c(o[nH]c1=O)C[C@@H](C(=O)O)N" . "OKJBLHIYOWSQDJ-VIFPVBQESA-N" . "InChI=1S/C12H20N2O4/c1-2-3-4-5-6-8-10(18-14-11(8)15)7-9(13)12(16)17/h9H,2-7,13H2,1H3,(H,14,15)(H,16,17)/t9-/m0/s1" . "OS(=O)CC(C(=O)O)N" . "OS(=O)C[C@@H](C(=O)O)N" . "ADVPTQAUNPRNPO-REOHCLBHSA-N" . "InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1" . "CSc1nc(NC2CCCC2)c(c(n1)NC1CCCC1)[N+](=O)[O-]" . "CSc1nc(NC2CCCC2)c(c(n1)NC1CCCC1)[N+](=O)[O-]" . "GSGVDKOCBKBMGG-UHFFFAOYSA-N" . "InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19)" . "CCCCCC=CCC=CCC=CCC=CCCCCCC(=O)NCCO" . "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCCC(=O)NCCO" . "FMVHVRYFQIXOAF-DOFZRALJSA-N" . "InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-23H2,1H3,(H,25,27)/b7-6-,10-9-,13-12-,16-15-" . "CCCCCC=CCC=CCC=CCCCCCCC(=O)NCCO" . "CCCCC/C=C/C/C=C/C/C=C/CCCCCCC(=O)NCCO" . "ULQWKETUACYZLI-QNEBEIHSSA-N" . "InChI=1S/C22H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,24H,2-5,8,11,14-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-" . "NC(=N/N=C/c1c(Cl)cccc1Cl)N" . "NC(=N/N=C/c1c(Cl)cccc1Cl)N" . "WDZVGELJXXEGPV-PQMHYQBVSA-N" . "InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4-" . "C=CCN1CCc2c(CC1)nc(s2)N" . "C=CCN1CCc2c(CC1)nc(s2)N" . "DHSSDEDRBUKTQY-UHFFFAOYSA-N" . "InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)" . "OC1Cc2c(C1NC(=O)c1ccc(cc1)c1ccccc1)cc(cc2)N=C(N(Cc1ccc(cc1)F)C)C" . "O[C@@H]1Cc2c([C@H]1NC(=O)c1ccc(cc1)c1ccccc1)cc(cc2)N=C(N(Cc1ccc(cc1)F)C)C" . "KOQVBYSCBCRVQJ-FIRIVFDPSA-N" . "InChI=1S/C32H30FN3O2/c1-21(36(2)20-22-8-15-27(33)16-9-22)34-28-17-14-26-18-30(37)31(29(26)19-28)35-32(38)25-12-10-24(11-13-25)23-6-4-3-5-7-23/h3-17,19,30-31,37H,18,20H2,1-2H3,(H,35,38)/t30-,31-/m1/s1" . "Brc1ccc(c(c1)Cn1cc(c2c1cccc2)S(=O)(=O)CC(=O)Nc1noc(c1)C)F" . "Brc1ccc(c(c1)Cn1cc(c2c1cccc2)S(=O)(=O)CC(=O)Nc1noc(c1)C)F" . "RUYRNYRGPSAXTK-UHFFFAOYSA-N" . "InChI=1S/C21H17BrFN3O4S/c1-13-8-20(25-30-13)24-21(27)12-31(28,29)19-11-26(18-5-3-2-4-16(18)19)10-14-9-15(22)6-7-17(14)23/h2-9,11H,10,12H2,1H3,(H,24,25,27)" . "OC(=O)c1c(=O)[nH]c2c(c1Cc1ccccc1)cccc2" . "OC(=O)c1c(=O)[nH]c2c(c1Cc1ccccc1)cccc2" . "LPQIYUCWQOQFCS-UHFFFAOYSA-N" . "InChI=1S/C17H13NO3/c19-16-15(17(20)21)13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)18-16/h1-9H,10H2,(H,18,19)(H,20,21)" . "O=C(Cc1ccccc1)NC1CCN(CC1)CCCN1C(=O)COc2c1cccc2" . "O=C(Cc1ccccc1)NC1CCN(CC1)CCCN1C(=O)COc2c1cccc2" . "FLGSUSWMWSZVMP-UHFFFAOYSA-N" . "InChI=1S/C24H29N3O3/c28-23(17-19-7-2-1-3-8-19)25-20-11-15-26(16-12-20)13-6-14-27-21-9-4-5-10-22(21)30-18-24(27)29/h1-5,7-10,20H,6,11-18H2,(H,25,28)" . "Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)N1CCN(CC1)C(C)C)c1ccc(cc1)O" . "Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)N1CCN(CC1)C(C)C)c1ccc(cc1)O" . "LQEOPHGPHCWOAC-UHFFFAOYSA-N" . "InChI=1S/C28H28N2O3S/c1-18(2)29-13-15-30(16-14-29)21-7-3-19(4-8-21)27(33)26-24-12-11-23(32)17-25(24)34-28(26)20-5-9-22(31)10-6-20/h3-12,17-18,31-32H,13-16H2,1-2H3" . "COc1ccc(cc1C12CC3CC(C2)CC(C1)C3)c1ccc2c(c1)ccc(c2)C(=O)O" . "COc1ccc(cc1C12CC3CC(C2)CC(C1)C3)c1ccc2c(c1)ccc(c2)C(=O)O" . "LZCDAPDGXCYOEH-UHFFFAOYSA-N" . "InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)" . "CCCCCCCCCCCCCCCCOCC(OC(=O)CCCCCCCC(=O)O)COP(=O)(OCC[N+](C)(C)C)[O-]" . "CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)CCCCCCCC(=O)O)COP(=O)(OCC[N+](C)(C)C)[O-]" . "ZDFOCDTXDPKJKA-WJOKGBTCSA-N" . "InChI=1S/C33H66NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27-40-29-31(30-42-44(38,39)41-28-26-34(2,3)4)43-33(37)25-22-19-17-18-21-24-32(35)36/h31H,5-30H2,1-4H3,(H-,35,36,38,39)/t31-/m1/s1" . "CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC(=O)O)COP(=O)(OCC[N+](C)(C)C)[O-]" . "CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCC(=O)O)COP(=O)(OCC[N+](C)(C)C)[O-]" . "GHQQYDSARXURNG-SSEXGKCCSA-N" . "InChI=1S/C33H64NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-24-32(37)41-28-30(29-43-45(39,40)42-27-26-34(2,3)4)44-33(38)25-22-19-16-17-20-23-31(35)36/h30H,5-29H2,1-4H3,(H-,35,36,39,40)/t30-/m1/s1" . "CCCCCC(C=CC=CCCCCCCCC(=O)O)O" . "CCCCCC(/C=C/C=C/CCCCCCCC(=O)O)O" . "HNICUWMFWZBIFP-BSZOFBHHSA-N" . "InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+" . "OC(=O)CC1=C(C)C(=Cc2ccc(cc2)S(=O)C)c2c1cc(F)cc2" . "OC(=O)CC1=C(C)/C(=C/c2ccc(cc2)S(=O)C)/c2c1cc(F)cc2" . "MLKXDPUZXIRXEP-MFOYZWKCSA-N" . "InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-" . "CCCCCCCC(=O)c1c(O)cc(cc1CC(=O)OCC)O" . "CCCCCCCC(=O)c1c(O)cc(cc1CC(=O)OCC)O" . "UVVWQQKSNZLUQA-UHFFFAOYSA-N" . "InChI=1S/C18H26O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h10,12,19,21H,3-9,11H2,1-2H3" . "CCOC(=O)C(Oc1cccc2c1ccn(c2=O)CC(=O)Nc1ccc2c(c1)OCCO2)C" . "CCOC(=O)C(Oc1cccc2c1ccn(c2=O)CC(=O)Nc1ccc2c(c1)OCCO2)C" . "KWMBIIQCLUIHDI-UHFFFAOYSA-N" . "InChI=1S/C24H24N2O7/c1-3-30-24(29)15(2)33-19-6-4-5-18-17(19)9-10-26(23(18)28)14-22(27)25-16-7-8-20-21(13-16)32-12-11-31-20/h4-10,13,15H,3,11-12,14H2,1-2H3,(H,25,27)" . "CCCCCCCOc1ccc(cc1)O" . "CCCCCCCOc1ccc(cc1)O" . "HZBABTUFXQLADL-UHFFFAOYSA-N" . "InChI=1S/C13H20O2/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10,14H,2-6,11H2,1H3" . "CCC=CCC(C(C=CC=CC=CC=CC(CC=CCCC(=O)O)O)O)O" . "CC/C=C/C[C@@H](C(/C=C/C=C/C=C/C=C/[C@@H](C/C=C/CCC(=O)O)O)O)O" . "IKFAUGXNBOBQDM-GIINMYNKSA-N" . "InChI=1S/C22H32O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-21,23-25H,2,13,15-16,18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,11-8-,14-10+,17-12+/t19-,20-,21?/m0/s1" . "OC1C(COP(=O)(OP(=S)(O)O)O)OC(C1O)n1cnc2c1nc(N)[nH]c2=O" . "O[C@@H]1[C@@H](COP(=O)(OP(=S)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1nc(N)[nH]c2=O" . "QJXJXBXFIOTYHB-UUOKFMHZSA-N" . "InChI=1S/C10H15N5O10P2S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(24-9)1-23-26(19,20)25-27(21,22)28/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H2,21,22,28)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1" . "Cc1c2[nH]cc3c2c(c(=O)c1=O)c1c[nH]c2c1c3c(=O)c(=O)c2C" . "Cc1c2[nH]cc3c2c(c(=O)c1=O)c1c[nH]c2c1c3c(=O)c(=O)c2C" . "XUMBMVFBXHLACL-UHFFFAOYSA-N" . "InChI=1S/C18H10N2O4/c1-5-13-9-7(3-19-13)12-10-8(11(9)17(23)15(5)21)4-20-14(10)6(2)16(22)18(12)24/h3-4,19-20H,1-2H3" . "NC(C(=O)O)CSSCC(C(=O)O)N" . "N[C@H](C(=O)O)CSSC[C@@H](C(=O)O)N" . "LEVWYRKDKASIDU-IMJSIDKUSA-N" . "InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1" . "CCCCCC(C=CC1C(O)CC(C1CCCCCCC(=O)O)O)O" . "CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1CCCCCCC(=O)O)O)O" . "DZUXGQBLFALXCR-CDIPTNKSSA-N" . "InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-19,21-23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-,19+/m0/s1" . "OCC1OC(CC1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O" . "OC[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O" . "HBOMLICNUCNMMY-XLPZGREQSA-N" . "InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1" . "OCC1OC(C(C1O)O)(CO)OC1OC(CO)C(C(C1O)O)O" . "OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O" . "CZMRCDWAGMRECN-UGDNZRGBSA-N" . "InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1" . "NCCCC(=O)O" . "NCCCC(=O)O" . "BTCSSZJGUNDROE-UHFFFAOYSA-N" . "InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)" . "COC(=O)C1C2CCC(N2C)CC1c1ccc(cc1)I" . "COC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1c1ccc(cc1)[125I]" . "SIIICDNNMDMWCI-LRRSBLKXSA-N" . "InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1/i17-2" . "N#CN=C(Nc1cccc2c1cccn2)NC(c1ccccc1)C" . "N#C/N=C(/Nc1cccc2c1cccn2)/N[C@H](c1ccc(cc1)[3H])C" . "PQYCRDPLPKGSME-MEVLSXKGSA-N" . "InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m0/s1/i2T" . "O=C(c1cc(C(=O)O)c(cc1C(=O)O)C(=O)O)N(C1CCCc2c1cccc2)Cc1cccc(c1)Oc1ccccc1" . "O=C(c1cc(C(=O)O)c(cc1C(=O)O)C(=O)O)N([C@H]1CCCc2c1cccc2)Cc1cccc(c1)Oc1ccccc1" . "VQGBOYBIENNKMI-LJAQVGFWSA-N" . "InChI=1S/C33H27NO8/c35-30(25-17-27(32(38)39)28(33(40)41)18-26(25)31(36)37)34(29-15-7-10-21-9-4-5-14-24(21)29)19-20-8-6-13-23(16-20)42-22-11-2-1-3-12-22/h1-6,8-9,11-14,16-18,29H,7,10,15,19H2,(H,36,37)(H,38,39)(H,40,41)/t29-/m0/s1" . "OC1C(COP(=O)(OP(=O)(OP(=S)([O-])[O-])[O-])[O-])OC(C1O)n1cnc2c1ncnc2N" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=[35S])([O-])[O-])[O-])[O-])O[C@H]([C@@H]1O)n1cnc2c1ncnc2N" . "NLTUCYMLOPLUHL-RZDQATCLSA-J" . "InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/p-4/t4-,6-,7-,10-/m1/s1/i31+3" . "OC1C(COP(=O)(CP(=O)(OP(=O)(O)O)O)O)OC(C1O)n1cnc2c1ncnc2N" . "O[C@@H]1[C@@H](COP(=O)(CP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N" . "CAWZRIXWFRFUQB-IOSLPCCCSA-N" . "InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1" . "CC(n1cncc1C(=O)OCCC1(C)N=N1)c1ccccc1" . "CC(n1cncc1C(=O)OCCC1(C)N=N1)c1ccccc1" . "DUOHNSBKYJHAMQ-UHFFFAOYSA-N" . "InChI=1S/C16H18N4O2/c1-12(13-6-4-3-5-7-13)20-11-17-10-14(20)15(21)22-9-8-16(2)18-19-16/h3-7,10-12H,8-9H2,1-2H3" . "OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C" . "OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C" . "UMQUQWCJKFOUGV-UHFFFAOYSA-N" . "InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)" . "COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1" . "COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1" . "IENZQIKPVFGBNW-UHFFFAOYSA-N" . "InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)" . "CCC(=C(c1ccccc1)c1ccc(cc1)OCCN(C)C)c1ccccc1" . "CC/C(=C(/c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1" . "NKANXQFJJICGDU-QPLCGJKRSA-N" . "InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-" . "SCC(C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CCCN=C(N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CS)N)Cc1ccc(cc1)O)Cc1ccccc1)CCC(=O)N)CC(=O)N " . "NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O" . "MIFHTMACYGHZKT-FRPRKMAFSA-N" . "InChI=1S/C46H67N15O12S2/c47-27(22-74)38(66)57-30(19-25-10-12-26(62)13-11-25)42(70)58-31(18-24-6-2-1-3-7-24)41(69)55-29(14-15-35(48)63)40(68)59-32(20-36(49)64)43(71)60-33(23-75)45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65/h1-3,6-7,10-13,27-34,62,74-75H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28+,29-,30-,31-,32-,33-,34-/m0/s1" . "CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)N)O" . "CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[32P](=O)(O)O)N)O" . "DUYSYHSSBDVJSM-CRGHQYIOSA-N" . "InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1/i25+1" . "COC(=O)Nc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)I" . "COC(=O)Nc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)[125I]" . "BMRSKORHUNWKLU-VLPIPSKASA-N" . "InChI=1S/C14H16IN3O3/c1-8(19)16-6-5-10-11-7-9(17-14(20)21-2)3-4-12(11)18-13(10)15/h3-4,7,18H,5-6H2,1-2H3,(H,16,19)(H,17,20)/i15-2" . "CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)O" . "CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COP(=O)(O)O)O" . "WRGQSWVCFNIUNZ-KTKRTIGZSA-N" . "InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-" . "COCc1cncc(c1)C#Cc1csc(n1)C" . "COCc1cncc(c1)C#Cc1csc(n1)C" . "AWDRAHDWMICWJM-UHFFFAOYSA-N" . "InChI=1S/C13H12N2OS/c1-10-15-13(9-17-10)4-3-11-5-12(8-16-2)7-14-6-11/h5-7,9H,8H2,1-2H3" . "CN(C(=O)c1sc2n(c1C)c1c(n2)ccc(c1)N)C1CCCCC1" . "CN(C(=O)c1sc2n(c1C)c1c(n2)ccc(c1)N)C1CCCCC1" . "KCBXOMYXOBVLED-UHFFFAOYSA-N" . "InChI=1S/C18H22N4OS/c1-11-16(17(23)21(2)13-6-4-3-5-7-13)24-18-20-14-9-8-12(19)10-15(14)22(11)18/h8-10,13H,3-7,19H2,1-2H3" . "CC(=O)C1=C(O)C2N(C1=O)C(C1C2c2c[nH]c3c2c(C1)ccc3)(C)C" . "CC(=O)C1=C(O)[C@H]2N(C1=O)C([C@H]1[C@@H]2c2c[nH]c3c2c(C1)ccc3)(C)C" . "SZINUGQCTHLQAZ-DQYPLSBCSA-N" . "InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,24H,7H2,1-3H3/t12-,16+,17+/m1/s1" . "OC(=O)C1CCC(C1)(N)C(=O)O" . "OC(=O)[C@@H]1CC[C@@](C1)(N)C(=O)O" . "YFYNOWXBIBKGHB-FBCQKBJTSA-N" . "InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CO)C(O)C)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CN)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)C)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)CO)CC(=O)O" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)[C@H](O)C)CC(C)C)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CN)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)C)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)CO)CC(=O)O" . "IBAFSRAMOWXNLI-CRUSWPMPSA-N" . "InChI=1S/C144H213N41O43/c1-69(2)42-90(169-126(210)92(44-71(5)6)170-128(212)95(48-80-33-37-85(193)38-34-80)165-111(197)59-155-119(203)74(11)161-136(220)103(63-186)179-132(216)101(53-109(148)195)174-127(211)93(45-72(7)8)177-141(225)117(76(13)190)184-135(219)97(163-110(196)55-146)49-81-56-154-87-27-19-18-26-86(81)87)121(205)158-62-114(200)185-41-23-30-107(185)139(223)176-98(50-82-57-151-67-159-82)125(209)162-75(12)120(204)182-116(73(9)10)140(224)157-61-113(199)166-100(52-108(147)194)131(215)173-99(51-83-58-152-68-160-83)130(214)168-89(29-22-40-153-144(149)150)124(208)178-104(64-187)137(221)172-96(46-78-24-16-15-17-25-78)129(213)180-105(65-188)138(222)175-102(54-115(201)202)133(217)167-88(28-20-21-39-145)123(207)171-94(47-79-31-35-84(192)36-32-79)122(206)156-60-112(198)164-91(43-70(3)4)134(218)183-118(77(14)191)142(226)181-106(66-189)143(227)228/h15-19,24-27,31-38,56-58,67-77,88-107,116-118,154,186-193H,20-23,28-30,39-55,59-66,145-146H2,1-14H3,(H2,147,194)(H2,148,195)(H,151,159)(H,152,160)(H,155,203)(H,156,206)(H,157,224)(H,158,205)(H,161,220)(H,162,209)(H,163,196)(H,164,198)(H,165,197)(H,166,199)(H,167,217)(H,168,214)(H,169,210)(H,170,212)(H,171,207)(H,172,221)(H,173,215)(H,174,211)(H,175,222)(H,176,223)(H,177,225)(H,178,208)(H,179,216)(H,180,213)(H,181,226)(H,182,204)(H,183,218)(H,184,219)(H,201,202)(H,227,228)(H4,149,150,153)/t74-,75-,76+,77+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,116-,117-,118-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N)C(O)C)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CN)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)C)CC(=O)O)CC(=O)N)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)CO)CC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(N)=O)[C@@H](C)O" . "NRTVYPCVTMOPIR-MUKWZMPRSA-N" . "InChI=1S/C144H213N41O42/c1-15-73(10)116(142(226)178-103(56-115(201)202)135(219)174-100(53-108(147)193)132(216)172-99(52-83-60-153-68-160-83)131(215)167-89(30-23-41-154-144(150)151)125(209)179-105(65-187)139(223)171-96(47-78-25-17-16-18-26-78)130(214)181-106(66-188)140(224)175-102(55-114(199)200)134(218)166-88(29-21-22-40-145)124(208)170-94(48-79-32-36-84(191)37-33-79)123(207)157-62-112(197)164-91(44-70(4)5)136(220)183-117(76(13)189)119(149)203)182-121(205)75(12)162-126(210)98(51-82-59-152-67-159-82)176-141(225)107-31-24-42-185(107)113(198)63-158-122(206)90(43-69(2)3)168-127(211)92(45-71(6)7)169-129(213)95(49-80-34-38-85(192)39-35-80)165-111(196)61-156-120(204)74(11)161-138(222)104(64-186)180-133(217)101(54-109(148)194)173-128(212)93(46-72(8)9)177-143(227)118(77(14)190)184-137(221)97(163-110(195)57-146)50-81-58-155-87-28-20-19-27-86(81)87/h16-20,25-28,32-39,58-60,67-77,88-107,116-118,155,186-192H,15,21-24,29-31,40-57,61-66,145-146H2,1-14H3,(H2,147,193)(H2,148,194)(H2,149,203)(H,152,159)(H,153,160)(H,156,204)(H,157,207)(H,158,206)(H,161,222)(H,162,210)(H,163,195)(H,164,197)(H,165,196)(H,166,218)(H,167,215)(H,168,211)(H,169,213)(H,170,208)(H,171,223)(H,172,216)(H,173,212)(H,174,219)(H,175,224)(H,176,225)(H,177,227)(H,178,226)(H,179,209)(H,180,217)(H,181,214)(H,182,205)(H,183,220)(H,184,221)(H,199,200)(H,201,202)(H4,150,151,154)/t73-,74-,75-,76+,77+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,116-,117-,118-/m0/s1" . "CCCc1ccccc1OCC(CNC(C)C)O" . "CCCc1ccccc1OCC(CNC(C)C)O" . "JVHCMYZFGCOCTD-UHFFFAOYSA-N" . "InChI=1S/C15H25NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h5-6,8-9,12,14,16-17H,4,7,10-11H2,1-3H3" . "CC(=CC=CC(=CC(=O)O)C)C=CC1=C(C)CCCC1(C)C" . "C/C(=C/C=C/C(=C/C(=O)O)/C)/C=C/C1=C(C)CCCC1(C)C" . "SHGAZHPCJJPHSC-ZVCIMWCZSA-N" . "InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+" . "NCCC[P+](=O)O" . "NCCC[P+](=O)O" . "MQIWYGZSHIXQIU-UHFFFAOYSA-O" . "InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2/p+1" . "OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CO)CCCN=C(N)N)CC(C)C)CC(C)C)CC(=O)N)C)C(O)C)C)C)N " . "CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)O" . "VKPILWKQJZPQOB-LBVMNVMQSA-N" . "InChI=1S/C48H84N16O17/c1-21(2)15-29(42(75)58-28(11-9-13-53-48(51)52)41(74)62-32(20-66)47(80)81)60-44(77)33-12-10-14-64(33)46(79)31(16-22(3)4)61-43(76)30(17-34(50)68)59-38(71)25(7)57-45(78)36(26(8)67)63-39(72)24(6)55-35(69)18-54-37(70)23(5)56-40(73)27(49)19-65/h21-33,36,65-67H,9-20,49H2,1-8H3,(H2,50,68)(H,54,70)(H,55,69)(H,56,73)(H,57,78)(H,58,75)(H,59,71)(H,60,77)(H,61,76)(H,62,74)(H,63,72)(H,80,81)(H4,51,52,53)/t23-,24-,25-,26+,27-,28-,29-,30-,31-,32-,33-,36-/m0/s1" . "O=C(c1ncc(o1)c1ccccn1)CCCCCCc1ccccc1" . "O=C(c1ncc(o1)c1ccccn1)CCCCCCc1ccccc1" . "ILOIOIGZFHGSMS-UHFFFAOYSA-N" . "InChI=1S/C21H22N2O2/c24-19(14-7-2-1-4-10-17-11-5-3-6-12-17)21-23-16-20(25-21)18-13-8-9-15-22-18/h3,5-6,8-9,11-13,15-16H,1-2,4,7,10,14H2" . "CCC(C(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccccc1)Cc1nc[nH]c1)NC(=O)C(NC(=O)C(C(C)C)N)Cc1ccc(cc1)O)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O" . "QSBGWDDCOJYQGY-KOQODJNWSA-N" . "InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)C)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(CC(=O)N)N)CO)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)C)CC(=O)O)CC(=O)N)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)Cc1nc[nH]c1)CC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O" . "FIXINIMRYLWICD-KAQLENNSSA-N" . "InChI=1S/C123H181N37O36/c1-12-63(8)100(159-102(175)65(10)141-109(182)84(42-70-49-130-57-137-70)155-120(193)92-24-19-35-160(92)97(169)54-136-104(177)78(36-60(2)3)147-110(183)80(38-62(6)7)148-111(184)82(41-69-27-31-74(164)32-28-69)144-95(167)52-134-101(174)64(9)140-118(191)90(55-161)157-103(176)75(125)45-93(126)165)121(194)156-89(48-99(172)173)117(190)153-87(46-94(127)166)115(188)152-85(43-71-50-131-58-138-71)113(186)146-77(23-18-34-133-123(128)129)107(180)158-91(56-162)119(192)150-83(39-67-20-14-13-15-21-67)112(185)151-86(44-72-51-132-59-139-72)114(187)154-88(47-98(170)171)116(189)145-76(22-16-17-33-124)106(179)149-81(40-68-25-29-73(163)30-26-68)105(178)135-53-96(168)143-79(37-61(4)5)108(181)142-66(11)122(195)196/h13-15,20-21,25-32,49-51,57-66,75-92,100,161-164H,12,16-19,22-24,33-48,52-56,124-125H2,1-11H3,(H2,126,165)(H2,127,166)(H,130,137)(H,131,138)(H,132,139)(H,134,174)(H,135,178)(H,136,177)(H,140,191)(H,141,182)(H,142,181)(H,143,168)(H,144,167)(H,145,189)(H,146,186)(H,147,183)(H,148,184)(H,149,179)(H,150,192)(H,151,185)(H,152,188)(H,153,190)(H,154,187)(H,155,193)(H,156,194)(H,157,176)(H,158,180)(H,159,175)(H,170,171)(H,172,173)(H,195,196)(H4,128,129,133)/t63-,64-,65-,66-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,100-/m0/s1" . "OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)O)CC(C)C)CC(C)C)Cc1ccc(cc1)O)C)NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(Cc1c[nH]c2c1cccc2)N)CC(C)C)CC(=O)N " . "CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)NCC(=O)O" . "MUEGHULZMXFVFL-ZHRZWFTASA-N" . "InChI=1S/C56H83N13O16/c1-27(2)17-38(50(79)61-25-46(75)76)64-51(80)39(18-28(3)4)65-53(82)41(20-32-13-15-34(72)16-14-32)63-45(74)24-60-48(77)30(7)62-55(84)43(26-70)68-54(83)42(22-44(58)73)66-52(81)40(19-29(5)6)67-56(85)47(31(8)71)69-49(78)36(57)21-33-23-59-37-12-10-9-11-35(33)37/h9-16,23,27-31,36,38-43,47,59,70-72H,17-22,24-26,57H2,1-8H3,(H2,58,73)(H,60,77)(H,61,79)(H,62,84)(H,63,74)(H,64,80)(H,65,82)(H,66,81)(H,67,85)(H,68,83)(H,69,78)(H,75,76)/t30-,31+,36-,38-,39-,40-,41-,42-,43-,47-/m0/s1" . "CNC(=NC)NCCCC(C(=O)O)N" . "CN/C(=N/C)/NCCC[C@@H](C(=O)O)N" . "HVPFXCBJHIIJGS-LURJTMIESA-N" . "InChI=1S/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1" . "CC1CCCC(O)C=CC(=O)OC23C(C=CC1)C(O)C(=C)C(C3C(NC2=O)Cc1ccccc1)C" . "C[C@@H]1CCC[C@@H](O)/C=C/C(=O)O[C@@]23[C@@H](/C=C/C1)[C@H](O)C(=C)[C@H]([C@H]3[C@@H](NC2=O)Cc1ccccc1)C" . "GBOGMAARMMDZGR-TYHYBEHESA-N" . "InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,22-,23+,24+,26+,27-,29-/m1/s1" . "O[Hg]CC(CNC(=O)c1ccccc1OCC(=O)O)OC" . "O[Hg]CC(CNC(=O)c1ccccc1OCC(=O)O)OC" . "HQRSUIDICNOLPX-UHFFFAOYSA-M" . "InChI=1S/C13H16NO5.Hg.H2O/c1-9(18-2)7-14-13(17)10-5-3-4-6-11(10)19-8-12(15)16;;/h3-6,9H,1,7-8H2,2H3,(H,14,17)(H,15,16);;1H2/q;+1;/p-1" . "NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)CC(C)C)Cc1ccc(cc1)O)C)CO)CC(=O)N)CC(C)C)C(O)C)Cc1c[nH]c2c1cccc2 " . "CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)O" . "WVBIAJKQIUYYOO-HOBSFDBDSA-N" . "InChI=1S/C56H83N13O16/c1-27(2)17-37(50(78)67-42(56(84)85)19-29(5)6)64-51(79)39(20-32-13-15-34(72)16-14-32)63-46(75)25-60-48(76)30(7)61-54(82)43(26-70)68-52(80)41(22-44(58)73)65-49(77)38(18-28(3)4)66-55(83)47(31(8)71)69-53(81)40(62-45(74)23-57)21-33-24-59-36-12-10-9-11-35(33)36/h9-16,24,27-31,37-43,47,59,70-72H,17-23,25-26,57H2,1-8H3,(H2,58,73)(H,60,76)(H,61,82)(H,62,74)(H,63,75)(H,64,79)(H,65,77)(H,66,83)(H,67,78)(H,68,80)(H,69,81)(H,84,85)/t30-,31+,37-,38-,39-,40-,41-,42-,43-,47-/m0/s1" . "CC(CC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccccc1)CCCN=C(N)N)CCC(=O)N)C(O)C)Cc1c[nH]c2c1cccc2)Cc1ccc(cc1)O)C(C)C)C(C)C)N)C " . "CC(C)C[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O)C(C)C)C(C)C" . "NBQSSMDPPLHNDC-GSOGOTFGSA-N" . "InChI=1S/C65H93N15O14/c1-34(2)29-43(66)55(84)77-53(36(5)6)61(90)78-52(35(3)4)60(89)75-48(30-39-21-23-41(82)24-22-39)63(92)80-28-14-20-50(80)59(88)74-47(32-40-33-71-44-18-12-11-17-42(40)44)58(87)79-54(37(7)81)62(91)73-46(25-26-51(67)83)57(86)72-45(19-13-27-70-65(68)69)56(85)76-49(64(93)94)31-38-15-9-8-10-16-38/h8-12,15-18,21-24,33-37,43,45-50,52-54,71,81-82H,13-14,19-20,25-32,66H2,1-7H3,(H2,67,83)(H,72,86)(H,73,91)(H,74,88)(H,75,89)(H,76,85)(H,77,84)(H,78,90)(H,79,87)(H,93,94)(H4,68,69,70)/t37-,43+,45+,46+,47+,48+,49+,50+,52+,53+,54+/m1/s1" . "CCCCCCCC(=O)OC1C(OC(=O)C(=CC)C)C(=C2C1C(C)(OC(=O)C)CC(C1(C2OC(=O)C1(C)O)O)OC(=O)CCC)C" . "CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)/C(=C/C)/C)C(=C2[C@H]1[C@@](C)(OC(=O)C)C[C@@H]([C@]1([C@H]2OC(=O)[C@@]1(C)O)O)OC(=O)CCC)C" . "IXFPJGBNCFXKPI-FSIHEZPISA-N" . "InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1" . "O=c1onc2n1c1ccccc1nc2" . "O=c1onc2n1c1ccccc1nc2" . "LZMHWZHOZLVYDL-UHFFFAOYSA-N" . "InChI=1S/C9H5N3O2/c13-9-12-7-4-2-1-3-6(7)10-5-8(12)11-14-9/h1-5H" . "CC1=CC2(OC(C1)C(C=CC1CCC3(O1)CCC1C(O3)C(O)C(=C)C(O1)C(CC(C1OC3(CCCCO3)CCC1C)C)O)C)OC(CCC2O)CC(C(=O)O)(O)C" . "CC1=C[C@]2(O[C@@H](C1)[C@@H](/C=C/[C@H]1CC[C@]3(O1)CC[C@@H]1[C@@H](O3)[C@H](O)C(=C)[C@H](O1)[C@H](C[C@@H]([C@H]1O[C@@]3(CCCCO3)CC[C@H]1C)C)O)C)O[C@@H](CC[C@H]2O)C[C@](C(=O)O)(O)C" . "QNDVLZJODHBUFM-WFXQOWMNSA-N" . "InChI=1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+/t26-,27-,28+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39-,41-,42+,43-,44-/m1/s1" . "Clc1ccc(cn1)C1CC2NC1CC2" . "Clc1ccc(cn1)[C@@H]1C[C@@H]2N[C@H]1CC2" . "NLPRAJRHRHZCQQ-UTLUCORTSA-N" . "InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m1/s1" . "O=c1cccc2n1CC1CNCC2C1" . "O=c1cccc2n1C[C@@H]1CNC[C@H]2C1" . "ANJTVLIZGCUXLD-DTWKUNHWSA-N" . "InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1" . "Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O" . "Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O" . "REFJWTPEDVJJIY-UHFFFAOYSA-N" . "InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H" . "COC(=O)C1C(O)CCC2C1CC1N(C2)CCc2c1[nH]c1c2cccc1" . "COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1" . "BLGXFZZNTVWLAY-DKJBZYCGSA-N" . "InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19-/m0/s1" . "O=C1CC2(C(C1C)C2)C(C)C" . "O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C" . "USMNOWBWPHYOEA-MRTMQBJTSA-N" . "InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1" . "NC(=O)N1c2ccccc2C=Cc2c1cccc2" . "NC(=O)N1c2ccccc2C=Cc2c1cccc2" . "FFGPTBGBLSHEPO-UHFFFAOYSA-N" . "InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)" . "CCC1(C(=O)NCNC1=O)c1ccccc1" . "CCC1(C(=O)NCNC1=O)c1ccccc1" . "DQMZLTXERSFNPB-UHFFFAOYSA-N" . "InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)" . "CCN1C(=O)C=CC1=O" . "CCN1C(=O)C=CC1=O" . "HDFGOPSGAURCEO-UHFFFAOYSA-N" . "InChI=1S/C6H7NO2/c1-2-7-5(8)3-4-6(7)9/h3-4H,2H2,1H3" . "C#CCNCC(=O)O" . "C#CCNCC(=O)O" . "XSJLQGMTIHCDSS-UHFFFAOYSA-N" . "InChI=1S/C5H7NO2/c1-2-3-6-4-5(7)8/h1,6H,3-4H2,(H,7,8)" . "OC(=O)C1(N)C2CC3C1C3(C2)C(=O)O" . "OC(=O)[C@@]1(N)[C@H]2C[C@H]3[C@@H]1[C@]3(C2)C(=O)O" . "KETJIAAJBCULKI-DPPUOXHASA-N" . "InChI=1S/C9H11NO4/c10-9(7(13)14)3-1-4-5(9)8(4,2-3)6(11)12/h3-5H,1-2,10H2,(H,11,12)(H,13,14)/t3-,4-,5+,8+,9+/m0/s1" . "NC(=N)NCC(=O)O" . "NC(=N)NCC(=O)O" . "BPMFZUMJYQTVII-UHFFFAOYSA-N" . "InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)" . "N=C(NC(C(=O)O)CC(=O)O)NCCCC(C(=O)O)N" . "N=C(N[C@H](C(=O)O)CC(=O)O)NCCC[C@@H](C(=O)O)N" . "KDZOASGQNOPSCU-WDSKDSINSA-N" . "InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1" . "COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1" . "COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1" . "HJORMJIFDVBMOB-UHFFFAOYSA-N" . "InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)" . "Nc1ncc2c(n1)CC(CC2=O)c1ccco1" . "Nc1ncc2c(n1)CC(CC2=O)c1ccco1" . "SOJUSNIBPPMLCC-UHFFFAOYSA-N" . "InChI=1S/C12H11N3O2/c13-12-14-6-8-9(15-12)4-7(5-10(8)16)11-2-1-3-17-11/h1-3,6-7H,4-5H2,(H2,13,14,15)" . "NCCCCCC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(C)(C)C)C(=O)NC(C(=O)O)CC(C)C)Cc1ccc(cc1)O)CCCNC(=N)N)C" . "NCCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccc(cc1)O)CCCNC(=N)N)C" . "BLKOJISPADSFAG-JPDBKSEFSA-N" . "InChI=1S/C40H67N9O8/c1-24(2)22-30(38(56)57)47-36(54)32(40(4,5)6)48-34(52)29(23-26-15-17-27(50)18-16-26)46-35(53)31-14-11-21-49(31)37(55)28(13-10-20-44-39(42)43)45-33(51)25(3)12-8-7-9-19-41/h15-18,24-25,28-32,50H,7-14,19-23,41H2,1-6H3,(H,45,51)(H,46,53)(H,47,54)(H,48,52)(H,56,57)(H4,42,43,44)/t25-,28-,29-,30-,31-,32+/m0/s1" . "COC(=O)CC(C(=O)CF)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(Cc1ccc(cc1)O)NC(=O)OCc1ccccc1)C" . "COC(=O)C[C@@H](C(=O)CF)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)OCc1ccccc1)C" . "MVPQJUFFTWWKBT-LBDWYMBGSA-N" . "InChI=1S/C31H39FN4O9/c1-18(2)27(30(42)33-19(3)28(40)34-23(25(38)16-32)15-26(39)44-4)36-29(41)24(14-20-10-12-22(37)13-11-20)35-31(43)45-17-21-8-6-5-7-9-21/h5-13,18-19,23-24,27,37H,14-17H2,1-4H3,(H,33,42)(H,34,40)(H,35,43)(H,36,41)/t19-,23-,24-,27-/m0/s1" . "ON(C(c1cc2c(s1)cccc2)C)C(=O)N" . "ON(C(c1cc2c(s1)cccc2)C)C(=O)N" . "MWLSOWXNZPKENC-UHFFFAOYSA-N" . "InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)" . "CCCCCCC(C(=O)O)Sc1nc(Cl)cc(n1)Nc1cccc(c1C)C" . "CCCCCCC(C(=O)O)Sc1nc(Cl)cc(n1)Nc1cccc(c1C)C" . "HVJBWTVMRIOTEL-UHFFFAOYSA-N" . "InChI=1S/C20H26ClN3O2S/c1-4-5-6-7-11-16(19(25)26)27-20-23-17(21)12-18(24-20)22-15-10-8-9-13(2)14(15)3/h8-10,12,16H,4-7,11H2,1-3H3,(H,25,26)(H,22,23,24)" . "CCc1ccc2c(n1)n(CC)c(=O)nc2c1cccc(c1)Cl" . "CCc1ccc2c(n1)n(CC)c(=O)nc2c1cccc(c1)Cl" . "MNHXYNNKDDXKNP-UHFFFAOYSA-N" . "InChI=1S/C17H16ClN3O/c1-3-13-8-9-14-15(11-6-5-7-12(18)10-11)20-17(22)21(4-2)16(14)19-13/h5-10H,3-4H2,1-2H3" . "OCc1ccc(o1)c1nn(c2c1cccc2)Cc1ccccc1" . "OCc1ccc(o1)c1nn(c2c1cccc2)Cc1ccccc1" . "OQQVFCKUDYMWGV-UHFFFAOYSA-N" . "InChI=1S/C19H16N2O2/c22-13-15-10-11-18(23-15)19-16-8-4-5-9-17(16)21(20-19)12-14-6-2-1-3-7-14/h1-11,22H,12-13H2" . "CC(C1CCC(CC1)C(=O)Nc1ccncc1)N" . "C[C@H]([C@@H]1CC[C@H](CC1)C(=O)Nc1ccncc1)N" . "IYOZTVGMEWJPKR-IJLUTSLNSA-N" . "InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1" . "O=C(N(Cc1cccc(c1)c1ccncc1)C)Oc1ccc(cc1)c1ccc(cc1)C(=O)N" . "O=C(N(Cc1cccc(c1)c1ccncc1)C)Oc1ccc(cc1)c1ccc(cc1)C(=O)N" . "QTWNORFUQILKJL-UHFFFAOYSA-N" . "InChI=1S/C27H23N3O3/c1-30(18-19-3-2-4-24(17-19)22-13-15-29-16-14-22)27(32)33-25-11-9-21(10-12-25)20-5-7-23(8-6-20)26(28)31/h2-17H,18H2,1H3,(H2,28,31)" . "NC(=N)SCCc1cccc(c1)CCSC(=N)N" . "NC(=N)SCCc1cccc(c1)CCSC(=N)N" . "YEUSLPIIQGZHQB-UHFFFAOYSA-N" . "InChI=1S/C12H18N4S2/c13-11(14)17-6-4-9-2-1-3-10(8-9)5-7-18-12(15)16/h1-3,8H,4-7H2,(H3,13,14)(H3,15,16)" . "ONC(=O)c1cc(C)cc(c1N(S(=O)(=O)c1ccc(cc1)OCCNC(=O)c1cc2c(o1)cccc2)Cc1ccccc1)C" . "ONC(=O)c1cc(C)cc(c1N(S(=O)(=O)c1ccc(cc1)OCCNC(=O)c1cc2c(o1)cccc2)Cc1ccccc1)C" . "FARMEEAGJWMFSZ-UHFFFAOYSA-N" . "InChI=1S/C33H31N3O7S/c1-22-18-23(2)31(28(19-22)32(37)35-39)36(21-24-8-4-3-5-9-24)44(40,41)27-14-12-26(13-15-27)42-17-16-34-33(38)30-20-25-10-6-7-11-29(25)43-30/h3-15,18-20,39H,16-17,21H2,1-2H3,(H,34,38)(H,35,37)" . "Fc1cccc(c1)N1CNC(=O)C21CCN(CC2)CCNC(=O)c1ccc2c(c1)cccc2" . "Fc1cccc(c1)N1CNC(=O)C21CCN(CC2)CCNC(=O)c1ccc2c(c1)cccc2" . "MSTXJJGAXXJCBY-UHFFFAOYSA-N" . "InChI=1S/C26H27FN4O2/c27-22-6-3-7-23(17-22)31-18-29-25(33)26(31)10-13-30(14-11-26)15-12-28-24(32)21-9-8-19-4-1-2-5-20(19)16-21/h1-9,16-17H,10-15,18H2,(H,28,32)(H,29,33)" . "CC(CCCC(CCCC(C)C)C)CCCC(=CCc1c(C)c(O)c2c(c1O)cccc2)C" . "C[C@H](CCC[C@@H](CCCC(C)C)C)CCC/C(=C/Cc1c(C)c(O)c2c(c1O)cccc2)/C" . "BUFJIHPUGZHTHL-NKFFZRIASA-N" . "InChI=1S/C31H48O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24,32-33H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1" . "CCOC(=O)C1=CC2(CC)CCCN3C2c2n1c1ccccc1c2CC3" . "CCOC(=O)C1=C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3" . "DDNCQMVWWZOMLN-IRLDBZIGSA-N" . "InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1" . "COc1ccc2c(c1)CCC1C2CCC2(C1CCC2NCCCCCCN1C(=O)C=CC1=O)C" . "COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2NCCCCCCN1C(=O)C=CC1=O)C" . "LUFAORPFSVMJIW-ZRJUGLEFSA-N" . "InChI=1S/C29H40N2O3/c1-29-16-15-23-22-10-8-21(34-2)19-20(22)7-9-24(23)25(29)11-12-26(29)30-17-5-3-4-6-18-31-27(32)13-14-28(31)33/h8,10,13-14,19,23-26,30H,3-7,9,11-12,15-18H2,1-2H3/t23-,24-,25+,26+,29+/m1/s1" . "N#CC(=C(Sc1ccccc1N)N)C(=C(Sc1ccccc1N)N)C#N" . "N#C/C(=C(/Sc1ccccc1N)/N)/C(=C(/Sc1ccccc1N)/N)/C#N" . "DVEXZJFMOKTQEZ-JYFOCSDGSA-N" . "InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8H,21-24H2/b17-11+,18-12+" . "NC1CC1c1ccccc1" . "NC1CC1c1ccccc1" . "AELCINSCMGFISI-UHFFFAOYSA-N" . "InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2" . "CCCCCCCCCCCCCCOc1ccc(o1)C(=O)O" . "CCCCCCCCCCCCCCOc1ccc(o1)C(=O)O" . "CZRCFAOMWRAFIC-UHFFFAOYSA-N" . "InChI=1S/C19H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18-15-14-17(23-18)19(20)21/h14-15H,2-13,16H2,1H3,(H,20,21)" . "C=Cc1c2C=c3[n-]c(=Cc4[n-]c(C=c5[n-]c(=Cc(c1C)[n-]2)c(C=C)c5C)c(c4CCC(=O)O)C)c(c3C)CCC(=O)O.[Sn+4]" . "C=Cc1c2/C=c/3/[n-]c(=Cc4[n-]c(/C=c/5/[n-]/c(=C/c(c1C)[n-]2)/c(C=C)c5C)c(c4CCC(=O)O)C)c(c3C)CCC(=O)O.[Sn+4]" . "VWEYNEFKXXWVHZ-IBPJAKCHSA-N" . "InChI=1S/C34H32N4O4.Sn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42);/q-4;+4/b25-13-,26-13?,27-14?,28-15-,29-14-,30-15?,31-16?,32-16?;" . "SCC(C(=O)NCC(=O)O)Cc1ccccc1" . "SC[C@H](C(=O)NCC(=O)O)Cc1ccccc1" . "LJJKNPQAGWVLDQ-SNVBAGLBSA-N" . "InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m1/s1" . "CCCCCCCCCCCC(CC1OC(=O)C1CCCCCC)OC(=O)C(CC(C)C)NC=O" . "CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O" . "AHLBNYSZXLDEJQ-FWEHEUNISA-N" . "InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1" . "CC(C(C1CNc2c(N1)c(=O)[nH]c(n2)N)O)O" . "C[C@@H]([C@@H]([C@H]1CNc2c(N1)c(=O)[nH]c(n2)N)O)O" . "FNKQXYHWGSIFBK-RPDRRWSUSA-N" . "InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1" . "COC(=O)c1c(c2cc(OC)c(c(c2)OC)OC)c2ccnc(c2c(=O)n1Cc1ccnc(c1)C)OCc1ncccn1" . "COC(=O)c1c(c2cc(OC)c(c(c2)OC)OC)c2ccnc(c2c(=O)n1Cc1ccnc(c1)C)OCc1ncccn1" . "JEMJAABFSYOLAP-UHFFFAOYSA-N" . "InChI=1S/C31H29N5O7/c1-18-13-19(7-11-32-18)16-36-27(31(38)42-5)25(20-14-22(39-2)28(41-4)23(15-20)40-3)21-8-12-35-29(26(21)30(36)37)43-17-24-33-9-6-10-34-24/h6-15H,16-17H2,1-5H3" . "OC(=O)c1ccc2c3c1cccc3c(=O)n1c2nc2c1cccc2" . "OC(=O)c1ccc2c3c1cccc3c(=O)n1c2nc2c1cccc2" . "MYKOWOGZBMOVBJ-UHFFFAOYSA-N" . "InChI=1S/C19H10N2O3/c22-18-13-5-3-4-10-11(19(23)24)8-9-12(16(10)13)17-20-14-6-1-2-7-15(14)21(17)18/h1-9H,(H,23,24)" . "O=c1c2ccccc2c2c3c1cccc3[nH]n2" . "O=c1c2ccccc2c2c3c1cccc3[nH]n2" . "ACPOUJIDANTYHO-UHFFFAOYSA-N" . "InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)" . "N#Cc1c(C)nn(c1NC(=O)NS(=O)(=O)c1ccc(cc1)Cl)c1ccccc1.[Na+]" . "N#Cc1c(C)nn(c1NC(=O)NS(=O)(=O)c1ccc(cc1)Cl)c1ccccc1.[Na+]" . "XJBBHNFWWJTEGW-UHFFFAOYSA-N" . "InChI=1S/C18H14ClN5O3S.Na/c1-12-16(11-20)17(24(22-12)14-5-3-2-4-6-14)21-18(25)23-28(26,27)15-9-7-13(19)8-10-15;/h2-10H,1H3,(H2,21,23,25);/q;+1" . "Cn1c(=O)c2[nH]c(nc2n2c1=NC1C2CCC1)Cc1ccc(cc1)C(F)(F)F" . "Cn1c(=O)c2[nH]c(nc2n2c1=N[C@H]1[C@@H]2CCC1)Cc1ccc(cc1)C(F)(F)F" . "JOSMPBVYYKRYLG-OLZOCXBDSA-N" . "InChI=1S/C19H18F3N5O/c1-26-17(28)15-16(27-13-4-2-3-12(13)23-18(26)27)25-14(24-15)9-10-5-7-11(8-6-10)19(20,21)22/h5-8,12-13H,2-4,9H2,1H3,(H,24,25)/t12-,13+/m1/s1" . "Fc1ccc(cc1)c1nc([nH]c1c1ccncc1)c1ccc(cc1)S(=O)C" . "Fc1ccc(cc1)c1nc([nH]c1c1ccncc1)c1ccc(cc1)S(=O)C" . "CDMGBJANTYXAIV-UHFFFAOYSA-N" . "InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)" . "NC(=NN=C1CCc2c1cccc2C(=N)N)N" . "NC(=N/N=C/1/CCc2c1cccc2C(=N)N)N" . "CYPGNVSXMAUSJY-CXUHLZMHSA-N" . "InChI=1S/C11H14N6/c12-10(13)8-3-1-2-7-6(8)4-5-9(7)16-17-11(14)15/h1-3H,4-5H2,(H3,12,13)(H4,14,15,17)/b16-9+" . "NC(C(=O)O)CC=C" . "N[C@H](C(=O)O)CC=C" . "WNNNWFKQCKFSDK-BYPYZUCNSA-N" . "InChI=1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)/t4-/m0/s1" . "COc1cccc(c1N)c1cc(=O)c2c(o1)cccc2" . "COc1cccc(c1N)c1cc(=O)c2c(o1)cccc2" . "QFWCYNPOPKQOKV-UHFFFAOYSA-N" . "InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3" . "OC(=O)C(CCSCC1OC(C(C1O)O)n1cnc2c1ncnc2N)N" . "OC(=O)[C@H](CCSC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)N" . "ZJUKTBDSGOFHSH-WFMPWKQPSA-N" . "InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1" . "OB(CCSCC(C(=O)O)N)O" . "OB(CCSC[C@@H](C(=O)O)N)O" . "OTJHLDXXJHAZTN-BYPYZUCNSA-N" . "InChI=1S/C5H12BNO4S/c7-4(5(8)9)3-12-2-1-6(10)11/h4,10-11H,1-3,7H2,(H,8,9)/t4-/m0/s1" . "CN(CC1OCCn2cc(c3c2cccc3)C2=C(c3cn(CC1)c1ccccc31)C(=O)NC2=O)C" . "CN(C[C@H]1OCCn2cc(c3c2cccc3)C2=C(c3cn(CC1)c1ccccc31)C(=O)NC2=O)C" . "ZCBUQCWBWNUWSU-SFHVURJKSA-N" . "InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1" . "OC1C2OP(=S)(O)OCC2OC1n1cnc2c1ncnc2N" . "O[C@@H]1[C@@H]2O[P@@](=S)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2N" . "SMPNJFHAPJOHPP-PUHOFUEYSA-N" . "InChI=1S/C10H12N5O5PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(19-10)1-18-21(17,22)20-7/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13)/t4-,6-,7-,10-,21-/m1/s1" . "OCC1OC(CC1O)n1cnc2c1NC=NCC2O" . "OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1NC=NC[C@H]2O" . "FPVKHBSQESCIEP-JQCXWYLXSA-N" . "InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1" . "OC1C2OP(O)(S)OCC2OC1n1c(Sc2ccc(cc2)Cl)nc2c1nc(N)[nH]c2=O" . "O[C@H]1C2OP(O)(S)OC[C@H]2OC1n1c(Sc2ccc(cc2)Cl)nc2c1nc(N)[nH]c2=O" . "DACIPZKKJBVMPL-BRBYWKQGSA-N" . "InChI=1S/C16H17ClN5O6PS2/c17-6-1-3-7(4-2-6)31-16-19-9-12(20-15(18)21-13(9)24)22(16)14-10(23)11-8(27-14)5-26-29(25,30)28-11/h1-4,8,10-11,14,23,25,29-30H,5H2,(H3,18,20,21,24)/t8-,10+,11?,14?/m1/s1" . "COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1" . "COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1" . "HJORMJIFDVBMOB-UHFFFAOYSA-N" . "InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)" . "NC(=N)SCCCn1cc(c2c1cccc2)C1=C(C(=O)NC1=O)c1cn(c2c1cccc2)C" . "NC(=N)SCCCn1cc(c2c1cccc2)C1=C(C(=O)NC1=O)c1cn(c2c1cccc2)C" . "DSXXEELGXBCYNQ-UHFFFAOYSA-N" . "InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32)" . "CCCCOc1cc(ccc1OC)CC1CNC(=O)N1" . "CCCCOc1cc(ccc1OC)CC1CNC(=O)N1" . "PDMUULPVBYQBBK-UHFFFAOYSA-N" . "InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)" . "COC(=O)N(c1c(N)nc(nc1N)c1nn(c2c1cccn2)Cc1ccccc1F)C" . "COC(=O)N(c1c(N)nc(nc1N)c1nn(c2c1cccn2)Cc1ccccc1F)C" . "WXXSNCNJFUAIDG-UHFFFAOYSA-N" . "InChI=1S/C20H19FN8O2/c1-28(20(30)31-2)15-16(22)25-18(26-17(15)23)14-12-7-5-9-24-19(12)29(27-14)10-11-6-3-4-8-13(11)21/h3-9H,10H2,1-2H3,(H4,22,23,25,26)" . "O=C(ON=C1CCCCC1)NCCCCCCNC(=O)ON=C1CCCCC1" . "O=C(ON=C1CCCCC1)NCCCCCCNC(=O)ON=C1CCCCC1" . "RXSVYGIGWRDVQC-UHFFFAOYSA-N" . "InChI=1S/C20H34N4O4/c25-19(27-23-17-11-5-3-6-12-17)21-15-9-1-2-10-16-22-20(26)28-24-18-13-7-4-8-14-18/h1-16H2,(H,21,25)(H,22,26)" . "O=Cc1c(COP(=O)(O)O)cnc(c1O)C" . "O=Cc1c(COP(=O)(O)O)cnc(c1O)C" . "NGVDGCNFYWLIFO-UHFFFAOYSA-N" . "InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)" . "CCC(=O)SCCNC(=O)CCNC(=O)C(C(COP(=O)(OP(=O)(OCC1OC(C(C1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O" . "CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O" . "QAQREVBBADEHPA-IEXPHMLFSA-N" . "InChI=1S/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19+,23-/m1/s1" . "CCCCCC(C=CC1C2OOC(C1CC=CCCCC(=O)O)C2)OO" . "CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OO[C@H]([C@@H]1C/C=C/CCCC(=O)O)C2)OO" . "SGUKUZOVHSFKPH-YNNPMVKQSA-N" . "InChI=1S/C20H32O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h4,7,12-13,15-19,23H,2-3,5-6,8-11,14H2,1H3,(H,21,22)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1" . "O=C(N1CCC(CC1)Cc1cnc2c(c1)cccc2)Nc1ccccc1" . "O=C(N1CCC(CC1)Cc1cnc2c(c1)cccc2)Nc1ccccc1" . "BIODYGOZWZNCAG-UHFFFAOYSA-N" . "InChI=1S/C22H23N3O/c26-22(24-20-7-2-1-3-8-20)25-12-10-17(11-13-25)14-18-15-19-6-4-5-9-21(19)23-16-18/h1-9,15-17H,10-14H2,(H,24,26)" . "O=C(N1CCC(CC1)Cc1cccc(c1)Oc1ccc(cn1)C(F)(F)F)Nc1cccnc1" . "O=C(N1CCC(CC1)Cc1cccc(c1)Oc1ccc(cn1)C(F)(F)F)Nc1cccnc1" . "NBOJHRYUGLRASX-UHFFFAOYSA-N" . "InChI=1S/C24H23F3N4O2/c25-24(26,27)19-6-7-22(29-15-19)33-21-5-1-3-18(14-21)13-17-8-11-31(12-9-17)23(32)30-20-4-2-10-28-16-20/h1-7,10,14-17H,8-9,11-13H2,(H,30,32)" . "C=CCc1cccc(c1O)C=NNC(=O)CN1CCN(CC1)Cc1ccccc1" . "C=CCc1cccc(c1O)/C=N/NC(=O)CN1CCN(CC1)Cc1ccccc1" . "YQNRVGJCPCNMKT-JLPGSUDCSA-N" . "InChI=1S/C23H28N4O2/c1-2-7-20-10-6-11-21(23(20)29)16-24-25-22(28)18-27-14-12-26(13-15-27)17-19-8-4-3-5-9-19/h2-6,8-11,16,29H,1,7,12-15,17-18H2,(H,25,28)/b24-16-" . "OC(=O)CC(=O)C(=O)O" . "OC(=O)CC(=O)C(=O)O" . "KHPXUQMNIQBQEV-UHFFFAOYSA-N" . "InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)" . "C=C[C@@]1(C)CC(=O)[C@]2([C@@](O1)(C)[C@@H](OC(=O)C)[C@H]([C@@H]1[C@]2(C)[C@@H](O)CCC1(C)C)OC(=O)CCC(C)C)O" . "C=C[C@@]1(C)CC(=O)[C@]2([C@@](O1)(C)[C@@H](OC(=O)C)[C@H]([C@@H]1[C@]2(C)[C@@H](O)CCC1(C)C)OC(=O)CCC(C)C)O" . "DOIXLDJOYNGJJP-SMIGQZBFSA-N" . "InChI=1S/C28H44O8/c1-10-25(7)15-19(31)28(33)26(8)18(30)13-14-24(5,6)22(26)21(35-20(32)12-11-16(2)3)23(34-17(4)29)27(28,9)36-25/h10,16,18,21-23,30,33H,1,11-15H2,2-9H3/t18-,21-,22-,23-,25-,26-,27+,28-/m0/s1" . "CC(=N)NCCCCC(C(=O)O)N" . "CC(=N)NCCCC[C@H](C(=O)O)N" . "ONYFNWIHJBLQKE-SSDOTTSWSA-N" . "InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m1/s1" . "COc1ccc2c(c1)ccc(c2)C(C(=O)O)C" . "COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)O)C" . "CMWTZPSULFXXJA-VIFPVBQESA-N" . "InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1" . "OC(=O)C(CCCNC(=N)N(C)C)N" . "OC(=O)[C@H](CCCNC(=N)N(C)C)N" . "YDGMGEXADBMOMJ-LURJTMIESA-N" . "InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1" . "OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2NCc1ccccc1" . "O[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2NCc1ccccc1" . "GDDBIAMRTVTOBL-LSCFUAHRSA-N" . "InChI=1S/C17H18N5O6P/c23-13-14-11(7-26-29(24,25)28-14)27-17(13)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23H,6-7H2,(H,24,25)(H,18,19,20)/t11-,13-,14-,17-/m1/s1" . "ONC(=NCCCC(C(=O)O)N)N" . "ONC(=NCCCC(C(=O)O)N)N" . "FQWRAVYMZULPNK-UHFFFAOYSA-N" . "InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)" . "N#Cc1cc(c2ccncc2)c([nH]c1=O)C" . "N#Cc1cc(c2ccncc2)c([nH]c1=O)C" . "PZRHRDRVRGEVNW-UHFFFAOYSA-N" . "InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)" . "O=C(C(c1cccnc1)(C)C)c1cccnc1" . "O=C(C(c1cccnc1)(C)C)c1cccnc1" . "FJLBFSROUSIWMA-UHFFFAOYSA-N" . "InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3" . "O=C(NCCSC(=O)C(C(=O)O)C)CCNC(=O)C(C(COP(=O)(OP(=O)(OCC1OC(C(C1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O" . "O=C(NCCSC(=O)C(C(=O)O)C)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O" . "MZFOKIKEPGUZEN-FBMOWMAESA-N" . "InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12?,13-,16-,17-,18+,22-/m1/s1" . "CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC" . "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OC" . "OFIDNKMQBYGNIW-ZKWNWVNESA-N" . "InChI=1S/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3/b8-7-,11-10-,14-13-,17-16-" . "ONC(=O)C(C(C(=O)NC(C(C)(C)C)C(=O)NC)CC(C)C)O" . "ONC(=O)[C@H]([C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)NC)CC(C)C)O" . "OCSMOTCMPXTDND-OUAUKWLOSA-N" . "InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1" . "O=C(NCCSC(=O)CC(=O)O)CCNC(=O)C(C(COP(=O)(OP(=O)(OCC1OC(C(C1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O" . "O=C(NCCSC(=O)CC(=O)O)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O" . "LTYOQGRJFJAKNA-DVVLENMVSA-N" . "InChI=1S/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/t12-,17-,18-,19+,23-/m1/s1" . "CCCCCC=CCC=CCC=CCC=CCCCCOP(=O)(OC)F" . "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCOP(=O)(OC)F" . "HNVKMEOEBANRAT-ZKWNWVNESA-N" . "InChI=1S/C21H36FO3P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-26(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-" . "OC(=O)C(Cc1ccc(c(c1)O)O)(N)C" . "OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C" . "CJCSPKMFHVPWAR-JTQLQIEISA-N" . "InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/t10-/m0/s1" . "COc1ccc(cc1)c1sc(nc1c1ccc(cc1)OC)C(=O)N1CCN(CC1)C" . "COc1ccc(cc1)c1sc(nc1c1ccc(cc1)OC)C(=O)N1CCN(CC1)C" . "UBHKJRYGKOSQDJ-UHFFFAOYSA-N" . "InChI=1S/C23H25N3O3S/c1-25-12-14-26(15-13-25)23(27)22-24-20(16-4-8-18(28-2)9-5-16)21(30-22)17-6-10-19(29-3)11-7-17/h4-11H,12-15H2,1-3H3" . "CCCCCC(C(C=CC=CC=CC=CC(CCCC(=O)O)O)O)O" . "CCCCC[C@@H]([C@@H](/C=C/C=C/C=C/C=C/[C@H](CCCC(=O)O)O)O)O" . "UXVRTOKOJOMENI-WLPVFMORSA-N" . "InChI=1S/C20H32O5/c1-2-3-8-14-18(22)19(23)15-10-7-5-4-6-9-12-17(21)13-11-16-20(24)25/h4-7,9-10,12,15,17-19,21-23H,2-3,8,11,13-14,16H2,1H3,(H,24,25)/b6-4-,7-5+,12-9+,15-10+/t17-,18+,19-/m1/s1" . "Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O" . "Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O" . "IQPNAANSBPBGFQ-UHFFFAOYSA-N" . "InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H" . "CCCCCC=CCC=CC=CC=CC1OC1CCCC(=O)O" . "CCCCC/C=C/C/C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC(=O)O" . "UFPQIRYSPUYQHK-WAQVJNLQSA-N" . "InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-13,15,18-19H,2-5,8,14,16-17H2,1H3,(H,21,22)/b7-6-,10-9-,12-11+,15-13+/t18-,19-/m0/s1" . "COC(=O)C(CCCNC(=N)NN(=O)=O)N" . "COC(=O)[C@H](CCCNC(=N)NN(=O)=O)N" . "KCWZGJVSDFYRIX-YFKPBYRVSA-N" . "InChI=1S/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)/t5-/m0/s1" . "Clc1cccc(c1)C(n1cncc1)c1ccc2c(c1)nc[nH]2" . "Clc1cccc(c1)C(n1cncc1)c1ccc2c(c1)nc[nH]2" . "UGFHIPBXIWJXNA-UHFFFAOYSA-N" . "InChI=1S/C17H13ClN4/c18-14-3-1-2-12(8-14)17(22-7-6-19-11-22)13-4-5-15-16(9-13)21-10-20-15/h1-11,17H,(H,20,21)" . "N#Cc1ccc(cc1)C(n1cncn1)c1ccc(cc1)C#N" . "N#Cc1ccc(cc1)C(n1cncn1)c1ccc(cc1)C#N" . "HPJKCIUCZWXJDR-UHFFFAOYSA-N" . "InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H" . "Oc1ccc(cc1)OC(P(=O)(O)O)(P(=O)(O)O)C" . "Oc1ccc(cc1)OC(P(=O)(O)O)(P(=O)(O)O)C" . "JKOCAAWWDVHWKB-UHFFFAOYSA-N" . "InChI=1S/C8H12O8P2/c1-8(17(10,11)12,18(13,14)15)16-7-4-2-6(9)3-5-7/h2-5,9H,1H3,(H2,10,11,12)(H2,13,14,15)" . "O=C(N1CCC(CC1)C(c1ccc2c(c1)OCO2)(c1ccc2c(c1)OCO2)O)Oc1ccc(cc1)[N+](=O)[O-]" . "O=C(N1CCC(CC1)C(c1ccc2c(c1)OCO2)(c1ccc2c(c1)OCO2)O)Oc1ccc(cc1)[N+](=O)[O-]" . "SEGYOKHGGFKMCX-UHFFFAOYSA-N" . "InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2" . "O=C(N1CCN(CC1)c1snc(n1)c1ccccc1)Nc1ccccc1" . "O=C(N1CCN(CC1)c1snc(n1)c1ccccc1)Nc1ccccc1" . "BHBOSTKQCZEAJM-UHFFFAOYSA-N" . "InChI=1S/C19H19N5OS/c25-18(20-16-9-5-2-6-10-16)23-11-13-24(14-12-23)19-21-17(22-26-19)15-7-3-1-4-8-15/h1-10H,11-14H2,(H,20,25)" . "OC1C(OP(=O)(O)O)C(O)C(C(C1O)O)O" . "O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](O)[C@H]([C@@H]([C@@H]1O)O)O" . "INAPMGSXUVUWAF-CNWJWELYSA-N" . "InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3-,4+,5-,6-/m0/s1" . "OC1C(OP(=O)(O)O)C(O)C(C(C1O)O)O" . "O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](O)[C@@H]([C@H]([C@@H]1O)O)O" . "INAPMGSXUVUWAF-PTQMNWPWSA-N" . "InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3+,4-,5-,6-/m0/s1" . "OC1C(OP(=O)(O)O)C(O)C(C(C1O)O)O" . "O[C@H]1[C@H](OP(=O)(O)O)[C@H](O)[C@@H]([C@H]([C@@H]1O)O)O" . "INAPMGSXUVUWAF-UOTPTPDRSA-N" . "InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3+,4-,5-,6-/m1/s1" . "OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(C(C1OP(=O)(O)O)O)OP(=O)(O)O" . "O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O" . "CIPFCGZLFXVXBG-CNWJWELYSA-N" . "InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3-,4+,5-,6-/m0/s1" . "NC(C(=O)O)CCS" . "N[C@H](C(=O)O)CCS" . "FFFHZYDWPBMWHY-VKHMYHEASA-N" . "InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1" . "CCn1c(nc2c1c(OCC1CCCNC1)cnc2C#CC(O)(C)C)c1nonc1N" . "CCn1c(nc2c1c(OC[C@H]1CCCNC1)cnc2C#CC(O)(C)C)c1nonc1N" . "KGPGFQWBCSZGEL-ZDUSSCGKSA-N" . "InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1" . "OCC(CO)O" . "OCC(CO)O" . "PEDCQBHIVMGVHV-UHFFFAOYSA-N" . "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)O)CCCN=C(N)N)CCCCN)C(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)C)C(CC)C)Cc1ccccc1)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1nc[nH]c1)N)CC(=O)O)CCC(=O)O)Cc1ccccc1)CCC(=O)O)CCCN=C(N)N)Cc1nc[nH]c1)C)CCC(=O)O)Cc1ccccc1)CO)CC(=O)O)CO)CO)Cc1ccc(cc1)O)CC(C)C)CCC(=O)O)CCC(=O)N)C)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C" . "UKVFVQPAANCXIL-FJVFSOETSA-N" . "InChI=1S/C186H275N51O59/c1-17-94(10)149(182(294)209-98(14)155(267)220-128(73-105-78-199-111-42-28-27-41-109(105)111)171(283)223-123(68-91(4)5)173(285)234-147(92(6)7)180(292)219-113(43-29-31-63-187)158(270)200-81-136(245)210-112(45-33-65-197-185(191)192)157(269)203-84-146(262)263)236-174(286)126(70-102-37-23-19-24-38-102)225-165(277)120(55-61-142(254)255)216-162(274)114(44-30-32-64-188)212-153(265)96(12)206-152(264)95(11)207-161(273)118(51-57-135(190)244)211-137(246)82-201-160(272)117(53-59-140(250)251)215-168(280)122(67-90(2)3)222-170(282)125(72-104-47-49-108(243)50-48-104)226-177(289)132(85-238)230-179(291)134(87-240)231-181(293)148(93(8)9)235-176(288)131(77-145(260)261)228-178(290)133(86-239)232-184(296)151(100(16)242)237-175(287)127(71-103-39-25-20-26-40-103)229-183(295)150(99(15)241)233-138(247)83-202-159(271)116(52-58-139(248)249)213-154(266)97(13)208-167(279)129(75-107-80-196-89-205-107)227-163(275)115(46-34-66-198-186(193)194)214-164(276)119(54-60-141(252)253)217-169(281)124(69-101-35-21-18-22-36-101)224-166(278)121(56-62-143(256)257)218-172(284)130(76-144(258)259)221-156(268)110(189)74-106-79-195-88-204-106/h18-28,35-42,47-50,78-80,88-100,110,112-134,147-151,199,238-243H,17,29-34,43-46,51-77,81-87,187-189H2,1-16H3,(H2,190,244)(H,195,204)(H,196,205)(H,200,270)(H,201,272)(H,202,271)(H,203,269)(H,206,264)(H,207,273)(H,208,279)(H,209,294)(H,210,245)(H,211,246)(H,212,265)(H,213,266)(H,214,276)(H,215,280)(H,216,274)(H,217,281)(H,218,284)(H,219,292)(H,220,267)(H,221,268)(H,222,282)(H,223,283)(H,224,278)(H,225,277)(H,226,289)(H,227,275)(H,228,290)(H,229,295)(H,230,291)(H,231,293)(H,232,296)(H,233,247)(H,234,285)(H,235,288)(H,236,286)(H,237,287)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H4,191,192,197)(H4,193,194,198)/t94-,95-,96-,97-,98-,99+,100+,110-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,147-,148-,149-,150-,151-/m0/s1" . "CN(CCCn1cc(c2c1cccc2)C1=C(C(=O)NC1=O)c1c[nH]c2c1cccc2)C" . "CN(CCCn1cc(c2c1cccc2)C1=C(C(=O)NC1=O)c1c[nH]c2c1cccc2)C" . "QMGUOJYZJKLOLH-UHFFFAOYSA-N" . "InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)" . "COc1ccc2c(c1)c(cn2CCCN(C)C)C1=C(C(=O)NC1=O)c1c[nH]c2c1cccc2" . "COc1ccc2c(c1)c(cn2CCCN(C)C)C1=C(C(=O)NC1=O)c1c[nH]c2c1cccc2" . "LLJJDLHGZUOMQP-UHFFFAOYSA-N" . "InChI=1S/C26H26N4O3/c1-29(2)11-6-12-30-15-20(18-13-16(33-3)9-10-22(18)30)24-23(25(31)28-26(24)32)19-14-27-21-8-5-4-7-17(19)21/h4-5,7-10,13-15,27H,6,11-12H2,1-3H3,(H,28,31,32)" . "C=CC1(C)CC(=O)C2(C(O1)(C)C(OC(=O)C)C(C1C2(C)C(O)CCC1(C)C)O)O" . "C=C[C@@]1(C)CC(=O)[C@]2([C@@](O1)(C)[C@@H](OC(=O)C)[C@H]([C@@H]1[C@]2(C)[C@@H](O)CCC1(C)C)O)O" . "OHCQJHSOBUTRHG-KGGHGJDLSA-N" . "InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1" . "NC(C(=O)O)(CF)Cc1cnc[nH]1" . "NC(C(=O)O)(CF)Cc1cnc[nH]1" . "AJFGLTPLWPTALJ-UHFFFAOYSA-N" . "InChI=1S/C7H10FN3O2/c8-3-7(9,6(12)13)1-5-2-10-4-11-5/h2,4H,1,3,9H2,(H,10,11)(H,12,13)" . "O=c1[nH]c(=O)c2c(n1)n(CC(C(C(COP(=O)(O)O)O)O)O)c1c(n2)cc(c(c1)C)C" . "O=c1[nH]c(=O)c2c(n1)n(C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)c1c(n2)cc(c(c1)C)C" . "FVTCRASFADXXNN-SCRDCRAPSA-N" . "InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1" . "O=c1[nH]c(=O)c2c(n1)n(CC(C(C(COP(=O)(OP(=O)(OCC1OC(C(C1O)O)n1cnc3c1ncnc3N)O)O)O)O)O)c1c(n2)cc(c(c1)C)C" . "O=c1[nH]c(=O)c2c(n1)n(C[C@@H]([C@@H]([C@@H](COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc3c1ncnc3N)O)O)O)O)O)c1c(n2)cc(c(c1)C)C" . "VWWQXMAJTJZDQX-UYBVJOGSSA-N" . "InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1" . "Oc1ccc2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O" . "Oc1ccc2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O" . "XHEFDIBZLJXQHF-UHFFFAOYSA-N" . "InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H" . "O=S(=O)(c1cccc2c1ccnc2)N1CCNCCC1" . "O=S(=O)(c1cccc2c1ccnc2)N1CCNCCC1" . "NGOGFTYYXHNFQH-UHFFFAOYSA-N" . "InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2" . "O=c1ccc2c(o1)cc(c(c2)O)O" . "O=c1ccc2c(o1)cc(c(c2)O)O" . "ILEDWLMCKZNDJK-UHFFFAOYSA-N" . "InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H" . "CCCCCCC(n1cnc2c1ncnc2[NH3+])C(O)C.[Cl-]" . "CCCCCC[C@H](n1cnc2c1ncnc2[NH3+])[C@H](O)C.[Cl-]" . "VVDXNJRUNJMYOZ-DHXVBOOMSA-N" . "InChI=1S/C14H23N5O.ClH/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19;/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17);1H/t10-,11+;/m1./s1" . "OCC1OC(C(C1O)O)n1cnc2c1cc(Cl)c(c2)Cl" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1cc(Cl)c(c2)Cl" . "XHSQDZXAVJRBMX-DDHJBXDOSA-N" . "InChI=1S/C12H12Cl2N2O4/c13-5-1-7-8(2-6(5)14)16(4-15-7)12-11(19)10(18)9(3-17)20-12/h1-2,4,9-12,17-19H,3H2/t9-,10-,11-,12-/m1/s1" . "CNC" . "CNC" . "ROSDSFDQCJNGOL-UHFFFAOYSA-N" . "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3" . "NCCCC(C(=O)O)(C(F)F)N" . "NCCCC(C(=O)O)(C(F)F)N" . "VLCYCQAOQCDTCN-UHFFFAOYSA-N" . "InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)" . "OC(=O)c1ccc(cc1)OCCn1cncc1" . "OC(=O)c1ccc(cc1)OCCn1cncc1" . "XQGZSYKGWHUSDH-UHFFFAOYSA-N" . "InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)" . "NC(C(=O)O)CCSCC(C(=O)O)N" . "N[C@H](C(=O)O)CCSC[C@@H](C(=O)O)N" . "ILRYLPWNYFXEMH-WHFBIAKZSA-N" . "InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1" . "COC1C2OP(=O)(O)OCC2OC1n1c(Sc2ccc(cc2)Cl)nc2c1ncnc2N" . "CO[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]2O[C@H]1n1c(Sc2ccc(cc2)Cl)nc2c1ncnc2N" . "BCGHHRAUZWOTNH-XNIJJKJLSA-N" . "InChI=1S/C17H17ClN5O6PS/c1-26-13-12-10(6-27-30(24,25)29-12)28-16(13)23-15-11(14(19)20-7-21-15)22-17(23)31-9-4-2-8(18)3-5-9/h2-5,7,10,12-13,16H,6H2,1H3,(H,24,25)(H2,19,20,21)/t10-,12-,13-,16-/m1/s1" . "OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)CCC12C" . "OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)CC(=O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C" . "MFYSYFVPBJMHGN-ZPOLXVRWSA-N" . "InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1" . "O=C(c1cc2c(o1)cccc2)NCCCCN1CCOCC1" . "O=C(c1cc2c(o1)cccc2)NCCCCN1CCOCC1" . "KUJQEQAVMNFFAO-UHFFFAOYSA-N" . "InChI=1S/C17H22N2O3/c20-17(16-13-14-5-1-2-6-15(14)22-16)18-7-3-4-8-19-9-11-21-12-10-19/h1-2,5-6,13H,3-4,7-12H2,(H,18,20)" . "Cc1nccn1c1ccc(cc1)Sc1cccc(c1)C1(CCOCC1)C(=O)N" . "Cc1nccn1c1ccc(cc1)Sc1cccc(c1)C1(CCOCC1)C(=O)N" . "VPTONMHDLLMOOV-UHFFFAOYSA-N" . "InChI=1S/C22H23N3O2S/c1-16-24-11-12-25(16)18-5-7-19(8-6-18)28-20-4-2-3-17(15-20)22(21(23)26)9-13-27-14-10-22/h2-8,11-12,15H,9-10,13-14H2,1H3,(H2,23,26)" . "OC(=O)CCCCN(Cc1ccc(cc1)C(=O)O)CCc1ccccc1OCc1ccc(cc1)CCc1ccccc1" . "OC(=O)CCCCN(Cc1ccc(cc1)C(=O)O)CCc1ccccc1OCc1ccc(cc1)CCc1ccccc1" . "WPYWMXNXEZFMAK-UHFFFAOYSA-N" . "InChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41)" . "OC(=O)C(CSCCCCC=C(C(=O)O)NC(=O)C1CC1(C)C)N" . "OC(=O)[C@H](CSCCCC/C=C(/C(=O)O)/NC(=O)[C@H]1CC1(C)C)N" . "DHSUYTOATWAVLW-WFVMDLQDSA-N" . "InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1" . "Fc1ccc(cc1)Nc1cc2C(=O)NC(=O)c2cc1Nc1ccc(cc1)F" . "Fc1ccc(cc1)Nc1cc2C(=O)NC(=O)c2cc1Nc1ccc(cc1)F" . "RONQPWQYDRPRGG-UHFFFAOYSA-N" . "InChI=1S/C20H13F2N3O2/c21-11-1-5-13(6-2-11)23-17-9-15-16(20(27)25-19(15)26)10-18(17)24-14-7-3-12(22)4-8-14/h1-10,23-24H,(H,25,26,27)" . "N#CC(=Cc1ccc(c(c1)O)O)C(=O)OCC=Cc1ccccc1" . "N#C/C(=C/c1ccc(c(c1)O)O)/C(=O)OC/C=C/c1ccccc1" . "XGHYFEJMJXGPGN-UYHGDYIZSA-N" . "InChI=1S/C19H15NO4/c20-13-16(11-15-8-9-17(21)18(22)12-15)19(23)24-10-4-7-14-5-2-1-3-6-14/h1-9,11-12,21-22H,10H2/b7-4+,16-11+" . "CCCCCCCCCCCCCCCNC(=O)C1CCCCC1" . "CCCCCCCCCCCCCCCNC(=O)C1CCCCC1" . "VMFXYTSKMWPHQH-UHFFFAOYSA-N" . "InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23-22(24)21-18-15-14-16-19-21/h21H,2-20H2,1H3,(H,23,24)" . "NNC(C(=O)O)(Cc1ccc(c(c1)O)O)C" . "NN[C@](C(=O)O)(Cc1ccc(c(c1)O)O)C" . "TZFNLOMSOLWIDK-JTQLQIEISA-N" . "InChI=1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)/t10-/m0/s1" . "SCC(C(=O)N1CCCC1C(=O)O)C" . "SC[C@H](C(=O)N1CCC[C@H]1C(=O)O)C" . "FAKRSMQSSFJEIM-RQJHMYQMSA-N" . "InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1" . "OC(=O)C1CCc2c1ccc(c2)OCCn1cncc1" . "OC(=O)C1CCc2c1ccc(c2)OCCn1cncc1" . "IRWWXLHSNMVHNY-UHFFFAOYSA-N" . "InChI=1S/C15H16N2O3/c18-15(19)14-3-1-11-9-12(2-4-13(11)14)20-8-7-17-6-5-16-10-17/h2,4-6,9-10,14H,1,3,7-8H2,(H,18,19)" . "COC1=CC(=O)c2c3c1c1C(=CC(=O)c4c1c(c3c(c(c2O)OC)CC(OC(=O)Oc1ccc(cc1)O)C)c(CC(OC(=O)c1ccccc1)C)c(c4O)OC)OC" . "COC1=CC(=O)c2c3c1c1C(=CC(=O)c4c1c(c3c(c(c2O)OC)C[C@H](OC(=O)Oc1ccc(cc1)O)C)c(C[C@H](OC(=O)c1ccccc1)C)c(c4O)OC)OC" . "LSUTUUOITDQYNO-NHCUHLMSSA-N" . "InChI=1S/C44H38O14/c1-20(56-43(50)22-10-8-7-9-11-22)16-25-31-32-26(17-21(2)57-44(51)58-24-14-12-23(45)13-15-24)42(55-6)40(49)34-28(47)19-30(53-4)36(38(32)34)35-29(52-3)18-27(46)33(37(31)35)39(48)41(25)54-5/h7-15,18-21,45,48-49H,16-17H2,1-6H3/t20-,21-/m1/s1" . "OC(=O)C=Cc1ccc(c(c1)O)O" . "OC(=O)/C=C/c1ccc(c(c1)O)O" . "QAIPRVGONGVQAS-DUXPYHPUSA-N" . "InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+" . "Cc1ccc(cc1S(=O)(=O)N(C)C)[N+](=O)[O-]" . "Cc1ccc(cc1S(=O)(=O)N(C)C)[N+](=O)[O-]" . "IFIUFCJFLGCQPH-UHFFFAOYSA-N" . "InChI=1S/C9H12N2O4S/c1-7-4-5-8(11(12)13)6-9(7)16(14,15)10(2)3/h4-6H,1-3H3" . "C=CC1=C(C)C(=NC1=O)C=c1[nH]c(=Cc2[nH]c(c(c2CCC(=O)O)C)C=C2NC(=O)C(=C2C=C)C)c(c1C)CCC(=O)O" . "C=CC1=C(C)C(=NC1=O)/C=c/1/[nH]/c(=C/c2[nH]c(c(c2CCC(=O)O)C)/C=C/2/NC(=O)C(=C2C=C)C)/c(c1C)CCC(=O)O" . "RCNSAJSGRJSBKK-YKSNQIBWSA-N" . "InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,37,42)(H,38,39)(H,40,41)/b24-13+,27-14-,28-15-" . "OC(C(=O)NC(C(=O)O)CC(C)C)C(Cc1ccccc1)N" . "O[C@H](C(=O)N[C@@H](C(=O)O)CC(C)C)[C@@H](Cc1ccccc1)N" . "VGGGPCQERPFHOB-MCIONIFRSA-N" . "InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13-,14+/m1/s1" . "OCC(C(=O)NNCc1ccc(c(c1O)O)O)N" . "OCC(C(=O)NNCc1ccc(c(c1O)O)O)N" . "BNQDCRGUHNALGH-UHFFFAOYSA-N" . "InChI=1S/C10H15N3O5/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16/h1-2,6,12,14-17H,3-4,11H2,(H,13,18)" . "BrC=C1CCC(C(=O)O1)c1cccc2c1cccc2" . "Br/C=C/1/CCC(C(=O)O1)c1cccc2c1cccc2" . "BYUCSFWXCMTYOI-ZRDIBKRKSA-N" . "InChI=1S/C16H13BrO2/c17-10-12-8-9-15(16(18)19-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,15H,8-9H2/b12-10+" . "OC(=O)C(c1ccc(cc1)OCc1ccc2c(n1)cccc2)C1CCCC1" . "OC(=O)[C@@H](c1ccc(cc1)OCc1ccc2c(n1)cccc2)C1CCCC1" . "ZEYYDOLCHFETHQ-JOCHJYFZSA-N" . "InChI=1S/C23H23NO3/c25-23(26)22(17-6-1-2-7-17)18-10-13-20(14-11-18)27-15-19-12-9-16-5-3-4-8-21(16)24-19/h3-5,8-14,17,22H,1-2,6-7,15H2,(H,25,26)/t22-/m1/s1" . "COc1cc(ccc1OC)Cc1nc(=O)c2n([nH]1)c(nc2C)C(C(O)C)CCCc1ccccc1" . "COc1cc(ccc1OC)Cc1nc(=O)c2n([nH]1)c(nc2C)[C@H]([C@H](O)C)CCCc1ccccc1" . "MYTWFJKBZGMYCS-NQIIRXRSSA-N" . "InChI=1S/C27H32N4O4/c1-17-25-27(33)29-24(16-20-13-14-22(34-3)23(15-20)35-4)30-31(25)26(28-17)21(18(2)32)12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,18,21,32H,8,11-12,16H2,1-4H3,(H,29,30,33)/t18-,21+/m1/s1" . "Fc1ccccc1Cn1nc(c2c1nccc2)c1ncc(c(n1)N)C1CC1" . "Fc1ccccc1Cn1nc(c2c1nccc2)c1ncc(c(n1)N)C1CC1" . "ATOAHNRJAXSBOR-UHFFFAOYSA-N" . "InChI=1S/C20H17FN6/c21-16-6-2-1-4-13(16)11-27-20-14(5-3-9-23-20)17(26-27)19-24-10-15(12-7-8-12)18(22)25-19/h1-6,9-10,12H,7-8,11H2,(H2,22,24,25)" . "CNC(Cc1ccccc1)C" . "CNC(Cc1ccccc1)C" . "MYWUZJCMWCOHBA-UHFFFAOYSA-N" . "InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3" . "CNC(=O)C(NC(=O)C(C(C(=O)NO)CSc1cccs1)CC(C)C)Cc1ccccc1" . "CNC(=O)[C@@H](NC(=O)[C@@H]([C@@H](C(=O)NO)CSc1cccs1)CC(C)C)Cc1ccccc1" . "XFILPEOLDIKJHX-QYZOEREBSA-N" . "InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1" . "Oc1cc2oc(cc(=O)c2c(c1O)O)c1ccccc1" . "Oc1cc2oc(cc(=O)c2c(c1O)O)c1ccccc1" . "FXNFHKRTJBSTCS-UHFFFAOYSA-N" . "InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H" . "C=CCNC(=O)c1cc(cc2c1[nH]c(Nc1ccc(c(c1)Cl)Cl)nc2=O)[N+](=O)[O-]" . "C=CCNC(=O)c1cc(cc2c1[nH]c(Nc1ccc(c(c1)Cl)Cl)nc2=O)[N+](=O)[O-]" . "VUBILPOZTRGZJK-UHFFFAOYSA-N" . "InChI=1S/C18H13Cl2N5O4/c1-2-5-21-16(26)11-7-10(25(28)29)8-12-15(11)23-18(24-17(12)27)22-9-3-4-13(19)14(20)6-9/h2-4,6-8H,1,5H2,(H,21,26)(H2,22,23,24,27)" . "CCCCCC=CCC=CCC=CCC=CCCCC(=O)C(F)(F)F" . "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)C(F)(F)F" . "PLWROONZUDKYKG-DOFZRALJSA-N" . "InChI=1S/C21H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(25)21(22,23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3/b7-6-,10-9-,13-12-,16-15-" . "Clc1ccc(c(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)NS(=O)(=O)c1ccc(s1)Cl" . "Clc1ccc(c(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)NS(=O)(=O)c1ccc(s1)Cl" . "PQHLRGARXNPFCF-UHFFFAOYSA-N" . "InChI=1S/C21H19Cl2N3O6S3/c22-14-1-6-18(25-34(28,29)20-8-7-19(23)33-20)17(13-14)21(27)24-15-2-4-16(5-3-15)35(30,31)26-9-11-32-12-10-26/h1-8,13,25H,9-12H2,(H,24,27)" . "ONC(=O)CN(S(=O)(=O)c1ccc(cc1)c1ccccc1)OC(C)C" . "ONC(=O)CN(S(=O)(=O)c1ccc(cc1)c1ccccc1)OC(C)C" . "PHGLPDURIUEELR-UHFFFAOYSA-N" . "InChI=1S/C17H20N2O5S/c1-13(2)24-19(12-17(20)18-21)25(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,21H,12H2,1-2H3,(H,18,20)" . "NCCCON" . "NCCCON" . "VSZFWDPIWSPZON-UHFFFAOYSA-N" . "InChI=1S/C3H10N2O/c4-2-1-3-6-5/h1-5H2" . "CCC(C(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)Cc1c[nH]cn1)Cc1ccccc1)Cc1c[nH]cn1)NC(=O)C(Cc1ccc(cc1)O)NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(CC(=O)O)N)CCCN=C(N)N)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O" . "LJXGOQOPNPFXFT-JWRYNVNRSA-N" . "InChI=1S/C56H78N16O13/c1-5-31(4)46(71-50(79)40(22-33-15-17-36(73)18-16-33)67-52(81)45(30(2)3)70-48(77)38(13-9-19-62-56(58)59)65-47(76)37(57)25-44(74)75)53(82)68-41(23-34-26-60-28-63-34)54(83)72-20-10-14-43(72)51(80)66-39(21-32-11-7-6-8-12-32)49(78)69-42(55(84)85)24-35-27-61-29-64-35/h6-8,11-12,15-18,26-31,37-43,45-46,73H,5,9-10,13-14,19-25,57H2,1-4H3,(H,60,63)(H,61,64)(H,65,76)(H,66,80)(H,67,81)(H,68,82)(H,69,78)(H,70,77)(H,71,79)(H,74,75)(H,84,85)(H4,58,59,62)/t31-,37-,38-,39-,40-,41-,42-,43-,45-,46-/m0/s1" . "N#CC(c1cc(cc(c1)C(C#N)(C)C)Cn1ncnc1)(C)C" . "N#CC(c1cc(cc(c1)C(C#N)(C)C)Cn1ncnc1)(C)C" . "YBBLVLTVTVSKRW-UHFFFAOYSA-N" . "InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3" . "ONCC[S+](CC1OC(C(C1O)O)n1cnc2c1ncnc2N)C" . "ONCC[S+](C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)C" . "VJHFTTWXKUEKQP-VCZNENMGSA-N" . "InChI=1S/C13H21N6O4S/c1-24(3-2-18-22)4-7-9(20)10(21)13(23-7)19-6-17-8-11(14)15-5-16-12(8)19/h5-7,9-10,13,18,20-22H,2-4H2,1H3,(H2,14,15,16)/q+1/t7-,9-,10-,13-,24?/m1/s1" . "OCC1OC(C(C1O)O)n1cnc(c1N)C(=O)N" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(c1N)C(=O)N" . "RTRQQBHATOEIAF-UUOKFMHZSA-N" . "InChI=1S/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17)/t3-,5-,6-,9-/m1/s1" . "Brc1cccc(c1)c1cc(nc2c1c(N)ncn2)c1ccc(nc1)N1CCOCC1" . "Brc1cccc(c1)c1cc(nc2c1c(N)ncn2)c1ccc(nc1)N1CCOCC1" . "RQCXKDWOCUJWQZ-UHFFFAOYSA-N" . "InChI=1S/C22H19BrN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)" . "NC1CC(C(C1O)O)n1cc(c2c1ncnc2N)I" . "N[C@H]1C[C@H]([C@@H]([C@@H]1O)O)n1cc(c2c1ncnc2N)I" . "NSXJHIFQIZKLGF-LWIVVEGESA-N" . "InChI=1S/C11H14IN5O2/c12-4-2-17(6-1-5(13)8(18)9(6)19)11-7(4)10(14)15-3-16-11/h2-3,5-6,8-9,18-19H,1,13H2,(H2,14,15,16)/t5-,6+,8+,9-/m0/s1" . "CCCCCC(C=CC1C(O)CC(C1CC=CCCCC(=O)O)O)O" . "CCCCCC(/C=C/[C@H]1[C@@H](O)CC(C1C/C=C/CCCC(=O)O)O)O" . "PXGPLTODNUVGFL-CXMQRTRKSA-N" . "InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15?,16?,17-,18?,19+/m1/s1" . "[O-][N+](=O)c1cccc2c1[nH]nc2" . "[O-][N+](=O)c1cccc2c1[nH]nc2" . "PQCAUHUKTBHUSA-UHFFFAOYSA-N" . "InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)" . "OC1C(O)C(OC1n1ccc(=O)[nH]c1=O)COP(=O)(O)O" . "O[C@@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)COP(=O)(O)O" . "DJJCXFVJDGTHFX-XVFCMESISA-N" . "InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1" . "OC1C(O)C(OC1n1cnc2c1[nH]cnc2=O)COP(=O)(O)O" . "O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1[nH]cnc2=O)COP(=O)(O)O" . "GRSZFWQUAKGDAV-KQYNXXCUSA-N" . "InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1" . "OC1C(O)C(OC1n1cnc2c1[nH]c(N)nc2=O)COP(=O)(O)O" . "O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1[nH]c(N)nc2=O)COP(=O)(O)O" . "RQFCJASXJCIDSX-UUOKFMHZSA-N" . "InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1" . "OC1CC(OC1COP(=O)(O)O)n1cnc2c1[nH]c(N)nc2=O" . "O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1cnc2c1[nH]c(N)nc2=O" . "LTFMZDNNPPEQNG-KVQBGUIXSA-N" . "InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1" . "[NH3+]CCC[S+](CC1OC(C(C1O)O)n1cnc2c1ncnc2N)C" . "[NH3+]CCC[S+](C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)C" . "ZUNBITIXDCPNSD-LSRJEVITSA-O" . "InChI=1S/C14H23N6O3S/c1-24(4-2-3-15)5-8-10(21)11(22)14(23-8)20-7-19-9-12(16)17-6-18-13(9)20/h6-8,10-11,14,21-22H,2-5,15H2,1H3,(H2,16,17,18)/q+1/p+1/t8-,10-,11-,14-,24?/m1/s1" . "OC1CC(OC1COP(=O)(O)O)n1cnc2c1ncnc2N" . "O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1cnc2c1ncnc2N" . "KHWCHTKSEGGWEX-RRKCRQDMSA-N" . "InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1" . "OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(C(C1O)O)O" . "O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]([C@H]([C@H]1O)O)O" . "MCKAJXMRULSUKI-UZAAGFTCSA-N" . "InChI=1S/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2+,3-,4-,5+,6+/m0/s1" . "OC(=O)C(=O)CS" . "OC(=O)C(=O)CS" . "OJOLFAIGOXZBCI-UHFFFAOYSA-N" . "InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6)" . "OC(=O)C(Cc1ccc(c(c1)I)O)N" . "OC(=O)C(Cc1ccc(c(c1)I)O)N" . "UQTZMGFTRHFAAM-UHFFFAOYSA-N" . "InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)" . "NNCc1cccc(c1)O" . "NNCc1cccc(c1)O" . "OFKWWALNMPEOSZ-UHFFFAOYSA-N" . "InChI=1S/C7H10N2O/c8-9-5-6-2-1-3-7(10)4-6/h1-4,9-10H,5,8H2" . "OCC1OC(C(C1O)O)n1cnc2c1ccnc2N" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ccnc2N" . "DBZQFUNLCALWDY-PNHWDRBUSA-N" . "InChI=1S/C11H14N4O4/c12-10-7-5(1-2-13-10)15(4-14-7)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1" . "OC(=O)C(Cc1ccc(c(c1)Cl)O)N" . "OC(=O)C(Cc1ccc(c(c1)Cl)O)N" . "ACWBBAGYTKWBCD-UHFFFAOYSA-N" . "InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)" . "[O-][N+](=O)c1cccc2c1n[nH]c2Br" . "[O-][N+](=O)c1cccc2c1n[nH]c2Br" . "NFSTZPMYAZRZPC-UHFFFAOYSA-N" . "InChI=1S/C7H4BrN3O2/c8-7-4-2-1-3-5(11(12)13)6(4)9-10-7/h1-3H,(H,9,10)" . "OCC(C(C(C(C(=O)[O-])O)O)O)O" . "OCC(C(C(C(C(=O)[O-])O)O)O)O" . "RGHNJXZEOKUKBD-UHFFFAOYSA-M" . "InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/p-1" . "CCCCCCCCC=CCCCCCCCC(=O)OC(CO)CO" . "CCCCCCCC/C=C/CCCCCCCC(=O)OC(CO)CO" . "UPWGQKDVAURUGE-KTKRTIGZSA-N" . "InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-" . "Cc1ccnc(c1)N" . "Cc1ccnc(c1)N" . "ORLGLBZRQYOWNA-UHFFFAOYSA-N" . "InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)" . "OCC1OC(CC1O)n1cnc2c1[nH]cnc2=O" . "OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1[nH]cnc2=O" . "VGONTNSXDCQUGY-RRKCRQDMSA-N" . "InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1" . "OCC1OC(CC1O)n1cnc2c1ncnc2N" . "OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2N" . "OLXZPDWKRNYJJZ-RRKCRQDMSA-N" . "InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1" . "OC1CC(OC1C)n1cnc2c1ncnc2N" . "O[C@H]1C[C@@H](O[C@@H]1C)n1cnc2c1ncnc2N" . "FFHPXOJTVQDVMO-DSYKOEDSSA-N" . "InChI=1S/C10H13N5O2/c1-5-6(16)2-7(17-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7,16H,2H2,1H3,(H2,11,12,13)/t5-,6+,7-/m1/s1" . "OB(CCCCC(C(=O)O)N)O" . "OB(CCCC[C@@H](C(=O)O)N)O" . "HFKKMXCOJQIYAH-YFKPBYRVSA-N" . "InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)/t5-/m0/s1" . "CCC(C=CC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O)O" . "CC[C@@H](/C=C/C=C/C[C@H](/C=C/C=C/C=C/[C@H](CCCC(=O)O)O)O)O" . "AOPOCGPBAIARAV-JJVMZPRHSA-N" . "InChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8+,12-6+,13-7-/t17-,18-,19+/m0/s1" . "CNCC(=O)O" . "CNCC(=O)O" . "FSYKKLYZXJSNPZ-UHFFFAOYSA-N" . "InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)" . "[O-]C(=O)C(CC(C(=O)[O-])N)C" . "[O-]C(=O)[C@@H](C[C@@H](C(=O)[O-])N)C" . "KRKRAOXTGDJWNI-DMTCNVIQSA-L" . "InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/p-2/t3-,4+/m1/s1" . "CCC(C=CC=CCC=CCC=CCC=CCCCC(=O)O)O" . "CC[C@@H](/C=C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O)O" . "LRWYBGFSVUBWMO-OKIFYYRFSA-N" . "InChI=1S/C20H30O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,15,17,19,21H,2-3,8-9,14,16,18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-,17-15+/t19-/m0/s1" . "O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2(O)C(=O)C)C)C" . "O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C" . "DBPWSSGDRRHUNT-CEGNMAFCSA-N" . "InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1" . "OC1CCC2(C(=CCC3C2CCC2(C3CCC2(O)C(=O)C)C)C1)C" . "O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@]2(O)C(=O)C)C)C1)C" . "JERGUCIJOXJXHF-TVWVXWENSA-N" . "InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1" . "NCc1cccc(c1)CN=C(N)C" . "NCc1cccc(c1)C/N=C(/N)/C" . "RODUKNYOEVZQPR-UHFFFAOYSA-N" . "InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)" . "CCCCCC=CCC(C=CC=CCC=CCCCC(=O)O)OO" . "CCCCC/C=C/C[C@H](/C=C/C=C/C/C=C/CCCC(=O)O)OO" . "ZIOZYRSDNLNNNJ-ZYBDYUKJSA-N" . "InChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/b9-7-,11-8-,13-10-,17-14+/t19-/m1/s1" . "OCC(=O)C1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C" . "OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C" . "WHBHBVVOGNECLV-OBQKJFGGSA-N" . "InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1" . "OC1C(OP(=O)(O)O)C(O)C(C(C1OP(=O)(O)O)O)O" . "OC1[C@H](OP(=O)(O)O)[C@@H](O)C([C@H]([C@@H]1OP(=O)(O)O)O)O" . "PUVHMWJJTITUGO-WJPCITMWSA-N" . "InChI=1S/C6H14O12P2/c7-1-2(8)5(17-19(11,12)13)4(10)6(3(1)9)18-20(14,15)16/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1?,2-,3+,4?,5+,6-" . "OC1C(OP(=O)([O-])[O-])C(O)C(C(C1O)OP(=O)([O-])[O-])O" . "O[C@@H]1C(OP(=O)([O-])[O-])[C@H](O)[C@H](C([C@@H]1O)OP(=O)([O-])[O-])O" . "PELZSPZCXGTUMR-MBEOBJKWSA-J" . "InChI=1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/p-4/t1-,2-,3-,4+,5?,6?/m1/s1" . "Cc1cc(C)c(c(c1)C)S(=O)(=O)Nc1cccc(c1)C(F)(F)F" . "Cc1cc(C)c(c(c1)C)S(=O)(=O)Nc1cccc(c1)C(F)(F)F" . "ZIIUUSVHCHPIQD-UHFFFAOYSA-N" . "InChI=1S/C16H16F3NO2S/c1-10-7-11(2)15(12(3)8-10)23(21,22)20-14-6-4-5-13(9-14)16(17,18)19/h4-9,20H,1-3H3" . "OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2N" . "O[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2N" . "IVOMOUWHDPKRLL-KQYNXXCUSA-N" . "InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1" . "CCCC(c1ccc(c(c1)O)O)C(=O)N" . "CCCC(c1ccc(c(c1)O)O)C(=O)N" . "GDXQWRJYXZXWMT-UHFFFAOYSA-N" . "InChI=1S/C11H15NO3/c1-2-3-8(11(12)15)7-4-5-9(13)10(14)6-7/h4-6,8,13-14H,2-3H2,1H3,(H2,12,15)" . "Oc1ccc(cc1)CC(C(=O)O)(N)C" . "Oc1ccc(cc1)CC(C(=O)O)(N)C" . "NHTGHBARYWONDQ-UHFFFAOYSA-N" . "InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)" . "OC1C(COP(=O)(CP(=O)(O)O)O)OC(C1O)n1cnc2c1ncnc2N" . "O[C@@H]1[C@@H](COP(=O)(CP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N" . "OLCWZBFDIYXLAA-IOSLPCCCSA-N" . "InChI=1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1" . "ON=C(NCCC(C(=O)O)N)N" . "O/N=C(/NCC[C@@H](C(=O)O)N)/N" . "KOBHCUDVWOTEKO-VKHMYHEASA-N" . "InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1" . "COc1cc2c(cc1OC)CC(n1c2cc2c1nc1c(n2)cccc1)(C)C" . "COc1cc2c(cc1OC)CC(n1c2cc2c1nc1c(n2)cccc1)(C)C" . "HIXSPVQXXDULHS-UHFFFAOYSA-N" . "InChI=1S/C22H21N3O2/c1-22(2)12-13-9-19(26-3)20(27-4)10-14(13)18-11-17-21(25(18)22)24-16-8-6-5-7-15(16)23-17/h5-11H,12H2,1-4H3" . "CN1CCN(CC1)C(=O)c1c(C)[nH]c(c1C)C=C1C(=O)Nc2c1cc(cc2)S(=O)(=O)N(c1cccc(c1)Cl)C" . "CN1CCN(CC1)C(=O)c1c(C)[nH]c(c1C)/C=C/1/C(=O)Nc2c1cc(cc2)S(=O)(=O)N(c1cccc(c1)Cl)C" . "FPYJSJDOHRDAMT-KQWNVCNZSA-N" . "InChI=1S/C28H30ClN5O4S/c1-17-25(30-18(2)26(17)28(36)34-12-10-32(3)11-13-34)16-23-22-15-21(8-9-24(22)31-27(23)35)39(37,38)33(4)20-7-5-6-19(29)14-20/h5-9,14-16,30H,10-13H2,1-4H3,(H,31,35)/b23-16-" . "O=C1Nc2c(C1=Cc1[nH]c(cc1C)C)cccc2" . "O=C1Nc2c(/C/1=C/c1[nH]c(cc1C)C)cccc2" . "WUWDLXZGHZSWQZ-WQLSENKSSA-N" . "InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-" . "COC1OC(CO)C(C(C1O)O)O" . "CO[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O" . "HOVAGTYPODGVJG-ZFYZTMLRSA-N" . "InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7+/m1/s1" . "NC1CCN(CC1)c1cccc(n1)Cl" . "NC1CCN(CC1)c1cccc(n1)Cl" . "WPVVMKYQOMJPIN-UHFFFAOYSA-N" . "InChI=1S/C10H14ClN3/c11-9-2-1-3-10(13-9)14-6-4-8(12)5-7-14/h1-3,8H,4-7,12H2" . "NN=CN1CCCC(C1)CC(=O)NC(C(=O)OC)Cc1ccc(cc1)C#Cc1ccccc1" . "NN=CN1CCC[C@@H](C1)CC(=O)N[C@H](C(=O)OC)Cc1ccc(cc1)C#Cc1ccccc1" . "YQDXLNDLKSCQKX-RPWUZVMVSA-N" . "InChI=1S/C26H30N4O3/c1-33-26(32)24(29-25(31)17-23-8-5-15-30(18-23)19-28-27)16-22-13-11-21(12-14-22)10-9-20-6-3-2-4-7-20/h2-4,6-7,11-14,19,23-24H,5,8,15-18,27H2,1H3,(H,29,31)/t23-,24+/m1/s1" . "CCOCc1nc2c(n1CC(O)(C)C)c1ccccc1nc2N" . "CCOCc1nc2c(n1CC(O)(C)C)c1ccccc1nc2N" . "BXNMTOQRYBFHNZ-UHFFFAOYSA-N" . "InChI=1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19)" . "COc1ccc(cc1NC(=O)Nc1cc(C)nc2c1cccc2)Cl" . "COc1ccc(cc1NC(=O)Nc1cc(C)nc2c1cccc2)Cl" . "YBLWOZUPHDKFOT-UHFFFAOYSA-N" . "InChI=1S/C18H16ClN3O2/c1-11-9-15(13-5-3-4-6-14(13)20-11)21-18(23)22-16-10-12(19)7-8-17(16)24-2/h3-10H,1-2H3,(H2,20,21,22,23)" . "OC1C(O)C(OC1n1cnc2c1[nH]cnc2=O)COP(=O)(O)O.Nc1ccn(c(=O)n1)C1OC(C(C1O)O)COP(=O)(O)O" . "OC1C(O)C(OC1n1cnc2c1[nH]cnc2=O)COP(=O)(O)O.Nc1ccn(c(=O)n1)C1OC(C(C1O)O)COP(=O)(O)O" . "ACEVNMQDUCOKHT-UHFFFAOYSA-N" . "InChI=1S/C10H13N4O8P.C9H14N3O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)" . "CCN(CCCCNc1ncc2c(n1)nc(c(c2)c1cc(OC)cc(c1)OC)NC(=O)NC(C)(C)C)CC" . "CCN(CCCCNc1ncc2c(n1)nc(c(c2)c1cc(OC)cc(c1)OC)NC(=O)NC(C)(C)C)CC" . "DXCUKNQANPLTEJ-UHFFFAOYSA-N" . "InChI=1S/C28H41N7O3/c1-8-35(9-2)13-11-10-12-29-26-30-18-20-16-23(19-14-21(37-6)17-22(15-19)38-7)25(31-24(20)32-26)33-27(36)34-28(3,4)5/h14-18H,8-13H2,1-7H3,(H3,29,30,31,32,33,34,36)" . "OCC1OC(O)C(C(C1O)OC(C(=O)NC(C(=O)NC(C(=O)N)CCC(=O)O)C)C)NC(=O)C" . "OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@@H]1O)O[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N)CCC(=O)O)C)C)NC(=O)C" . "BSOQXXWZTUDTEL-ZUYCGGNHSA-N" . "InChI=1S/C19H32N4O11/c1-7(17(30)23-10(16(20)29)4-5-12(26)27)21-18(31)8(2)33-15-13(22-9(3)25)19(32)34-11(6-24)14(15)28/h7-8,10-11,13-15,19,24,28,32H,4-6H2,1-3H3,(H2,20,29)(H,21,31)(H,22,25)(H,23,30)(H,26,27)/t7-,8+,10+,11+,13+,14+,15+,19+/m0/s1" . "NC(C(=O)O)CCCC(C(=O)O)N" . "N[C@H](C(=O)O)CCC[C@H](C(=O)O)N" . "GMKMEZVLHJARHF-SYDPRGILSA-N" . "InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5+" . "CCC(C(N1CCC(C1=O)NC(=O)Cc1ccc(cc1)NC(=O)c1cnc2c(n1)cccc2)C(=O)NC(C(=O)NC(C(=O)NC(C(CC)C)C(=O)N)CCCNC(=N)N)CC(=O)O)C" . "CC[C@@H]([C@H](N1CC[C@H](C1=O)NC(=O)Cc1ccc(cc1)NC(=O)c1cnc2c(n1)cccc2)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)N)CCCNC(=N)N)CC(=O)O)C" . "VINFYKMOVBYUSF-ZCWPROOASA-N" . "InChI=1S/C43H58N12O9/c1-5-23(3)35(37(44)59)54-38(60)29(12-9-18-47-43(45)46)52-39(61)31(21-34(57)58)53-41(63)36(24(4)6-2)55-19-17-30(42(55)64)51-33(56)20-25-13-15-26(16-14-25)49-40(62)32-22-48-27-10-7-8-11-28(27)50-32/h7-8,10-11,13-16,22-24,29-31,35-36H,5-6,9,12,17-21H2,1-4H3,(H2,44,59)(H,49,62)(H,51,56)(H,52,61)(H,53,63)(H,54,60)(H,57,58)(H4,45,46,47)/t23-,24-,29+,30+,31-,35-,36-/m0/s1" . "C=CCn1c(=O)n(c2c1c(=O)nc([nH]2)N)C1OC(C(C1O)O)CO" . "C=CCn1c(=O)n(c2c1c(=O)nc([nH]2)N)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO" . "VDCRFBBZFHHYGT-IOSLPCCCSA-N" . "InChI=1S/C13H17N5O6/c1-2-3-17-6-9(15-12(14)16-10(6)22)18(13(17)23)11-8(21)7(20)5(4-19)24-11/h2,5,7-8,11,19-21H,1,3-4H2,(H3,14,15,16,22)/t5-,7-,8-,11-/m1/s1" . "OC(=O)CC[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C)NC(=O)[C@H]4N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)O)CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC3=O)[C@H](O)C)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CSSC[C@@H](C(=O)N2)N)CC(=O)N)CCC4" . "C[C@H]1C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)C(=O)N[C@@H](CSSC[C@@H](C(=O)N3)N)C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N1)CC(=O)N)Cc1ccc(cc1)O)CCC(=O)O" . "KXGCNMMJRFDFNR-WDRJZQOASA-N" . "InChI=1S/C59H79N15O21S6/c1-26-47(82)69-41-25-101-99-22-38-52(87)65-33(13-14-45(80)81)49(84)66-34(16-28-5-9-30(76)10-6-28)50(85)71-40(54(89)72-39(23-97-96-20-32(60)48(83)70-38)53(88)67-35(18-43(61)78)58(93)74-15-3-4-42(74)56(91)63-26)24-100-98-21-37(64-44(79)19-62-57(92)46(27(2)75)73-55(41)90)51(86)68-36(59(94)95)17-29-7-11-31(77)12-8-29/h5-12,26-27,32-42,46,75-77H,3-4,13-25,60H2,1-2H3,(H2,61,78)(H,62,92)(H,63,91)(H,64,79)(H,65,87)(H,66,84)(H,67,88)(H,68,86)(H,69,82)(H,70,83)(H,71,85)(H,72,89)(H,73,90)(H,80,81)(H,94,95)/t26-,27+,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1" . "CC(Cn1cnc2c1c1ccccc1nc2N)C" . "CC(Cn1cnc2c1c1ccccc1nc2N)C" . "DOUYETYNHWVLEO-UHFFFAOYSA-N" . "InChI=1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17)" . "CC(C(C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O)N)C" . "CC([C@@H](C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O)N)C" . "HDOVUKNUBWVHOX-QMMMGPOBSA-N" . "InChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1" . "OCC1OC(OC2C(OC(C(C2O)O)OC2C(NC(=O)C)C(O)OC(C2O)CO)C(=O)O)C(C(C1O)OC1OC(C(=O)O)C(C(C1O)O)O)NC(=O)C.[Na+]" . "OC[C@H]1O[C@@H](O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]2[C@@H](NC(=O)C)[C@H](O)O[C@@H]([C@H]2O)CO)C(=O)O)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)NC(=O)C.[Na+]" . "YWIVKILSMZOHHF-QJZPQSOGSA-N" . "InChI=1S/C28H44N2O23.Na/c1-5(33)29-9-18(11(35)7(3-31)47-25(9)46)49-28-17(41)15(39)20(22(53-28)24(44)45)51-26-10(30-6(2)34)19(12(36)8(4-32)48-26)50-27-16(40)13(37)14(38)21(52-27)23(42)43;/h7-22,25-28,31-32,35-41,46H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45);/q;+1/t7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19-,20+,21+,22+,25-,26+,27-,28-;/m1./s1" . "Fc1cccc(c1)COc1ccc(cc1Cl)Nc1ncnc2c1cc(cc2)c1csc(n1)CNCCS(=O)(=O)C.Cl.Cl" . "Fc1cccc(c1)COc1ccc(cc1Cl)Nc1ncnc2c1cc(cc2)c1csc(n1)CNCCS(=O)(=O)C.Cl.Cl" . "WIMITXDBYLKRKB-UHFFFAOYSA-N" . "InChI=1S/C28H25ClFN5O3S2.2ClH/c1-40(36,37)10-9-31-14-27-35-25(16-39-27)19-5-7-24-22(12-19)28(33-17-32-24)34-21-6-8-26(23(29)13-21)38-15-18-3-2-4-20(30)11-18;;/h2-8,11-13,16-17,31H,9-10,14-15H2,1H3,(H,32,33,34);2*1H" . "O=C1Nc2c(C1=Cc1cn(c3c1cccc3)C)nccc2.Cl" . "O=C1Nc2c(/C/1=C/c1cn(c3c1cccc3)C)nccc2.Cl" . "GXUJPQDCLCDKLU-CHHCPSLASA-N" . "InChI=1S/C17H13N3O.ClH/c1-20-10-11(12-5-2-3-7-15(12)20)9-13-16-14(19-17(13)21)6-4-8-18-16;/h2-10H,1H3,(H,19,21);1H/b13-9-;" . "COc1cc2ncnc(c2cc1OCCCN1CCOCC1)Nc1ccc(c(c1)Cl)F" . "COc1cc2ncnc(c2cc1OCCCN1CCOCC1)Nc1ccc(c(c1)Cl)F" . "XGALLCVXEZPNRQ-UHFFFAOYSA-N" . "InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)" . "COCCOc1cc2c(ncnc2cc1OCCOC)Nc1cccc(c1)C#C" . "COCCOc1cc2c(ncnc2cc1OCCOC)Nc1cccc(c1)C#C" . "AAKJLRGGTJKAMG-UHFFFAOYSA-N" . "InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)" . "CCCCCCCCCCOC1C(O)C(COC2OC(COC)C(C(C2NC(=O)CCCCCCCCCC=CCCCCCC)OCCC(CCCCCCC)OC)OP(=O)(O)O)OC(C1NC(=O)CC(=O)CCCCCCCCCCC)OP(=O)(O)O" . "CCCCCCCCCCO[C@H]1[C@H](O)[C@@H](CO[C@@H]2O[C@H](COC)[C@H]([C@@H]([C@H]2NC(=O)CCCCCCCCC/C=C/CCCCCC)OCC[C@@H](CCCCCCC)OC)OP(=O)(O)O)O[C@@H]([C@@H]1NC(=O)CC(=O)CCCCCCCCCCC)OP(=O)(O)O" . "BPSMYQFMCXXNPC-MFCPCZTFSA-N" . "InChI=1S/C66H126N2O19P2/c1-7-11-15-19-22-25-26-27-28-29-30-32-34-38-42-46-57(70)67-60-64(82-49-47-54(80-6)45-41-36-18-14-10-4)62(86-88(73,74)75)56(51-79-5)85-65(60)83-52-55-61(72)63(81-48-43-39-35-24-21-17-13-9-3)59(66(84-55)87-89(76,77)78)68-58(71)50-53(69)44-40-37-33-31-23-20-16-12-8-2/h25-26,54-56,59-66,72H,7-24,27-52H2,1-6H3,(H,67,70)(H,68,71)(H2,73,74,75)(H2,76,77,78)/b26-25-/t54-,55-,56-,59-,60-,61-,62-,63-,64-,65-,66-/m1/s1" . "C1CCN(CC1)CCOc1ccc(cc1)c1cnc2n(c1)ncc2c1ccncc1" . "C1CCN(CC1)CCOc1ccc(cc1)c1cnc2n(c1)ncc2c1ccncc1" . "XHBVYDAKJHETMP-UHFFFAOYSA-N" . "InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2" . "Nc1ncc(cc1OC(c1c(Cl)ccc(c1Cl)F)C)c1cnn(c1)C1CCNCC1" . "Nc1ncc(cc1O[C@@H](c1c(Cl)ccc(c1Cl)F)C)c1cnn(c1)C1CCNCC1" . "KTEIFNKAUNYNJU-GFCCVEGCSA-N" . "InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1" . "ClC(C(=O)[O-])Cl" . "ClC(C(=O)[O-])Cl" . "JXTHNDFMNIQAHM-UHFFFAOYSA-M" . "InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)/p-1" . "CCC(C(C(=O)NC(C(=O)NC(C(=O)NCC(CC)C)CCCNC(=N)N)CC(=O)O)NC(=O)C(NC(=O)Cc1ccc(cc1)NC(=O)c1ccc2c(c1)cccc2)CCCNC(=N)C)C" . "CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC[C@H](CC)C)CCCNC(=N)N)CC(=O)O)NC(=O)[C@@H](NC(=O)Cc1ccc(cc1)NC(=O)c1ccc2c(c1)cccc2)CCCNC(=N)C)C" . "SSSOLDGLOKWDSV-VLDRZRDYSA-N" . "InChI=1S/C47H67N11O8/c1-6-28(3)27-53-43(63)36(14-11-23-52-47(49)50)56-45(65)38(26-40(60)61)57-46(66)41(29(4)7-2)58-44(64)37(15-10-22-51-30(5)48)55-39(59)24-31-16-20-35(21-17-31)54-42(62)34-19-18-32-12-8-9-13-33(32)25-34/h8-9,12-13,16-21,25,28-29,36-38,41H,6-7,10-11,14-15,22-24,26-27H2,1-5H3,(H2,48,51)(H,53,63)(H,54,62)(H,55,59)(H,56,65)(H,57,66)(H,58,64)(H,60,61)(H4,49,50,52)/t28-,29-,36-,37-,38-,41-/m0/s1" . "N#CC(=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C(=S)N" . "N#C/C(=C/c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)/C(=S)N" . "XRZYELWZLNAXGE-KPKJPENVSA-N" . "InChI=1S/C18H24N2OS/c1-17(2,3)13-8-11(7-12(10-19)16(20)22)9-14(15(13)21)18(4,5)6/h7-9,21H,1-6H3,(H2,20,22)/b12-7+" . "COc1cc2c(ncnc2cc1OC)Nc1cccc(c1)Cl" . "COc1cc2c(ncnc2cc1OC)Nc1cccc(c1)Cl" . "GFNNBHLJANVSQV-UHFFFAOYSA-N" . "InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)" . "ON=C1C(=C2C(=O)Nc3c2cc(F)cc3)Nc2c1cccc2" . "O/N=C/1/C(=C/2/C(=O)Nc3c2cc(F)cc3)/Nc2c1cccc2" . "RJIBTAMXAXHIAN-IOJOKMQUSA-N" . "InChI=1S/C16H10FN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,18,22H,(H,19,21)/b15-13+,20-14+" . "OCC1OC(C(C1O)O)n1cnc2c1ncnc2N" . "OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1cnc2c1ncnc2N" . "OIRDTQYFTABQOQ-UHTZMRCNSA-N" . "InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1" . "CC1(C)c2c3ccccc3ccc2[N+](=C1C=CC=CC=CC=C1N(CCCCS(=O)(=O)[O-])c2c(C1(C)C)c1ccccc1cc2)CCCCS(=O)(=O)[O-].[Na+]" . "CC1(C)c2c3ccccc3ccc2[N+](=C1C=CC=CC=CC=C1N(CCCCS(=O)(=O)[O-])c2c(C1(C)C)c1ccccc1cc2)CCCCS(=O)(=O)[O-].[Na+]" . "MOFVSTNWEDAEEK-UHFFFAOYSA-M" . "InChI=1S/C43H48N2O6S2.Na/c1-42(2)38(44(28-14-16-30-52(46,47)48)36-26-24-32-18-10-12-20-34(32)40(36)42)22-8-6-5-7-9-23-39-43(3,4)41-35-21-13-11-19-33(35)25-27-37(41)45(39)29-15-17-31-53(49,50)51;/h5-13,18-27H,14-17,28-31H2,1-4H3,(H-,46,47,48,49,50,51);/q;+1/p-1" . "OCCN1CC(O)C(C(C1CO)O)O" . "OCCN1C[C@H](O)[C@H]([C@@H]([C@H]1CO)O)O" . "IBAQFPQHRJAVAV-ULAWRXDQSA-N" . "InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1" . "CCCCN1CC(O)C(C(C1CO)O)O" . "CCCCN1C[C@H](O)[C@H]([C@@H]([C@H]1CO)O)O" . "UQRORFVVSGFNRO-UTINFBMNSA-N" . "InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1" . "OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O" . "OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O" . "NCEXYHBECQHGNR-UHFFFAOYSA-N" . "InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)" . "OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N" . "OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N" . "ZZUFCTLCJUWOSV-UHFFFAOYSA-N" . "InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)" . "CC1Nc2cc(Cl)c(cc2C(=O)N1c1ccccc1C)S(=O)(=O)N" . "CC1Nc2cc(Cl)c(cc2C(=O)N1c1ccccc1C)S(=O)(=O)N" . "AQCHWTWZEMGIFD-UHFFFAOYSA-N" . "InChI=1S/C16H16ClN3O3S/c1-9-5-3-4-6-14(9)20-10(2)19-13-8-12(17)15(24(18,22)23)7-11(13)16(20)21/h3-8,10,19H,1-2H3,(H2,18,22,23)" . "CCCCNc1cc(cc(c1Oc1ccccc1)S(=O)(=O)N)C(=O)O" . "CCCCNc1cc(cc(c1Oc1ccccc1)S(=O)(=O)N)C(=O)O" . "MAEIEVLCKWDQJH-UHFFFAOYSA-N" . "InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)" . "Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N" . "Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N" . "JZUFKLXOESDKRF-UHFFFAOYSA-N" . "InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)" . "Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N" . "Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N" . "JBMKAUGHUNFTOL-UHFFFAOYSA-N" . "InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)" . "COc1cc2c(cc1OC)CCN1C2CC(=O)C(C1)CC(C)C" . "COc1cc2c(cc1OC)CCN1C2CC(=O)C(C1)CC(C)C" . "MKJIEFSOBYUXJB-UHFFFAOYSA-N" . "InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3" . "OCC1CCC(O1)n1cnc2c1[nH]cnc2=O" . "OC[C@@H]1CC[C@@H](O1)n1cnc2c1[nH]cnc2=O" . "BXZVVICBKDXVGW-NKWVEPMBSA-N" . "InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1" . "NC(c1ccccc1)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C" . "N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C" . "ZAIPMKNFIOOWCQ-UEKVPHQBSA-N" . "InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1" . "O=C(C(c1ccc(cc1)O)N)NC1C(=O)N2C1SCC(=C2C(=O)O)C" . "O=C([C@@H](c1ccc(cc1)O)N)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C" . "BOEGTKLJZSQCCD-UEKVPHQBSA-N" . "InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1" . "O=C(C(C1=CCC=CC1)N)NC1C(=O)N2C1SCC(=C2C(=O)O)C" . "O=C([C@@H](C1=CCC=CC1)N)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C" . "RDLPVSKMFDYCOR-UEKVPHQBSA-N" . "InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1" . "OCCOCn1cnc2c1nc(N)[nH]c2=O" . "OCCOCn1cnc2c1nc(N)[nH]c2=O" . "MKUXAQIIEYXACX-UHFFFAOYSA-N" . "InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)" . "Nc1ccn(c(=O)n1)C1CCC(O1)CO" . "Nc1ccn(c(=O)n1)[C@H]1CC[C@H](O1)CO" . "WREGKURFCTUGRC-POYBYMJQSA-N" . "InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1" . "OCC1OC(C(C1O)O)n1ccc(nc1=O)N" . "OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N" . "UHDGCWIWMRVCDJ-CCXZUQQUSA-N" . "InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1" . "O=c1n([nH]c2c1cnc1c2cccc1)c1ccccc1" . "O=c1n([nH]c2c1cnc1c2cccc1)c1ccccc1" . "XTYGFVVANLMBHE-UHFFFAOYSA-N" . "InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,18H" . "OCC12C(O)CC(CC2(O)CCC2C1C(O)CC1(C2(O)CCC1C1=CC(=O)OC1)C)OC1OC(C)C(C(C1O)O)O" . "OC[C@@]12[C@H](O)C[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1[C@H](O)C[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O" . "LPMXVESGRSUGHW-HBYQJFLCSA-N" . "InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1" . "COc1ccc2c(c1)[nH]c1c2CCN2C1CC1C(C2)CC(C(C1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC" . "COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC" . "QEVHRUUCFGRFIF-MDEJGZGSSA-N" . "InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1" . "OC(=O)CCCCC1SSCC1" . "OC(=O)CCCC[C@H]1SSCC1" . "AGBQKNBQESQNJD-SSDOTTSWSA-N" . "InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1" . "NC(C=C)CCC(=O)O" . "NC(C=C)CCC(=O)O" . "PJDFLNIOAUIZSL-UHFFFAOYSA-N" . "InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)" . "OC(=O)C(c1cccc(c1)Oc1ccccc1)C" . "OC(=O)C(c1cccc(c1)Oc1ccccc1)C" . "RDJGLLICXDHJDY-UHFFFAOYSA-N" . "InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)" . "OC(=O)C(c1ccc(cc1)C(CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)O)(C)C" . "OC(=O)C(c1ccc(cc1)C(CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)O)(C)C" . "RWTNPBWLLIMQHL-UHFFFAOYSA-N" . "InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)" . "OC(=O)C1CCCN(C1)CCC=C(c1sccc1C)c1sccc1C" . "OC(=O)[C@@H]1CCCN(C1)CC/C=C(/c1sccc1C)/c1sccc1C" . "PBJUNZJWGZTSKL-MRXNPFEDSA-N" . "InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1" . "O=CN1C(CNc2ccc(cc2)C(=O)NC(C(=O)O)CCC(=O)O)CNc2c1c(=O)nc([nH]2)N" . "O=CN1C(CNc2ccc(cc2)C(=O)N[C@H](C(=O)O)CCC(=O)O)CNc2c1c(=O)nc([nH]2)N" . "VVIAGPKUTFNRDU-ABLWVSNPSA-N" . "InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m0/s1" . "OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C" . "OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C" . "FBOZXECLQNJBKD-ZDUSSCGKSA-N" . "InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1" . "CSCCC(C(=O)O)N" . "CSCC[C@@H](C(=O)O)N" . "FFEARJCKVFRZRR-BYPYZUCNSA-N" . "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1" . "NC(=O)CC(C(=O)NC(C(CN1CC2CCCCC2CC1C(=O)NC(C)(C)C)O)Cc1ccccc1)NC(=O)c1ccc2c(n1)cccc2" . "NC(=O)C[C@@H](C(=O)N[C@H]([C@@H](CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)O)Cc1ccccc1)NC(=O)c1ccc2c(n1)cccc2" . "QWAXKHKRTORLEM-UGJKXSETSA-N" . "InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1" . "COCCCOc1cc(ccc1OC)CC(C(C)C)CC(C(CC(C(=O)NCC(C(=O)N)(C)C)C(C)C)O)N" . "COCCCOc1cc(ccc1OC)C[C@H](C(C)C)C[C@@H]([C@H](C[C@H](C(=O)NCC(C(=O)N)(C)C)C(C)C)O)N" . "UXOWGYHJODZGMF-QORCZRPOSA-N" . "InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1" . "CCN(CCNC(=O)c1ccc(cc1)N)CC" . "CCN(CCNC(=O)c1ccc(cc1)N)CC" . "REQCZEXYDRLIBE-UHFFFAOYSA-N" . "InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)" . "O=C(c1ccc(cc1)N)NCC(=O)O" . "O=C(c1ccc(cc1)N)NCC(=O)O" . "HSMNQINEKMPTIC-UHFFFAOYSA-N" . "InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)" . "OC(=O)C(=O)C" . "OC(=O)C(=O)C" . "LCTONWCANYUPML-UHFFFAOYSA-N" . "InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)" . "CCOc1ccccc1OC(c1ccccc1)C1OCCNC1" . "CCOc1ccccc1O[C@@H](c1ccccc1)[C@H]1OCCNC1" . "CBQGYUDMJHNJBX-OALUTQOASA-N" . "InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m0/s1" . "N#Cc1cccc(c1)C#Cc1csc(n1)C" . "N#Cc1cccc(c1)C#Cc1csc(n1)C" . "GRUPMMBRLDBTDD-UHFFFAOYSA-N" . "InChI=1S/C13H8N2S/c1-10-15-13(9-16-10)6-5-11-3-2-4-12(7-11)8-14/h2-4,7,9H,1H3" . "OCCN(c1nc(N2CCCCC2)c2c(n1)c(nc(n2)N(CCO)CCO)N1CCCCC1)CCO" . "OCCN(c1nc(N2CCCCC2)c2c(n1)c(nc(n2)N(CCO)CCO)N1CCCCC1)CCO" . "IZEKFCXSFNUWAM-UHFFFAOYSA-N" . "InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2" . "OCC1OC(C(C1O)O)n1cnc2c1nc(F)nc2N" . "OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1cnc2c1nc(F)nc2N" . "HBUBKKRHXORPQB-FJFJXFQQSA-N" . "InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6+,9-/m1/s1" . "OCC1OC(CC1O)n1cc(F)c(=O)[nH]c1=O" . "OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O" . "ODKNJVUHOIMIIZ-RRKCRQDMSA-N" . "InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1" . "CCc1nc(N)nc(c1c1ccc(cc1)Cl)N" . "CCc1nc(N)nc(c1c1ccc(cc1)Cl)N" . "WKSAUQYGYAYLPV-UHFFFAOYSA-N" . "InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)" . "OCC1OC(CC1O)n1cnc2c1nc(Cl)nc2N" . "OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(Cl)nc2N" . "PTOAARAWEBMLNO-KVQBGUIXSA-N" . "InChI=1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1" . "CNC1CCC(c2c1cccc2)c1ccc(c(c1)Cl)Cl" . "CN[C@H]1CC[C@H](c2c1cccc2)c1ccc(c(c1)Cl)Cl" . "VGKDLMBJGBXTGI-SJCJKPOMSA-N" . "InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1" . "Clc1ccc(cc1)C1(O)c2ccccc2C2=NCCN12" . "Clc1ccc(cc1)C1(O)c2ccccc2C2=NCCN12" . "ZPXSCAKFGYXMGA-UHFFFAOYSA-N" . "InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2" . "OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C" . "OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C" . "DKYWVDODHFEZIM-UHFFFAOYSA-N" . "InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)" . "NC(C(=O)O)C(C)C" . "N[C@H](C(=O)O)C(C)C" . "KZSNJWFQEVHDMF-BYPYZUCNSA-N" . "InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1" . "OCC1OC(C(C1O)(F)F)n1ccc(nc1=O)N" . "OC[C@H]1O[C@H](C([C@@H]1O)(F)F)n1ccc(nc1=O)N" . "SDUQYLNIPVEERB-QPPQHZFASA-N" . "InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1" . "CN1CC(c2ccccc2)c2c(C1)c(N)ccc2" . "CN1CC(c2ccccc2)c2c(C1)c(N)ccc2" . "XXPANQJNYNUNES-UHFFFAOYSA-N" . "InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3" . "OC(=O)C(Cc1ccc(cc1)O)N" . "OC(=O)[C@H](Cc1ccc(cc1)O)N" . "OUYCCCASQSFEME-QMMMGPOBSA-N" . "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1" . "Fc1ccc(cc1)C1CCNCC1COc1ccc2c(c1)OCO2" . "Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2c(c1)OCO2" . "AHOUBRCZNHFOSL-YOEHRIQHSA-N" . "InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1" . "Fc1c[nH]c(=O)[nH]c1=O" . "Fc1c[nH]c(=O)[nH]c1=O" . "GHASVSINZRGABV-UHFFFAOYSA-N" . "InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)" . "Nc1ncnc2c1[nH]cn2" . "Nc1ncnc2c1[nH]cn2" . "GFFGJBXGBJISGV-UHFFFAOYSA-N" . "InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)" . "OC(=O)CCCCC1SCC2C1NC(=O)N2" . "OC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2" . "YBJHBAHKTGYVGT-ZKWXMUAHSA-N" . "InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1" . "[O-]C(=O)C(=O)CBr" . "[O-]C(=O)C(=O)CBr" . "PRRZDZJYSJLDBS-UHFFFAOYSA-M" . "InChI=1S/C3H3BrO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)/p-1" . "C[S+](CC1OC(C(C1O)O)n1cnc2c1ncnc2N)CCC(C(=O)O)N" . "C[S+](C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)CC[C@@H](C(=O)O)N" . "MEFKEPWMEQBLKI-AIRLBKTGSA-O" . "InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27?/m0/s1" . "CC(C(C(=O)O)N)O" . "C[C@H]([C@@H](C(=O)O)N)O" . "AYFVYJQAPQTCCC-GBXIJSLDSA-N" . "InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1" . "NCC(=O)CCC(=O)O" . "NCC(=O)CCC(=O)O" . "ZGXJTSGNIOSYLO-UHFFFAOYSA-N" . "InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)" . "NC(=N)N" . "NC(=N)N" . "ZRALSGWEFCBTJO-UHFFFAOYSA-N" . "InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)" . "NC(C(=O)O)CS" . "N[C@H](C(=O)O)CS" . "XUJNEKJLAYXESH-REOHCLBHSA-N" . "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1" . "OCC(C1OC(=O)C(=C1O)O)O" . "OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O" . "CIWBSHSKHKDKBQ-JLAZNSOCSA-N" . "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1" . "OC(C[N+](C)(C)C)CC(=O)[O-]" . "O[C@@H](C[N+](C)(C)C)CC(=O)[O-]" . "PHIQHXFUZVPYII-ZCFIWIBFSA-N" . "InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1" . "CC(=O)CCC[n+]1ccc(cc1)C=Cc1ccc(cc1)N(C)C" . "CC(=O)CCC[n+]1ccc(cc1)/C=C/c1ccc(cc1)N(C)C" . "FEDCZUMZENXUPU-UHFFFAOYSA-N" . "InChI=1S/C20H25N2O/c1-17(23)5-4-14-22-15-12-19(13-16-22)7-6-18-8-10-20(11-9-18)21(2)3/h6-13,15-16H,4-5,14H2,1-3H3/q+1" . "Ic1cccc(c1)CN1CCC(C(C1)N1CCC(CC1)c1ccccc1)O" . "Ic1cccc(c1)CN1CC[C@H]([C@@H](C1)N1CCC(CC1)c1ccccc1)O" . "UBVKSFDICLMPLH-DHIUTWEWSA-N" . "InChI=1S/C23H29IN2O/c24-21-8-4-5-18(15-21)16-25-12-11-23(27)22(17-25)26-13-9-20(10-14-26)19-6-2-1-3-7-19/h1-8,15,20,22-23,27H,9-14,16-17H2/t22-,23-/m1/s1" . "COc1cc2c(cc1OC)CCN1C2CC(O)C(C1)CC(C)C" . "COc1cc2c(cc1OC)CCN1C2CC(O)C(C1)CC(C)C" . "WEQLWGNDNRARGE-UHFFFAOYSA-N" . "InChI=1S/C19H29NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16-17,21H,5-7,10-11H2,1-4H3" . "[N-]=[N+]=Nc1ccc2c(c1I)[nH]c(=O)n(c2=O)CCN1CCC(CC1)C(=O)c1ccc(cc1)F" . "[N-]=[N+]=Nc1ccc2c(c1[125I])[nH]c(=O)n(c2=O)CCN1CCC(CC1)C(=O)c1ccc(cc1)F" . "OALSEJAYBSRMHM-XXFZXMJFSA-N" . "InChI=1S/C22H20FIN6O3/c23-15-3-1-13(2-4-15)20(31)14-7-9-29(10-8-14)11-12-30-21(32)16-5-6-17(27-28-25)18(24)19(16)26-22(30)33/h1-6,14H,7-12H2,(H,26,33)/i24-2" . "OC1Cc2cccc(c2CC1N1CCC(CC1)c1ccccc1)I" . "O[C@@H]1Cc2cccc(c2C[C@H]1N1CCC(CC1)c1ccccc1)[123I]" . "FHYAUNJNVMGZQN-YKBXEZAISA-N" . "InChI=1S/C21H24INO/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14H2/t20-,21-/m1/s1/i22-4" . "OCC[N+](CC)(CC)CC" . "OCC[N+](CC)(CC)CC" . "GZBUMTPCIKCWFW-UHFFFAOYSA-N" . "InChI=1S/C8H20NO/c1-4-9(5-2,6-3)7-8-10/h10H,4-8H2,1-3H3/q+1" . "OC1CCCCC1N1CCC(CC1)c1ccccc1" . "OC1CCCCC1N1CCC(CC1)c1ccccc1" . "YSSBJODGIYRAMI-UHFFFAOYSA-N" . "InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2" . "OC1CCCCC1N1CCC(CC1)c1ccccc1" . "O([3H])C1CCCCC1N1CCC(CC1)c1ccccc1" . "YSSBJODGIYRAMI-SETVJMCQSA-N" . "InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/i19T" . "OCC1OC(Oc2cc(O)cc(c2C(=O)CCc2ccc(cc2)O)O)C(C(C1O)O)O" . "OC[C@H]1O[C@@H](Oc2cc(O)cc(c2C(=O)CCc2ccc(cc2)O)O)[C@@H]([C@H]([C@@H]1O)O)O" . "IOUVKUPGCMBWBT-QNDFHXLGSA-N" . "InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1" . "Fc1ccc(cc1)C(c1ccc(cc1)F)CCCNC1CCCc2c1c(O)no2" . "Fc1ccc(cc1)C(c1ccc(cc1)F)CCCNC1CCCc2c1c(O)no2" . "QOSIKKDOOCQXMT-UHFFFAOYSA-N" . "InChI=1S/C23H24F2N2O2/c24-17-10-6-15(7-11-17)19(16-8-12-18(25)13-9-16)3-2-14-26-20-4-1-5-21-22(20)23(28)27-29-21/h6-13,19-20,26H,1-5,14H2,(H,27,28)" . "OCC1OC(C(C1O)O)n1ccc2c1ncnc2N" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc2c1ncnc2N" . "HDZZVAMISRMYHH-KCGFPETGSA-N" . "InChI=1S/C11H14N4O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2,(H2,12,13,14)/t6-,7-,8-,11-/m1/s1" . "OCC1OC(c2ccc(c(c2)Cc2ccc(cc2)OC2COCC2)Cl)C(C(C1O)O)O" . "OC[C@H]1O[C@@H](c2ccc(c(c2)Cc2ccc(cc2)O[C@@H]2COCC2)Cl)[C@@H]([C@H]([C@@H]1O)O)O" . "OBWASQILIWPZMG-QZMOQZSNSA-N" . "InChI=1S/C23H27ClO7/c24-18-6-3-14(23-22(28)21(27)20(26)19(11-25)31-23)10-15(18)9-13-1-4-16(5-2-13)30-17-7-8-29-12-17/h1-6,10,17,19-23,25-28H,7-9,11-12H2/t17-,19+,20+,21-,22+,23-/m0/s1" . "OCC(Cc1ccccc1)N" . "OC[C@H](Cc1ccccc1)N" . "STVVMTBJNDTZBF-VIFPVBQESA-N" . "InChI=1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1" . "OCC(CC(C)C)N" . "OC[C@H](CC(C)C)N" . "VPSSPAXIFBTOHY-LURJTMIESA-N" . "InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m0/s1" . "O=C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)OS(=O)(=O)O" . "O=C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)OS(=O)(=O)O" . "JKKFKPJIXZFSSB-CBZIJGRNSA-N" . "InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1" . "O=C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)OS(=O)(=O)O" . "O=C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)OS(=O)(=O)O" . "JKKFKPJIXZFSSB-CBZIJGRNSA-N" . "InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1" . "OC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(=O)NCCS(=O)(=O)O)C)C)O)C" . "O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCCS(=O)(=O)O)C)C)O)C" . "BHTRKEVKTKCXOH-BJLOMENOSA-N" . "InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1" . "c1ccc(cc1)CCCCc1cnc[nH]1" . "c1ccc(cc1)CCCCc1cnc[nH]1" . "BQTXNCXSCSNHGA-UHFFFAOYSA-N" . "InChI=1S/C13H16N2/c1-2-6-12(7-3-1)8-4-5-9-13-10-14-11-15-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,14,15)" . "Cc1cccc(n1)C#Cc1ccccc1" . "Cc1cccc(n1)C#Cc1ccccc1" . "NEWKHUASLBMWRE-UHFFFAOYSA-N" . "InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3" . "OC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(=O)NCCS(=O)(=O)O)C)C)O)C" . "O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCCS(=O)(=O)O)C)C)O)C" . "BHTRKEVKTKCXOH-LBSADWJPSA-N" . "InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1" . "OCC1NC(C(C(C1O)O)O)S(=O)(=O)O" . "OC[C@H]1N[C@H]([C@@H]([C@H]([C@@H]1O)O)O)S(=O)(=O)O" . "PLICPKOWHZITQE-DVKNGEFBSA-N" . "InChI=1S/C6H13NO7S/c8-1-2-3(9)4(10)5(11)6(7-2)15(12,13)14/h2-11H,1H2,(H,12,13,14)/t2-,3-,4+,5-,6+/m1/s1" . "CCCc1nn(c2c1[nH]c(nc2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)C)C" . "CCCc1nn(c2c1[nH]c(nc2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)C)C" . "BNRNXUUZRGQAQC-UHFFFAOYSA-N" . "InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)" . "OC(=O)c1cc(N2CCCC2)c(c(c1)S(=O)(=O)N)Oc1ccccc1" . "OC(=O)c1cc(N2CCCC2)c(c(c1)S(=O)(=O)N)Oc1ccccc1" . "UJEWTUDSLQGTOA-UHFFFAOYSA-N" . "InChI=1S/C17H18N2O5S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23)" . "OCC1OC(OP(=O)(OP(=O)(OCC2OC(C(C2O)O)n2ccc(=O)[nH]c2=O)O)O)C(C(C1O)O)NC(=O)C" . "OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@H]1O)O)NC(=O)C" . "LFTYTUAZOPRMMI-NESSUJCYSA-N" . "InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11+,12-,13-,14-,15-,16-/m1/s1" . "OCC(COP(=O)(O)O)O" . "OCC(COP(=O)(O)O)O" . "AWUCVROLDVIAJX-UHFFFAOYSA-N" . "InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)" . "NC=O" . "NC=O" . "ZHNUHDYFZUAESO-UHFFFAOYSA-N" . "InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)" . "OCC1OC(Oc2cc(O)c3c(c2)OC(CC3=O)c2ccc(cc2)O)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O" . "OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@@H](CC3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O" . "DFPMSGMNTNDNHN-ZPHOTFPESA-N" . "InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1" . "OCC1OC(C(C1O)O)c1n[nH]c2c1[nH]cnc2=O" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)c1n[nH]c2c1[nH]cnc2=O" . "MTCJZZBQNCXKAP-KSYZLYKTSA-N" . "InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18)/t3-,7-,8-,9+/m1/s1" . "OCC(CC1NC(=O)C2NC(=O)C(C)NC(=O)C3CC(CN3C(=O)C(CSc3c(C2)c2ccccc2[nH]3)NC(=O)C(NC(=O)C(NC1=O)C)C(O)C)O)(O)C" . "OCC(CC1NC(=O)C2NC(=O)C(C)NC(=O)C3CC(CN3C(=O)C(CSc3c(C2)c2ccccc2[nH]3)NC(=O)C(NC(=O)C(NC1=O)C)C(O)C)O)(O)C" . "KPKZJLCSROULON-UHFFFAOYSA-N" . "InChI=1S/C35H48N8O11S/c1-15-27(47)38-22-10-20-19-7-5-6-8-21(19)41-33(20)55-13-24(34(53)43-12-18(46)9-25(43)31(51)37-15)40-32(52)26(17(3)45)42-28(48)16(2)36-30(50)23(39-29(22)49)11-35(4,54)14-44/h5-8,15-18,22-26,41,44-46,54H,9-14H2,1-4H3,(H,36,50)(H,37,51)(H,38,47)(H,39,49)(H,40,52)(H,42,48)" . "OCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O" . "OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O" . "IQFYYKKMVGJFEH-XLPZGREQSA-N" . "InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1" . "OC(=O)C(Cc1c[nH]c2c1cc(O)cc2)N" . "OC(=O)[C@H](Cc1c[nH]c2c1cc(O)cc2)N" . "LDCYZAJDBXYCGN-VIFPVBQESA-N" . "InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1" . "COC(C(C=C(C=CC1NC(=O)C(CCCN=C(N)N)NC(=O)C(C)C(NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC(=O)C1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1" . "CO[C@H]([C@H](/C=C(/C=C/[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C)C)C(=O)O)/C)C)Cc1ccccc1" . "ZYZCGGRZINLQBL-GWRQVWKTSA-N" . "InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1" . "CCOc1cc2c(cc1OCC)nc(nc2N1CCC(CC1)n1c(=O)c2cc(C)ccc2n(c1=O)C)N1CCOCC1" . "CCOc1cc2c(cc1OCC)nc(nc2N1CCC(CC1)n1c(=O)c2cc(C)ccc2n(c1=O)C)N1CCOCC1" . "MXOWYPVUVPQDNZ-UHFFFAOYSA-N" . "InChI=1S/C31H38N6O5/c1-5-41-26-18-22-24(19-27(26)42-6-2)32-30(36-13-15-40-16-14-36)33-28(22)35-11-9-21(10-12-35)37-29(38)23-17-20(3)7-8-25(23)34(4)31(37)39/h7-8,17-19,21H,5-6,9-16H2,1-4H3" . "OC1C(COP(=O)(OP(=O)(OC2OCC(C(C2O)O)O)O)O)OC(C1O)n1ccc(=O)[nH]c1=O" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(O[C@H]2OC[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O" . "DQQDLYVHOTZLOR-OCIMBMBZSA-N" . "InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6-,8+,9-,10-,11-,12-,13-/m1/s1" . "OCC1OC(C(C1O)O)n1cccnc1=O" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cccnc1=O" . "RPQZTTQVRYEKCR-WCTZXXKLSA-N" . "InChI=1S/C9H12N2O5/c12-4-5-6(13)7(14)8(16-5)11-3-1-2-10-9(11)15/h1-3,5-8,12-14H,4H2/t5-,6-,7-,8-/m1/s1" . "OCC1OC(C(C1O)O)n1ccc(nc1=O)N" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N" . "UHDGCWIWMRVCDJ-XVFCMESISA-N" . "InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1" . "O=c1[nH]oc2c1CNCC2" . "O=c1[nH]oc2c1CNCC2" . "SXXLKZCNJHJYFL-UHFFFAOYSA-N" . "InChI=1S/C6H8N2O2/c9-6-4-3-7-2-1-5(4)10-8-6/h7H,1-3H2,(H,8,9)" . "O=C1OCC(=C1)C1CCC2(C1(C)C(O)CC1C2CCC2C1(C)CCC(C2)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O" . "O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O)O" . "LTMHDMANZUZIPE-PUGKRICDSA-N" . "InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1" . "O=C1OCC(=C1)C1CCC2(C1(C)C(O)CC1C2CCC2C1(C)CCC(C2)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O" . "O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O)O" . "LTMHDMANZUZIPE-PUGKRICDSA-N" . "InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1" . "OCC(C(C(C=O)O)O)O" . "OC[C@H]([C@@H]([C@H](C=O)O)O)O" . "PYMYPHUHKUWMLA-VPENINKCSA-N" . "InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1" . "O=CC(C(C(C(C(=O)O)O)O)O)O" . "O=C[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O" . "IAJILQKETJEXLJ-QTBDOELSSA-N" . "InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4-,5-/m0/s1" . "O=CC(C(C(C(O)C)O)O)O" . "O=C[C@@H]([C@H]([C@H]([C@H](O)C)O)O)O" . "PNNNRSAQSRJVSB-DPYQTVNSSA-N" . "InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4+,5+,6-/m1/s1" . "O=CC(C(C(C(O)C)O)O)O" . "O=C[C@H]([C@@H]([C@@H]([C@@H](O)C)O)O)O" . "PNNNRSAQSRJVSB-KCDKBNATSA-N" . "InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4+,5+,6-/m0/s1" . "OCC(C(C(C=O)O)O)O" . "OC[C@@H]([C@H]([C@@H](C=O)O)O)O" . "PYMYPHUHKUWMLA-WISUUJSJSA-N" . "InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m1/s1" . "OCC(C(C(C(C=O)O)O)O)O" . "OC[C@@H]([C@@H]([C@H]([C@@H](C=O)O)O)O)O" . "GZCGUPFRVQAUEE-VANKVMQKSA-N" . "InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m1/s1" . "COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC" . "COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC" . "QVZCXCJXTMIDME-UHFFFAOYSA-N" . "InChI=1S/C31H44N2O10/c1-36-24-18-22(19-25(37-2)28(24)40-5)30(34)42-16-8-12-32-10-7-11-33(15-14-32)13-9-17-43-31(35)23-20-26(38-3)29(41-6)27(21-23)39-4/h18-21H,7-17H2,1-6H3" . "OCC(OCn1cnc2c1[nH]c(N)nc2=O)COC(=O)C(C(C)C)N" . "OCC(OCn1cnc2c1[nH]c(N)nc2=O)COC(=O)[C@H](C(C)C)N" . "WPVFJKSGQUFQAP-GKAPJAKFSA-N" . "InChI=1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8?,9-/m0/s1" . "OC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(=O)NCC(=O)O)C)C)O)C" . "O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCC(=O)O)C)C)O)C" . "GHCZAUBVMUEKKP-XROMFQGDSA-N" . "InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21+,24+,25+,26-/m1/s1" . "OC1CCC2(C(C1)CCC1C2CC(O)C2(C1CCC2C(CCC(=O)NCC(=O)O)C)C)C" . "O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCC(=O)O)C)C)C" . "WVULKSPCQVQLCU-BUXLTGKBSA-N" . "InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1" . "NCCC(=O)NC(C(=O)O)Cc1nc[nH]c1" . "NCCC(=O)N[C@H](C(=O)O)Cc1nc[nH]c1" . "CQOVPNPJLQNMDC-ZETCQYMHSA-N" . "InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1" . "CN(CC(=O)O)CCOc1ccc(cc1C(C)(C)C)c1ccc2c(c1)OCO2" . "CN(CC(=O)O)CCOc1ccc(cc1C(C)(C)C)c1ccc2c(c1)OCO2" . "FKPLJWGRBCQLTL-UHFFFAOYSA-N" . "InChI=1S/C22H27NO5/c1-22(2,3)17-11-15(16-6-8-19-20(12-16)28-14-27-19)5-7-18(17)26-10-9-23(4)13-21(24)25/h5-8,11-12H,9-10,13-14H2,1-4H3,(H,24,25)" . "OCCCC(=O)O" . "OCCCC(=O)O" . "SJZRECIVHVDYJC-UHFFFAOYSA-N" . "InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)" . "CCCCCC=CCC=CCC=CCCCCC(=O)O" . "CCCCC/C=C/C/C=C/C/C=C/CCCCC(=O)O" . "VZCCETWTMQHEPK-QNEBEIHSSA-N" . "InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-" . "OC(=O)CCc1c[nH]c2c1cccc2" . "OC(=O)CCc1c[nH]c2c1cccc2" . "GOLXRNDWAUTYKT-UHFFFAOYSA-N" . "InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)" . "OC(=O)CCC(C(=O)O)N" . "OC(=O)CC[C@H](C(=O)O)N" . "WHUUTDBJXJRKMK-GSVOUGTGSA-N" . "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1" . "OC(=O)CCN=C(N)N" . "OC(=O)CCN=C(N)N" . "KMXXSJLYVJEBHI-UHFFFAOYSA-N" . "InChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7)" . "OC(=O)C1CCCN(C1)CCC=C(c1ccccc1)c1ccccc1" . "OC(=O)C1CCCN(C1)CC/C=C(/c1ccccc1)/c1ccccc1" . "TXQKSMSLZVKQBI-UHFFFAOYSA-N" . "InChI=1S/C22H25NO2/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25)" . "OC1CNC(C1)C(=O)O" . "O[C@H]1CN[C@@H](C1)C(=O)O" . "PMMYEEVYMWASQN-DMTCNVIQSA-N" . "InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1" . "O=C1CCC(N1)C(=O)O" . "O=C1CCC(N1)C(=O)O" . "ODHCTXKNWHHXJC-UHFFFAOYSA-N" . "InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)" . "NCc1ccc(cc1)C(=O)O" . "NCc1ccc(cc1)C(=O)O" . "QCTBMLYLENLHLA-UHFFFAOYSA-N" . "InChI=1S/C8H9NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H,10,11)" . "OC(=O)c1c(cccc1C(=O)O)C(=O)O" . "OC(=O)c1c(cccc1C(=O)O)C(=O)O" . "UJMDYLWCYJJYMO-UHFFFAOYSA-N" . "InChI=1S/C9H6O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)" . "OC(=O)C1(N)CC2CC1CC2" . "OC(=O)C1(N)CC2CC1CC2" . "MPUVBVXDFRDIPT-UHFFFAOYSA-N" . "InChI=1S/C8H13NO2/c9-8(7(10)11)4-5-1-2-6(8)3-5/h5-6H,1-4,9H2,(H,10,11)" . "CC(CC(=O)O)O" . "C[C@@H](CC(=O)O)O" . "WHBMMWSBFZVSSR-VKHMYHEASA-N" . "InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1" . "OC(=O)CC(C(=O)O)N" . "OC(=O)C[C@H](C(=O)O)N" . "CKLJMWTZIZZHCS-UWTATZPHSA-N" . "InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1" . "CNC(C(=O)O)(C)C" . "CNC(C(=O)O)(C)C" . "DLAMVQGYEVKIRE-UHFFFAOYSA-N" . "InChI=1S/C5H11NO2/c1-5(2,6-3)4(7)8/h6H,1-3H3,(H,7,8)" . "OS(=O)CC(C(=O)O)N" . "OS(=O)CC(C(=O)O)N" . "ADVPTQAUNPRNPO-UHFFFAOYSA-N" . "InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)" . "OC(=O)C(Cc1cn(c2c1cccc2)C)N" . "OC(=O)C(Cc1cn(c2c1cccc2)C)N" . "ZADWXFSZEAPBJS-UHFFFAOYSA-N" . "InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)" . "OC(=O)C(Cc1c[nH]c2c1cccc2)(N)C" . "OC(=O)C(Cc1c[nH]c2c1cccc2)(N)C" . "ZTTWHZHBPDYSQB-UHFFFAOYSA-N" . "InChI=1S/C12H14N2O2/c1-12(13,11(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,14H,6,13H2,1H3,(H,15,16)" . "OC(=O)C(=C)OP(=O)(O)O" . "OC(=O)C(=C)OP(=O)(O)O" . "DTBNBXWJWCWCIK-UHFFFAOYSA-N" . "InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)" . "COC(C(=CC=C(C(=O)O)C)C)CC=CC=CCCC=CCC(C=CC(=CC(=O)O)CC(=O)O)C" . "CO[C@@H](/C(=C/C=C(/C(=O)O)/C)/C)C/C=C/C=C/CC/C=C/C[C@@H](/C=C/C(=C/C(=O)O)/CC(=O)O)C" . "SHCXABJSXUACKU-WUTQZGRKSA-N" . "InChI=1S/C28H38O7/c1-21(15-18-24(19-26(29)30)20-27(31)32)13-11-9-7-5-6-8-10-12-14-25(35-4)22(2)16-17-23(3)28(33)34/h6,8-12,15-19,21,25H,5,7,13-14,20H2,1-4H3,(H,29,30)(H,31,32)(H,33,34)/b8-6+,11-9+,12-10-,18-15+,22-16-,23-17+,24-19+/t21-,25+/m0/s1" . "OC1C(OC2OC(C(=O)O)C(C(C2O)O)O)C(OC(C1O)C(=O)O)OC1CCC2(C(C1(C)C)CCC1(C2C(=O)C=C2C1(C)CCC1(C2CC(C)(CC1)C(=O)O)C)C)C" . "O[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C" . "LPLVUJXQOOQHMX-QWBHMCJMSA-N" . "InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1" . "OC(=O)C1OC(OC2CCC3C2(C)CCC2C3CCc3c2ccc(c3)O)C(C(C1O)O)O" . "OC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@@H]3[C@]2(C)CC[C@H]2[C@H]3CCc3c2ccc(c3)O)[C@@H]([C@H]([C@@H]1O)O)O" . "MTKNDAQYHASLID-QXYWQCSFSA-N" . "InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1" . "OC(=O)C1CCCN(C1)CCC=C(c1sccc1C)c1sccc1C" . "OC(=O)[C@@H]1CCCN(C1)CC/C=C(/c1sccc1C)/c1sccc1C" . "PBJUNZJWGZTSKL-MRXNPFEDSA-N" . "InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1" . "OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCC1CNc2c(N1C)c(=O)nc([nH]2)N" . "OC(=O)CC[C@H](C(=O)O)NC(=O)c1ccc(cc1)NCC1CNc2c(N1C)c(=O)nc([nH]2)N" . "ZNOVTXRBGFNYRX-ZGTCLIOFSA-N" . "InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12?,13-/m1/s1" . "NC(=O)NCCCC(C(=O)O)N" . "NC(=O)NCCC[C@H](C(=O)O)N" . "RHGKLRLOHDJJDR-SCSAIBSYSA-N" . "InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m1/s1" . "NC(C(=O)O)CCCN" . "N[C@@H](C(=O)O)CCCN" . "AHLPHDHHMVZTML-SCSAIBSYSA-N" . "InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m1/s1" . "NCCCCC(C(=O)O)N" . "NCCCC[C@H](C(=O)O)N" . "KDXKERNSBIXSRK-RXMQYKEDSA-N" . "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1" . "OC(=O)C(CCCN=C(N)N)N" . "OC(=O)[C@@H](CCCN=C(N)N)N" . "ODKSFYDXXFIFQN-SCSAIBSYSA-N" . "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m1/s1" . "NC(C(=O)O)Cc1c[nH]cn1" . "N[C@@H](C(=O)O)Cc1c[nH]cn1" . "HNDVDQJCIGZPNO-RXMQYKEDSA-N" . "InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m1/s1" . "CC(C(=O)O)N" . "C[C@H](C(=O)O)N" . "QNAYBMKLOCPYGJ-UWTATZPHSA-N" . "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1" . "COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccc(cc1)OC)OCCN1CCCC(C1)C(=O)O" . "COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccc(cc1)OC)OCCN1CCC[C@@H](C1)C(=O)O" . "VDLDUZLDZBVOAS-QFIPXVFZSA-N" . "InChI=1S/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)/t22-/m0/s1" . "OC(=O)C1CCCN1" . "OC(=O)[C@H]1CCCN1" . "ONIBWKKTOPOVIA-SCSAIBSYSA-N" . "InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1" . "OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCC1CNc2c(N1)c(=O)nc([nH]2)N" . "OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCC1CNc2c(N1)c(=O)nc([nH]2)N" . "MSTNYGQPCMXVAQ-KIYNQFGBSA-N" . "InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11?,12-/m0/s1" . "OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C" . "OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C" . "FBOZXECLQNJBKD-ZDUSSCGKSA-N" . "InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1" . "CC1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)NC(C(=O)O)Cc1ccccc1" . "C[C@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)N[C@H](C(=O)O)Cc1ccccc1" . "RWQKHEORZBHNRI-BMIGLBTASA-N" . "InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1" . "OC(=O)C1=CCCN(C1)CCON=C(c1ccccc1)c1ccccc1" . "OC(=O)C1=CCCN(C1)CCO/N=C(/c1ccccc1)/c1ccccc1" . "NGNALWDRPKNJGR-UHFFFAOYSA-N" . "InChI=1S/C21H22N2O3/c24-21(25)19-12-7-13-23(16-19)14-15-26-22-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12H,7,13-16H2,(H,24,25)" . "OCC(C(C(=O)NCCC(=O)O)O)(C)C" . "OCC([C@H](C(=O)NCCC(=O)O)O)(C)C" . "GHOKWGTUZJEAQD-ZETCQYMHSA-N" . "InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1" . "OCC1OC(C(C1O)O)n1ccc(=O)[nH]c1=O" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(=O)[nH]c1=O" . "DRTQHJPVMGBUCF-XVFCMESISA-N" . "InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1" . "COc1cc(cc(c1OCc1ccccc1)OC)C(=O)NCC1(CCCC1)N(C)C" . "COc1cc(cc(c1OCc1ccccc1)OC)C(=O)NCC1(CCCC1)N(C)C" . "ZCYOBMASPXQBSZ-UHFFFAOYSA-N" . "InChI=1S/C24H32N2O4/c1-26(2)24(12-8-9-13-24)17-25-23(27)19-14-20(28-3)22(21(15-19)29-4)30-16-18-10-6-5-7-11-18/h5-7,10-11,14-15H,8-9,12-13,16-17H2,1-4H3,(H,25,27)" . "C[n+]1ccc(cc1)Nc1ccc(cc1)NC(=O)c1ccc(cc1)Nc1cc[n+](c2c1cccc2)C" . "C[n+]1ccc(cc1)Nc1ccc(cc1)NC(=O)c1ccc(cc1)Nc1cc[n+](c2c1cccc2)C" . "PMCURUPNDHFYCG-UHFFFAOYSA-P" . "InChI=1S/C29H25N5O/c1-33-18-15-25(16-19-33)30-22-11-13-24(14-12-22)32-29(35)21-7-9-23(10-8-21)31-27-17-20-34(2)28-6-4-3-5-26(27)28/h3-20H,1-2H3,(H,32,35)/p+2" . "O=C(Nc1scc(n1)C)CSc1ccc(nn1)c1ccccc1" . "O=C(Nc1scc(n1)C)CSc1ccc(nn1)c1ccccc1" . "WJRWSLORVIHRNX-UHFFFAOYSA-N" . "InChI=1S/C16H14N4OS2/c1-11-9-23-16(17-11)18-14(21)10-22-15-8-7-13(19-20-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18,21)" . "OC(CNC(C)(C)C)COc1ccc(cc1)NC(=O)NC1CCCCC1" . "OC(CNC(C)(C)C)COc1ccc(cc1)NC(=O)NC1CCCCC1" . "MXFWWQICDIZSOA-UHFFFAOYSA-N" . "InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)" . "OCC(C(C1OC(CC(C1NC(=O)C)O)(OP(=O)(OCC1OC(C(C1O)O)n1ccc(nc1=O)N)O)C(=O)O)O)O" . "OC[C@H]([C@H]([C@@H]1O[C@](C[C@@H]([C@H]1NC(=O)C)O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)C(=O)O)O)O" . "TXCIAUNLDRJGJZ-BILDWYJOSA-N" . "InChI=1S/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34)/t8-,9+,10+,12+,13+,14+,15+,16+,17+,20+/m0/s1" . "CNC(=O)N" . "CNC(=O)N" . "XGEGHDBEHXKFPX-UHFFFAOYSA-N" . "InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)" . "CC(=O)N" . "CC(=O)N" . "DLFVBJFMPXGRIB-UHFFFAOYSA-N" . "InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)" . "CN(C(=O)CN)CC(=O)O" . "CN(C(=O)CN)CC(=O)O" . "VYAMLSCELQQRAE-UHFFFAOYSA-N" . "InChI=1S/C5H10N2O3/c1-7(3-5(9)10)4(8)2-6/h2-3,6H2,1H3,(H,9,10)" . "C[n+]1cccc(c1)C(=O)N" . "C[n+]1cccc(c1)C(=O)N" . "LDHMAVIPBRSVRG-UHFFFAOYSA-O" . "InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1" . "OC(=O)CCCC(=O)C(=O)O" . "OC(=O)CCCC(=O)C(=O)O" . "FGSBNBBHOZHUBO-UHFFFAOYSA-N" . "InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)" . "CC(CC(=O)C(=O)O)C" . "CC(CC(=O)C(=O)O)C" . "BKAJNAXTPSGJCU-UHFFFAOYSA-N" . "InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)" . "Nc1ccc(c(c1)C(=O)[O-])O" . "Nc1ccc(c(c1)C(=O)[O-])O" . "KBOPZPXVLCULAV-UHFFFAOYSA-M" . "InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)/p-1" . "OCC(C(C(C(=O)CO)O)O)O" . "OC[C@H]([C@H]([C@@H](C(=O)CO)O)O)O" . "BJHIKXHVCXFQLS-UYFOZJQFSA-N" . "InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1" . "O=[NH+]C=c1ccccn1C" . "O=[NH+]C=c1ccccn1C" . "JBKPUQTUERUYQE-UHFFFAOYSA-O" . "InChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1" . "OCC(C1OC(=O)C(=C1O)O)O" . "OC[C@H]([C@@H]1OC(=O)C(=C1O)O)O" . "CIWBSHSKHKDKBQ-MVHIGOERSA-N" . "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m1/s1" . "OCC1OC(O)C(C(C1O)O)O" . "OC[C@H]1OC(O)[C@H]([C@H]([C@@H]1O)O)O" . "WQZGKKKJIJFFOK-QTVWNMPRSA-N" . "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1" . "OC1C(O)C(O)C(C(C1O)O)O" . "O[C@@H]1[C@@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)O)O" . "CDAISMWEOUEBRE-CDRYSYESSA-N" . "InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3+,4+,5-,6-" . "OC1C(O)C(O)C(C(C1O)O)O" . "O[C@@H]1[C@H](O)[C@@H](O)[C@@H]([C@@H]([C@H]1O)O)O" . "CDAISMWEOUEBRE-GNIYUCBRSA-N" . "InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5+,6+" . "OC1OC(COP(=O)(O)O)C(C(C1O)O)O" . "OC1O[C@H](COP(=O)(O)O)[C@H]([C@@H]([C@H]1O)O)O" . "NBSCHQHZLSJFNQ-GASJEMHNSA-N" . "InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1" . "OCC1OC(O)C(C(C1O)O)O" . "OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@H]1O)O)O" . "WQZGKKKJIJFFOK-PHYPRBDBSA-N" . "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1" . "OCC(C(C(C(C(CC(=O)C(=O)O)O)NC(=O)C)O)O)O" . "OC[C@H]([C@H]([C@@H]([C@@H]([C@H](CC(=O)C(=O)O)O)NC(=O)C)O)O)O" . "KBGAYAKRZNYFFG-BOHATCBPSA-N" . "InChI=1S/C11H19NO9/c1-4(14)12-8(5(15)2-6(16)11(20)21)10(19)9(18)7(17)3-13/h5,7-10,13,15,17-19H,2-3H2,1H3,(H,12,14)(H,20,21)/t5-,7+,8+,9+,10+/m0/s1" . "OCC1OC(O)CC(C1O)O" . "OC[C@H]1OC(O)C[C@H]([C@@H]1O)O" . "PMMURAAUARKVCB-CERMHHMHSA-N" . "InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5?,6+/m1/s1" . "OCC1NCC(C(C1O)O)O" . "OC[C@H]1NC[C@@H]([C@H]([C@@H]1O)O)O" . "LXBIFEVIBLOUGU-JGWLITMVSA-N" . "InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1" . "c1ccc(cc1)CCCN1CCN(CC1)CCOC(c1ccccc1)c1ccccc1" . "c1ccc(cc1)CCCN1CCN(CC1)CCOC(c1ccccc1)c1ccccc1" . "RAQPOZGWANIDQT-UHFFFAOYSA-N" . "InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2" . "c1ccc(cc1)CCCN1CCN(CC1)CCOC(c1ccccc1)c1ccccc1" . "c1ccc(cc1)CCCN1CCN(CC1)CCOC(c1ccccc1)c1ccccc1" . "RAQPOZGWANIDQT-UHFFFAOYSA-N" . "InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2" . "CNCCC(c1ccccc1)Oc1ccccc1OC" . "CNCCC(c1ccccc1)Oc1ccccc1OC" . "ITJNARMNRKSWTA-UHFFFAOYSA-N" . "InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3" . "CNCCC(c1ccccc1)Oc1ccccc1OC" . "COc1ccccc1OC(c1ccccc1)CCNC([3H])([3H])[3H]" . "ITJNARMNRKSWTA-RLXJOQACSA-N" . "InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3/i1T3" . "OCC(C(C1NC(=O)C2CC(CN2C(=O)C(CC(=O)N)NC(=O)C2CS(=O)c3c(CC(NC1=O)C(=O)NCC(=O)NC(C(CC)C)C(=O)NCC(=O)N2)c1ccc(cc1[nH]3)O)O)C)O" . "OC[C@@H](C([C@@H]1NC(=O)[C@@H]2CC(CN2C(=O)[C@H](CC(=O)N)NC(=O)[C@@H]2CS(=O)c3c(C[C@H](NC1=O)C(=O)NCC(=O)N[C@@H](C(CC)C)C(=O)NCC(=O)N2)c1ccc(cc1[nH]3)O)O)C)O" . "CIORWBWIBBPXCG-JZTFPUPKSA-N" . "InChI=1S/C39H54N10O14S/c1-4-16(2)31-36(60)42-11-29(55)43-25-15-64(63)38-21(20-6-5-18(51)7-22(20)46-38)9-23(33(57)41-12-30(56)47-31)44-37(61)32(17(3)27(53)14-50)48-35(59)26-8-19(52)13-49(26)39(62)24(10-28(40)54)45-34(25)58/h5-7,16-17,19,23-27,31-32,46,50-53H,4,8-15H2,1-3H3,(H2,40,54)(H,41,57)(H,42,60)(H,43,55)(H,44,61)(H,45,58)(H,47,56)(H,48,59)/t16?,17?,19?,23-,24-,25-,26-,27-,31-,32-,64?/m0/s1" . "NC(C(C(=O)O)OCc1ccccc1)C(=O)O" . "N[C@@H]([C@@H](C(=O)O)OCc1ccccc1)C(=O)O" . "BYOBCYXURWDEDS-IUCAKERBSA-N" . "InChI=1S/C11H13NO5/c12-8(10(13)14)9(11(15)16)17-6-7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,14)(H,15,16)/t8-,9-/m0/s1" . "OCC1CC(C(O1)n1cnc2c1ncnc2N)O" . "OC[C@@H]1C[C@H]([C@@H](O1)n1cnc2c1ncnc2N)O" . "OFEZSBMBBKLLBJ-BAJZRUMYSA-N" . "InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1" . "OCCc1sc[n+](c1C)Cc1cnc(nc1N)C" . "OCCc1sc[n+](c1C)Cc1cnc(nc1N)C" . "JZRWCGZRTZMZEH-UHFFFAOYSA-N" . "InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1" . "OCCc1sc[n+](c1C)Cc1cnc(nc1N)C" . "OCCc1sc[n+](c1C)Cc1cnc(nc1N)C" . "JZRWCGZRTZMZEH-UHFFFAOYSA-N" . "InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1" . "OC(=O)C(Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O)N" . "OC(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc1cc([125I])c(c(c1)I)O)N" . "XUIIKFGFIJCVMT-SUXPHOQTSA-N" . "InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1/i16-2" . "O=C(CC(C(=O)O)N)Nc1ccc2c(c1)Cc1c2cccc1" . "O=C(C[C@@H](C(=O)O)N)Nc1ccc2c(c1)Cc1c2cccc1" . "QDIIRLCSVINDSC-HNNXBMFYSA-N" . "InChI=1S/C17H16N2O3/c18-15(17(21)22)9-16(20)19-12-5-6-14-11(8-12)7-10-3-1-2-4-13(10)14/h1-6,8,15H,7,9,18H2,(H,19,20)(H,21,22)/t15-/m0/s1" . "NC(C(C(=O)O)Cc1ccccc1)C(=O)O" . "N[C@@H]([C@@H](C(=O)O)Cc1ccccc1)C(=O)O" . "KMVYGTIPJNGNRD-IUCAKERBSA-N" . "InChI=1S/C11H13NO4/c12-9(11(15)16)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,14)(H,15,16)/t8-,9-/m0/s1" . "[C]N" . "[14C]N" . "OGBYLFXCCAHRHC-NJFSPNSNSA-N" . "InChI=1S/CH2N/c1-2/h2H2/i1+2" . "NC(C(=O)O)Cc1c[nH]cn1" . "N[14C@H](C(=O)O)Cc1c[nH]cn1" . "HNDVDQJCIGZPNO-YDUYVQCESA-N" . "InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1/i5+2" . "Fc1cccc(c1)C(c1ccccc1OCc1ccccc1)OCC(C(=O)O)N" . "Fc1cccc(c1)C(c1ccccc1OCc1ccccc1)OC[C@@H](C(=O)O)N" . "ADUSZEGHFWRTQS-AIBWNMTMSA-N" . "InChI=1S/C23H22FNO4/c24-18-10-6-9-17(13-18)22(29-15-20(25)23(26)27)19-11-4-5-12-21(19)28-14-16-7-2-1-3-8-16/h1-13,20,22H,14-15,25H2,(H,26,27)/t20-,22?/m0/s1" . "N#Cc1ccc2c(c1)COC2(CCCN(C)C)c1ccc(cc1)F" . "N#Cc1ccc2c(c1)COC2(CCCN(C)C)c1ccc(cc1)F" . "WSEQXVZVJXJVFP-UHFFFAOYSA-N" . "InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3" . "[O-]C(=O)c1ccccc1" . "[O-]C(=O)c1ccccc1" . "WPYMKLBDIGXBTP-UHFFFAOYSA-M" . "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1" . "CN(CC(=O)O)CCC(c1ccc(cc1)F)Oc1ccc(cc1)c1ccccc1" . "CN(CC(=O)O)CCC(c1ccc(cc1)F)Oc1ccc(cc1)c1ccccc1" . "FDORQEIHOKEJNX-UHFFFAOYSA-N" . "InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)" . "CN(CC(=O)O)CCC(c1ccc(cc1)F)Oc1ccc(cc1)c1ccccc1" . "CN(CC(=O)O)CCC(c1ccc(cc1)F)Oc1ccc(cc1)c1ccccc1" . "FDORQEIHOKEJNX-UHFFFAOYSA-N" . "InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)" . "CN(CC(=O)O)CCC(c1ccc(cc1)F)Oc1ccc(cc1)c1ccccc1" . "CN(CC(=O)O)CC[C@H](c1ccc(cc1)F)Oc1ccc(cc1)c1ccccc1" . "FDORQEIHOKEJNX-HSZRJFAPSA-N" . "InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m1/s1" . "CCOc1ccc(c(c1)N)Oc1ccc(cc1)OCc1cc(F)ccc1F" . "CCOc1ccc(c(c1)N)Oc1ccc(cc1)OCc1cc(F)ccc1F" . "YSUBLPUJDOWYDP-UHFFFAOYSA-N" . "InChI=1S/C21H19F2NO3/c1-2-25-18-8-10-21(20(24)12-18)27-17-6-4-16(5-7-17)26-13-14-11-15(22)3-9-19(14)23/h3-12H,2,13,24H2,1H3" . "OCC1OC(C(C1O)O)n1cc(F)c(=O)[nH]c1=O" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(F)c(=O)[nH]c1=O" . "FHIDNBAQOFJWCA-UAKXSSHOSA-N" . "InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1" . "CCNC(Cc1cccc(c1)C(F)(F)F)C" . "CCNC(Cc1cccc(c1)C(F)(F)F)C" . "DBGIVFWFUFKIQN-UHFFFAOYSA-N" . "InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3" . "OC(=O)C1=CCCN(C1)CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F" . "OC(=O)C1=CCCN(C1)CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F" . "CMHQDSBIBSKHFP-UHFFFAOYSA-N" . "InChI=1S/C23H21F6NO3/c24-22(25,26)18-7-3-15(4-8-18)20(16-5-9-19(10-6-16)23(27,28)29)33-13-12-30-11-1-2-17(14-30)21(31)32/h2-10,20H,1,11-14H2,(H,31,32)" . "COc1ccccc1C1(O)CCN(CC1)CCCn1c2ccccc2c2c1cccc2" . "COc1ccccc1C1(O)CCN(CC1)CCCn1c2ccccc2c2c1cccc2" . "XZZYCJOGZYEPPW-UHFFFAOYSA-N" . "InChI=1S/C27H30N2O2/c1-31-26-14-7-4-11-23(26)27(30)15-19-28(20-16-27)17-8-18-29-24-12-5-2-9-21(24)22-10-3-6-13-25(22)29/h2-7,9-14,30H,8,15-20H2,1H3" . "COc1ccc(cc1)C1C2=C(OC(=C1C#N)N)CC(CC2=O)c1cccc2c1cccc2" . "COc1ccc(cc1)C1C2=C(OC(=C1C#N)N)CC(CC2=O)c1cccc2c1cccc2" . "YBMGNDPBARCLFT-UHFFFAOYSA-N" . "InChI=1S/C27H22N2O3/c1-31-19-11-9-17(10-12-19)25-22(15-28)27(29)32-24-14-18(13-23(30)26(24)25)21-8-4-6-16-5-2-3-7-20(16)21/h2-12,18,25H,13-14,29H2,1H3" . "COc1cc2c(cc1O[C])CCN1C2(C)CC(O)C(C1)CC(C)C" . "COc1cc2c(cc1O[11C])CCN1[C@@]2(C)C[C@H](O)[C@H](C1)CC(C)C" . "LCUNKBCUJJTZNQ-VEFADGFBSA-N" . "InChI=1S/C20H28NO3/c1-13(2)8-15-12-21-7-6-14-9-18(23-4)19(24-5)10-16(14)20(21,3)11-17(15)22/h9-10,13,15,17,22H,6-8,11-12H2,1-3,5H3/t15-,17-,20-/m0/s1/i4-1" . "COC(=O)c1ccccc1c1c2ccc(=[NH2+])cc2oc2c1ccc(c2)N" . "COC(=O)c1ccccc1c1c2ccc(=[NH2+])cc2oc2c1ccc(c2)N" . "FCGVBHISQBBIQF-UHFFFAOYSA-O" . "InChI=1S/C21H16N2O3/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20/h2-11,22H,23H2,1H3/p+1" . "COC(=O)C1C2CCC(N2C)CC1c1ccc(cc1)F" . "COC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1c1ccc(cc1)F" . "QUSLQENMLDRCTO-YJNKXOJESA-N" . "InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1" . "COC(=O)C1C2CCC(N2C)CC1c1ccc(cc1)F" . "COC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1c1ccc(cc1)F" . "QUSLQENMLDRCTO-YJNKXOJESA-N" . "InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1" . "CN1CCCCC1C(c1ccccc1)NC(=O)c1cccc(c1Cl)C(F)(F)F" . "CN1CCCC[C@H]1[C@H](c1ccccc1)NC(=O)c1cccc(c1Cl)C(F)(F)F" . "XPXKFXNVIAOBEI-HKUYNNGSSA-N" . "InChI=1S/C21H22ClF3N2O/c1-27-13-6-5-12-17(27)19(14-8-3-2-4-9-14)26-20(28)15-10-7-11-16(18(15)22)21(23,24)25/h2-4,7-11,17,19H,5-6,12-13H2,1H3,(H,26,28)/t17-,19-/m0/s1" . "CN1CCCCC1C(c1ccccc1)NC(=O)c1cccc(c1Cl)C(F)(F)F" . "CN1CCCC[C@H]1[C@H](c1ccccc1)NC(=O)c1cccc(c1Cl)C(F)(F)F" . "XPXKFXNVIAOBEI-HKUYNNGSSA-N" . "InChI=1S/C21H22ClF3N2O/c1-27-13-6-5-12-17(27)19(14-8-3-2-4-9-14)26-20(28)15-10-7-11-16(18(15)22)21(23,24)25/h2-4,7-11,17,19H,5-6,12-13H2,1H3,(H,26,28)/t17-,19-/m0/s1" . "CN(CC(=O)O)CCC(c1ccccc1)Oc1ccc(cc1)C(=O)c1ccc(cc1)C" . "CN(CC(=O)O)CC[C@H](c1ccccc1)Oc1ccc(cc1)C(=O)c1ccc(cc1)C" . "HNBKNDFZJLEZLZ-XMMPIXPASA-N" . "InChI=1S/C26H27NO4/c1-19-8-10-21(11-9-19)26(30)22-12-14-23(15-13-22)31-24(20-6-4-3-5-7-20)16-17-27(2)18-25(28)29/h3-15,24H,16-18H2,1-2H3,(H,28,29)/t24-/m1/s1" . "CN(CC(=O)O)CCC(c1ccccc1)Oc1ccc(cc1)C(=O)c1ccc(cc1)C" . "CN(CC(=O)O)CCC(c1ccccc1)Oc1ccc(cc1)C(=O)c1ccc(cc1)C" . "HNBKNDFZJLEZLZ-UHFFFAOYSA-N" . "InChI=1S/C26H27NO4/c1-19-8-10-21(11-9-19)26(30)22-12-14-23(15-13-22)31-24(20-6-4-3-5-7-20)16-17-27(2)18-25(28)29/h3-15,24H,16-18H2,1-2H3,(H,28,29)" . "OC(=O)CN(CCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F)C" . "OC(=O)CN(CC[C@H](c1ccccc1)Oc1ccc(cc1)C(F)(F)F)C" . "KZWQAWBTWNPFPW-QGZVFWFLSA-N" . "InChI=1S/C19H20F3NO3/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)26-16-9-7-15(8-10-16)19(20,21)22/h2-10,17H,11-13H2,1H3,(H,24,25)/t17-/m1/s1" . "CN(C(=O)CN)CC(=O)O" . "CN([14C](=O)CN)CC(=O)O" . "VYAMLSCELQQRAE-DOMIDYPGSA-N" . "InChI=1S/C5H10N2O3/c1-7(3-5(9)10)4(8)2-6/h2-3,6H2,1H3,(H,9,10)/i4+2" . "O=C(c1c(C)cccc1C)NC(C1(CCCC1)N(C)C)c1ccccc1" . "O=C(c1c(C)cccc1C)N[C@H](C1(CCCC1)N(C)C)c1ccccc1" . "BMXRRRIDMAIEKX-NRFANRHFSA-N" . "InChI=1S/C23H30N2O/c1-17-11-10-12-18(2)20(17)22(26)24-21(19-13-6-5-7-14-19)23(25(3)4)15-8-9-16-23/h5-7,10-14,21H,8-9,15-16H2,1-4H3,(H,24,26)/t21-/m0/s1" . "NC(=NCc1ccc(c(c1)Cl)Cl)NC(=O)c1nc(Cl)c(nc1N)N" . "N/C(=N/Cc1ccc(c(c1)Cl)Cl)/NC(=O)c1nc(Cl)c(nc1N)N" . "OSHKWEFWXCCNJR-UHFFFAOYSA-N" . "InChI=1S/C13H12Cl3N7O/c14-6-2-1-5(3-7(6)15)4-20-13(19)23-12(24)8-10(17)22-11(18)9(16)21-8/h1-3H,4H2,(H4,17,18,22)(H3,19,20,23,24)" . "CCCN(c1nc(N)c(nc1Cl)C(=O)N=C(N)N)C" . "CCCN(c1nc(N)c(nc1Cl)C(=O)N=C(N)N)C" . "HDJJAWCPAZTZIG-UHFFFAOYSA-N" . "InChI=1S/C10H16ClN7O/c1-3-4-18(2)8-6(11)15-5(7(12)16-8)9(19)17-10(13)14/h3-4H2,1-2H3,(H2,12,16)(H4,13,14,17,19)" . "CCOc1ccc(cc1)Cc1cc(ccc1Cl)C1OC(CO)C(C(C1O)O)O" . "CCOc1ccc(cc1)Cc1cc(ccc1Cl)[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O" . "JVHXJTBJCFBINQ-ADAARDCZSA-N" . "InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1" . "[O-]C=O" . "[O-]C=O" . "BDAGIHXWWSANSR-UHFFFAOYSA-M" . "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1" . "Clc1ccc(cc1)CNc1nc(N)c(nc1Cl)C(=O)N=CNNCc1ccc(cc1C)C" . "Clc1ccc(cc1)CNc1nc(N)c(nc1Cl)C(=O)/N=C/NNCc1ccc(cc1C)C" . "OTVLDNYCQTWHCT-UHFFFAOYSA-N" . "InChI=1S/C22H23Cl2N7O/c1-13-3-6-16(14(2)9-13)11-28-29-12-27-22(32)18-20(25)31-21(19(24)30-18)26-10-15-4-7-17(23)8-5-15/h3-9,12,28H,10-11H2,1-2H3,(H3,25,26,31)(H,27,29,32)" . "CC(Cc1ccc(cc1)Cl)N" . "CC(Cc1ccc(cc1)Cl)N" . "WWPITPSIWMXDPE-UHFFFAOYSA-N" . "InChI=1S/C9H12ClN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3" . "Clc1ccc(cc1)C1(O)c2ccccc2C2=NCCN12" . "Clc1ccc(cc1)C1(O)c2ccccc2C2=NCCN12" . "ZPXSCAKFGYXMGA-UHFFFAOYSA-N" . "InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2" . "O=C(Nc1c(Cl)cc(cc1Cl)N)CN1CCN(CC1C(=O)N)CCCCC(c1ccc(cc1)F)c1ccc(cc1)F" . "O=C(Nc1c(Cl)cc(cc1Cl)N)CN1CCN(CC1C(=O)N)CCCCC(c1ccc(cc1)F)c1ccc(cc1)F" . "IWMYIWLIESDFRZ-UHFFFAOYSA-N" . "InChI=1S/C30H33Cl2F2N5O2/c31-25-15-23(35)16-26(32)29(25)37-28(40)18-39-14-13-38(17-27(39)30(36)41)12-2-1-3-24(19-4-8-21(33)9-5-19)20-6-10-22(34)11-7-20/h4-11,15-16,24,27H,1-3,12-14,17-18,35H2,(H2,36,41)(H,37,40)" . "CCCCC1(Cc2c(C1=O)c(Cl)c(c(c2)OCC(=O)O)Cl)C1CCCC1" . "CCCCC1(Cc2c(C1=O)c(Cl)c(c(c2)OCC(=O)O)Cl)C1CCCC1" . "YAWWQIFONIPBKT-UHFFFAOYSA-N" . "InChI=1S/C20H24Cl2O4/c1-2-3-8-20(13-6-4-5-7-13)10-12-9-14(26-11-15(23)24)17(21)18(22)16(12)19(20)25/h9,13H,2-8,10-11H2,1H3,(H,23,24)" . "OCC1OC(Oc2n[nH]c(c2C(=O)Cc2ccc(cc2)OC(C)C)C(C)C)C(C(C1O)O)O" . "OC[C@H]1O[C@@H](Oc2n[nH]c(c2C(=O)Cc2ccc(cc2)OC(C)C)C(C)C)[C@@H]([C@H]([C@@H]1O)O)O" . "ZFTKJNMBOMHCDC-CKSGFJDPSA-N" . "InChI=1S/C23H32N2O8/c1-11(2)18-17(15(27)9-13-5-7-14(8-6-13)31-12(3)4)22(25-24-18)33-23-21(30)20(29)19(28)16(10-26)32-23/h5-8,11-12,16,19-21,23,26,28-30H,9-10H2,1-4H3,(H,24,25)/t16-,19-,20+,21-,23+/m1/s1" . "CCOC(=O)OCC1OC(Oc2ccccc2Cc2ccc(cc2)OC)C(C(C1O)O)O" . "CCOC(=O)OC[C@H]1O[C@@H](Oc2ccccc2Cc2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O)O)O" . "QLXKHBNJTPICNF-QMCAAQAGSA-N" . "InChI=1S/C23H28O9/c1-3-29-23(27)30-13-18-19(24)20(25)21(26)22(32-18)31-17-7-5-4-6-15(17)12-14-8-10-16(28-2)11-9-14/h4-11,18-22,24-26H,3,12-13H2,1-2H3/t18-,19-,20+,21-,22-/m1/s1" . "CCN1CC(O)C(C(C1CO)O)O" . "CCN1C[C@H](O)[C@H]([C@@H]([C@H]1CO)O)O" . "DAYOICKCVBMUPS-ULAWRXDQSA-N" . "InChI=1S/C8H17NO4/c1-2-9-3-6(11)8(13)7(12)5(9)4-10/h5-8,10-13H,2-4H2,1H3/t5-,6+,7-,8-/m1/s1" . "CCCCCCCC(=O)O" . "CCCCCCCC(=O)O" . "WWZKQHOCKIZLMA-UHFFFAOYSA-N" . "InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)" . "[O-]C(=O)C1[NH2+]CC(C1)C(=O)[O-]" . "[O-]C(=O)[C@H]1[NH2+]C[C@@H](C1)C(=O)[O-]" . "NRSBQSJHFYZIPH-DMTCNVIQSA-M" . "InChI=1S/C6H9NO4/c8-5(9)3-1-4(6(10)11)7-2-3/h3-4,7H,1-2H2,(H,8,9)(H,10,11)/p-1/t3-,4+/m1/s1" . "[O-][Tc](=O)(=O)=O" . "[O-][Tc](=O)(=O)=O" . "FXUHHSACBOWLSP-UHFFFAOYSA-N" . "InChI=1S/4O.Tc/q;;;-1;" . "CCCS(=O)(=O)N1CCC(CC1)(c1ccccc1)C(NC(=O)c1c(N)cccc1Cl)C" . "CCC[35S](=O)(=O)N1CCC(CC1)(c1ccccc1)[C@@H](NC(=O)c1c(N)cccc1Cl)C" . "CPNFHRRINJHHNO-BMHXGNRYSA-N" . "InChI=1S/C23H30ClN3O3S/c1-3-16-31(29,30)27-14-12-23(13-15-27,18-8-5-4-6-9-18)17(2)26-22(28)21-19(24)10-7-11-20(21)25/h4-11,17H,3,12-16,25H2,1-2H3,(H,26,28)/t17-/m0/s1/i31+3" . "Cc1ccsc1C(=CCCNC1CCCc2c1c(O)no2)c1sccc1C" . "Cc1ccsc1C(=CCCNC1CCCc2c1c(O)no2)c1sccc1C" . "TYXWOLAOXRISSO-UHFFFAOYSA-N" . "InChI=1S/C21H24N2O2S2/c1-13-8-11-26-19(13)15(20-14(2)9-12-27-20)5-4-10-22-16-6-3-7-17-18(16)21(24)23-25-17/h5,8-9,11-12,16,22H,3-4,6-7,10H2,1-2H3,(H,23,24)" . "OCC1OC(C(C1O)O)n1cnc2c1nc(N)[nH]c2=O" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N)[nH]c2=O" . "NYHBQMYGNKIUIF-UUOKFMHZSA-N" . "InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1" . "OCC1OC(c2ccc(c(c2)Cc2ccc(s2)c2ccc(cc2)F)C)C(C(C1O)O)O" . "OC[C@H]1O[C@@H](c2ccc(c(c2)Cc2ccc(s2)c2ccc(cc2)F)C)[C@@H]([C@H]([C@@H]1O)O)O" . "XTNGUQKDFGDXSJ-ZXGKGEBGSA-N" . "InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1" . "Cc1c[nH]c(=O)[nH]c1=O" . "Cc1c[nH]c(=O)[nH]c1=O" . "RWQNBRDOKXIBIV-UHFFFAOYSA-N" . "InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)" . "Cc1ncc(c(n1)N)C[n+]1csc(c1C)CCOP(=O)(O)O" . "Cc1ncc(c(n1)N)C[n+]1csc(c1C)CCOP(=O)(O)O" . "HZSAJDVWZRBGIF-UHFFFAOYSA-O" . "InChI=1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)/p+1" . "Fc1ccc(cc1)C1CCNCC1COc1ccc2c(c1)OCO2" . "Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1cc2OCOc2cc1[3H]" . "AHOUBRCZNHFOSL-RXMHWKDRSA-N" . "InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1/i5T" . "O=c1cc[nH]c(=O)[nH]1" . "O=c1cc[nH]c(=O)[nH]1" . "ISAKRJDGNUQOIC-UHFFFAOYSA-N" . "InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)" . "Cc1cc(ccc1NN=C1C=Cc2c(C1=O)c(N)c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])c1ccc(c(c1)C)NN=C1C=Cc2c(C1=O)c(N)c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]" . "Cc1cc(ccc1N/N=C/1/C=Cc2c(C1=O)c(N)c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])c1ccc(c(c1)C)N/N=C/1/C=Cc2c(C1=O)c(N)c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]" . "KBNIFDASRCWYGC-GXNXWABVSA-J" . "InChI=1S/C34H28N6O14S4.4Na/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42;;;;/h3-14,37-38H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-23+,40-24+;;;;" . "OC1C(COP(=O)(OP(=O)(OC2OC(C)C(C(C2O)O)O)O)O)OC(C1O)n1cnc2c1[nH]c(N)nc2=O" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(OC2O[C@@H](C)[C@H]([C@H]([C@@H]2O)O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(N)nc2=O" . "LQEBEXMHBLQMDB-QIXZNPMTSA-N" . "InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7+,8+,9+,10+,11-,14+,15?/m0/s1" . "C=CC1=C(C)C(=Cc2[nH]c(c(c2C)CCC(=O)O)Cc2[nH]c(c(c2CCC(=O)O)C)C=C2NC(=O)C(=C2C=C)C)NC1=O" . "C=CC1=C(C)/C(=C/c2[nH]c(c(c2C)CCC(=O)O)Cc2[nH]c(c(c2CCC(=O)O)C)/C=C/2/NC(=O)C(=C2C=C)C)/NC1=O" . "BPYKTIZUTYGOLE-IFADSCNNSA-N" . "InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-" . "Cc1ccc(cc1)C(=O)Nc1sc2c(n1)n(nc2C(=O)N1CCCC1CN1CCCC1)C(C)(C)C" . "Cc1ccc(cc1)C(=O)Nc1sc2c(n1)n(nc2C(=O)N1CCC[C@H]1CN1CCCC1)C(C)(C)C" . "GJBQMIZKUFMWPV-IBGZPJMESA-N" . "InChI=1S/C26H34N6O2S/c1-17-9-11-18(12-10-17)23(33)28-25-27-22-21(35-25)20(29-32(22)26(2,3)4)24(34)31-15-7-8-19(31)16-30-13-5-6-14-30/h9-12,19H,5-8,13-16H2,1-4H3,(H,27,28,33)/t19-/m0/s1" . "CC[N+](CC)(CC)CC" . "CC[N+](CC)(CC)CC" . "CBXCPBUEXACCNR-UHFFFAOYSA-N" . "InChI=1S/C8H20N/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3/q+1" . "CNC(Cc1ccc2c(c1)OCO2)C" . "CNC(Cc1ccc2c(c1)OCO2)C" . "SHXWCVYOXRDMCX-UHFFFAOYSA-N" . "InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3" . "OC(=O)CC(C(C(=O)O)N)C" . "OC(=O)CC(C(C(=O)O)N)C" . "FHJNAFIJPFGZRI-UHFFFAOYSA-N" . "InChI=1S/C6H11NO4/c1-3(2-4(8)9)5(7)6(10)11/h3,5H,2,7H2,1H3,(H,8,9)(H,10,11)" . "OCC1OC(OC2CC(C(=O)O)(C(=O)O)C3C(C2)(C)C2CCC4CC2(CC3)C(O)C4=C)C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OC(=O)CC(C)C" . "OC[C@H]1O[C@@H](O[C@@H]2CC(C(=O)O)(C(=O)O)[C@@H]3[C@](C2)(C)[C@@H]2CC[C@@H]4C[C@@]2(CC3)[C@@H](O)C4=C)[C@@H]([C@H]([C@@H]1OS(=O)(=O)O)OS(=O)(=O)O)OC(=O)CC(C)C" . "AQFATIOBERWBDY-LNQSNDDKSA-N" . "InChI=1S/C31H46O18S2/c1-14(2)9-21(33)47-24-23(49-51(42,43)44)22(48-50(39,40)41)18(13-32)46-26(24)45-17-11-29(4)19-6-5-16-10-30(19,25(34)15(16)3)8-7-20(29)31(12-17,27(35)36)28(37)38/h14,16-20,22-26,32,34H,3,5-13H2,1-2,4H3,(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44)/t16-,17+,18-,19+,20+,22-,23+,24-,25+,26-,29+,30-/m1/s1" . "[O-]C(=O)CC1C(CNC1C(=O)[O-])C(C)C" . "[O-]C(=O)C[C@H]1[C@H](CN[C@@H]1C(=O)[O-])C(C)C" . "JQPDCKOQOOQUSC-OOZYFLPDSA-L" . "InChI=1S/C10H17NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h5-7,9,11H,3-4H2,1-2H3,(H,12,13)(H,14,15)/p-2/t6-,7+,9-/m0/s1" . "COC1C=COC2(C)Oc3c(C2=O)c2c(O)cc(c(c2c(c3C)O)O)NC(=O)C(=CC=CC(C(C(C(C(C(C1C)OC(=O)C)C)O)C)O)C)C" . "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2c(O)cc(c(c2c(c3C)O)O)NC(=O)/C(=C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)/C" . "HJYYPODYNSCCOU-ODRIEIDWSA-N" . "InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1" . "CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2" . "CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2" . "QTANTQQOYSUMLC-UHFFFAOYSA-O" . "InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1" . "C[n+]1ccc(cc1)c1ccccc1" . "C[n+]1ccc(cc1)c1ccccc1" . "FMGYKKMPNATWHP-UHFFFAOYSA-N" . "InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1" . "OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N" . "OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N" . "OVBPIULPVIDEAO-LBPRGKRZSA-N" . "InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1" . "OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N" . "OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N" . "OVBPIULPVIDEAO-LBPRGKRZSA-N" . "InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1" . "c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1" . "c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1" . "USFPINLPPFWTJW-UHFFFAOYSA-N" . "InChI=1S/C24H20P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1" . "O=c1[nH]c(=O)c2c([nH]1)nc[nH]2" . "O=c1[nH]c(=O)c2c([nH]1)nc[nH]2" . "LRFVTYWOQMYALW-UHFFFAOYSA-N" . "InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)" . "Nc1[nH]c(=O)c2c(n1)[nH]cn2" . "Nc1[nH]c(=O)c2c(n1)[nH]cn2" . "UYTPUPDQBNUYGX-UHFFFAOYSA-N" . "InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)" . "O=c1nc[nH]c2c1[nH]cn2" . "O=c1nc[nH]c2c1[nH]cn2" . "FDGQSTZJBFJUBT-UHFFFAOYSA-N" . "InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)" . "OCC1OC(C(C1O)O)n1cnc2c1[nH]cnc2=O" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]cnc2=O" . "UGQMRVRMYYASKQ-KQYNXXCUSA-N" . "InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1" . "NC(=O)C=C" . "NC(=O)C=C" . "HRPVXLWXLXDGHG-UHFFFAOYSA-N" . "InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)" . "C[n+]1ccc(cc1)c1cc[n+](cc1)C.[Cl-].[Cl-]" . "C[n+]1ccc(cc1)c1cc[n+](cc1)C.[Cl-].[Cl-]" . "FIKAKWIAUPDISJ-UHFFFAOYSA-L" . "InChI=1S/C12H14N2.2ClH/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;/h3-10H,1-2H3;2*1H/q+2;;/p-2" . "OCC[N+](C)(C)C" . "OCC[N+](C)(C)C" . "OEYIOHPDSNJKLS-UHFFFAOYSA-N" . "InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1" . "[O-]C(=O)C[N+](C)(C)C" . "[O-]C(=O)C[N+](C)(C)C" . "KWIUHFFTVRNATP-UHFFFAOYSA-N" . "InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3" . "OC1CCC2(C(C1)CCC1C2CCC2(C1CCC2C(CCC(=O)NCCS(=O)(=O)O)C)C)C" . "O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCCS(=O)(=O)O)C)C)C" . "QBYUNVOYXHFVKC-GBURMNQMSA-N" . "InChI=1S/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1" . "OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)NCCS(=O)(=O)O)C)C)O)C" . "O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCCS(=O)(=O)O)C)C)O)C" . "WBWWGRHZICKQGZ-HZAMXZRMSA-N" . "InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1" . "FC(c1ccccc1n1cncc1)(F)F" . "FC(c1ccccc1n1cncc1)(F)F" . "WZBWBNCQUTXYEL-UHFFFAOYSA-N" . "InChI=1S/C10H7F3N2/c11-10(12,13)8-3-1-2-4-9(8)15-6-5-14-7-15/h1-7H" . "OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)NCCS(=O)(=O)O)C)C)O)C" . "O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCCS(=O)(=O)O)C)C)O)C" . "WBWWGRHZICKQGZ-HZAMXZRMSA-N" . "InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1" . "OC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(=O)NCC(=O)O)C)C)O)C" . "O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCC(=O)O)C)C)O)C" . "GHCZAUBVMUEKKP-GYPHWSFCSA-N" . "InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1" . "O=C(N1CCNC(C1C(=O)O)C(=O)O)c1ccc2c(c1)c1ccccc1cc2" . "O=C(N1CCN[C@@H]([C@@H]1C(=O)O)C(=O)O)c1ccc2c(c1)c1ccccc1cc2" . "VVUAQPXBYDYTDF-ZWKOTPCHSA-N" . "InChI=1S/C21H18N2O5/c24-19(23-10-9-22-17(20(25)26)18(23)21(27)28)14-8-7-13-6-5-12-3-1-2-4-15(12)16(13)11-14/h1-8,11,17-18,22H,9-10H2,(H,25,26)(H,27,28)/t17-,18+/m0/s1" . "OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)NCC(=O)O)C)C)O)C" . "O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCC(=O)O)C)C)O)C" . "RFDAIACWWDREDC-FRVQLJSFSA-N" . "InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1" . "CC(C(=O)O)N" . "C[C@@H](C(=O)O)N" . "QNAYBMKLOCPYGJ-REOHCLBHSA-N" . "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1" . "CC(C(=O)O)N" . "C[C@@H](C(=O)O)N" . "QNAYBMKLOCPYGJ-REOHCLBHSA-N" . "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1" . "O=C(NCCSC(=O)C)CCNC(=O)C(C(COP(=O)(OP(=O)(OCC1OC(C(C1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O" . "O=C(NCCS[14C](=O)C)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O" . "ZSLZBFCDCINBPY-YHBLMJDYSA-N" . "InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1/i12+2" . "O=C(CC(C(=O)O)N)Nc1ccc(cc1)Oc1cc(F)c(cc1Br)F" . "O=C(C[C@@H](C(=O)O)N)Nc1ccc(cc1)Oc1cc(F)c(cc1Br)F" . "BNYDDAAZMBUFRG-ZDUSSCGKSA-N" . "InChI=1S/C16H13BrF2N2O4/c17-10-5-11(18)12(19)6-14(10)25-9-3-1-8(2-4-9)21-15(22)7-13(20)16(23)24/h1-6,13H,7,20H2,(H,21,22)(H,23,24)/t13-/m0/s1" . "Brc1cc(c(c(c1O)Br)C)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1C)Br)O" . "Brc1cc(c(c(c1O)Br)C)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1C)Br)O" . "FRPHFZCDPYBUAU-UHFFFAOYSA-N" . "InChI=1S/C21H14Br4O5S/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21/h3-8,26-27H,1-2H3" . "O=C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OS(=O)(=O)[O-]" . "O=C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OS(=O)(=O)[O-]" . "CZWCKYRVOZZJNM-USOAJAOKSA-M" . "InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/p-1/t13-,14-,15-,16-,18-,19-/m0/s1" . "[O-]C(=O)CC(=O)C" . "[O-]C(=O)CC(=O)C" . "WDJHALXBUFZDSR-UHFFFAOYSA-M" . "InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)/p-1" . "O=C1SCC(N1)C(=O)[O-]" . "O=C1SCC(N1)C(=O)[O-]" . "BMLMGCPTLHPWPY-UHFFFAOYSA-M" . "InChI=1S/C4H5NO3S/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/p-1" . "OCC1OC(C(C1O)O)n1cnc2c1nc(N)n(c2=O)SCc1ccccc1[N+](=O)[O-]" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N)n(c2=O)SCc1ccccc1[N+](=O)[O-]" . "URJSEQDFTMBNCG-XNIJJKJLSA-N" . "InChI=1S/C17H18N6O7S/c18-17-20-14-11(19-7-21(14)16-13(26)12(25)10(5-24)30-16)15(27)22(17)31-6-8-3-1-2-4-9(8)23(28)29/h1-4,7,10,12-13,16,24-26H,5-6H2,(H2,18,20)/t10-,12-,13-,16-/m1/s1" . "OCC1OC(C(C1O)O)(SCc1ccccc1[N+](=O)[O-])n1cnc2c1ncnc2O" . "OC[C@H]1O[C@@]([C@@H]([C@@H]1O)O)(SCc1ccccc1[N+](=O)[O-])n1cnc2c1ncnc2O" . "NVQXRTPYOZKYMZ-GDLHICMESA-N" . "InChI=1S/C17H17N5O7S/c23-5-11-13(24)14(25)17(29-11,21-8-20-12-15(21)18-7-19-16(12)26)30-6-9-3-1-2-4-10(9)22(27)28/h1-4,7-8,11,13-14,23-25H,5-6H2,(H,18,19,26)/t11-,13-,14-,17+/m1/s1" . "OCC1OC(C(C1O)O)(SCc1ccccc1[N+](=O)[O-])n1cnc2c1ncnc2O" . "OC[C@H]1O[C@@]([C@@H]([C@@H]1O)O)(SCc1ccccc1[N+](=O)[O-])n1cnc2c1ncnc2O" . "NVQXRTPYOZKYMZ-GDLHICMESA-N" . "InChI=1S/C17H17N5O7S/c23-5-11-13(24)14(25)17(29-11,21-8-20-12-15(21)18-7-19-16(12)26)30-6-9-3-1-2-4-10(9)22(27)28/h1-4,7-8,11,13-14,23-25H,5-6H2,(H,18,19,26)/t11-,13-,14-,17+/m1/s1" . "[O-]C(=O)[O-].[NH4+].[NH4+]" . "[O-]C(=O)[O-].[NH4+].[NH4+]" . "PRKQVKDSMLBJBJ-UHFFFAOYSA-N" . "InChI=1S/CH2O3.2H3N/c2-1(3)4;;/h(H2,2,3,4);2*1H3" . "O=C(Nc1ccc(cc1)[N+](=O)[O-])CCC(C(=O)[O-])[NH3+]" . "O=C(Nc1ccc(cc1)[N+](=O)[O-])CC[C@@H](C(=O)[O-])[NH3+]" . "WMZTYIRRBCGARG-VIFPVBQESA-N" . "InChI=1S/C11H13N3O5/c12-9(11(16)17)5-6-10(15)13-7-1-3-8(4-2-7)14(18)19/h1-4,9H,5-6,12H2,(H,13,15)(H,16,17)/t9-/m0/s1" . "Brc1c(Br)c(Br)c2c(c1Br)C(=O)OC2(c1ccc(c(c1)S(=O)(=O)[O-])O)c1ccc(c(c1)S(=O)(=O)[O-])O.[Na+].[Na+]" . "Brc1c(Br)c(Br)c2c(c1Br)C(=O)OC2(c1ccc(c(c1)S(=O)(=O)[O-])O)c1ccc(c(c1)S(=O)(=O)[O-])O.[Na+].[Na+]" . "GHAFORRTMVIXHS-UHFFFAOYSA-L" . "InChI=1S/C20H10Br4O10S2.2Na/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33;;/h1-6,25-26H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2" . "Brc1c(Br)c(Br)c2c(c1Br)C(=O)OC2(c1ccc(c(c1)S(=O)(=O)[O-])O)c1ccc(c(c1)S(=O)(=O)[O-])O.[Na+].[Na+]" . "Brc1c(Br)c(Br)c2c(c1Br)C(=O)OC2(c1ccc(c(c1)S(=O)(=O)[O-])O)c1ccc(c(c1)S(=O)(=O)[O-])O.[Na+].[Na+]" . "GHAFORRTMVIXHS-UHFFFAOYSA-L" . "InChI=1S/C20H10Br4O10S2.2Na/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33;;/h1-6,25-26H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2" . "CN(C(=N)N=C(N)N)C" . "CN(C(=N)N=C(N)N)C" . "XZWYZXLIPXDOLR-UHFFFAOYSA-N" . "InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)" . "NC(C(=O)O)CSCc1ccccc1" . "N[C@H](C(=O)O)CSCc1ccccc1" . "GHBAYRBVXCRIHT-VIFPVBQESA-N" . "InChI=1S/C10H13NO2S/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1" . "NC(C(=O)O)COCc1ccccc1" . "N[C@H](C(=O)O)COCc1ccccc1" . "IDGQXGPQOGUGIX-VIFPVBQESA-N" . "InChI=1S/C10H13NO3/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1" . "O=C(OCc1ccc(cc1)[N+](=O)[O-])NCCCCC(C(=O)[O-])NC(=O)C(CCCCNC(=O)Oc1ccc(cc1)[N+](=O)[O-])[NH3+]" . "O=C(OCc1ccc(cc1)[N+](=O)[O-])NCCCCC(C(=O)[O-])NC(=O)C(CCCCNC(=O)Oc1ccc(cc1)[N+](=O)[O-])[NH3+]" . "AJUWOKKXEQNXLT-UHFFFAOYSA-N" . "InChI=1S/C27H34N6O11/c28-22(5-1-3-16-30-27(38)44-21-13-11-20(12-14-21)33(41)42)24(34)31-23(25(35)36)6-2-4-15-29-26(37)43-17-18-7-9-19(10-8-18)32(39)40/h7-14,22-23H,1-6,15-17,28H2,(H,29,37)(H,30,38)(H,31,34)(H,35,36)" . "O=C(Oc1ccc(cc1)[N+](=O)[O-])NCCCCC(C(=O)N1CCCC1C(=O)O)N" . "O=C(Oc1ccc(cc1)[N+](=O)[O-])NCCCCC(C(=O)N1CCC[C@H]1C(=O)O)N" . "XECWFUGQRJPWRP-LOACHALJSA-N" . "InChI=1S/C18H24N4O7/c19-14(16(23)21-11-3-5-15(21)17(24)25)4-1-2-10-20-18(26)29-13-8-6-12(7-9-13)22(27)28/h6-9,14-15H,1-5,10-11,19H2,(H,20,26)(H,24,25)/t14?,15-/m0/s1" . "OC(=O)C(C(C(=O)O)N)O" . "OC(=O)[C@H]([C@@H](C(=O)O)N)O" . "YYLQUHNPNCGKJQ-LWMBPPNESA-N" . "InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2-/m0/s1" . "OC1(OCC[N+](C1)(C)C)c1ccc(cc1)c1ccc(cc1)C1(O)OCC[N+](C1)(C)C" . "OC1(OCC[N+](C1)(C)C)c1ccc(cc1)c1ccc(cc1)C1(O)OCC[N+](C1)(C)C" . "JIWUESGGKYLPPG-UHFFFAOYSA-N" . "InChI=1S/C24H34N2O4/c1-25(2)13-15-29-23(27,17-25)21-9-5-19(6-10-21)20-7-11-22(12-8-20)24(28)18-26(3,4)14-16-30-24/h5-12,27-28H,13-18H2,1-4H3/q+2" . "OC1(OCC[N+](C1)(C)C)c1ccc(cc1)c1ccc(cc1)C1(O)OCC[N+](C1)(C)C.[Br-].[Br-]" . "OC1(OCC[N+](C1)(C)C)c1ccc(cc1)c1ccc(cc1)C1(O)OCC[N+](C1)(C)C.[Br-].[Br-]" . "OPYKHUMNFAMIBL-UHFFFAOYSA-L" . "InChI=1S/C24H34N2O4.2BrH/c1-25(2)13-15-29-23(27,17-25)21-9-5-19(6-10-21)20-7-11-22(12-8-20)24(28)18-26(3,4)14-16-30-24;;/h5-12,27-28H,13-18H2,1-4H3;2*1H/q+2;;/p-2" . "CCCCCCCCC=CCCCCCCCC(=O)O" . "CCCCCCCC/C=C/CCCCCCCC(=O)O" . "ZQPPMHVWECSIRJ-KTKRTIGZSA-N" . "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-" . "CCc1ccc(cc1)C(=O)Nc1cccc(c1)COC(C(C(=O)O)N)C(=O)O" . "C([3H])C(c1ccc(cc1)C(=O)Nc1cccc(c1)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O)[3H]" . "GFSLJGCKUUCABJ-YQFXYRMXSA-N" . "InChI=1S/C20H22N2O6/c1-2-12-6-8-14(9-7-12)18(23)22-15-5-3-4-13(10-15)11-28-17(20(26)27)16(21)19(24)25/h3-10,16-17H,2,11,21H2,1H3,(H,22,23)(H,24,25)(H,26,27)/t16-,17-/m0/s1/i1T,2T/t2?,16-,17-" . "OC(CN1C(C)CCCC1C)CNS(=O)(=O)c1cccc2c1cccc2" . "O[C@@H](CN1[C@H](C)CCC[C@@H]1C)CNS(=O)(=O)c1ccc(c2c1cccc2)[3H]" . "GJXFPIGLCXZHTN-LDHSEPLKSA-N" . "InChI=1S/C20H28N2O3S/c1-15-7-5-8-16(2)22(15)14-18(23)13-21-26(24,25)20-12-6-10-17-9-3-4-11-19(17)20/h3-4,6,9-12,15-16,18,21,23H,5,7-8,13-14H2,1-2H3/t15-,16+,18-/m1/s1/i10T" . "O=C(c1c(C)cccc1C)NC(C1(CCCC1)N(C)C)c1ccccc1" . "O=C(c1c(C)cccc1C)N[C@H](C1(CCCC1)N(C([3H])([3H])[3H])C)c1ccccc1" . "BMXRRRIDMAIEKX-IUNCQSRSSA-N" . "InChI=1S/C23H30N2O/c1-17-11-10-12-18(2)20(17)22(26)24-21(19-13-6-5-7-14-19)23(25(3)4)15-8-9-16-23/h5-7,10-14,21H,8-9,15-16H2,1-4H3,(H,24,26)/t21-/m0/s1/i3T3" . "CN(C(=O)CN)CC(=O)O" . "[11CH3]N(C(=O)CN)CC(=O)O" . "VYAMLSCELQQRAE-BJUDXGSMSA-N" . "InChI=1S/C5H10N2O3/c1-7(3-5(9)10)4(8)2-6/h2-3,6H2,1H3,(H,9,10)/i1-1" . "COC(=O)C1=C(C)NC(=C(C1c1cccc2c1non2)C(=O)OC(C)C)C" . "COC(=O)C1=C(C)NC(=C(C1c1cccc2c1non2)C(=O)OC(C)C)C" . "HMJIYCCIJYRONP-UHFFFAOYSA-N" . "InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,20H,1-5H3" . "OC1C(O)C(OC1N1C=CCC(=C1)C(=O)N)COP(=O)(OP(=O)(OCC1OC(C(C1O)O)n1cnc2c1ncnc2N)O)O" . "O[C@@H]1[C@H](O)[C@H](O[C@H]1N1C=CCC(=C1)C(=O)N)COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O" . "BOPGDPNILDQYTO-NNYOXOHSSA-N" . "InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1" . "CCCCCC(C=CC1OC(=O)CC(C1CC=CCCCC(=O)O)O)O" . "CCCCC[C@@H](/C=C/[C@H]1OC(=O)C[C@@H]([C@@H]1C/C=C/CCCC(=O)O)O)O" . "KJYIVXDPWBUJBQ-UHHGALCXSA-N" . "InChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16-,17-,18+/m0/s1" . "CCCCCC(C=CC1C2OOC(C1CC=CCCCC(=O)O)C2)O" . "CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OO[C@H]([C@@H]1C/C=C/CCCC(=O)O)C2)O" . "YIBNHAJFJUQSRA-YNNPMVKQSA-N" . "InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h4,7,12-13,15-19,21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1" . "CCCCCC(C=CC1OC2CC(C1CC=CCCCC(=O)O)O2)O" . "CCCCC[C@@H](/C=C/[C@H]1O[C@H]2C[C@@H]([C@@H]1C/C=C/CCCC(=O)O)O2)O" . "DSNBHJFQCNUKMA-SCKDECHMSA-N" . "InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-20(24-17)25-18)10-7-4-5-8-11-19(22)23/h4,7,12-13,15-18,20-21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,20+/m0/s1" . "Fc1ccc(cc1)c1sc(nc1C(=O)N1CCCCC1CNC(=O)c1cccc2c1cco2)C" . "Fc1ccc(cc1)c1sc(nc1C(=O)N1CCCC[C@H]1CNC(=O)c1cccc2c1cco2)C" . "ZJXIUGNEAIHSBI-IBGZPJMESA-N" . "InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-8-10-18(27)11-9-17)26(32)30-13-3-2-5-19(30)15-28-25(31)21-6-4-7-22-20(21)12-14-33-22/h4,6-12,14,19H,2-3,5,13,15H2,1H3,(H,28,31)/t19-/m0/s1" . "Cc1ccc(c(c1)C(=O)N1CC(CCC1C)COc1ccc(cn1)F)c1ncccn1" . "Cc1ccc(c(c1)C(=O)N1C[C@@H](CC[C@H]1C)COc1ccc(cn1)F)c1ncccn1" . "NPFDWHQSDBWQLH-QZTJIDSGSA-N" . "InChI=1S/C24H25FN4O2/c1-16-4-8-20(23-26-10-3-11-27-23)21(12-16)24(30)29-14-18(6-5-17(29)2)15-31-22-9-7-19(25)13-28-22/h3-4,7-13,17-18H,5-6,14-15H2,1-2H3/t17-,18-/m1/s1" . "CNCC(c1ccc(c(c1)O)O)O" . "CNC[C@H](c1ccc(c(c1)O)O)O" . "UCTWMZQNUQWSLP-SECBINFHSA-N" . "InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m1/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccccc1)CC(=O)N)Cc1nc[nH]c1)C(C)C)CC(=O)O)CCC(=O)N)CC(C)C)CCCCN)CCCCN)CCCN=C(N)N)CC(C)C)Cc1c[nH]c2c1cccc2)CCC(=O)N)CCSC)CCCN=C(N)N)CCC(=O)O)C(C)C)CO)C)CC(C)C)Cc1nc[nH]c1)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(N)C)CO)CCC(=O)O)CCC(=O)N)CC(C)C)CCSC)Cc1nc[nH]c1)CC(=O)N)CC(C)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)C(C)C" . "QSJWQIQDNBBZSH-NEAXTQLLSA-N" . "InChI=1S/C180H291N55O48S2/c1-23-96(18)145(235-160(264)115(50-55-140(246)247)212-172(276)131(83-236)231-176(280)142(93(12)13)232-146(250)97(19)184)177(281)216-113(48-53-135(187)240)157(261)219-121(68-91(8)9)164(268)214-117(57-64-285-22)159(263)224-125(73-102-80-195-86-202-102)167(271)225-127(75-136(188)241)169(273)217-118(65-88(2)3)148(252)200-82-138(243)205-106(41-29-32-58-181)149(253)223-124(72-101-79-194-85-201-101)166(270)220-119(66-89(4)5)161(265)204-98(20)147(251)230-132(84-237)173(277)234-143(94(14)15)174(278)215-114(49-54-139(244)245)154(258)208-109(44-35-61-197-179(190)191)152(256)213-116(56-63-284-21)158(262)210-111(46-51-133(185)238)155(259)222-123(71-100-78-199-105-40-28-27-39-104(100)105)165(269)221-122(69-92(10)11)162(266)209-110(45-36-62-198-180(192)193)151(255)206-107(42-30-33-59-182)150(254)207-108(43-31-34-60-183)153(257)218-120(67-90(6)7)163(267)211-112(47-52-134(186)239)156(260)227-129(77-141(248)249)171(275)233-144(95(16)17)175(279)228-126(74-103-81-196-87-203-103)168(272)226-128(76-137(189)242)170(274)229-130(178(282)283)70-99-37-25-24-26-38-99/h24-28,37-40,78-81,85-98,106-132,142-145,199,236-237H,23,29-36,41-77,82-84,181-184H2,1-22H3,(H2,185,238)(H2,186,239)(H2,187,240)(H2,188,241)(H2,189,242)(H,194,201)(H,195,202)(H,196,203)(H,200,252)(H,204,265)(H,205,243)(H,206,255)(H,207,254)(H,208,258)(H,209,266)(H,210,262)(H,211,267)(H,212,276)(H,213,256)(H,214,268)(H,215,278)(H,216,281)(H,217,273)(H,218,257)(H,219,261)(H,220,270)(H,221,269)(H,222,259)(H,223,253)(H,224,263)(H,225,271)(H,226,272)(H,227,260)(H,228,279)(H,229,274)(H,230,251)(H,231,280)(H,232,250)(H,233,275)(H,234,277)(H,235,264)(H,244,245)(H,246,247)(H,248,249)(H,282,283)(H4,190,191,197)(H4,192,193,198)/t96-,97-,98-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,142-,143-,144-,145-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccccc1)CC(=O)N)Cc1nc[nH]c1)C(C)C)CC(=O)O)CCC(=O)N)CC(C)C)CCCCN)CCCCN)CCCN=C(N)N)CC(C)C)Cc1c[nH]c2c1cccc2)CCC(=O)O)C(C)C)CCCN=C(N)N)CCC(=O)O)CCSC)CO)CC(=O)N)CC(C)C)Cc1nc[nH]c1)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(CO)N)CO)CCC(=O)O)CCC(=O)N)CC(C)C)CCSC)Cc1nc[nH]c1)CC(=O)N)CC(C)C" . "CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)C(C)C" . "OGBMKVWORPGQRR-UMXFMPSGSA-N" . "InChI=1S/C181H291N55O51S2/c1-21-96(18)146(236-160(267)114(48-53-141(250)251)212-174(281)132(84-239)232-177(284)143(93(12)13)233-147(254)103(185)82-237)178(285)216-111(45-50-134(187)241)155(262)219-119(65-90(6)7)163(270)213-116(55-62-289-20)158(265)224-124(71-100-79-196-86-203-100)167(274)226-126(73-135(188)242)169(276)217-117(63-88(2)3)148(255)201-81-138(245)205-105(39-27-30-56-182)149(256)223-123(70-99-78-195-85-202-99)166(273)221-121(67-92(10)11)164(271)225-128(75-137(190)244)171(278)231-131(83-238)173(280)214-115(54-61-288-19)157(264)210-112(46-51-139(246)247)153(260)208-109(43-34-60-199-181(193)194)159(266)234-144(94(14)15)175(282)215-113(47-52-140(248)249)156(263)222-122(69-98-77-200-104-38-26-25-37-102(98)104)165(272)220-120(66-91(8)9)161(268)209-108(42-33-59-198-180(191)192)151(258)206-106(40-28-31-57-183)150(257)207-107(41-29-32-58-184)152(259)218-118(64-89(4)5)162(269)211-110(44-49-133(186)240)154(261)228-129(76-142(252)253)172(279)235-145(95(16)17)176(283)229-125(72-101-80-197-87-204-101)168(275)227-127(74-136(189)243)170(277)230-130(179(286)287)68-97-35-23-22-24-36-97/h22-26,35-38,77-80,85-96,103,105-132,143-146,200,237-239H,21,27-34,39-76,81-84,182-185H2,1-20H3,(H2,186,240)(H2,187,241)(H2,188,242)(H2,189,243)(H2,190,244)(H,195,202)(H,196,203)(H,197,204)(H,201,255)(H,205,245)(H,206,258)(H,207,257)(H,208,260)(H,209,268)(H,210,264)(H,211,269)(H,212,281)(H,213,270)(H,214,280)(H,215,282)(H,216,285)(H,217,276)(H,218,259)(H,219,262)(H,220,272)(H,221,273)(H,222,263)(H,223,256)(H,224,265)(H,225,271)(H,226,274)(H,227,275)(H,228,261)(H,229,283)(H,230,277)(H,231,278)(H,232,284)(H,233,254)(H,234,266)(H,235,279)(H,236,267)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,286,287)(H4,191,192,198)(H4,193,194,199)/t96-,103-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,143-,144-,145-,146-/m0/s1" . "CC(CCCC(C1CCC2C1(C)CCC1C2C(O)C=C2C1(C)CCC(C2)O)C)C" . "CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2[C@@H](O)C=C2[C@]1(C)CC[C@@H](C2)O)C)C" . "OYXZMSRRJOYLLO-KGZHIOMZSA-N" . "InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1" . "CC(CCCC(C1CCC2C1(C)CCC1C2C(O)C=C2C1(C)CCC(C2)O)C)C" . "CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2[C@H](O)C=C2[C@]1(C)CC[C@@H](C2)O)C)C" . "OYXZMSRRJOYLLO-RVOWOUOISA-N" . "InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1" . "SCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CS)C(C)C)CCCN=C(N)N)C(C)C)CC(C)C)C)CCCN=C(N)N)C(C)C)Cc1ccccc1)Cc1c[nH]cn1)Cc1c[nH]cn1)N " . "CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)C(C)C)C(C)C" . "RSEFVJQOZGIWEG-VBMLHUJMSA-N" . "InChI=1S/C65H105N23O14S2/c1-32(2)21-43(58(96)87-49(33(3)4)61(99)81-42(18-14-20-74-65(69)70)55(93)86-51(35(7)8)62(100)85-47(29-104)63(101)102)82-52(90)36(9)78-54(92)41(17-13-19-73-64(67)68)80-60(98)50(34(5)6)88-59(97)44(22-37-15-11-10-12-16-37)83-57(95)46(24-39-26-72-31-77-39)84-56(94)45(23-38-25-71-30-76-38)79-48(89)27-75-53(91)40(66)28-103/h10-12,15-16,25-26,30-36,40-47,49-51,103-104H,13-14,17-24,27-29,66H2,1-9H3,(H,71,76)(H,72,77)(H,75,91)(H,78,92)(H,79,89)(H,80,98)(H,81,99)(H,82,90)(H,83,95)(H,84,94)(H,85,100)(H,86,93)(H,87,96)(H,88,97)(H,101,102)(H4,67,68,73)(H4,69,70,74)/t36-,40-,41-,42-,43-,44-,45-,46-,47-,49-,50-,51-/m0/s1" . "CC(C12COP(=S)(OC1)OC2)(C)C" . "CC(C12COP(=[35S])(OC1)OC2)(C)C" . "VTBHBNXGFPTBJL-DLSVHHIMSA-N" . "InChI=1S/C8H15O3PS/c1-7(2,3)8-4-9-12(13,10-5-8)11-6-8/h4-6H2,1-3H3/i13+3" . "FCCN1Cc2c(ncn2c2c(C1=O)cc(F)cc2)C(=O)OCC" . "[18F]CCN1Cc2c(ncn2c2c(C1=O)cc(F)cc2)C(=O)OCC" . "NRBIGDVWCXXFLI-SJPDSGJFSA-N" . "InChI=1S/C16H15F2N3O3/c1-2-24-16(23)14-13-8-20(6-5-17)15(22)11-7-10(18)3-4-12(11)21(13)9-19-14/h3-4,7,9H,2,5-6,8H2,1H3/i17-1" . "CCOC(=O)c1ncn2c1CN(C)C(=O)c1c2ccc(c1)F" . "CCOC(=O)c1ncn2c1CN(C)C(=O)c1c2ccc(c1)F" . "OFBIFZUFASYYRE-UHFFFAOYSA-N" . "InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3" . "O=c1n([nH]c2c1cnc1c2cccc1)c1ccccc1" . "O=c1n([nH]c2c1cnc1c2cccc1)c1ccccc1" . "XTYGFVVANLMBHE-UHFFFAOYSA-N" . "InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,18H" . "CCOC(=O)c1ncn2c1CN(C)C(=O)c1c2ccc(c1)N=[N+]=[N-]" . "CCOC(=O)c1ncn2c1CN(C)C(=O)c1c2ccc(c1)N=[N+]=[N-]" . "CFSOJZTUTOQNIA-UHFFFAOYSA-N" . "InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3" . "CCOC(=O)c1ncn2c1CN(C)C(=O)c1c2ccc(c1)C#C" . "CCOC(=O)c1ncn2c1CN(C)C(=O)c1c2ccc(c1)C#C" . "WDTNKNNGHGOKBH-UHFFFAOYSA-N" . "InChI=1S/C17H15N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h1,6-8,10H,5,9H2,2-3H3" . "CCOC(=O)c1ncn2c1C1CCCN1C(=O)c1c2ccc(c1)OC" . "CCOC(=O)c1ncn2c1C1CCCN1C(=O)c1c2ccc(c1)OC" . "YKYOQIXTECBVBB-UHFFFAOYSA-N" . "InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3" . "Cc1ccc(cc1)c1nc2n(c1CC(=O)N(C)C)cc(cc2)C" . "Cc1ccc(cc1)c1nc2n(c1CC(=O)N(C)C)cc(cc2)C" . "ZAFYATHCZYHLPB-UHFFFAOYSA-N" . "InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3" . "CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F" . "CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F" . "PPTYJKAXVCCBDU-UHFFFAOYSA-N" . "InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3" . "CCCN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC" . "CCCN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC" . "DBABZHXKTCFAPX-UHFFFAOYSA-N" . "InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)" . "CCC=CCC(C=CC=CC=CC=CC(C(CC=CCCC(=O)O)O)O)O" . "CC/C=C/C[C@@H](/C=C/C=C/C=C/C=C/[C@@H]([C@H](C/C=C/CCC(=O)O)O)O)O" . "OIWTWACQMDFHJG-LDOXQWQISA-N" . "InChI=1S/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,20-,21-/m0/s1" . "CC(NCCN(S(=O)(=O)c1ccc(cc1Cl)Cl)C(C)C)C" . "CC(NCCN(S(=O)(=O)c1ccc(cc1Cl)Cl)C(C)C)C" . "IHYZMEAZAIFMTN-UHFFFAOYSA-N" . "InChI=1S/C14H22Cl2N2O2S/c1-10(2)17-7-8-18(11(3)4)21(19,20)14-6-5-12(15)9-13(14)16/h5-6,9-11,17H,7-8H2,1-4H3" . "OC1CCC2(C(=CC(C3C2CCC2(C3CCC2C(CCCC(O)(C)C)C)C)O)C1)C" . "O[C@H]1CC[C@]2(C(=C[C@@H]([C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(O)(C)C)C)C)O)C1)C" . "BQMSKLCEWBSPPY-CGSQRZAOSA-N" . "InChI=1S/C27H46O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-24,28-30H,6-15H2,1-5H3/t17-,19+,20-,21+,22+,23+,24+,26+,27-/m1/s1" . "OCC(CCCC(C1CCC2C1(C)CCC1C2C(O)C=C2C1(C)CCC(C2)O)C)C" . "OC[C@@H](CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2[C@@H](O)C=C2[C@]1(C)CC[C@@H](C2)O)C)C" . "RXMHNAKZMGJANZ-BMOLSTJGSA-N" . "InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h15,17-18,20-25,28-30H,5-14,16H2,1-4H3/t17-,18-,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1" . "OCC(CCCC(C1CCC2C1(C)CCC1C2C(O)C=C2C1(C)CCC(C2)O)C)C" . "OC[C@@H](CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2[C@H](O)C=C2[C@]1(C)CC[C@@H](C2)O)C)C" . "RXMHNAKZMGJANZ-GNENNHQYSA-N" . "InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h15,17-18,20-25,28-30H,5-14,16H2,1-4H3/t17-,18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1" . "OC1CCC2(C(=CC(C3C2CCC2(C3CCC2C(CCCC(O)(C)C)C)C)O)C1)C" . "O[C@H]1CC[C@]2(C(=C[C@H]([C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(O)(C)C)C)C)O)C1)C" . "BQMSKLCEWBSPPY-IKVTXIKFSA-N" . "InChI=1S/C27H46O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-24,28-30H,6-15H2,1-5H3/t17-,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1" . "C=CC1=C(C)C2=NC1=Cc1[n-]c(c(c1C)CCC(=O)O)C=C1N=C(C=c3[n-]c(=C2)c(C=C)c3C)C(=C1CCC(=O)O)C.[Fe+2]" . "C=CC1=C(C)C2=NC1=Cc1[n-]c(c(c1C)CCC(=O)O)C=C1N=C(C=c3[n-]c(=C2)c(C=C)c3C)C(=C1CCC(=O)O)C.[Fe+2]" . "KABFMIBPWCXCRK-UHFFFAOYSA-L" . "InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2" . "CCOC(=O)c1ncc2c(c1C)c1c(cccc1[nH]2)OC(C)C" . "CCOC(=O)c1ncc2c(c1C)c1c(cccc1[nH]2)OC(C)C" . "VMDUABMKBUKKPG-UHFFFAOYSA-N" . "InChI=1S/C18H20N2O3/c1-5-22-18(21)17-11(4)15-13(9-19-17)20-12-7-6-8-14(16(12)15)23-10(2)3/h6-10,20H,5H2,1-4H3" . "COCc1c(ncc2c1c1cc(OCc3ccccc3)ccc1[nH]2)C(=O)OCC" . "COCc1c(ncc2c1c1cc(OCc3ccccc3)ccc1[nH]2)C(=O)OCC" . "ALBKMJDFBZVHAK-UHFFFAOYSA-N" . "InChI=1S/C23H22N2O4/c1-3-28-23(26)22-18(14-27-2)21-17-11-16(29-13-15-7-5-4-6-8-15)9-10-19(17)25-20(21)12-24-22/h4-12,25H,3,13-14H2,1-2H3" . "C1CCCC2CCCN3C2OC(CCCCCCC2C4OC(CC1)CCN4CCC2)CC3" . "C1CCC[C@@H]2CCCN3[C@@H]2O[C@@H](CCCCCC[C@@H]2[C@H]4O[C@@H](CC1)CCN4CCC2)CC3" . "PQYOPBRFUUEHRC-MUJQFDPKSA-N" . "InChI=1S/C28H50N2O2/c1-3-7-15-25-17-21-30-20-10-14-24(28(30)31-25)12-6-2-4-8-16-26-18-22-29-19-9-13-23(11-5-1)27(29)32-26/h23-28H,1-22H2/t23-,24+,25-,26-,27+,28+/m0/s1" . "COc1ccc(cc1)NC(=O)C1CC(C)CCC1C(C)C" . "COc1ccc(cc1)NC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C" . "HNSGVPAAXJJOPQ-XOKHGSTOSA-N" . "InChI=1S/C18H27NO2/c1-12(2)16-10-5-13(3)11-17(16)18(20)19-14-6-8-15(21-4)9-7-14/h6-9,12-13,16-17H,5,10-11H2,1-4H3,(H,19,20)/t13-,16+,17-/m1/s1" . "O=C(c1c[nH]c2c(c1=O)cccc2)Nc1cc(O)c(cc1C(C)(C)C)C(C)(C)C" . "O=C(c1c[nH]c2c(c1=O)cccc2)Nc1cc(O)c(cc1C(C)(C)C)C(C)(C)C" . "PURKAOJPTOLRMP-UHFFFAOYSA-N" . "InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29)" . "Cc1ccc(c(c1)c1n[nH]c(c1)c1ccccc1)O" . "Cc1ccc(c(c1)c1n[nH]c(c1)c1ccccc1)O" . "AQWKVJFRGORALM-UHFFFAOYSA-N" . "InChI=1S/C16H14N2O/c1-11-7-8-16(19)13(9-11)15-10-14(17-18-15)12-5-3-2-4-6-12/h2-10,19H,1H3,(H,17,18)" . "COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(c1nc(OC2CCCCC2)c2c(n1)cccc2)C" . "COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(c1nc(OC2CCCCC2)c2c(n1)cccc2)C" . "FJNFVCAHHFNREI-UHFFFAOYSA-N" . "InChI=1S/C27H34N4O4S/c1-20(30-16-18-31(19-17-30)36(32,33)23-14-12-21(34-2)13-15-23)26-28-25-11-7-6-10-24(25)27(29-26)35-22-8-4-3-5-9-22/h6-7,10-15,20,22H,3-5,8-9,16-19H2,1-2H3" . "O=C(Oc1cccc(c1)c1cccc(c1)C(=O)N)NC1CCCCC1" . "O=C(Oc1cccc(c1)c1cccc(c1)C(=O)N)NC1CCCCC1" . "ROFVXGGUISEHAM-UHFFFAOYSA-N" . "InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)" . "Clc1cccc(c1)n1c(=O)[nH]c2c1ccc(c2)C(F)(F)F" . "Clc1cccc(c1)n1c(=O)[nH]c2c1ccc(c2)C(F)(F)F" . "NMPJFFWYEIIGFW-UHFFFAOYSA-N" . "InChI=1S/C14H8ClF3N2O/c15-9-2-1-3-10(7-9)20-12-5-4-8(14(16,17)18)6-11(12)19-13(20)21/h1-7H,(H,19,21)" . "O=c1cc(oc2c1cc(c1ccco1)c1c2cccc1)c1ccncc1" . "O=c1cc(oc2c1cc(c1ccco1)c1c2cccc1)c1ccncc1" . "YYRINQRAIIGEQV-UHFFFAOYSA-N" . "InChI=1S/C22H13NO3/c24-19-13-21(14-7-9-23-10-8-14)26-22-16-5-2-1-4-15(16)17(12-18(19)22)20-6-3-11-25-20/h1-13H" . "O=c1cc(oc2c1ccc1c2cccc1)c1ccncc1" . "O=c1cc(oc2c1ccc1c2cccc1)c1ccncc1" . "LZCOBWKVDSSOBB-UHFFFAOYSA-N" . "InChI=1S/C18H11NO2/c20-16-11-17(13-7-9-19-10-8-13)21-18-14-4-2-1-3-12(14)5-6-15(16)18/h1-11H" . "NC(C(=O)O)Cn1cc(C)c(=O)n(c1=O)Cc1ccsc1C(=O)O" . "N[C@H](C(=O)O)Cn1cc(C)c(=O)n(c1=O)Cc1ccsc1C(=O)O" . "ZTAZUCRXCRXNSU-VIFPVBQESA-N" . "InChI=1S/C14H15N3O6S/c1-7-4-16(6-9(15)12(19)20)14(23)17(11(7)18)5-8-2-3-24-10(8)13(21)22/h2-4,9H,5-6,15H2,1H3,(H,19,20)(H,21,22)/t9-/m0/s1" . "NC(C(=O)O)Cn1ccc(=O)n(c1=O)Cc1ccccc1C(=O)O" . "N[C@H](C(=O)O)Cn1ccc(=O)n(c1=O)Cc1ccccc1C(=O)O" . "UUIYULWYHDSXHL-NSHDSACASA-N" . "InChI=1S/C15H15N3O6/c16-11(14(22)23)8-17-6-5-12(19)18(15(17)24)7-9-3-1-2-4-10(9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)/t11-/m0/s1" . "CCN(c1cccc(c1)c1ccnc2n1ncc2C#N)C(=O)C" . "CCN(c1cccc(c1)c1ccnc2n1ncc2C#N)C(=O)C" . "HUNXMJYCHXQEGX-UHFFFAOYSA-N" . "InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3" . "CN(CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F)C" . "CN(CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F)C" . "XSCGXQMFQXDFCW-UHFFFAOYSA-N" . "InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3" . "Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N" . "Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N" . "FNYLWPVRPXGIIP-UHFFFAOYSA-N" . "InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)" . "[O-]P(=O)(C1=CC[NH2+]CC1)C" . "[O-]P(=O)(C1=CC[NH2+]CC1)C" . "MFUKVPOVVKKLRQ-UHFFFAOYSA-N" . "InChI=1S/C6H12NO2P/c1-10(8,9)6-2-4-7-5-3-6/h2,7H,3-5H2,1H3,(H,8,9)" . "CCn1ncnc1COc1nn2c(cc1C(C)(C)C)nnc2c1ccccc1F" . "CCn1ncnc1COc1nn2c(cc1C(C)(C)C)nnc2c1ccccc1F" . "QKIWQBLNTSQOLY-UHFFFAOYSA-N" . "InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3" . "N#Cc1cc(F)ccc1c1cc(ccc1F)c1cnc2n1ccc(c2F)C(O)(C)C" . "N#Cc1cc(F)ccc1c1cc(ccc1F)c1cnc2n1ccc(c2F)C(O)(C)C" . "SJMMDWXJSSJHOQ-UHFFFAOYSA-N" . "InChI=1S/C23H16F3N3O/c1-23(2,30)18-7-8-29-20(12-28-22(29)21(18)26)13-3-6-19(25)17(10-13)16-5-4-15(24)9-14(16)11-27/h3-10,12,30H,1-2H3" . "ClCCC(=C(c1ccccc1)c1ccc(cc1)OCCN(C)C)c1ccccc1" . "ClCC/C(=C(/c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1" . "XFCLJVABOIYOMF-QPLCGJKRSA-N" . "InChI=1S/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3/b26-25-" . "NC1=NC=NC2=[N+](C=NC12)c1oc(c2c1OC1(O2)C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])COP(=O)(OP(=O)(OP(=O)([O-])[O-])O)O" . "NC1=NC=NC2=[N+](C=NC12)c1oc(c2c1OC1(O2)C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])COP(=O)(OP(=O)(OP(=O)([O-])[O-])O)O" . "NHXFSKZBEIIARS-UHFFFAOYSA-M" . "InChI=1S/C16H13N8O19P3/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(39-15)3-38-45(34,35)43-46(36,37)42-44(31,32)33)40-16(41-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-5,8,10,17H,3H2,(H4,31,32,33,34,35,36,37)/p-1" . "CCN(CCCCCCCCOC(=O)c1cc(OC)c(c(c1)OC)OC)CC" . "CCN(CCCCCCCCOC(=O)c1cc(OC)c(c(c1)OC)OC)CC" . "IBQMHBGFMLHHLE-UHFFFAOYSA-N" . "InChI=1S/C22H37NO5/c1-6-23(7-2)14-12-10-8-9-11-13-15-28-22(24)18-16-19(25-3)21(27-5)20(17-18)26-4/h16-17H,6-15H2,1-5H3" . "O=c1[nH]oc2c1CCNC2" . "O=c1[nH]oc2c1CCNC2" . "ZXRVKCBLGJOCEE-UHFFFAOYSA-N" . "InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)" . "OCC(=O)C1CCC2C1(C)CCC1C2CCC2C1(C)CCC(C2)O" . "OCC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@H](C2)O" . "CYKYBWRSLLXBOW-GDYGHMJCSA-N" . "InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1" . "CC(C12COP(=S)(OC1)OC2)(C)C" . "CC(C12COP(=S)(OC1)OC2)(C)C" . "VTBHBNXGFPTBJL-UHFFFAOYSA-N" . "InChI=1S/C8H15O3PS/c1-7(2,3)8-4-9-12(13,10-5-8)11-6-8/h4-6H2,1-3H3" . "O=C(c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O)OC1C(COC(=O)c2cc(O)c(c(c2)OC(=O)c2cc(O)c(c(c2)O)O)O)OC(C(C1OC(=O)c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O)OC(=O)c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O)OC(=O)c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O" . "O=C(c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O)O[C@@H]1[C@@H](COC(=O)c2cc(O)c(c(c2)OC(=O)c2cc(O)c(c(c2)O)O)O)O[C@H]([C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O)OC(=O)c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O)OC(=O)c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O" . "LRBQNJMCXXYXIU-PPKXGCFTSA-N" . "InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m1/s1" . "CC(OC(=O)C1=C(C)NC(=C(C1c1cccc2c1non2)[N+](=O)[O-])C)C" . "CC(OC(=O)C1=C(C)NC(=C(C1c1cccc2c1non2)[N+](=O)[O-])C)C" . "LYFZEFDZKPJBJK-UHFFFAOYSA-N" . "InChI=1S/C17H18N4O5/c1-8(2)25-17(22)13-9(3)18-10(4)16(21(23)24)14(13)11-6-5-7-12-15(11)20-26-19-12/h5-8,14,18H,1-4H3" . "S=C=Nc1ccc(c(c1)C=Cc1ccc(cc1S(=O)(=O)O)NC(=O)C)S(=O)(=O)O" . "S=C=Nc1ccc(c(c1)/C=C/c1ccc(cc1S(=O)(=O)O)NC(=O)C)S(=O)(=O)O" . "JPFIABFQSOJRGG-NSCUHMNNSA-N" . "InChI=1S/C17H14N2O7S3/c1-11(20)19-15-5-4-12(17(9-15)29(24,25)26)2-3-13-8-14(18-10-27)6-7-16(13)28(21,22)23/h2-9H,1H3,(H,19,20)(H,21,22,23)(H,24,25,26)/b3-2+" . "CCCCCCCCC=CCCCCCCCC(=O)N" . "CCCCCCCC/C=C/CCCCCCCC(=O)N" . "FATBGEAMYMYZAF-KTKRTIGZSA-N" . "InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9-" . "CCCCC1CCN(CC1)CCCN1C(=O)CCc2c1cccc2" . "CCCCC1CCN(CC1)CCCN1C(=O)CCc2c1cccc2" . "PHMGZAICAOYEAF-UHFFFAOYSA-N" . "InChI=1S/C21H32N2O/c1-2-3-7-18-12-16-22(17-13-18)14-6-15-23-20-9-5-4-8-19(20)10-11-21(23)24/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3" . "C=CCNC(=O)c1c[nH]c2c(c1=O)cc(cc2)S(=O)(=O)N(c1ccccc1OCC)C" . "C=CCNC(=O)c1c[nH]c2c(c1=O)cc(cc2)S(=O)(=O)N(c1ccccc1OCC)C" . "IVIJZILSKWHMIO-UHFFFAOYSA-N" . "InChI=1S/C22H23N3O5S/c1-4-12-23-22(27)17-14-24-18-11-10-15(13-16(18)21(17)26)31(28,29)25(3)19-8-6-7-9-20(19)30-5-2/h4,6-11,13-14H,1,5,12H2,2-3H3,(H,23,27)(H,24,26)" . "O=C(Nc1ccccc1Br)NC1CCN(C1)c1ccc(cn1)C(F)(F)F" . "O=C(Nc1ccccc1Br)N[C@@H]1CCN(C1)c1ccc(cn1)C(F)(F)F" . "JYILLRHXRVTRSH-GFCCVEGCSA-N" . "InChI=1S/C17H16BrF3N4O/c18-13-3-1-2-4-14(13)24-16(26)23-12-7-8-25(10-12)15-6-5-11(9-22-15)17(19,20)21/h1-6,9,12H,7-8,10H2,(H2,23,24,26)/t12-/m1/s1" . "CCN(c1cccc(c1)C)CCNC(=O)Nc1ccccc1Br" . "CCN(c1cccc(c1)C)CCNC(=O)Nc1ccccc1Br" . "IFJYEGJUQIBBQV-UHFFFAOYSA-N" . "InChI=1S/C18H22BrN3O/c1-3-22(15-8-6-7-14(2)13-15)12-11-20-18(23)21-17-10-5-4-9-16(17)19/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,23)" . "COc1cccc(c1)NC(=O)C=Cc1ccc(cc1)Cl" . "COc1cccc(c1)NC(=O)/C=C/c1ccc(cc1)Cl" . "RYAMDQKWNKKFHD-JXMROGBWSA-N" . "InChI=1S/C16H14ClNO2/c1-20-15-4-2-3-14(11-15)18-16(19)10-7-12-5-8-13(17)9-6-12/h2-11H,1H3,(H,18,19)/b10-7+" . "Oc1ccc(cc1)c1nc(c([nH]1)c1ccc(cc1)F)c1ccncc1" . "Oc1ccc(cc1)c1nc(c([nH]1)c1ccc(cc1)F)c1ccncc1" . "QHKYPYXTTXKZST-UHFFFAOYSA-N" . "InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)" . "OC(=O)c1ccccc1O" . "OC(=O)c1ccccc1O" . "YGSDEFSMJLZEOE-UHFFFAOYSA-N" . "InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)" . "OCCNC(=O)C(Sc1c[nH]c2c1c(C)ccc2)CC(C)C" . "OCCNC(=O)C(Sc1c[nH]c2c1c(C)ccc2)CC(C)C" . "FTNIWEHRMFLJKE-UHFFFAOYSA-N" . "InChI=1S/C17H24N2O2S/c1-11(2)9-14(17(21)18-7-8-20)22-15-10-19-13-6-4-5-12(3)16(13)15/h4-6,10-11,14,19-20H,7-9H2,1-3H3,(H,18,21)" . "O=S1(=O)NC2CCCN2c2c1cccc2" . "O=S1(=O)N[C@H]2CCCN2c2c1cccc2" . "MNTIJYGEITVWHU-SNVBAGLBSA-N" . "InChI=1S/C10H12N2O2S/c13-15(14)9-5-2-1-4-8(9)12-7-3-6-10(12)11-15/h1-2,4-5,10-11H,3,6-7H2/t10-/m1/s1" . "CC1CCC2(C3(C1O)OC1(C4(C3(O)C(C2(C)C1)(O)C(C4(O)C(C)C)OC(=O)c1[nH]ccc1)C)O)O" . "C[C@H]1CC[C@]2([C@@]3([C@@H]1O)O[C@@]1([C@]4([C@@]3(O)[C@@]([C@@]2(C)C1)(O)[C@@H]([C@]4(O)C(C)C)OC(=O)c1[nH]ccc1)C)O)O" . "JJSYXNQGLHBRRK-SFEDZAPPSA-N" . "InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12-13,15,17,26-27,29-33H,8-9,11H2,1-5H3/t13-,15+,17+,18-,19+,20-,21-,22+,23+,24+,25+/m0/s1" . "C#Cc1ccc2c(c1)C(=O)N(C)Cc1n2cnc1C(=O)OC(C)(C)C" . "C#Cc1ccc2c(c1)C(=O)N(C)Cc1n2cnc1C(=O)OC(C)(C)C" . "YTUMMZANIYQNOM-UHFFFAOYSA-N" . "InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3" . "OC(CN1CCC(=CC1)c1ccc(cc1)F)COc1ccc(cc1)C(=O)N" . "OC(CN1CCC(=CC1)c1ccc(cc1)F)COc1ccc(cc1)C(=O)N" . "HFHFPCVDUCBNLG-UHFFFAOYSA-N" . "InChI=1S/C21H23FN2O3/c22-18-5-1-15(2-6-18)16-9-11-24(12-10-16)13-19(25)14-27-20-7-3-17(4-8-20)21(23)26/h1-9,19,25H,10-14H2,(H2,23,26)" . "Brc1ccc2c(c1)c1ncnn1Cc1n2cnc1C(F)F" . "Brc1ccc2c(c1)c1ncnn1Cc1n2cnc1C(F)F" . "AFJRYPJIKHMNGL-UHFFFAOYSA-N" . "InChI=1S/C13H8BrF2N5/c14-7-1-2-9-8(3-7)13-17-5-19-21(13)4-10-11(12(15)16)18-6-20(9)10/h1-3,5-6,12H,4H2" . "COc1cc(Cc2cnc(nc2N)N)c(cc1OC)C(C)C" . "COc1cc(Cc2cnc(nc2N)N)c(cc1OC)C(C)C" . "PYNPWUIBJMVRIG-UHFFFAOYSA-N" . "InChI=1S/C16H22N4O2/c1-9(2)12-7-14(22-4)13(21-3)6-10(12)5-11-8-19-16(18)20-15(11)17/h6-9H,5H2,1-4H3,(H4,17,18,19,20)" . "CN1Cc2c(ncn2c2c(C1=O)scc2)C(=O)OC(C)(C)C" . "CN1Cc2c(ncn2c2c(C1=O)scc2)C(=O)OC(C)(C)C" . "ZIGMMUKDYCABPW-UHFFFAOYSA-N" . "InChI=1S/C15H17N3O3S/c1-15(2,3)21-14(20)11-10-7-17(4)13(19)12-9(5-6-22-12)18(10)8-16-11/h5-6,8H,7H2,1-4H3" . "CCOC(=O)c1ncn2c1CN(C)C(=O)c1c2ccc(c1)N=[N+]=[N-]" . "CCOC(=O)c1ncn2c1CN(C)C(=O)c1c2ccc(c1)N=[N+]=[N-]" . "CFSOJZTUTOQNIA-UHFFFAOYSA-N" . "InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3" . "Clc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)N1CCN(CC1)Cc1ccccc1" . "Clc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)N1CCN(CC1)Cc1ccccc1" . "ZNLVYSJQUMALEO-UHFFFAOYSA-N" . "InChI=1S/C17H18ClN3O4S/c18-15-6-7-17(16(12-15)21(22)23)26(24,25)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2" . "CCOC(=O)c1cnn(c1C(F)(F)F)c1ccc(cc1)NC(=O)C(=C(Cl)Cl)Cl" . "CCOC(=O)c1cnn(c1C(F)(F)F)c1ccc(cc1)NC(=O)C(=C(Cl)Cl)Cl" . "RZHGONNSASQOAY-UHFFFAOYSA-N" . "InChI=1S/C16H11Cl3F3N3O3/c1-2-28-15(27)10-7-23-25(12(10)16(20,21)22)9-5-3-8(4-6-9)24-14(26)11(17)13(18)19/h3-7H,2H2,1H3,(H,24,26)" . "Clc1ccc(cc1)C(=O)Nc1c(nc2n1cc(Br)cc2Br)c1cccs1" . "Clc1ccc(cc1)C(=O)Nc1c(nc2n1cc(Br)cc2Br)c1cccs1" . "MEWSBNIVOLYKGU-UHFFFAOYSA-N" . "InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N)C(O)C)CCCCN)C(O)C)CCCCN)C(C)C)CS)C(C)C)CCC(=O)O)Cc1ccccc1)CO)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCCN1C(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(CCC(=O)O)N)CC(=O)O)CS)CCCCN)CCCCN)CS)CC(=O)N)CCCN=C(N)N)Cc1nc[nH]c1)CC(=O)O)CS)CS)CCC(=O)O)CC(C)C)CCC(=O)O)CS" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)[C@H](O)C)CCCCN)[C@H](O)C)CCCCN)C(C)C)CS)C(C)C)CCC(=O)O)Cc1ccccc1)CO)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)N)CC(=O)O)CS)CCCCN)CCCCN)CS)CC(=O)N)CCCN=C(N)N)Cc1nc[nH]c1)CC(=O)O)CS)CS)CCC(=O)O)CC(C)C)CCC(=O)O)CS" . "OWCAPCHWSIBSKD-ACYSAVFESA-N" . "InChI=1S/C200H319N63O56S6/c1-13-102(10)157(258-188(311)139(95-324)252-181(304)133(83-153(281)282)243-161(284)111(206)56-60-148(271)272)195(318)262-74-36-54-142(262)190(313)240-116(46-23-28-66-203)168(291)245-128(78-106-84-222-112-42-19-17-40-109(106)112)177(300)231-114(44-21-26-64-201)162(285)224-89-147(270)230-135(91-320)186(309)256-154(99(4)5)192(315)248-131(81-144(207)267)179(302)236-121(51-33-71-220-199(213)214)169(292)247-130(80-108-86-217-97-227-108)164(287)226-88-146(269)229-132(82-152(279)280)180(303)251-138(94-323)185(308)253-136(92-321)183(306)237-123(57-61-149(273)274)163(286)225-87-145(268)228-126(76-98(2)3)175(298)238-124(58-62-150(275)276)171(294)250-137(93-322)184(307)246-129(79-107-85-223-113-43-20-18-41-110(107)113)178(301)235-115(45-22-27-65-202)165(288)232-119(49-31-69-218-197(209)210)166(289)233-120(50-32-70-219-198(211)212)167(290)234-122(52-34-72-221-200(215)216)170(293)249-134(90-264)182(305)244-127(77-105-38-15-14-16-39-105)176(299)239-125(59-63-151(277)278)174(297)255-155(100(6)7)193(316)254-140(96-325)187(310)257-156(101(8)9)194(317)261-73-35-53-141(261)189(312)242-118(48-25-30-68-205)173(296)260-159(104(12)266)196(319)263-75-37-55-143(263)191(314)241-117(47-24-29-67-204)172(295)259-158(103(11)265)160(208)283/h14-20,38-43,84-86,97-104,111,114-143,154-159,222-223,264-266,320-325H,13,21-37,44-83,87-96,201-206H2,1-12H3,(H2,207,267)(H2,208,283)(H,217,227)(H,224,285)(H,225,286)(H,226,287)(H,228,268)(H,229,269)(H,230,270)(H,231,300)(H,232,288)(H,233,289)(H,234,290)(H,235,301)(H,236,302)(H,237,306)(H,238,298)(H,239,299)(H,240,313)(H,241,314)(H,242,312)(H,243,284)(H,244,305)(H,245,291)(H,246,307)(H,247,292)(H,248,315)(H,249,293)(H,250,294)(H,251,303)(H,252,304)(H,253,308)(H,254,316)(H,255,297)(H,256,309)(H,257,310)(H,258,311)(H,259,295)(H,260,296)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H4,209,210,218)(H4,211,212,219)(H4,213,214,220)(H4,215,216,221)/t102-,103+,104+,111-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,154-,155-,156-,157-,158-,159-/m0/s1" . "CCN(CCOC(=O)c1ccc(cc1)N)CC" . "CCN(CCOC(=O)c1ccc(cc1)N)CC" . "MFDFERRIHVXMIY-UHFFFAOYSA-N" . "InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3" . "CC(=O)C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OS(=O)(=O)O" . "CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OS(=O)(=O)O" . "DIJBBUIOWGGQOP-QGVNFLHTSA-N" . "InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1" . "OC(=O)C(Cc1cccc(c1)c1ccccc1CP(=O)(O)O)N" . "OC(=O)C(Cc1cccc(c1)c1ccccc1CP(=O)(O)O)N" . "NCEGJIHRQBRVJQ-UHFFFAOYSA-N" . "InChI=1S/C16H18NO5P/c17-15(16(18)19)9-11-4-3-6-12(8-11)14-7-2-1-5-13(14)10-23(20,21)22/h1-8,15H,9-10,17H2,(H,18,19)(H2,20,21,22)" . "NC(=O)CN1CCCC1=O" . "NC(=O)CN1CCCC1=O" . "GMZVRMREEHBGGF-UHFFFAOYSA-N" . "InChI=1S/C6H10N2O2/c7-5(9)4-8-3-1-2-6(8)10/h1-4H2,(H2,7,9)" . "OS(=O)(=O)C1CCNCC1" . "OS(=O)(=O)C1CCNCC1" . "UGBJGGRINDTHIH-UHFFFAOYSA-N" . "InChI=1S/C5H11NO3S/c7-10(8,9)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8,9)" . "O=C1OC2C(C1C1(O)CC3C4(C1(C2OC4=O)C)O3)C(O)(C)C" . "O=C1O[C@@H]2[C@H]([C@H]1[C@]1(O)C[C@@H]3[C@]4([C@@]1([C@@H]2OC4=O)C)O3)C(O)(C)C" . "RYEFFICCPKWYML-QCGISDTRSA-N" . "InChI=1S/C15H18O7/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9/h5-9,18-19H,4H2,1-3H3/t5-,6+,7-,8-,9-,13-,14-,15+/m1/s1" . "Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O" . "Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O" . "VGEREEWJJVICBM-UHFFFAOYSA-N" . "InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2" . "O=C(C(N(C(=O)Cc1c[nH]c2c1cccc2)C)c1ccccc1)Nc1ccc(cc1)C(C)C" . "O=C(C(N(C(=O)Cc1c[nH]c2c1cccc2)C)c1ccccc1)Nc1ccc(cc1)C(C)C" . "PQAYCXMQTUEDRD-UHFFFAOYSA-N" . "InChI=1S/C28H29N3O2/c1-19(2)20-13-15-23(16-14-20)30-28(33)27(21-9-5-4-6-10-21)31(3)26(32)17-22-18-29-25-12-8-7-11-24(22)25/h4-16,18-19,27,29H,17H2,1-3H3,(H,30,33)" . "CCCCCCC(OC(=O)Cc1ccccc1)CC=CCCCCCCCC(=O)NCc1ccc(c(c1)OC)O" . "CCCCCC[C@@H](OC(=O)Cc1ccccc1)C/C=C/CCCCCCCC(=O)NCc1ccc(c(c1)OC)O" . "LXLBUUJANYSIKU-SSBKBLCMSA-N" . "InChI=1S/C34H49NO5/c1-3-4-5-15-20-30(40-34(38)26-28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-33(37)35-27-29-23-24-31(36)32(25-29)39-2/h10,12-14,16,18-19,23-25,30,36H,3-9,11,15,17,20-22,26-27H2,1-2H3,(H,35,37)/b16-10+/t30-/m1/s1" . "C1CCC(CC1)(N1CCCCC1)c1ccccc1" . "C1CCC(CC1)(N1CCCCC1)c1ccccc1" . "JTJMJGYZQZDUJJ-UHFFFAOYSA-N" . "InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2" . "NC(=NC(=O)c1nc(Cl)c(nc1N)N)Nc1ccccc1" . "N/C(=N/C(=O)c1nc(Cl)c(nc1N)N)/Nc1ccccc1" . "NIOHELZQFBGCEO-UHFFFAOYSA-N" . "InChI=1S/C12H12ClN7O/c13-8-10(15)19-9(14)7(18-8)11(21)20-12(16)17-6-4-2-1-3-5-6/h1-5H,(H4,14,15,19)(H3,16,17,20,21)" . "OCC(COc1ccc(cc1)CCCCN=C(NC(=O)c1nc(Cl)c(nc1N)N)N)O" . "OCC(COc1ccc(cc1)CCCCN=C(NC(=O)c1nc(Cl)c(nc1N)N)N)O" . "NTRKMGDUWYBLMS-UHFFFAOYSA-N" . "InChI=1S/C19H26ClN7O4/c20-15-17(22)26-16(21)14(25-15)18(30)27-19(23)24-8-2-1-3-11-4-6-13(7-5-11)31-10-12(29)9-28/h4-7,12,28-29H,1-3,8-10H2,(H4,21,22,26)(H3,23,24,27,30)" . "COc1ccc2c(c1)nc([nH]2)S(=O)Cc1ncc(c(c1C)OC)C" . "COc1ccc2c(c1)nc([nH]2)S(=O)Cc1ncc(c(c1C)OC)C" . "SUBDBMMJDZJVOS-UHFFFAOYSA-N" . "InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)" . "CCCCCCCCO" . "CCCCCCCCO" . "KBPLFHHGFOOTCA-UHFFFAOYSA-N" . "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" . "O=C(c1cnn2c1nccc2c1ccncc1)c1ccccn1" . "O=C(c1cnn2c1nccc2c1ccncc1)c1ccccn1" . "OQJFBUOFGHPMSR-UHFFFAOYSA-N" . "InChI=1S/C17H11N5O/c23-16(14-3-1-2-7-19-14)13-11-21-22-15(6-10-20-17(13)22)12-4-8-18-9-5-12/h1-11H" . "Brc1ccc(cc1)C(NC(P(=O)(O)O)c1cccc2c1[nH]c(=O)c(=O)[nH]2)C" . "Brc1ccc(cc1)[C@@H](N[C@@H](P(=O)(O)O)c1cccc2c1[nH]c(=O)c(=O)[nH]2)C" . "XXZGNAZRWCBSBK-XYZCENFISA-N" . "InChI=1S/C17H17BrN3O5P/c1-9(10-5-7-11(18)8-6-10)19-17(27(24,25)26)12-3-2-4-13-14(12)21-16(23)15(22)20-13/h2-9,17,19H,1H3,(H,20,22)(H,21,23)(H2,24,25,26)/t9-,17-/m0/s1" . "O=C(Nc1cc(Cl)cc(c1)Cl)Nc1ccc(c(c1)c1[nH]nnn1)c1ccc(cc1)C(=O)N(C)C" . "O=C(Nc1cc(Cl)cc(c1)Cl)Nc1ccc(c(c1)c1[nH]nnn1)c1ccc(cc1)C(=O)N(C)C" . "FQIPXFVYNAMLDB-UHFFFAOYSA-N" . "InChI=1S/C23H19Cl2N7O2/c1-32(2)22(33)14-5-3-13(4-6-14)19-8-7-17(12-20(19)21-28-30-31-29-21)26-23(34)27-18-10-15(24)9-16(25)11-18/h3-12H,1-2H3,(H2,26,27,34)(H,28,29,30,31)" . "OC(=O)c1ccccc1Nc1ccccc1" . "OC(=O)c1ccccc1Nc1ccccc1" . "ZWJINEZUASEZBH-UHFFFAOYSA-N" . "InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)" . "O=C(c1ccccc1)Nc1cc(NC(=O)c2ccccc2)c(cc1C(=O)O)C(=O)O" . "O=C(c1ccccc1)Nc1cc(NC(=O)c2ccccc2)c(cc1C(=O)O)C(=O)O" . "UUDYZUDTQPLDDP-UHFFFAOYSA-N" . "InChI=1S/C22H16N2O6/c25-19(13-7-3-1-4-8-13)23-17-12-18(16(22(29)30)11-15(17)21(27)28)24-20(26)14-9-5-2-6-10-14/h1-12H,(H,23,25)(H,24,26)(H,27,28)(H,29,30)" . "O=C(Nc1ccc(cc1c1[nH]nnn1)Br)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "O=C(Nc1ccc(cc1c1[nH]nnn1)Br)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "AEFYFGMSRKDXHZ-UHFFFAOYSA-N" . "InChI=1S/C16H9BrF6N6O/c17-9-1-2-12(11(6-9)13-26-28-29-27-13)25-14(30)24-10-4-7(15(18,19)20)3-8(5-10)16(21,22)23/h1-6H,(H2,24,25,30)(H,26,27,28,29)" . "Oc1ccc(cc1n1c(=O)[nH]c2c1ccc(c2)C(F)(F)F)C(F)(F)F" . "Oc1ccc(cc1n1c(=O)[nH]c2c1ccc(c2)C(F)(F)F)C(F)(F)F" . "YLFMCMWKHSDUCT-UHFFFAOYSA-N" . "InChI=1S/C15H8F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,24H,(H,22,25)" . "Clc1ccc(c(c1)n1c(=O)[nH]c2c1ccc(c2)C(F)(F)F)O" . "Clc1ccc(c(c1)n1c(=O)[nH]c2c1ccc(c2)C(F)(F)F)O" . "WYLYBVMNGZOYOH-UHFFFAOYSA-N" . "InChI=1S/C14H8ClF3N2O2/c15-8-2-4-12(21)11(6-8)20-10-3-1-7(14(16,17)18)5-9(10)19-13(20)22/h1-6,21H,(H,19,22)" . "OC(=O)c1cc(ccc1NCCCc1ccccc1)[N+](=O)[O-]" . "OC(=O)c1cc(ccc1NCCCc1ccccc1)[N+](=O)[O-]" . "WBSMIPAMAXNXFS-UHFFFAOYSA-N" . "InChI=1S/C16H16N2O4/c19-16(20)14-11-13(18(21)22)8-9-15(14)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,17H,4,7,10H2,(H,19,20)" . "CN(CCC1(CCc2c(C1C(C)C)ccc(c2)F)OC(=O)C1CC1)CCCc1nc2c([nH]1)cccc2" . "CN(CC[C@]1(CCc2c([C@@H]1C(C)C)ccc(c2)F)OC(=O)C1CC1)CCCc1nc2c([nH]1)cccc2" . "VHHVPDKNKPNKHY-JDXGNMNLSA-N" . "InChI=1S/C30H38FN3O2/c1-20(2)28-24-13-12-23(31)19-22(24)14-15-30(28,36-29(35)21-10-11-21)16-18-34(3)17-6-9-27-32-25-7-4-5-8-26(25)33-27/h4-5,7-8,12-13,19-21,28H,6,9-11,14-18H2,1-3H3,(H,32,33)/t28-,30-/m0/s1" . "CNC(C(=O)O)CC(=O)O" . "CN[C@@H](C(=O)O)CC(=O)O" . "HOKKHZGPKSLGJE-GSVOUGTGSA-N" . "InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1" . "[Na]OS(=O)(=O)c1cc(ccc1NC(=O)c1cc(NC(=O)Nc2cc(cc(c2)C(=O)Nc2ccc(cc2S(=O)(=O)O[Na])S(=O)(=O)O[Na])C(=O)Nc2ccc(cc2S(=O)(=O)O[Na])S(=O)(=O)O[Na])cc(c1)C(=O)Nc1ccc(cc1S(=O)(=O)O[Na])S(=O)(=O)O[Na])S(=O)(=O)O[Na]" . "[Na]OS(=O)(=O)c1cc(ccc1NC(=O)c1cc(NC(=O)Nc2cc(cc(c2)C(=O)Nc2ccc(cc2S(=O)(=O)O[Na])S(=O)(=O)O[Na])C(=O)Nc2ccc(cc2S(=O)(=O)O[Na])S(=O)(=O)O[Na])cc(c1)C(=O)Nc1ccc(cc1S(=O)(=O)O[Na])S(=O)(=O)O[Na])S(=O)(=O)O[Na]" . "KCBZSNWCUJBMHF-UHFFFAOYSA-F" . "InChI=1S/C41H32N6O29S8.8Na/c48-37(44-29-5-1-25(77(53,54)55)15-33(29)81(65,66)67)19-9-20(38(49)45-30-6-2-26(78(56,57)58)16-34(30)82(68,69)70)12-23(11-19)42-41(52)43-24-13-21(39(50)46-31-7-3-27(79(59,60)61)17-35(31)83(71,72)73)10-22(14-24)40(51)47-32-8-4-28(80(62,63)64)18-36(32)84(74,75)76;;;;;;;;/h1-18H,(H,44,48)(H,45,49)(H,46,50)(H,47,51)(H2,42,43,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76);;;;;;;;/q;8*+1/p-8" . "[Na]OS(=O)(=O)c1cc(cc2c1c(ccc2S(=O)(=O)O[Na])NC(=O)c1cccc(c1)NC(=O)Nc1cccc(c1)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O[Na])S(=O)(=O)O[Na])S(=O)(=O)O[Na])S(=O)(=O)O[Na]" . "[Na]OS(=O)(=O)c1cc(cc2c1c(ccc2S(=O)(=O)O[Na])NC(=O)c1cccc(c1)NC(=O)Nc1cccc(c1)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O[Na])S(=O)(=O)O[Na])S(=O)(=O)O[Na])S(=O)(=O)O[Na]" . "FMQURVHYTBGYSQ-UHFFFAOYSA-H" . "InChI=1S/C35H26N4O21S6.6Na/c40-33(38-25-7-9-27(63(49,50)51)23-13-21(61(43,44)45)15-29(31(23)25)65(55,56)57)17-3-1-5-19(11-17)36-35(42)37-20-6-2-4-18(12-20)34(41)39-26-8-10-28(64(52,53)54)24-14-22(62(46,47)48)16-30(32(24)26)66(58,59)60;;;;;;/h1-16H,(H,38,40)(H,39,41)(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;;;/q;6*+1/p-6" . "CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O" . "CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O" . "HCZKYJDFEPMADG-UHFFFAOYSA-N" . "InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3" . "[O-][N+](=O)c1cc2[nH]c(=O)c(=O)[nH]c2c2c1c(ccc2)S(=O)(=O)N" . "[O-][N+](=O)c1cc2[nH]c(=O)c(=O)[nH]c2c2c1c(ccc2)S(=O)(=O)N" . "UQNAFPHGVPVTAL-UHFFFAOYSA-N" . "InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22)" . "COc1ccc2c(c1)CCC(=C2c1ccc(cc1)OCCN1CCCC1)c1ccccc1" . "COc1ccc2c(c1)CCC(=C2c1ccc(cc1)OCCN1CCCC1)c1ccccc1" . "JEYWNNAZDLFBFF-UHFFFAOYSA-N" . "InChI=1S/C29H31NO2/c1-31-26-14-16-28-24(21-26)11-15-27(22-7-3-2-4-8-22)29(28)23-9-12-25(13-10-23)32-20-19-30-17-5-6-18-30/h2-4,7-10,12-14,16,21H,5-6,11,15,17-20H2,1H3" . "NC(=Nc1ccc(cc1)C(=O)Oc1ccc2c(c1)ccc(c2)C(=N)N)N" . "NC(=Nc1ccc(cc1)C(=O)Oc1ccc2c(c1)ccc(c2)C(=N)N)N" . "MQQNFDZXWVTQEH-UHFFFAOYSA-N" . "InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)" . "CCCCC(C1(O)CCC2C(O1)CC(=O)C2CCCCCCC(=O)O)(F)F" . "CCCCC([C@@]1(O)CC[C@H]2[C@H](O1)CC(=O)[C@@H]2CCCCCCC(=O)O)(F)F" . "WGFOBBZOWHGYQH-MXHNKVEKSA-N" . "InChI=1S/C20H32F2O5/c1-2-3-11-19(21,22)20(26)12-10-15-14(16(23)13-17(15)27-20)8-6-4-5-7-9-18(24)25/h14-15,17,26H,2-13H2,1H3,(H,24,25)/t14-,15-,17-,20-/m1/s1" . "CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCc1ccc(c(c1)O)O" . "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NCCc1ccc(c(c1)O)O" . "MVVPIAAVGAWJNQ-DOFZRALJSA-N" . "InChI=1S/C28H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)29-23-22-25-20-21-26(30)27(31)24-25/h6-7,9-10,12-13,15-16,20-21,24,30-31H,2-5,8,11,14,17-19,22-23H2,1H3,(H,29,32)/b7-6-,10-9-,13-12-,16-15-" . "NCCCNCCCCNCCCNS(=O)(=O)c1cccc2c1cccc2N(C)C" . "NCCCNCCCCNCCCNS(=O)(=O)c1cccc2c1cccc2N(C)C" . "NSUSGNAFCIMCDH-UHFFFAOYSA-N" . "InChI=1S/C22H37N5O2S/c1-27(2)21-11-5-10-20-19(21)9-6-12-22(20)30(28,29)26-18-8-17-25-15-4-3-14-24-16-7-13-23/h5-6,9-12,24-26H,3-4,7-8,13-18,23H2,1-2H3" . "NCc1cc(=O)[nH]o1" . "NCc1cc(=O)[nH]o1" . "ZJQHPWUVQPJPQT-UHFFFAOYSA-N" . "InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)" . "[O-]C(=O)C(CC1(OC2C(C1)OCCC2)C(=O)[O-])[NH3+]" . "[O-]C(=O)[C@H](C[C@]1(O[C@H]2[C@@H](C1)OCCC2)C(=O)[O-])[NH3+]" . "RZIYCCQNKHONBB-PRKAOEEVSA-M" . "InChI=1S/C11H17NO6/c12-6(9(13)14)4-11(10(15)16)5-8-7(18-11)2-1-3-17-8/h6-8H,1-5,12H2,(H,13,14)(H,15,16)/p-1/t6-,7+,8+,11+/m0/s1" . "Cc1onc(c1)c1nncc2n1nc(c2C(C)(C)C)OCc1ncnn1C" . "Cc1onc(c1)c1nncc2n1nc(c2C(C)(C)C)OCc1ncnn1C" . "QYSYOGCIDRANAR-UHFFFAOYSA-N" . "InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3" . "Clc1cccc2c1cccc2S(=O)(=O)N1CCNCCC1" . "Clc1cccc2c1cccc2S(=O)(=O)N1CCNCCC1" . "OZSMSRIUUDGTEP-UHFFFAOYSA-N" . "InChI=1S/C15H17ClN2O2S/c16-14-6-1-5-13-12(14)4-2-7-15(13)21(19,20)18-10-3-8-17-9-11-18/h1-2,4-7,17H,3,8-11H2" . "Cc1cc(nc2c1cccc2)N1CCCCC1" . "Cc1cc(nc2c1cccc2)N1CCCCC1" . "USYRQXDHKXGTCK-UHFFFAOYSA-N" . "InChI=1S/C15H18N2/c1-12-11-15(17-9-5-2-6-10-17)16-14-8-4-3-7-13(12)14/h3-4,7-8,11H,2,5-6,9-10H2,1H3" . "Nc1cc(nc([n+]1[O-])N)N1CCCCC1" . "Nc1cc(nc([n+]1[O-])N)N1CCCCC1" . "ZFMITUMMTDLWHR-UHFFFAOYSA-N" . "InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12)" . "CC12CC3CC(C1)(C)CC(C2)(C3)N" . "CC12CC3CC(C1)(C)CC(C2)(C3)N" . "BUGYDGFZZOZRHP-UHFFFAOYSA-N" . "InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3" . "OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1" . "OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1" . "XEEQGYMUWCZPDN-UHFFFAOYSA-N" . "InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2" . "CNC(=O)c1ccc(cc1)c1ccc(cc1)C(CNS(=O)(=O)C(C)C)(F)C" . "CNC(=O)c1ccc(cc1)c1ccc(cc1)[C@](CNS(=O)(=O)C(C)C)(F)C" . "MFJKNXILEXBWNQ-FQEVSTJZSA-N" . "InChI=1S/C20H25FN2O3S/c1-14(2)27(25,26)23-13-20(3,21)18-11-9-16(10-12-18)15-5-7-17(8-6-15)19(24)22-4/h5-12,14,23H,13H2,1-4H3,(H,22,24)/t20-/m0/s1" . "OC(=O)C1NCC2C(C1)CC(CC2)CN1CC(CC1C(=O)O)(F)F" . "OC(=O)C1NCC2C(C1)CC(CC2)CN1CC(CC1C(=O)O)(F)F" . "OXQXJYQSWZFDBB-UHFFFAOYSA-N" . "InChI=1S/C16H24F2N2O4/c17-16(18)5-13(15(23)24)20(8-16)7-9-1-2-10-6-19-12(14(21)22)4-11(10)3-9/h9-13,19H,1-8H2,(H,21,22)(H,23,24)" . "N#Cc1ccc(cc1)c1ccc(cc1)C(CNS(=O)(=O)C(C)C)C" . "N#Cc1ccc(cc1)c1ccc(cc1)C(CNS(=O)(=O)C(C)C)C" . "HOQAVGZLYRYHSO-UHFFFAOYSA-N" . "InChI=1S/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3" . "CC(c1ccc(cc1)c1ccccc1F)CNS(=O)(=O)C(C)C" . "CC(c1ccc(cc1)c1ccccc1F)CNS(=O)(=O)C(C)C" . "CECANHFDVPUVMI-UHFFFAOYSA-N" . "InChI=1S/C18H22FNO2S/c1-13(2)23(21,22)20-12-14(3)15-8-10-16(11-9-15)17-6-4-5-7-18(17)19/h4-11,13-14,20H,12H2,1-3H3" . "OC(=O)C1NCC2C(C1)CC(CC2)Cc1ccc(cc1)C(=O)O" . "OC(=O)[C@H]1NC[C@H]2[C@@H](C1)C[C@H](CC2)Cc1ccc(cc1)C(=O)O" . "YVMADKYPKNLVGU-BVUBDWEXSA-N" . "InChI=1S/C18H23NO4/c20-17(21)13-4-1-11(2-5-13)7-12-3-6-14-10-19-16(18(22)23)9-15(14)8-12/h1-2,4-5,12,14-16,19H,3,6-10H2,(H,20,21)(H,22,23)/t12-,14+,15-,16+/m1/s1" . "OC(=O)C(CC(C(=O)O)N)CC=Cc1ccc2c(c1)cccc2" . "OC(=O)C(CC(C(=O)O)N)C/C=C/c1ccc2c(c1)cccc2" . "KNAYYBRIBNEIAL-ONEGZZNKSA-N" . "InChI=1S/C18H19NO4/c19-16(18(22)23)11-15(17(20)21)7-3-4-12-8-9-13-5-1-2-6-14(13)10-12/h1-6,8-10,15-16H,7,11,19H2,(H,20,21)(H,22,23)/b4-3+" . "OC(=O)C1NCC2C(C1)CC(CC2)CCc1nnn[nH]1" . "OC(=O)[C@H]1NC[C@H]2[C@@H](C1)C[C@H](CC2)CCc1nnn[nH]1" . "ZXFRFPSZAKNPQQ-YTWAJWBKSA-N" . "InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1" . "OC(=O)C1NCC2C(C1)CC(CC2)Cc1nnn[nH]1" . "OC(=O)[C@@H]1NC[C@@H]2[C@H](C1)C[C@@H](CC2)Cc1nnn[nH]1" . "ACTONBBIVMTUAJ-DOLQZWNJSA-N" . "InChI=1S/C12H19N5O2/c18-12(19)10-5-9-3-7(1-2-8(9)6-13-10)4-11-14-16-17-15-11/h7-10,13H,1-6H2,(H,18,19)(H,14,15,16,17)/t7-,8-,9+,10-/m1/s1" . "OC(=O)C1NCCC(C1)Cc1nnn[nH]1" . "OC(=O)[C@@H]1NCC[C@@H](C1)Cc1nnn[nH]1" . "FAAVTENFCLADRE-NTSWFWBYSA-N" . "InChI=1S/C8H13N5O2/c14-8(15)6-3-5(1-2-9-6)4-7-10-12-13-11-7/h5-6,9H,1-4H2,(H,14,15)(H,10,11,12,13)/t5-,6+/m0/s1" . "Fc1ccc(c(c1)c1nnc2n1nc(OCc1ncnn1C)c(c2)C(C)(C)C)F" . "Fc1ccc(c(c1)c1nnc2n1nc(OCc1ncnn1C)c(c2)C(C)(C)C)F" . "BQDUNOMMYOKHEP-UHFFFAOYSA-N" . "InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5-6-14(12)21)28(15)26-18(13)29-9-16-22-10-23-27(16)4/h5-8,10H,9H2,1-4H3" . "Clc1ccc2c(c1)[nH]c(c(c2=O)c1cccc(c1)Oc1ccccc1)O" . "Clc1ccc2c(c1)[nH]c(c(c2=O)c1cccc(c1)Oc1ccccc1)O" . "FLVRDMUHUXVRET-UHFFFAOYSA-N" . "InChI=1S/C21H14ClNO3/c22-14-9-10-17-18(12-14)23-21(25)19(20(17)24)13-5-4-8-16(11-13)26-15-6-2-1-3-7-15/h1-12H,(H2,23,24,25)" . "O=C(NC1CC(Nc2c1c(Cl)cc(c2)Cl)C(=O)O)Nc1ccccc1" . "O=C(N[C@@H]1C[C@H](Nc2c1c(Cl)cc(c2)Cl)C(=O)O)Nc1ccccc1" . "UCKHICKHGAOGAP-KGLIPLIRSA-N" . "InChI=1S/C17H15Cl2N3O3/c18-9-6-11(19)15-12(7-9)21-14(16(23)24)8-13(15)22-17(25)20-10-4-2-1-3-5-10/h1-7,13-14,21H,8H2,(H,23,24)(H2,20,22,25)/t13-,14+/m1/s1" . "CCOC(=O)c1ncn2c1C1CCCN1C(=O)c1c2ccc(c1)OC" . "CCOC(=O)c1ncn2c1C1CCCN1C(=O)c1c2ccc(c1)OC" . "YKYOQIXTECBVBB-UHFFFAOYSA-N" . "InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3" . "OC1C(COP(=O)(OP(=O)(CP(=O)(O)O)O)O)OC(C1O)n1cnc2c1ncnc2N" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(CP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N" . "UFZTZBNSLXELAL-IOSLPCCCSA-N" . "InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1" . "O=C(C(N(S(=O)(=O)c1cccc2c1ccnc2)C)Cc1ccc(cc1)OS(=O)(=O)c1cccc2c1ccnc2)N1CCN(CC1)c1ccccc1" . "O=C([C@@H](N(S(=O)(=O)c1cccc2c1ccnc2)C)Cc1ccc(cc1)OS(=O)(=O)c1cccc2c1ccnc2)N1CCN(CC1)c1ccccc1" . "RJVLFQBBRSMWHX-DHUJRADRSA-N" . "InChI=1S/C38H35N5O6S2/c1-41(50(45,46)36-11-5-7-29-26-39-19-17-33(29)36)35(38(44)43-23-21-42(22-24-43)31-9-3-2-4-10-31)25-28-13-15-32(16-14-28)49-51(47,48)37-12-6-8-30-27-40-20-18-34(30)37/h2-20,26-27,35H,21-25H2,1H3/t35-/m0/s1" . "Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccnc2c1ccc(c2)Cl" . "Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccnc2c1ccc(c2)Cl" . "GIEHIZKCIZLXLF-UHFFFAOYSA-N" . "InChI=1S/C19H17Cl2N3O2S/c20-14-1-4-16(5-2-14)27(25,26)24-11-9-23(10-12-24)19-7-8-22-18-13-15(21)3-6-17(18)19/h1-8,13H,9-12H2" . "CNC1(CCCCC1=O)c1ccccc1Cl" . "CNC1(CCCCC1=O)c1ccccc1Cl" . "YQEZLKZALYSWHR-UHFFFAOYSA-N" . "InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3" . "CS(=O)(=O)O.NC(=N)SCCc1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-]" . "CS(=O)(=O)O.NC(=N)SCCc1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-]" . "WGIKEBHIKKWJLG-UHFFFAOYSA-N" . "InChI=1S/C16H17N3O3S.CH4O3S/c17-16(18)23-10-9-12-3-7-15(8-4-12)22-11-13-1-5-14(6-2-13)19(20)21;1-5(2,3)4/h1-8H,9-11H2,(H3,17,18);1H3,(H,2,3,4)" . "[O-]C(=O)CC1C(CNC1C(=O)[O-])C(=C)C" . "[O-]C(=O)C[C@H]1[C@H](CN[C@@H]1C(=O)[O-])C(=C)C" . "VLSMHEGGTFMBBZ-OOZYFLPDSA-L" . "InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/p-2/t6-,7+,9-/m0/s1" . "S=C(NCc1ccc(cc1)C(C)(C)C)NCc1ccc(c(c1)F)NS(=O)(=O)C" . "S=C(NCc1ccc(cc1)C(C)(C)C)NCc1ccc(c(c1)F)NS(=O)(=O)C" . "DUHBVFMCIJLUJX-UHFFFAOYSA-N" . "InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)" . "NCCCNCCCCNCCC(=O)NCCCCCNC(=O)C(NC(=O)Cc1ccc(cc1O)O)CC(=O)N" . "NCCCNCCCCNCCC(=O)NCCCCCNC(=O)[C@@H](NC(=O)Cc1ccc(cc1O)O)CC(=O)N" . "SJLRBGDPTALRDM-QFIPXVFZSA-N" . "InChI=1S/C27H47N7O6/c28-10-6-13-30-11-4-5-12-31-16-9-25(38)32-14-2-1-3-15-33-27(40)22(19-24(29)37)34-26(39)17-20-7-8-21(35)18-23(20)36/h7-8,18,22,30-31,35-36H,1-6,9-17,19,28H2,(H2,29,37)(H,32,38)(H,33,40)(H,34,39)/t22-/m0/s1" . "O=C(N1CCN(CC1)c1ncccc1C(F)(F)F)Nc1ccc(cn1)C(F)(F)F" . "O=C(N1CCN(CC1)c1ncccc1C(F)(F)F)Nc1ccc(cn1)C(F)(F)F" . "JFRYYGVYCWYIDQ-UHFFFAOYSA-N" . "InChI=1S/C17H15F6N5O/c18-16(19,20)11-3-4-13(25-10-11)26-15(29)28-8-6-27(7-9-28)14-12(17(21,22)23)2-1-5-24-14/h1-5,10H,6-9H2,(H,25,26,29)" . "OC(=O)C1CCNCC1" . "OC(=O)C1CCNCC1" . "SRJOCJYGOFTFLH-UHFFFAOYSA-N" . "InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)" . "OC(=O)C1=CCNCC1" . "OC(=O)C1=CCNCC1" . "KRVDMABBKYMBHG-UHFFFAOYSA-N" . "InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)" . "OC(=O)C1NCCC(C1)CP(=O)(O)O" . "OC(=O)[C@H]1NCC[C@H](C1)CP(=O)(O)O" . "LPMRCCNDNGONCD-RITPCOANSA-N" . "InChI=1S/C7H14NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h5-6,8H,1-4H2,(H,9,10)(H2,11,12,13)/t5-,6+/m1/s1" . "OC1C(COP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)([O-])[O-])[O-])[O-])[O-])OCC2OC(C(C2O)O)n2cnc3c2ncnc3O)OC(C1O)n1cnc2c1ncnc2O" . "OC1[C@@H](COP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)([O-])[O-])[O-])[O-])[O-])OC[C@H]2O[C@H](C(C2O)O)n2cnc3c2ncnc3O)O[C@H](C1O)n1cnc2c1ncnc2O" . "GFFAYTMBCSSULP-ICIWVTHHSA-I" . "InChI=1S/C20H27N8O24P5/c29-11-7(47-19(13(11)31)27-5-25-9-15(27)21-3-23-17(9)33)1-45-57(44,52-56(42,43)51-55(40,41)50-54(38,39)49-53(35,36)37)46-2-8-12(30)14(32)20(48-8)28-6-26-10-16(28)22-4-24-18(10)34/h3-8,11-14,19-20,29-32H,1-2H2,(H,38,39)(H,40,41)(H,42,43)(H,21,23,33)(H,22,24,34)(H2,35,36,37)/p-5/t7-,8-,11?,12?,13?,14?,19-,20-,57?/m1/s1" . "OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(C(C1O)OP(=O)(O)O)OP(=O)(O)O" . "O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]([C@H]([C@@H]1O)OP(=O)(O)O)OP(=O)(O)O" . "MRVYFOANPDTYBY-UZAAGFTCSA-N" . "InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4-,5+,6+/m0/s1" . "OC1C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(C(C1O)OP(=O)([O-])[O-])O" . "O[C@H]1[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@@H]([C@@H]([C@@H]1O)OP(=O)([O-])[O-])O" . "MMWCIQZXVOZEGG-SHFUYGGZSA-H" . "InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/p-6/t1-,2-,3-,4-,5+,6+/m1/s1" . "OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(C(C1O)OP(=O)(O)O)O" . "O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]([C@@H]([C@@H]1O)OP(=O)(O)O)O" . "MMWCIQZXVOZEGG-XJTPDSDZSA-N" . "InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1" . "CC(=O)N(c1cccc(c1)c1ccnc2n1ncc2C(=O)c1cccs1)C" . "CC(=O)N(c1cccc(c1)c1ccnc2n1ncc2C(=O)c1cccs1)C" . "CBIAWPMZSFFRGN-UHFFFAOYSA-N" . "InChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3" . "CC(=O)OC1CCC(=CCCC(=CCC2(OC1(C)CC2)C(C)C)C)C" . "CC(=O)OC1CCC(=CCCC(=CCC2(OC1(C)CC2)C(C)C)C)C" . "HVBACKJYWZTKCA-UHFFFAOYSA-N" . "InChI=1S/C22H36O3/c1-16(2)22-13-12-18(4)9-7-8-17(3)10-11-20(24-19(5)23)21(6,25-22)14-15-22/h8,12,16,20H,7,9-11,13-15H2,1-6H3" . "CC1Nc2ccc(cc2S(=O)(=O)N1)Cl" . "CC1Nc2ccc(cc2S(=O)(=O)N1)Cl" . "VZRNTCHTJRLTMU-UHFFFAOYSA-N" . "InChI=1S/C8H9ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-5,10-11H,1H3" . "NCCCCC1NC(=O)C(CSSCC(NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC(=O)O)CC(C)C)Cc1ccccc1)C(C)C)CC(=O)O)C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC1CSSCC(NC(=O)C(NC1=O)CCCNC(=N)N)C(=O)NC(C(=O)NC(C(=O)O)CCC(=O)N)Cc1ccc(cc1)O)CCCCN)CCCCN)CCSC)NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C1CSSCC(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C2CCC(=O)N2)Cc2ccccc2)CC(=O)O)CC(=O)O)C(=O)NC(CO)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCC(=O)O)CCCCN)CO)C(C)C)CO" . "NCCCCC1NC(=O)C(CSSCC(NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC(=O)O)CC(C)C)Cc1ccccc1)C(C)C)CC(=O)O)C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC1CSSCC(NC(=O)C(NC1=O)CCCNC(=N)N)C(=O)NC(C(=O)NC(C(=O)O)CCC(=O)N)Cc1ccc(cc1)O)CCCCN)CCCCN)CCSC)NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C1CSSCC(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C2CCC(=O)N2)Cc2ccccc2)CC(=O)O)CC(=O)O)C(=O)NC(CO)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCC(=O)O)CCCCN)CO)C(C)C)CO" . "VDNVVLOBNHIMQA-UHFFFAOYSA-N" . "InChI=1S/C179H274N50O55S7/c1-87(2)65-111-155(261)208-112(66-93-33-15-13-16-34-93)146(252)195-77-133(239)225-139(88(3)4)172(278)213-117(71-136(244)245)158(264)199-100(44-31-62-190-178(186)187)144(250)193-75-131(237)198-102(40-22-27-58-181)148(254)219-124(167(273)205-109(56-64-285-12)145(251)194-76-132(238)197-101(39-21-26-57-180)147(253)200-105(43-25-30-61-184)151(257)220-123-81-286-288-83-125(221-152(258)106(203-166(123)272)45-32-63-191-179(188)189)169(275)210-113(68-95-46-48-97(234)49-47-95)156(262)206-110(177(283)284)50-53-129(185)235)82-287-291-86-128(168(274)202-104(42-24-29-60-183)150(256)212-116(70-135(242)243)159(265)207-111)224-175(281)142(91(9)10)228-164(270)121(79-231)216-157(263)115(69-96-74-192-99-38-20-19-37-98(96)99)211-170(276)126-84-289-290-85-127(171(277)217-122(80-232)165(271)227-141(90(7)8)174(280)218-120(78-230)163(269)201-103(41-23-28-59-182)149(255)204-108(154(260)222-126)52-55-134(240)241)223-160(266)118(72-137(246)247)214-173(279)140(89(5)6)226-162(268)119(73-138(248)249)215-176(282)143(92(11)233)229-161(267)114(67-94-35-17-14-18-36-94)209-153(259)107-51-54-130(236)196-107/h13-20,33-38,46-49,74,87-92,100-128,139-143,192,230-234H,21-32,39-45,50-73,75-86,180-184H2,1-12H3,(H2,185,235)(H,193,250)(H,194,251)(H,195,252)(H,196,236)(H,197,238)(H,198,237)(H,199,264)(H,200,253)(H,201,269)(H,202,274)(H,203,272)(H,204,255)(H,205,273)(H,206,262)(H,207,265)(H,208,261)(H,209,259)(H,210,275)(H,211,276)(H,212,256)(H,213,278)(H,214,279)(H,215,282)(H,216,263)(H,217,277)(H,218,280)(H,219,254)(H,220,257)(H,221,258)(H,222,260)(H,223,266)(H,224,281)(H,225,239)(H,226,268)(H,227,271)(H,228,270)(H,229,267)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,283,284)(H4,186,187,190)(H4,188,189,191)" . "OC(=O)COc1cc2CC(C(=O)c2c(c1Cl)Cl)(C)C1CCCC1" . "OC(=O)COc1cc2CC(C(=O)c2c(c1Cl)Cl)(C)C1CCCC1" . "RNOJGTHBMJBOSP-UHFFFAOYSA-N" . "InChI=1S/C17H18Cl2O4/c1-17(10-4-2-3-5-10)7-9-6-11(23-8-12(20)21)14(18)15(19)13(9)16(17)22/h6,10H,2-5,7-8H2,1H3,(H,20,21)" . "OC(=O)Cc1cccnc1C(=O)O" . "OC(=O)Cc1cccnc1C(=O)O" . "HQPMJFFEXJELOQ-UHFFFAOYSA-N" . "InChI=1S/C8H7NO4/c10-6(11)4-5-2-1-3-9-7(5)8(12)13/h1-3H,4H2,(H,10,11)(H,12,13)" . "CC(=O)NC1C(OC2C(OC(C(C2O)O)OC2C(O)OC(C(C2CS(=O)(=O)O)OS(=O)(=O)O)OC2C(OC(C(C2O)OS(=O)(=O)O)O)C(=O)O)C(=O)O)OC(C(C1O)O)COS(=O)(=O)O" . "CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]2[C@@H](O)O[C@@H]([C@@H]([C@H]2CS(=O)(=O)O)OS(=O)(=O)O)O[C@@H]2[C@@H](OC([C@@H]([C@H]2O)OS(=O)(=O)O)O)C(=O)O)C(=O)O)O[C@@H]([C@H]([C@@H]1O)O)COS(=O)(=O)O" . "ZFGMDIBRIDKWMY-PASTXAENSA-N" . "InChI=1S/C26H41NO34S4/c1-4(28)27-7-9(30)8(29)6(2-52-63(43,44)45)53-24(7)56-15-10(31)11(32)25(58-19(15)21(36)37)55-13-5(3-62(40,41)42)14(60-64(46,47)48)26(59-22(13)38)57-16-12(33)17(61-65(49,50)51)23(39)54-18(16)20(34)35/h5-19,22-26,29-33,38-39H,2-3H2,1H3,(H,27,28)(H,34,35)(H,36,37)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)/t5-,6+,7+,8+,9+,10+,11+,12-,13-,14+,15-,16-,17+,18+,19-,22-,23?,24+,25+,26-/m0/s1" . "O=C(c1cc(n(c1C)CCCN1CCOCC1)c1ccccc1)Nc1cccc(c1)C(F)(F)F" . "O=C(c1cc(n(c1C)CCCN1CCOCC1)c1ccccc1)Nc1cccc(c1)C(F)(F)F" . "NCZYSQOTAYFTNM-UHFFFAOYSA-N" . "InChI=1S/C26H28F3N3O2/c1-19-23(25(33)30-22-10-5-9-21(17-22)26(27,28)29)18-24(20-7-3-2-4-8-20)32(19)12-6-11-31-13-15-34-16-14-31/h2-5,7-10,17-18H,6,11-16H2,1H3,(H,30,33)" . "[O-][n+]1onc(c1C(=O)c1cccs1)C(=O)c1cccs1" . "[O-][n+]1onc(c1C(=O)c1cccs1)C(=O)c1cccs1" . "RUQGCDMXFBOTMW-UHFFFAOYSA-N" . "InChI=1S/C12H6N2O4S2/c15-11(7-3-1-5-19-7)9-10(14(17)18-13-9)12(16)8-4-2-6-20-8/h1-6H" . "O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)Nc1ccc(cc1)C(C)C" . "O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)Nc1ccc(cc1)C(C)C" . "HEQDZPHDVAOBLN-UHFFFAOYSA-N" . "InChI=1S/C18H21N5O3/c1-11(2)12-5-7-13(8-6-12)20-14(24)9-23-10-19-16-15(23)17(25)22(4)18(26)21(16)3/h5-8,10-11H,9H2,1-4H3,(H,20,24)" . "Nc1ccc(cc1)C1=NN=C(Cc2c1cc1OCOc1c2)C" . "Nc1ccc(cc1)C1=NN=C(Cc2c1cc1OCOc1c2)C" . "LFBZZHVSGAHQPP-UHFFFAOYSA-N" . "InChI=1S/C17H15N3O2/c1-10-6-12-7-15-16(22-9-21-15)8-14(12)17(20-19-10)11-2-4-13(18)5-3-11/h2-5,7-8H,6,9,18H2,1H3" . "CNC(=O)N1N=C(c2ccc(cc2)N)c2c(CC1C)cc1c(c2)OCO1" . "CNC(=O)N1N=C(c2ccc(cc2)N)c2c(CC1C)cc1c(c2)OCO1" . "SMGACXZFVXKEAX-UHFFFAOYSA-N" . "InChI=1S/C19H20N4O3/c1-11-7-13-8-16-17(26-10-25-16)9-15(13)18(22-23(11)19(24)21-2)12-3-5-14(20)6-4-12/h3-6,8-9,11H,7,10,20H2,1-2H3,(H,21,24)" . "Clc1cc(Cl)c2c(c1)[nH]c(c2C=C1CCN(C1=O)c1ccccc1)C(=O)[O-]" . "Clc1cc(Cl)c2c(c1)[nH]c(c2/C=C/1/CCN(C1=O)c1ccccc1)C(=O)[O-]" . "VDIRQCDDCGAGET-DHZHZOJOSA-M" . "InChI=1S/C20H14Cl2N2O3/c21-12-9-15(22)17-14(18(20(26)27)23-16(17)10-12)8-11-6-7-24(19(11)25)13-4-2-1-3-5-13/h1-5,8-10,23H,6-7H2,(H,26,27)/p-1/b11-8+" . "OC1C(COP(=O)(OP(=O)(OP(=S)(O)O)O)O)OC(C1O)n1cnc2c1[nH]c(N)nc2=O" . "OC1C(COP(=O)(OP(=O)(OP(=S)(O)O)O)O)OC(C1O)n1cnc2c1[nH]c(N)nc2=O" . "XOFLBQFBSOEHOG-UHFFFAOYSA-N" . "InChI=1S/C10H16N5O13P3S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-29(19,20)27-30(21,22)28-31(23,24)32/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H3,11,13,14,18)" . "OCC(C(=O)N1CCN(CC1)C(=O)C(NC(=O)c1cc2c(s1)cccc2)CC(C)C)NS(=O)(=O)c1ccc(cc1Cl)Cl" . "OC[C@@H](C(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1cc2c(s1)cccc2)CC(C)C)NS(=O)(=O)c1ccc(cc1Cl)Cl" . "IVYQPSHHYIAUFO-VXKWHMMOSA-N" . "InChI=1S/C28H32Cl2N4O6S2/c1-17(2)13-21(31-26(36)24-14-18-5-3-4-6-23(18)41-24)27(37)33-9-11-34(12-10-33)28(38)22(16-35)32-42(39,40)25-8-7-19(29)15-20(25)30/h3-8,14-15,17,21-22,32,35H,9-13,16H2,1-2H3,(H,31,36)/t21-,22-/m0/s1" . "O=Cc1c(O)c(O)c(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)c(C=O)c(c(c2C(C)C)O)O)C(C)C" . "O=Cc1c(O)c(O)c(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)c(C=O)c(c(c2C(C)C)O)O)C(C)C" . "QBKSWRVVCFFDOT-UHFFFAOYSA-N" . "InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3" . "NC(=N)Nc1nc2ccccc2c(n1)C" . "NC(=N)Nc1nc2ccccc2c(n1)C" . "ONQKSKDLYYDFLL-UHFFFAOYSA-N" . "InChI=1S/C10H11N5/c1-6-7-4-2-3-5-8(7)14-10(13-6)15-9(11)12/h2-5H,1H3,(H4,11,12,13,14,15)" . "O=C(CNc1ccc2c(c1)cccc2)NNC=C1C=C(Br)C(=C(C1=O)Br)O" . "O=C(CNc1ccc2c(c1)cccc2)NNC=C1C=C(Br)C(=C(C1=O)Br)O" . "FLGYCSPPJQJZCH-UHFFFAOYSA-N" . "InChI=1S/C19H15Br2N3O3/c20-15-8-13(18(26)17(21)19(15)27)9-23-24-16(25)10-22-14-6-5-11-3-1-2-4-12(11)7-14/h1-9,22-23,27H,10H2,(H,24,25)" . "CC1=C2C=C3OC4C5(C3(CC2OC1=O)C(O)CC5C(C)(C)C)C(C(=O)O4)O" . "CC1=C2C=C3O[C@H]4[C@@]5([C@@]3(C[C@@H]2OC1=O)[C@@H](O)C[C@H]5C(C)(C)C)[C@H](C(=O)O4)O" . "SPCYYGUOUYOYPX-FUDPCSHESA-N" . "InChI=1S/C20H24O7/c1-8-9-5-13-19(7-10(9)25-15(8)23)12(21)6-11(18(2,3)4)20(19)14(22)16(24)27-17(20)26-13/h5,10-12,14,17,21-22H,6-7H2,1-4H3/t10-,11-,12-,14-,17+,19-,20-/m0/s1" . "Nc1on[n+](n1)c1ccc(c(c1)Cl)Cl" . "Nc1on[n+](n1)c1ccc(c(c1)Cl)Cl" . "KMVGWIQTUUBYAV-UHFFFAOYSA-N" . "InChI=1S/C7H5Cl2N4O/c8-5-2-1-4(3-6(5)9)13-11-7(10)14-12-13/h1-3H,(H2,10,11,12)/q+1" . "COc1ccc(cc1)c1ccc(=N)n(n1)CCCC(=O)O" . "COc1ccc(cc1)c1ccc(=N)n(n1)CCCC(=O)O" . "ACVGNKYJVGNLIL-UHFFFAOYSA-N" . "InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)" . "C=O" . "C=O" . "WSFSSNUMVMOOMR-UHFFFAOYSA-N" . "InChI=1S/CH2O/c1-2/h1H2" . "OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C" . "OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C" . "SYTBZMRGLBWNTM-UHFFFAOYSA-N" . "InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)" . "[O-]C(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F" . "[O-]C(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F" . "LPEPZBJOKDYZAD-UHFFFAOYSA-M" . "InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)/p-1" . "CCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1Cl)Cl)C(=O)OC)C" . "CCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1Cl)Cl)C(=O)OC)C" . "RZTAMFZIAATZDJ-UHFFFAOYSA-N" . "InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3" . "CC(=O)C1CCC2C1(C)CCC1C2CCC2C1(C)CCC(C2)OS(=O)(=O)O" . "CC(=O)C1CCC2[C@]1(C)CCC1C2CC[C@H]2[C@]1(C)CC[C@@H](C2)OS(=O)(=O)O" . "MENQCIVHHONJLU-ACWDEBGSSA-N" . "InChI=1S/C21H34O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12H2,1-3H3,(H,23,24,25)/t14-,15+,16?,17?,18?,19?,20+,21-/m1/s1" . "CCN(c1nc(N)c(nc1Cl)C(=O)N=C(N)N)C(C)C" . "CCN(c1nc(N)c(nc1Cl)C(=O)N=C(N)N)C(C)C" . "QDERNBXNXJCIQK-UHFFFAOYSA-N" . "InChI=1S/C11H18ClN7O/c1-4-19(5(2)3)9-7(12)16-6(8(13)17-9)10(20)18-11(14)15/h5H,4H2,1-3H3,(H2,13,17)(H4,14,15,18,20)" . "CNC1C(O)COC2C1OC(C2)(CC(C(=O)O)N)C(=O)O" . "CN[C@@H]1[C@H](O)CO[C@H]2[C@@H]1O[C@@](C2)(C[C@@H](C(=O)O)N)C(=O)O" . "YUSZFKPLFIQTGF-FDNSHYBFSA-N" . "InChI=1S/C12H20N2O7/c1-14-8-6(15)4-20-7-3-12(11(18)19,21-9(7)8)2-5(13)10(16)17/h5-9,14-15H,2-4,13H2,1H3,(H,16,17)(H,18,19)/t5-,6+,7+,8+,9-,12+/m0/s1" . "Clc1ccc(cc1)C(=O)Nc1c(nc2n1cccc2)c1cccs1" . "Clc1ccc(cc1)C(=O)Nc1c(nc2n1cccc2)c1cccs1" . "AZKMWHRDICVYEI-UHFFFAOYSA-N" . "InChI=1S/C18H12ClN3OS/c19-13-8-6-12(7-9-13)18(23)21-17-16(14-4-3-11-24-14)20-15-5-1-2-10-22(15)17/h1-11H,(H,21,23)" . "CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F" . "CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F" . "PPTYJKAXVCCBDU-UHFFFAOYSA-N" . "InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3" . "CCCCSc1nsnc1C1=CCCN(C1)C" . "[11CH3]CCCSc1nsnc1C1=CCCN(C1)C" . "SFXHHGRYNXLPKT-BJUDXGSMSA-N" . "InChI=1S/C12H19N3S2/c1-3-4-8-16-12-11(13-17-14-12)10-6-5-7-15(2)9-10/h6H,3-5,7-9H2,1-2H3/i1-1" . "OC(=O)CC1C(CNC1C(=O)O)C(=CC=CC(C(=O)O)C)C" . "OC(=O)C[C@H]1[C@H](CN[C@@H]1C(=O)O)/C(=C/C=C/[C@H](C(=O)O)C)/C" . "VZFRNCSOCOPNDB-AOKDLOFSSA-N" . "InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4-/t9-,10+,11-,13+/m1/s1" . "COC(=O)c1ncc2c(c1CC)c1cc(OC)c(cc1[nH]2)OC" . "COC(=O)c1ncc2c(c1CC)c1cc(OC)c(cc1[nH]2)OC" . "GADIKQPUNWAMEB-UHFFFAOYSA-N" . "InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3" . "S=C=Nc1ccc(c(c1)S(=O)(=O)O)C=Cc1ccc(cc1S(=O)(=O)O)N=C=S" . "S=C=Nc1ccc(c(c1)S(=O)(=O)O)C=Cc1ccc(cc1S(=O)(=O)O)N=C=S" . "YSCNMFDFYJUPEF-UHFFFAOYSA-N" . "InChI=1S/C16H10N2O6S4/c19-27(20,21)15-7-13(17-9-25)5-3-11(15)1-2-12-4-6-14(18-10-26)8-16(12)28(22,23)24/h1-8H,(H,19,20,21)(H,22,23,24)" . "CCCCN1C(=O)C(=CC=CC=Cc2c(O)n(CCCC)c(=O)n(c2=O)CCCC)C(=O)N(C1=O)CCCC" . "CCCCN1C(=O)C(=CC=CC=Cc2c(O)n(CCCC)c(=O)n(c2=O)CCCC)C(=O)N(C1=O)CCCC" . "CQAPPGVBCMJDML-UHFFFAOYSA-N" . "InChI=1S/C29H42N4O6/c1-5-9-18-30-24(34)22(25(35)31(28(30)38)19-10-6-2)16-14-13-15-17-23-26(36)32(20-11-7-3)29(39)33(27(23)37)21-12-8-4/h13-17,34H,5-12,18-21H2,1-4H3" . "CCCCC1(Cc2c(C1=O)c(Cl)c(c(c2)OCCCC(=O)O)Cl)C1CCCC1" . "CCCCC1(Cc2c(C1=O)c(Cl)c(c(c2)OCCCC(=O)O)Cl)C1CCCC1" . "KHKGTPJPBOQECW-UHFFFAOYSA-N" . "InChI=1S/C22H28Cl2O4/c1-2-3-10-22(15-7-4-5-8-15)13-14-12-16(28-11-6-9-17(25)26)19(23)20(24)18(14)21(22)27/h12,15H,2-11,13H2,1H3,(H,25,26)" . "Clc1cccc(c1)Nc1cc(Cl)ccc1C(=O)O" . "Clc1cccc(c1)Nc1cc(Cl)ccc1C(=O)O" . "GSDQYSSLIKJJOG-UHFFFAOYSA-N" . "InChI=1S/C13H9Cl2NO2/c14-8-2-1-3-10(6-8)16-12-7-9(15)4-5-11(12)13(17)18/h1-7,16H,(H,17,18)" . "O=C1CN(C(=O)N1)N=Cc1ccc(o1)c1ccc(cc1)[N+](=O)[O-]" . "O=C1CN(C(=O)N1)/N=C/c1ccc(o1)c1ccc(cc1)[N+](=O)[O-]" . "OZOMQRBLCMDCEG-VIZOYTHASA-N" . "InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)/b15-7+" . "OCC(C(=O)O)N" . "OC[C@H](C(=O)O)N" . "MTCFGRXMJLQNBG-UWTATZPHSA-N" . "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1" . "OC(=O)C1NCCN(C1)CC=CP(=O)(O)O" . "OC(=O)C1NCCN(C1)C/C=C/P(=O)(O)O" . "VZXMZMJSGLFKQI-ORCRQEGFSA-N" . "InChI=1S/C8H15N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h1,5,7,9H,2-4,6H2,(H,11,12)(H2,13,14,15)/b5-1+" . "OC(=O)C(CCCP(=O)(O)[O-])N" . "OC(=O)[C@@H](CCCP(=O)(O)[O-])N" . "VOROEQBFPPIACJ-SCSAIBSYSA-M" . "InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/p-1/t4-/m1/s1" . "Clc1cc2NC(NS(=O)(=O)c2cc1S(=O)(=O)N)C1CC2CC1C=C2" . "Clc1cc2NC(NS(=O)(=O)c2cc1S(=O)(=O)N)C1CC2CC1C=C2" . "BOCUKUHCLICSIY-UHFFFAOYSA-N" . "InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)" . "O=C(c1ccc2c(c1)OCCO2)N1CCCCC1" . "O=C(c1ccc2c(c1)OCCO2)N1CCCCC1" . "LJUNPHMOGNFFOS-UHFFFAOYSA-N" . "InChI=1S/C14H17NO3/c16-14(15-6-2-1-3-7-15)11-4-5-12-13(10-11)18-9-8-17-12/h4-5,10H,1-3,6-9H2" . "O=C(c1ccc2c(c1)nccn2)N1CCCCC1" . "O=C(c1ccc2c(c1)nccn2)N1CCCCC1" . "ANDGGVOPIJEHOF-UHFFFAOYSA-N" . "InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2" . "Oc1ccc(cc1)C(C(N1CCC(CC1)(O)c1ccccc1)C)O" . "Oc1ccc(cc1)[C@@H]([C@@H](N1CCC(CC1)(O)c1ccccc1)C)O" . "QEMSVZNTSXPFJA-HNAYVOBHSA-N" . "InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3/t15-,19+/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)N)CC(=O)N)CO)NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CN)CCC(=O)O)CC(C(=O)O)C(=O)O)CC(C(=O)O)C(=O)O)CC(C)C)CCC(=O)N)CC(C(=O)O)C(=O)O)CC(=O)N)CCC(=O)N)CC(C(=O)O)C(=O)O)CC(C)C)CCCNC(=N)N)CC(C(=O)O)C(=O)O" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)CCC(=O)O)CC(C(=O)O)C(=O)O)CC(C(=O)O)C(=O)O)CC(C)C)CCC(=O)N)CC(C(=O)O)C(=O)O)CC(=O)N)CCC(=O)N)CC(C(=O)O)C(=O)O)CC(C)C)CCCNC(=N)N)CC(C(=O)O)C(=O)O" . "HTBKFGWATIYCSF-QGXIKSNHSA-N" . "InChI=1S/C88H138N26O44/c1-7-34(6)61(77(138)103-41(12-10-20-98-88(96)97)63(124)107-48(23-35(78(139)140)79(141)142)69(130)100-40(11-8-9-19-89)64(125)113-54(31-115)76(137)104-45(62(95)123)28-57(93)118)114-75(136)47(22-33(4)5)106-70(131)49(24-36(80(143)144)81(145)146)109-67(128)44(14-17-56(92)117)102-74(135)53(29-58(94)119)112-73(134)51(26-38(84(151)152)85(153)154)110-66(127)43(13-16-55(91)116)101-68(129)46(21-32(2)3)105-71(132)52(27-39(86(155)156)87(157)158)111-72(133)50(25-37(82(147)148)83(149)150)108-65(126)42(15-18-60(121)122)99-59(120)30-90/h32-54,61,115H,7-31,89-90H2,1-6H3,(H2,91,116)(H2,92,117)(H2,93,118)(H2,94,119)(H2,95,123)(H,99,120)(H,100,130)(H,101,129)(H,102,135)(H,103,138)(H,104,137)(H,105,132)(H,106,131)(H,107,124)(H,108,126)(H,109,128)(H,110,127)(H,111,133)(H,112,134)(H,113,125)(H,114,136)(H,121,122)(H,139,140)(H,141,142)(H,143,144)(H,145,146)(H,147,148)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H4,96,97,98)/t34-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,61-/m0/s1" . "CCN(CCOc1ccc(cc1)C(=C(c1ccccc1)Cl)c1ccccc1)CC" . "CCN(CCOc1ccc(cc1)C(=C(c1ccccc1)Cl)c1ccccc1)CC" . "GKIRPKYJQBWNGO-UHFFFAOYSA-N" . "InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3" . "S=C1SC(=Cc2ccc(cc2)C(=O)O)C(=O)N1c1cccc(c1)C(F)(F)F" . "S=C1SC(=Cc2ccc(cc2)C(=O)O)C(=O)N1c1cccc(c1)C(F)(F)F" . "JIMHYXZZCWVCMI-UHFFFAOYSA-N" . "InChI=1S/C18H10F3NO3S2/c19-18(20,21)12-2-1-3-13(9-12)22-15(23)14(27-17(22)26)8-10-4-6-11(7-5-10)16(24)25/h1-9H,(H,24,25)" . "Clc1nccc2c1ccc1c2cccc1" . "Clc1nccc2c1ccc1c2cccc1" . "SHQLTRRYZVBEMR-UHFFFAOYSA-N" . "InChI=1S/C13H8ClN/c14-13-12-6-5-9-3-1-2-4-10(9)11(12)7-8-15-13/h1-8H" . "O=C(OC1CCC2(C(C1(C)C)CCC1(C2C(=O)C=C2C1(C)CCC1(C2CC(C)(CC1)C(=O)O)C)C)C)CCC(=O)O" . "O=C(O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C)CCC(=O)O" . "OBZHEBDUNPOCJG-WBXJDKIVSA-N" . "InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21-,23-,24-,27+,30+,31-,32-,33+,34+/m0/s1" . "CCCCCc1cc(O)c(c(c1)O)C1C=C(C)CCC1C(=C)C" . "CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C" . "QHMBSVQNZZTUGM-ZWKOTPCHSA-N" . "InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1" . "NCC=CC(=O)O" . "NC/C=C/C(=O)O" . "FMKJUUQOYOHLTF-UPHRSURJSA-N" . "InChI=1S/C4H7NO2/c5-3-1-2-4(6)7/h1-2H,3,5H2,(H,6,7)/b2-1-" . "CCOc1ccc(cc1)Nc1ccc(cc1)C(=C1C=CC(=[N+](Cc2cccc(c2)S(=O)(=O)[O-])CC)C=C1C)c1ccc(cc1C)N(Cc1ccc(cc1)S(=O)(=O)[O-])CC.[Na+]" . "CCOc1ccc(cc1)Nc1ccc(cc1)/C(=C/1/C=C/C(=[N+](/Cc2cccc(c2)S(=O)(=O)[O-])/CC)/C=C1C)/c1ccc(cc1C)N(Cc1ccc(cc1)S(=O)(=O)[O-])CC.[Na+]" . "NIVDAYXBPZLBDP-UHFFFAOYSA-M" . "InChI=1S/C47H49N3O7S2.Na/c1-6-49(31-35-12-24-43(25-13-35)58(51,52)53)40-20-26-45(33(4)28-40)47(37-14-16-38(17-15-37)48-39-18-22-42(23-19-39)57-8-3)46-27-21-41(29-34(46)5)50(7-2)32-36-10-9-11-44(30-36)59(54,55)56;/h9-30H,6-8,31-32H2,1-5H3,(H2,51,52,53,54,55,56);/q;+1/p-1" . "O=C(c1ncn2c1C1CCCN1C(=O)c1c2cccc1Br)OC(C)(C)C" . "O=C(c1ncn2c1[C@@H]1CCCN1C(=O)c1c2cccc1Br)OC(C)(C)C" . "LWUDDYHYYNNIQI-ZDUSSCGKSA-N" . "InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3/t13-/m0/s1" . "NC(=NCc1ccccc1)NC(=O)c1nc(Cl)c(nc1N)N" . "NC(=NCc1ccccc1)NC(=O)c1nc(Cl)c(nc1N)N" . "KXDROGADUISDGY-UHFFFAOYSA-N" . "InChI=1S/C13H14ClN7O/c14-9-11(16)20-10(15)8(19-9)12(22)21-13(17)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,15,16,20)(H3,17,18,21,22)" . "Oc1n[nH]c2c1CCNC2" . "Oc1n[nH]c2c1CCNC2" . "UPMMUUFLHUEUKP-UHFFFAOYSA-N" . "InChI=1S/C6H9N3O/c10-6-4-1-2-7-3-5(4)8-9-6/h7H,1-3H2,(H2,8,9,10)" . "O=C1SCC(=O)N1C(CCc1ccncc1)COc1ccc(cc1)c1cccc(c1)[N+](=O)[O-]" . "O=C1SCC(=O)N1C(CCc1ccncc1)COc1ccc(cc1)c1cccc(c1)[N+](=O)[O-]" . "VQEHBLGYANQWEA-UHFFFAOYSA-N" . "InChI=1S/C24H21N3O5S/c28-23-16-33-24(29)26(23)21(7-4-17-10-12-25-13-11-17)15-32-22-8-5-18(6-9-22)19-2-1-3-20(14-19)27(30)31/h1-3,5-6,8-14,21H,4,7,15-16H2" . "OC(=O)C(Cc1c(noc1C(C)(C)C)OCP(=O)(O)O)N" . "OC(=O)C(Cc1c(noc1C(C)(C)C)OCP(=O)(O)O)N" . "AGSOOCUNMTYPSE-UHFFFAOYSA-N" . "InChI=1S/C11H19N2O7P/c1-11(2,3)8-6(4-7(12)10(14)15)9(13-20-8)19-5-21(16,17)18/h7H,4-5,12H2,1-3H3,(H,14,15)(H2,16,17,18)" . "[NH3+]C(C(=O)[O-])Cc1c(o[nH]c1=O)C(C)(C)C" . "[NH3+]C(C(=O)[O-])Cc1c(o[nH]c1=O)C(C)(C)C" . "PIXJURSCCVBKRF-UHFFFAOYSA-N" . "InChI=1S/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)" . "CC(=O)Oc1ccccc1C(=O)O" . "CC(=O)Oc1ccccc1C(=O)O" . "BSYNRYMUTXBXSQ-UHFFFAOYSA-N" . "InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)" . "NC(=NCCCC(C(=O)NCCCNCCCNCCCCCNC(=O)C(NC(=O)Cc1ccc(cc1O)O)CC(=O)N)N)N" . "NC(=NCCC[C@@H](C(=O)NCCCNCCCNCCCCCNC(=O)[C@@H](NC(=O)Cc1ccc(cc1O)O)CC(=O)N)N)N" . "FTNICLJXPYLDAH-GOTSBHOMSA-N" . "InChI=1S/C29H52N10O6/c30-22(7-4-15-38-29(32)33)27(44)36-16-6-13-35-12-5-11-34-10-2-1-3-14-37-28(45)23(19-25(31)42)39-26(43)17-20-8-9-21(40)18-24(20)41/h8-9,18,22-23,34-35,40-41H,1-7,10-17,19,30H2,(H2,31,42)(H,36,44)(H,37,45)(H,39,43)(H4,32,33,38)/t22-,23-/m0/s1" . "NC(=NCCCCN=C(N)N)N" . "NC(=NCCCCN=C(N)N)N" . "HGMDNMBBCKDWTQ-UHFFFAOYSA-N" . "InChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)" . "Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O" . "Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O" . "KZNIFHPLKGYRTM-UHFFFAOYSA-N" . "InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H" . "ON=C(C(=Cc1ccc(cc1)Cl)C)C" . "O/N=C(/C(=C/c1ccc(cc1)Cl)/C)/C" . "MHTJEUOFLVQMCL-NJHPPEEMSA-N" . "InChI=1S/C11H12ClNO/c1-8(9(2)13-14)7-10-3-5-11(12)6-4-10/h3-7,14H,1-2H3/b8-7+,13-9+" . "COc1ccc(cc1)C(=O)N1CCCC1=O" . "COc1ccc(cc1)C(=O)N1CCCC1=O" . "ZXNRTKGTQJPIJK-UHFFFAOYSA-N" . "InChI=1S/C12H13NO3/c1-16-10-6-4-9(5-7-10)12(15)13-8-2-3-11(13)14/h4-7H,2-3,8H2,1H3" . "CCCc1c(cc(c(c1c1ccc(cc1)F)C(O)C)C(C)C)C(C)C" . "CCCc1c(cc(c(c1c1ccc(cc1)F)C(O)C)C(C)C)C(C)C" . "VDTWKXAPIQBOMO-UHFFFAOYSA-N" . "InChI=1S/C23H31FO/c1-7-8-19-20(14(2)3)13-21(15(4)5)22(16(6)25)23(19)17-9-11-18(24)12-10-17/h9-16,25H,7-8H2,1-6H3" . "NCCCN(C(=O)c1ccccc1OCc1cccc(c1)C)Cc1cccs1" . "NCCCN(C(=O)c1ccccc1OCc1cccc(c1)C)Cc1cccs1" . "LCQJRANJHOEQFG-UHFFFAOYSA-N" . "InChI=1S/C23H26N2O2S/c1-18-7-4-8-19(15-18)17-27-22-11-3-2-10-21(22)23(26)25(13-6-12-24)16-20-9-5-14-28-20/h2-5,7-11,14-15H,6,12-13,16-17,24H2,1H3" . "OC(=O)C(Cc1c(C)o[nH]c1=O)N" . "OC(=O)C(Cc1c(C)o[nH]c1=O)N" . "UUDAMDVQRQNNHZ-UHFFFAOYSA-N" . "InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)" . "CC(=O)Nc1sc2c(n1)c(ccc2)Oc1ncnc(c1)N1CCN(CC1)C(c1ccc(cc1)F)C" . "CC(=O)Nc1sc2c(n1)c(ccc2)Oc1ncnc(c1)N1CCN(CC1)[C@@H](c1ccc(cc1)F)C" . "QUHZTEMPQQZPNB-MRXNPFEDSA-N" . "InChI=1S/C25H25FN6O2S/c1-16(18-6-8-19(26)9-7-18)31-10-12-32(13-11-31)22-14-23(28-15-27-22)34-20-4-3-5-21-24(20)30-25(35-21)29-17(2)33/h3-9,14-16H,10-13H2,1-2H3,(H,29,30,33)/t16-/m1/s1" . "CC(=O)Nc1sc2c(n1)c(ccc2)Oc1ncnc(c1)c1ccc(cc1)C(F)(F)F" . "CC(=O)Nc1sc2c(n1)c(ccc2)Oc1ncnc(c1)c1ccc(cc1)C(F)(F)F" . "YUTIXVXZQIQWGY-UHFFFAOYSA-N" . "InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)" . "NC12CC3CC(C2)CC(C1)C3" . "NC12CC3CC(C2)CC(C1)C3" . "DKNWSYNQZKUICI-UHFFFAOYSA-N" . "InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2" . "NCCCCN=C(N)N" . "NCCCCN=C(N)N" . "QYPPJABKJHAVHS-UHFFFAOYSA-N" . "InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)" . "COc1cc(C(C)C)c(cc1I)Oc1cnc(nc1N)N" . "COc1cc(C(C)C)c(cc1I)Oc1cnc(nc1N)N" . "AATPYXMXFBBKFO-UHFFFAOYSA-N" . "InChI=1S/C14H17IN4O2/c1-7(2)8-4-11(20-3)9(15)5-10(8)21-12-6-18-14(17)19-13(12)16/h4-7H,1-3H3,(H4,16,17,18,19)" . "OCC1OC(C(C1OC1OC(CO)C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)n1cnc2c1ncnc2N" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)n1cnc2c1ncnc2N" . "RENVITLQVBEFDT-MZQFDOALSA-N" . "InChI=1S/C16H26N5O18P3/c17-13-7-14(19-3-18-13)21(4-20-7)15-12(39-42(31,32)33)9(5(1-22)34-15)36-16-8(24)11(38-41(28,29)30)10(6(2-23)35-16)37-40(25,26)27/h3-6,8-12,15-16,22-24H,1-2H2,(H2,17,18,19)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)/t5-,6-,8-,9-,10-,11-,12-,15-,16-/m1/s1" . "NC(C(=O)O)Cn1cc(C)c(=O)n(c1=O)Cc1cc(sc1C(=O)O)c1ccccc1" . "N[C@H](C(=O)O)Cn1cc(C)c(=O)n(c1=O)Cc1cc(sc1C(=O)O)c1ccccc1" . "LCZDCKMQSBGXAH-AWEZNQCLSA-N" . "InChI=1S/C20H19N3O6S/c1-11-8-22(10-14(21)18(25)26)20(29)23(17(11)24)9-13-7-15(30-16(13)19(27)28)12-5-3-2-4-6-12/h2-8,14H,9-10,21H2,1H3,(H,25,26)(H,27,28)/t14-/m0/s1" . "Clc1cccc(c1Cl)n1nnnc1NCc1ccccc1Oc1ccccn1" . "Clc1cccc(c1Cl)n1nnnc1NCc1ccccc1Oc1ccccn1" . "GMVNBKZQJFRFAR-UHFFFAOYSA-N" . "InChI=1S/C19H14Cl2N6O/c20-14-7-5-8-15(18(14)21)27-19(24-25-26-27)23-12-13-6-1-2-9-16(13)28-17-10-3-4-11-22-17/h1-11H,12H2,(H,23,24,26)" . "N#CNC(=NC(c1ccccc1)C)Nc1cccc2c1cccn2" . "N#CNC(=N[C@H](c1ccccc1)C)Nc1cccc2c1cccn2" . "PQYCRDPLPKGSME-AWEZNQCLSA-N" . "InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m0/s1" . "O=C(Nc1cccc2c1ccnc2)NC1CCc2c1ccc(c2)C(C)(C)C" . "O=C(Nc1cccc2c1ccnc2)N[C@@H]1CCc2c1ccc(c2)C(C)(C)C" . "VPSCJCQPUGKRNC-OAQYLSRUSA-N" . "InChI=1S/C23H25N3O/c1-23(2,3)17-8-9-18-15(13-17)7-10-21(18)26-22(27)25-20-6-4-5-16-14-24-12-11-19(16)20/h4-6,8-9,11-14,21H,7,10H2,1-3H3,(H2,25,26,27)/t21-/m1/s1" . "N#CNC(=NC(C(C)(C)C)NC(=O)Cc1ccc(c(c1)OC)OC)Nc1cccc2c1cccn2" . "N#CN/C(=N/C(C(C)(C)C)NC(=O)Cc1ccc(c(c1)OC)OC)/Nc1cccc2c1cccn2" . "PUHSRMSFDASMAE-UHFFFAOYSA-N" . "InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32)" . "Clc1c(Cl)cccc1c1nnnn1Cc1cccnc1" . "Clc1c(Cl)cccc1c1nnnn1Cc1cccnc1" . "MMPAULQSJLVKHP-UHFFFAOYSA-N" . "InChI=1S/C13H9Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7H,8H2" . "O=C(Nc1cccc2c1ccnc2)NCc1ccc(cc1)C(F)(F)F" . "O=C(Nc1cccc2c1ccnc2)NCc1ccc(cc1)C(F)(F)F" . "SJGVXVZUSQLLJB-UHFFFAOYSA-N" . "InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25)" . "NC(=N)c1ccc2c(c1)ccc(c2)C1CC1c1ccc2c(c1)C(C(C)C)N(CC2)C" . "NC(=N)c1ccc2c(c1)ccc(c2)C1CC1c1ccc2c(c1)C(C(C)C)N(CC2)C" . "FEPIUXBUJVISNN-UHFFFAOYSA-N" . "InChI=1S/C27H31N3/c1-16(2)26-25-14-21(7-4-17(25)10-11-30(26)3)24-15-23(24)20-8-5-19-13-22(27(28)29)9-6-18(19)12-20/h4-9,12-14,16,23-24,26H,10-11,15H2,1-3H3,(H3,28,29)" . "O=C(c1cc(C(=O)O)c(cc1C(=O)O)C(=O)O)N(C1CCCc2c1cccc2)Cc1cccc(c1)Oc1ccccc1" . "O=C(c1cc(C(=O)O)c(cc1C(=O)O)C(=O)O)N([C@H]1CCCc2c1cccc2)Cc1cccc(c1)Oc1ccccc1" . "VQGBOYBIENNKMI-LJAQVGFWSA-N" . "InChI=1S/C33H27NO8/c35-30(25-17-27(32(38)39)28(33(40)41)18-26(25)31(36)37)34(29-15-7-10-21-9-4-5-14-24(21)29)19-20-8-6-13-23(16-20)42-22-11-2-1-3-12-22/h1-6,8-9,11-14,16-18,29H,7,10,15,19H2,(H,36,37)(H,38,39)(H,40,41)/t29-/m0/s1" . "OC1COC2C(C1)OC(C2)(CC(C(=O)[O-])[NH3+])C(=O)[O-]" . "O[C@@H]1COC2C(C1)O[C@@](C2)(C[C@@H](C(=O)[O-])[NH3+])C(=O)[O-]" . "JVLNPAVKDNEYGY-SCTSMQQKSA-M" . "InChI=1S/C11H17NO7/c12-6(9(14)15)2-11(10(16)17)3-8-7(19-11)1-5(13)4-18-8/h5-8,13H,1-4,12H2,(H,14,15)(H,16,17)/p-1/t5-,6-,7?,8?,11+/m0/s1" . "Cc1ccc(c(c1)O)C(C)(C)C" . "Cc1ccc(c(c1)O)C(C)(C)C" . "XOUQAVYLRNOXDO-UHFFFAOYSA-N" . "InChI=1S/C11H16O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h5-7,12H,1-4H3" . "COc1cc(CNC(=O)CCCCCC(C)C)c(cc1O)I" . "COc1cc(CNC(=O)CCCCCC(C)C)c(cc1O)I" . "MGJQSBQUFTWMOG-UHFFFAOYSA-N" . "InChI=1S/C17H26INO3/c1-12(2)7-5-4-6-8-17(21)19-11-13-9-16(22-3)15(20)10-14(13)18/h9-10,12,20H,4-8,11H2,1-3H3,(H,19,21)" . "COc1cc(CC(=O)OCC2=CC3C4OC5(OC3(C3C(C2)(O)C(=O)C(=C3)C)C(CC4(O5)C(=C)C)C)Cc2ccccc2)cc(c1O)I" . "COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(O[C@]3([C@H]3[C@@](C2)(O)C(=O)C(=C3)C)[C@@H](C[C@@]4(O5)C(=C)C)C)Cc2ccccc2)cc(c1O)I" . "TZUJORCXGLGWDV-DZBJMWFRSA-N" . "InChI=1S/C37H39IO9/c1-20(2)35-16-22(4)37-26(33(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)12-25(17-34(42)29(37)11-21(3)32(34)41)19-44-30(39)15-24-13-27(38)31(40)28(14-24)43-5/h6-14,22,26,29,33,40,42H,1,15-19H2,2-5H3/t22-,26+,29-,33-,34-,35-,36-,37-/m1/s1" . "OC1CCC2(C(C1)CCC1C2CCC2(C1CCC2C(=O)C)C)C" . "O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C" . "AURFZBICLPNKBZ-SYBPFIFISA-N" . "InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1" . "Cc1nc[nH]c1CC(=O)O" . "Cc1nc[nH]c1CC(=O)O" . "BINCHKHDIQXADS-UHFFFAOYSA-N" . "InChI=1S/C6H8N2O2/c1-4-5(2-6(9)10)8-3-7-4/h3H,2H2,1H3,(H,7,8)(H,9,10)" . "CCCCCC(=O)OC1C(C)C2(O)C(C3C1(OC(=O)CCCCC)C3(C)C)C=C(CC1(C2C=C(C1=O)C)O)CO" . "CCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@H]([C@H]3[C@]1(OC(=O)CCCCC)C3(C)C)C=C(C[C@@]1([C@H]2C=C(C1=O)C)O)CO" . "XGPRSRGBAHBMAF-QYSBVNMQSA-N" . "InChI=1S/C32H48O8/c1-7-9-11-13-24(34)39-28-20(4)31(38)22(16-21(18-33)17-30(37)23(31)15-19(3)27(30)36)26-29(5,6)32(26,28)40-25(35)14-12-10-8-2/h15-16,20,22-23,26,28,33,37-38H,7-14,17-18H2,1-6H3/t20-,22+,23-,26-,28-,30+,31-,32-/m1/s1" . "OC(=O)C(Cc1ccccc1)Oc1ccc(cc1)Cl" . "OC(=O)C(Cc1ccccc1)Oc1ccc(cc1)Cl" . "CPBLTMSKPQDJPW-UHFFFAOYSA-N" . "InChI=1S/C15H13ClO3/c16-12-6-8-13(9-7-12)19-14(15(17)18)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)" . "OCCCCCC=CCC=CCC=CCC=CCCCC(=O)O" . "OCCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O" . "NNDIXBJHNLFJJP-DTLRTWKJSA-N" . "InChI=1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12,21H,2,5,8,11,13-19H2,(H,22,23)/b3-1-,6-4-,9-7-,12-10-" . "[O-]C(=O)C(CC1(CC2C(O1)C(O)C(CO2)O)C(=O)[O-])[NH3+]" . "[O-]C(=O)[C@@H](C[C@@]1(CC2C(O1)[C@@H](O)[C@H](CO2)O)C(=O)[O-])[NH3+]" . "NRTJEXLNSCGBJU-LUHIGIFZSA-M" . "InChI=1S/C11H17NO8/c12-4(9(15)16)1-11(10(17)18)2-6-8(20-11)7(14)5(13)3-19-6/h4-8,13-14H,1-3,12H2,(H,15,16)(H,17,18)/p-1/t4-,5+,6?,7+,8?,11-/m1/s1" . "CCCCCC(=O)c1c(O)cc(c(c1O)C(=O)CCCCC)O" . "CCCCCC(=O)c1c(O)cc(c(c1O)C(=O)CCCCC)O" . "JRHOSBCIYWDGHN-UHFFFAOYSA-N" . "InChI=1S/C18H26O5/c1-3-5-7-9-12(19)16-14(21)11-15(22)17(18(16)23)13(20)10-8-6-4-2/h11,21-23H,3-10H2,1-2H3" . "C=CC1(C)CC(=O)C2C(O1)(C)C(OC(=O)C)C(C1C2(C)CCCC1(C)C)O" . "C=C[C@@]1(C)CC(=O)[C@H]2[C@@](O1)(C)[C@@H](OC(=O)C)[C@H]([C@@H]1[C@]2(C)CCCC1(C)C)O" . "ZKZMDXUDDJYAIB-SUCLLAFCSA-N" . "InChI=1S/C22H34O5/c1-8-20(5)12-14(24)16-21(6)11-9-10-19(3,4)17(21)15(25)18(26-13(2)23)22(16,7)27-20/h8,15-18,25H,1,9-12H2,2-7H3/t15-,16+,17-,18-,20-,21+,22-/m0/s1" . "CCCCP(=O)(C1CCC(C1)N)O" . "CCCCP(=O)([C@@H]1CC[C@H](C1)N)O" . "UQGQAMARAMOEID-RKDXNWHRSA-N" . "InChI=1S/C9H20NO2P/c1-2-3-6-13(11,12)9-5-4-8(10)7-9/h8-9H,2-7,10H2,1H3,(H,11,12)/t8-,9-/m1/s1" . "CC(C(=O)O)Oc1ccc(cc1)Cl" . "CC(C(=O)O)Oc1ccc(cc1)Cl" . "DKHJWWRYTONYHB-UHFFFAOYSA-N" . "InChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)" . "CCC(C(=O)O)Oc1ccc(cc1)Cl" . "CCC(C(=O)O)Oc1ccc(cc1)Cl" . "CEJKAKCQVUWNNA-UHFFFAOYSA-N" . "InChI=1S/C10H11ClO3/c1-2-9(10(12)13)14-8-5-3-7(11)4-6-8/h3-6,9H,2H2,1H3,(H,12,13)" . "CCCCP(=O)(C1CCC(C1)N)O" . "CCCCP(=O)([C@@H]1CC[C@@H](C1)N)O" . "UQGQAMARAMOEID-DTWKUNHWSA-N" . "InChI=1S/C9H20NO2P/c1-2-3-6-13(11,12)9-5-4-8(10)7-9/h8-9H,2-7,10H2,1H3,(H,11,12)/t8-,9+/m0/s1" . "Cn1nnc(c1)COc1nn2c(nnc2c2c1cccc2)c1noc(c1)C" . "Cn1nnc(c1)COc1nn2c(nnc2c2c1cccc2)c1noc(c1)C" . "NZMJFRXKGUCYNP-UHFFFAOYSA-N" . "InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-24(2)23-18-11/h3-8H,9H2,1-2H3" . "COc1ccc(cc1)c1cc(C(=O)OC)c(=O)n(c1c1ccncc1)C" . "COc1ccc(cc1)c1cc(C(=O)OC)c(=O)n(c1c1ccncc1)C" . "LENMNEQXCQXJHV-UHFFFAOYSA-N" . "InChI=1S/C20H18N2O4/c1-22-18(14-8-10-21-11-9-14)16(12-17(19(22)23)20(24)26-3)13-4-6-15(25-2)7-5-13/h4-12H,1-3H3" . "COc1cc(N)c(cc1C(=O)NC1CN2CCC1CC2)Cl" . "C([3H])(Oc1cc(N)c(cc1C(=O)N[C@@H]1CN2CCC1CC2)Cl)([3H])[3H]" . "FEROPKNOYKURCJ-RYASAWMLSA-N" . "InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m1/s1/i1T3" . "OC1C(COP(=O)(CP(=O)(OP(=O)(O)O)O)O)OC(C1O)n1cnc2c1ncnc2N" . "O[C@@H]1[C@@H](COP(=O)(CP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N" . "CAWZRIXWFRFUQB-IOSLPCCCSA-N" . "InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1" . "NC(C(=O)O)Cn1cc(C)c(=O)n(c1=O)Cc1ccsc1C(=O)O" . "N[C@H](C(=O)O)Cn1cc(C)c(=O)n(c1=O)Cc1ccsc1C(=O)O" . "ZTAZUCRXCRXNSU-VIFPVBQESA-N" . "InChI=1S/C14H15N3O6S/c1-7-4-16(6-9(15)12(19)20)14(23)17(11(7)18)5-8-2-3-24-10(8)13(21)22/h2-4,9H,5-6,15H2,1H3,(H,19,20)(H,21,22)/t9-/m0/s1" . "COc1cc(ccc1O)CC(=O)OCC1=CC2C3OC4(OC2(C2C(C1)(O)C(=O)C(=C2)C)C(CC3(O4)C(=C)C)C)Cc1ccccc1" . "COc1cc(ccc1O)CC(=O)OCC1=C[C@H]2[C@H]3O[C@]4(O[C@]2([C@H]2[C@@](C1)(O)C(=O)C(=C2)C)[C@@H](C[C@@]3(O4)C(=C)C)C)Cc1ccccc1" . "DSDNAKHZNJAGHN-MXTYGGKSSA-N" . "InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36-,37-/m1/s1" . "NCc1cc(=O)[nH]o1" . "NCc1cc(=O)[nH]o1" . "ZJQHPWUVQPJPQT-UHFFFAOYSA-N" . "InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)" . "CC12NC(c3c2cccc3)Cc2c1cccc2" . "CC12NC(c3c2cccc3)Cc2c1cccc2" . "LBOJYSIDWZQNJS-UHFFFAOYSA-N" . "InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3" . "Clc1cc(Cl)c2c(c1)[nH]c(c2C=C(c1ccccc1)C(=O)O)C(=O)O" . "Clc1cc(Cl)c2c(c1)[nH]c(c2C=C(c1ccccc1)C(=O)O)C(=O)O" . "LPWVUDLZUVBQGP-UHFFFAOYSA-N" . "InChI=1S/C18H11Cl2NO4/c19-10-6-13(20)15-12(16(18(24)25)21-14(15)7-10)8-11(17(22)23)9-4-2-1-3-5-9/h1-8,21H,(H,22,23)(H,24,25)" . "CN1C2CCC1CC(C2)NC(=O)c1nn(c2c1cccc2)C" . "CN1[C@@H]2CC[C@H]1CC(C2)NC(=O)c1nn(c2c1cccc2)C" . "DDHAJFBBJWHSBR-YHWZYXNKSA-N" . "InChI=1S/C17H22N4O/c1-20-12-7-8-13(20)10-11(9-12)18-17(22)16-14-5-3-4-6-15(14)21(2)19-16/h3-6,11-13H,7-10H2,1-2H3,(H,18,22)/t11?,12-,13+" . "O=C(NC1CC(Nc2c1c(Cl)cc(c2)Cl)C(=O)O)Nc1ccccc1" . "O=C(N[C@@H]1C[C@H](Nc2c1c(Cl)cc(c2)Cl)C(=O)O)Nc1ccccc1" . "UCKHICKHGAOGAP-KGLIPLIRSA-N" . "InChI=1S/C17H15Cl2N3O3/c18-9-6-11(19)15-12(7-9)21-14(16(23)24)8-13(15)22-17(25)20-10-4-2-1-3-5-10/h1-7,13-14,21H,8H2,(H,23,24)(H2,20,22,25)/t13-,14+/m1/s1" . "[O-]C(=O)CC1C(CNC1C(=O)[O-])C(=C)C" . "[O-]C(=O)C[C@H]1[C@H](CN[C@@H]1C(=O)[O-])C(=C)C" . "VLSMHEGGTFMBBZ-OOZYFLPDSA-L" . "InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/p-2/t6-,7+,9-/m0/s1" . "NCC(=O)O" . "NCC(=O)O" . "DHMQDGOQFOQNFH-UHFFFAOYSA-N" . "InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)" . "COc1ccc(cc1)c1ccc(=N)n(n1)CCCC(=O)O" . "COc1ccc(cc1)c1ccc(=N)n(n1)CCCC(=O)O" . "ACVGNKYJVGNLIL-UHFFFAOYSA-N" . "InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)" . "OC(=O)C1NCCN(C1)CCCP(=O)(O)O" . "OC(=O)C1NCCN(C1)CCCP(=O)(O)O" . "CUVGUPIVTLGRGI-UHFFFAOYSA-N" . "InChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)" . "N#Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-]" . "N#Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-]" . "RPXVIAFEQBNEAX-UHFFFAOYSA-N" . "InChI=1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15)" . "OC(=O)C1NCCC(C1)CP(=O)(O)O" . "OC(=O)C1NCCC(C1)CP(=O)(O)O" . "LPMRCCNDNGONCD-UHFFFAOYSA-N" . "InChI=1S/C7H14NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h5-6,8H,1-4H2,(H,9,10)(H2,11,12,13)" . "[N-]=[N+]=Nc1ccc(cc1)CC(=O)NC1CC(Nc2c1c(Cl)cc(c2)Cl)C(=O)O" . "[N-]=[N+]=Nc1ccc(cc1)CC(=O)NC1CC(Nc2c1c(Cl)cc(c2)Cl)C(=O)O" . "OVAIIHUWSLJJPO-UHFFFAOYSA-N" . "InChI=1S/C18H15Cl2N5O3/c19-10-6-12(20)17-13(7-10)22-15(18(27)28)8-14(17)23-16(26)5-9-1-3-11(4-2-9)24-25-21/h1-4,6-7,14-15,22H,5,8H2,(H,23,26)(H,27,28)" . "CCCC(=CC(C(=O)O)N)CP(=O)(O)O" . "CCCC(=CC(C(=O)O)N)CP(=O)(O)O" . "ZEFQYTSQDVUMEU-UHFFFAOYSA-N" . "InChI=1S/C8H16NO5P/c1-2-3-6(5-15(12,13)14)4-7(9)8(10)11/h4,7H,2-3,5,9H2,1H3,(H,10,11)(H2,12,13,14)" . "OC(=O)C(Cc1c(C)o[nH]c1=O)N" . "OC(=O)C(Cc1c(C)o[nH]c1=O)N" . "UUDAMDVQRQNNHZ-UHFFFAOYSA-N" . "InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)" . "O=C(Nc1cccc2c1ccnc2)NC1CCc2c1ccc(c2)C(C)(C)C" . "O=C(Nc1c([3H])cc(c2c1ccnc2)[3H])N[C@@H]1CCc2c1ccc(c2)C(C)(C)C" . "VPSCJCQPUGKRNC-ZVVBTKFUSA-N" . "InChI=1S/C23H25N3O/c1-23(2,3)17-8-9-18-15(13-17)7-10-21(18)26-22(27)25-20-6-4-5-16-14-24-12-11-19(16)20/h4-6,8-9,11-14,21H,7,10H2,1-3H3,(H2,25,26,27)/t21-/m1/s1/i5T,6T" . "[O-]C(=O)C(CC(C(=O)[O-])N)C" . "[O-]C(=O)[C@@H](C[C@@H](C(=O)[O-])N)C" . "KRKRAOXTGDJWNI-DMTCNVIQSA-L" . "InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/p-2/t3-,4+/m1/s1" . "Oc1ccc(cc1)c1oc2c(n1)cc(cc2Br)O" . "Oc1ccc(cc1)c1oc2c(n1)cc(cc2Br)O" . "BAAILVWEAXFTSF-UHFFFAOYSA-N" . "InChI=1S/C13H8BrNO3/c14-10-5-9(17)6-11-12(10)18-13(15-11)7-1-3-8(16)4-2-7/h1-6,16-17H" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)C(O)C)CCCCN)C(O)C)CCCCN)C(C)C)CS)C(C)C)CCC(=O)O)Cc1ccccc1)CO)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCCN1C(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(CCC(=O)O)N)CC(=O)O)CS)CCCCN)CCCCN)CS)CC(=O)N)CCCN=C(N)N)Cc1nc[nH]c1)CC(=O)O)CS)CS)CCC(=O)O)CC(C)C)CCC(=O)O)CS" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)CCCCN)[C@H](O)C)CCCCN)C(C)C)CS)C(C)C)CCC(=O)O)Cc1ccccc1)CO)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)N)CC(=O)O)CS)CCCCN)CCCCN)CS)CC(=O)N)CCCN=C(N)N)Cc1nc[nH]c1)CC(=O)O)CS)CS)CCC(=O)O)CC(C)C)CCC(=O)O)CS" . "KUGGGQKBZWWKLY-ACYSAVFESA-N" . "InChI=1S/C200H318N62O57S6/c1-13-102(10)157(257-187(309)139(95-324)251-180(302)133(83-153(280)281)242-160(282)111(206)56-60-148(270)271)194(316)261-74-36-54-142(261)189(311)239-116(46-23-28-66-203)167(289)244-128(78-106-84-221-112-42-19-17-40-109(106)112)176(298)230-114(44-21-26-64-201)161(283)223-89-147(269)229-135(91-320)185(307)255-154(99(4)5)191(313)247-131(81-144(207)266)178(300)235-121(51-33-71-219-199(212)213)168(290)246-130(80-108-86-216-97-226-108)163(285)225-88-146(268)228-132(82-152(278)279)179(301)250-138(94-323)184(306)252-136(92-321)182(304)236-123(57-61-149(272)273)162(284)224-87-145(267)227-126(76-98(2)3)174(296)237-124(58-62-150(274)275)170(292)249-137(93-322)183(305)245-129(79-107-85-222-113-43-20-18-41-110(107)113)177(299)234-115(45-22-27-65-202)164(286)231-119(49-31-69-217-197(208)209)165(287)232-120(50-32-70-218-198(210)211)166(288)233-122(52-34-72-220-200(214)215)169(291)248-134(90-263)181(303)243-127(77-105-38-15-14-16-39-105)175(297)238-125(59-63-151(276)277)173(295)254-155(100(6)7)192(314)253-140(96-325)186(308)256-156(101(8)9)193(315)260-73-35-53-141(260)188(310)240-117(47-24-29-67-204)171(293)258-158(103(11)264)195(317)262-75-37-55-143(262)190(312)241-118(48-25-30-68-205)172(294)259-159(104(12)265)196(318)319/h14-20,38-43,84-86,97-104,111,114-143,154-159,221-222,263-265,320-325H,13,21-37,44-83,87-96,201-206H2,1-12H3,(H2,207,266)(H,216,226)(H,223,283)(H,224,284)(H,225,285)(H,227,267)(H,228,268)(H,229,269)(H,230,298)(H,231,286)(H,232,287)(H,233,288)(H,234,299)(H,235,300)(H,236,304)(H,237,296)(H,238,297)(H,239,311)(H,240,310)(H,241,312)(H,242,282)(H,243,303)(H,244,289)(H,245,305)(H,246,290)(H,247,313)(H,248,291)(H,249,292)(H,250,301)(H,251,302)(H,252,306)(H,253,314)(H,254,295)(H,255,307)(H,256,308)(H,257,309)(H,258,293)(H,259,294)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,318,319)(H4,208,209,217)(H4,210,211,218)(H4,212,213,219)(H4,214,215,220)/t102-,103+,104+,111-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,154-,155-,156-,157-,158-,159-/m0/s1" . "CC(=CCCC(CCCc1cocc1)(O)C)CCCC(C=C1OC(=O)C(=C1O)C)C" . "C/C(=C/CCC(CCCc1cocc1)(O)C)/CCC[C@@H](/C=C/1/OC(=O)C(=C1O)C)C" . "QFBUNOKEKXMSCV-UYYPKTQPSA-N" . "InChI=1S/C25H36O5/c1-18(8-5-9-19(2)16-22-23(26)20(3)24(27)30-22)10-6-13-25(4,28)14-7-11-21-12-15-29-17-21/h10,12,15-17,19,26,28H,5-9,11,13-14H2,1-4H3/b18-10+,22-16-/t19-,25?/m0/s1" . "OC(=O)C(Cn1cc(I)c(=O)[nH]c1=O)N" . "OC(=O)[C@H](Cn1cc(I)c(=O)[nH]c1=O)N" . "AXXYLTBQIQBTES-BYPYZUCNSA-N" . "InChI=1S/C7H8IN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1" . "OC(=O)C(Cn1cc(F)c(=O)[nH]c1=O)N" . "OC(=O)[C@H](Cn1cc(F)c(=O)[nH]c1=O)N" . "DBWPFHJYSTVBCZ-BYPYZUCNSA-N" . "InChI=1S/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1" . "OC(=O)C(CC1=CCCCc2c1c(O)no2)N" . "OC(=O)[C@H](CC1=CCCCc2c1c(O)no2)N" . "HJEPOXZLPHUVFE-ZETCQYMHSA-N" . "InChI=1S/C11H14N2O4/c12-7(11(15)16)5-6-3-1-2-4-8-9(6)10(14)13-17-8/h3,7H,1-2,4-5,12H2,(H,13,14)(H,15,16)/t7-/m0/s1" . "OC(=O)C(c1nnn[nH]1)N" . "OC(=O)C(c1nnn[nH]1)N" . "UKBRUIZWQZHXFL-UHFFFAOYSA-N" . "InChI=1S/C3H5N5O2/c4-1(3(9)10)2-5-7-8-6-2/h1H,4H2,(H,9,10)(H,5,6,7,8)" . "NCC1CC1C(=O)O" . "NCC1CC1C(=O)O" . "QUFMERRXRMSAPZ-UHFFFAOYSA-N" . "InChI=1S/C5H9NO2/c6-2-3-1-4(3)5(7)8/h3-4H,1-2,6H2,(H,7,8)" . "O=C1C(N)CCN1O" . "O=C1[C@H](N)CCN1O" . "HCKUBNLZMKAEIN-GSVOUGTGSA-N" . "InChI=1S/C4H8N2O2/c5-3-1-2-6(8)4(3)7/h3,8H,1-2,5H2/t3-/m1/s1" . "COC(=O)C1=C(C)NC(=C(C1c1ccccc1C(F)(F)F)[N+](=O)[O-])C" . "COC(=O)C1=C(C)NC(=C([C@H]1c1ccccc1C(F)(F)F)[N+](=O)[O-])C" . "ZFLWDHHVRRZMEI-ZDUSSCGKSA-N" . "InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,20H,1-3H3/t13-/m0/s1" . "CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC(C(=O)O)N)O)O" . "CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OC[C@@H](C(=O)O)N)O)O" . "ZPDQFUYPBVXUKS-YADHBBJMSA-N" . "InChI=1S/C24H48NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h21-22,26H,2-20,25H2,1H3,(H,28,29)(H,30,31)/t21-,22+/m1/s1" . "OC(=O)c1ccc2c(c1)ccc(c2)C1(SCCS1)c1ccc2c(c1)C(C)(C)CCC2(C)C" . "OC(=O)c1ccc2c(c1)ccc(c2)C1(SCCS1)c1ccc2c(c1)C(C)(C)CCC2(C)C" . "DPVGXUNWCVEIGT-UHFFFAOYSA-N" . "InChI=1S/C28H30O2S2/c1-26(2)11-12-27(3,4)24-17-22(9-10-23(24)26)28(31-13-14-32-28)21-8-7-18-15-20(25(29)30)6-5-19(18)16-21/h5-10,15-17H,11-14H2,1-4H3,(H,29,30)" . "O=C(c1ccc(cc1)[N+](=O)[O-])Nc1cc(nn1c1ccccc1F)c1ccccc1" . "O=C(c1ccc(cc1)[N+](=O)[O-])Nc1cc(nn1c1ccccc1F)c1ccccc1" . "BRAZLURTFMCAHU-UHFFFAOYSA-N" . "InChI=1S/C22H15FN4O3/c23-18-8-4-5-9-20(18)26-21(14-19(25-26)15-6-2-1-3-7-15)24-22(28)16-10-12-17(13-11-16)27(29)30/h1-14H,(H,24,28)" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)O)Cc1ccc(cc1)O)CCCNC(=N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)CNC(=O)C(C(C)C)N)CCCNC(=N)N)CCC(=O)O)CCSC)CC(=O)O)Cc1ccc(cc1)O)CCC(=O)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)Cc1ccc(cc1)O)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@H](C(C)C)N)CCCNC(=N)N)CCC(=O)O)CCSC)CC(=O)O)Cc1ccc(cc1)O)CCC(=O)N" . "GOEYECACIBFJGZ-NPAGUKBMSA-N" . "InChI=1S/C91H127N25O23S/c1-48(2)76(94)88(138)103-46-72(120)105-64(19-11-36-100-91(97)98)89(139)116-37-12-20-70(116)87(137)110-62(30-32-73(121)122)81(131)113-68(42-52-45-102-58-16-7-5-14-56(52)58)85(135)114-67(41-51-44-101-57-15-6-4-13-55(51)57)84(134)109-63(33-38-140-3)82(132)115-69(43-74(123)124)86(136)112-66(40-50-23-27-54(118)28-24-50)83(133)108-61(29-31-71(93)119)80(130)106-59(17-8-9-34-92)78(128)107-60(18-10-35-99-90(95)96)79(129)111-65(77(127)104-47-75(125)126)39-49-21-25-53(117)26-22-49/h4-7,13-16,21-28,44-45,48,59-70,76,101-102,117-118H,8-12,17-20,29-43,46-47,92,94H2,1-3H3,(H2,93,119)(H,103,138)(H,104,127)(H,105,120)(H,106,130)(H,107,128)(H,108,133)(H,109,134)(H,110,137)(H,111,129)(H,112,136)(H,113,131)(H,114,135)(H,115,132)(H,121,122)(H,123,124)(H,125,126)(H4,95,96,99)(H4,97,98,100)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,76-/m0/s1" . "CCCCCCCCc1ccc(cc1)c1ccc(cc1)C(=O)O" . "CCCCCCCCc1ccc(cc1)c1ccc(cc1)C(=O)O" . "HXBKPYIEQLLNBK-UHFFFAOYSA-N" . "InChI=1S/C21H26O2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(16-14-19)21(22)23/h9-16H,2-8H2,1H3,(H,22,23)" . "CCCCOCCOc1nc(sc1C)c1ccc(c(c1)F)C(=O)O" . "CCCCOCCOc1nc(sc1C)c1ccc(c(c1)F)C(=O)O" . "HSAOETBFVAWNRP-UHFFFAOYSA-N" . "InChI=1S/C17H20FNO4S/c1-3-4-7-22-8-9-23-15-11(2)24-16(19-15)12-5-6-13(17(20)21)14(18)10-12/h5-6,10H,3-4,7-9H2,1-2H3,(H,20,21)" . "OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C" . "OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)/C)/C" . "FPIPGXGPPPQFEQ-OVSJKPMPSA-N" . "InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+" . "CC(=C)C1C2OC(=O)C1C1(C3(C2OC(=O)C23C(C1)O2)C)O.O=C1OC2C(C1C1(O)CC3C4(C1(C2OC4=O)C)O3)C(O)(C)C" . "CC(=C)[C@@H]1C2OC(=O)C1[C@]1([C@]3([C@@H]2OC(=O)[C@]23C(C1)O2)C)O.O=C1OC2[C@H](C1[C@]1(O)C[C@@H]3[C@]4([C@@]1([C@@H]2OC4=O)C)O3)C(O)(C)C" . "VJKUPQSHOVKBCO-ZTYBEOBUSA-N" . "InChI=1S/C15H18O7.C15H16O6/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9;1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h5-9,18-19H,4H2,1-3H3;6-10,18H,1,4H2,2-3H3/t5-,6+,7?,8?,9-,13-,14-,15+;6?,7-,8?,9?,10+,13+,14+,15-/m10/s1" . "CCOc1c(OCC)cc2c(c1F)C(=N)N(C2)CC(=O)c1cc(N2CCOCC2)c(c(c1)C(C)(C)C)OC" . "CCOc1c(OCC)cc2c(c1F)C(=N)N(C2)CC(=O)c1cc(N2CCOCC2)c(c(c1)C(C)(C)C)OC" . "QWKAUGRRIXBIPO-UHFFFAOYSA-N" . "InChI=1S/C29H38FN3O5/c1-7-37-23-15-19-16-33(28(31)24(19)25(30)27(23)38-8-2)17-22(34)18-13-20(29(3,4)5)26(35-6)21(14-18)32-9-11-36-12-10-32/h13-15,31H,7-12,16-17H2,1-6H3" . "CCOC(=O)NC1CCC2C(C1)CC1C(C2C=Cc2ccc(cn2)c2cccc(c2)F)C(OC1=O)C" . "CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]1[C@H]([C@H]2/C=C/c2ccc(cn2)c2cccc(c2)F)[C@H](OC1=O)C" . "ZBGXUVOIWDMMJE-QHNZEKIYSA-N" . "InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/b12-9+/t17-,20+,23-,24-,25+,26-,27+/m1/s1" . "[Na]OP(=O)(Cc1cc(ccc1NC(=O)c1ccc(c(c1)NC(=O)c1cccc(c1)NC(=O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(cc1CP(=O)(O[Na])O)CP(=O)(O[Na])O)C)CP(=O)(O[Na])O)O" . "[Na]OP(=O)(Cc1cc(ccc1NC(=O)c1ccc(c(c1)NC(=O)c1cccc(c1)NC(=O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(cc1CP(=O)(O[Na])O)CP(=O)(O[Na])O)C)CP(=O)(O[Na])O)O" . "GSMUPMANKNAMAS-UHFFFAOYSA-J" . "InChI=1S/C47H48N6O17P4.4Na/c1-27-9-13-33(45(56)50-39-15-11-29(23-71(59,60)61)17-35(39)25-73(65,66)67)21-41(27)52-43(54)31-5-3-7-37(19-31)48-47(58)49-38-8-4-6-32(20-38)44(55)53-42-22-34(14-10-28(42)2)46(57)51-40-16-12-30(24-72(62,63)64)18-36(40)26-74(68,69)70;;;;/h3-22H,23-26H2,1-2H3,(H,50,56)(H,51,57)(H,52,54)(H,53,55)(H2,48,49,58)(H2,59,60,61)(H2,62,63,64)(H2,65,66,67)(H2,68,69,70);;;;/q;4*+1/p-4" . "OC1C(O)C(OC1n1ccc(=NOCCCc2ccccc2)[nH]c1=O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O" . "O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cc/c(=N/OCCCc2ccccc2)/[nH]c1=O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O" . "FAYLMQPZASAIOS-MWQQHZPXSA-N" . "InChI=1S/C18H26N3O15P3/c22-15-13(11-33-38(28,29)36-39(30,31)35-37(25,26)27)34-17(16(15)23)21-9-8-14(19-18(21)24)20-32-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,13,15-17,22-23H,4,7,10-11H2,(H,28,29)(H,30,31)(H,19,20,24)(H2,25,26,27)/t13-,15-,16-,17-/m1/s1" . "CC1C(COP(=O)(OP(=O)(OP(=O)(OP(=O)(Oc2ccccc2)O)O)O)O)OC(C1C)n1ccc(=O)[nH]c1=O" . "C[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(OP(=O)(Oc2ccccc2)O)O)O)O)O[C@H]([C@@H]1C)n1ccc(=O)[nH]c1=O" . "ACRDMMYBLHHSSD-KLZCAUPSSA-N" . "InChI=1S/C17H24N2O16P4/c1-11-12(2)16(19-9-8-15(20)18-17(19)21)31-14(11)10-30-36(22,23)33-38(26,27)35-39(28,29)34-37(24,25)32-13-6-4-3-5-7-13/h3-9,11-12,14,16H,10H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)(H,28,29)(H,18,20,21)/t11-,12+,14+,16+/m0/s1" . "Fc1ccc(cc1)CC(C(=O)O)NC(=O)OCc1cc2c(o1)ccc(c2)c1ccc(cc1)F" . "Fc1ccc(cc1)CC(C(=O)O)NC(=O)OCc1cc2c(o1)ccc(c2)c1ccc(cc1)F" . "IDONYPMIPXYFLY-UHFFFAOYSA-N" . "InChI=1S/C25H19F2NO5/c26-19-6-1-15(2-7-19)11-22(24(29)30)28-25(31)32-14-21-13-18-12-17(5-10-23(18)33-21)16-3-8-20(27)9-4-16/h1-10,12-13,22H,11,14H2,(H,28,31)(H,29,30)" . "OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C" . "OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C" . "QJZQFVRFJCGDKF-UHFFFAOYSA-N" . "InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)" . "CCN1C(=O)N2C(=CC(c3c(C2)cc(OC)cc3OC)C)C21CCN(CC2)Cc1cc(C)cc(c1)C" . "CCN1C(=O)N2C(=C[C@@H](c3c(C2)cc(OC)cc3OC)C)C21CCN(CC2)Cc1cc(C)cc(c1)C" . "ANKFBAJRCGOKJJ-QFIPXVFZSA-N" . "InChI=1S/C30H39N3O3/c1-7-33-29(34)32-19-24-16-25(35-5)17-26(36-6)28(24)22(4)15-27(32)30(33)8-10-31(11-9-30)18-23-13-20(2)12-21(3)14-23/h12-17,22H,7-11,18-19H2,1-6H3/t22-/m0/s1" . "OC(Cc1cccc(c1)C(F)(F)F)CCC1CCC(=O)N1CCCc1ccc(s1)C(=O)[O-]" . "O[C@@H](Cc1cccc(c1)C(F)(F)F)CC[C@H]1CCC(=O)N1CCCc1ccc(s1)C(=O)[O-]" . "JYZXGURJKNAFPT-ZWKOTPCHSA-M" . "InChI=1S/C23H26F3NO4S/c24-23(25,26)16-4-1-3-15(13-16)14-18(28)8-6-17-7-11-21(29)27(17)12-2-5-19-9-10-20(32-19)22(30)31/h1,3-4,9-10,13,17-18,28H,2,5-8,11-12,14H2,(H,30,31)/p-1/t17-,18+/m0/s1" . "COc1cc2CN(CCc2cc1OC)C(=O)C(C(C)(C)C)NCc1ccncc1" . "COc1cc2CN(CCc2cc1OC)C(=O)[C@H](C(C)(C)C)NCc1ccncc1" . "COFVZFLCAOUMJT-OAQYLSRUSA-N" . "InChI=1S/C23H31N3O3/c1-23(2,3)21(25-14-16-6-9-24-10-7-16)22(27)26-11-8-17-12-19(28-4)20(29-5)13-18(17)15-26/h6-7,9-10,12-13,21,25H,8,11,14-15H2,1-5H3/t21-/m1/s1" . "COc1ccc(cn1)N(S(=O)(=O)c1ccccc1C)CC(=O)N(Cc1cccnc1)CC" . "COc1ccc(cn1)N(S(=O)(=O)c1ccccc1C)CC(=O)N(Cc1cccnc1)CC" . "KJPHTXTWFHVJIG-UHFFFAOYSA-N" . "InChI=1S/C23H26N4O4S/c1-4-26(16-19-9-7-13-24-14-19)23(28)17-27(20-11-12-22(31-3)25-15-20)32(29,30)21-10-6-5-8-18(21)2/h5-15H,4,16-17H2,1-3H3" . "CCNC(=O)C(NC(=O)C(N(C(=O)C(Cc1ccc(cc1)F)NC)C)C(C)C)Cc1ccc(c(c1)C(C)(C)C)O.Cl" . "CCNC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H](Cc1ccc(cc1)F)NC)C)C(C)C)Cc1ccc(c(c1)C(C)(C)C)O.Cl" . "AMSDRHOIAWZBTJ-PBQYMGKRSA-N" . "InChI=1S/C31H45FN4O4.ClH/c1-9-34-28(38)24(18-21-12-15-26(37)23(16-21)31(4,5)6)35-29(39)27(19(2)3)36(8)30(40)25(33-7)17-20-10-13-22(32)14-11-20;/h10-16,19,24-25,27,33,37H,9,17-18H2,1-8H3,(H,34,38)(H,35,39);1H/t24-,25-,27-;/m0./s1" . "CC1NCCN(C1)Cc1ccc(cc1)CC(=O)N1CCC(CC1)Nc1cccc(c1)F" . "C[C@@H]1NCCN(C1)Cc1ccc(cc1)CC(=O)N1CCC(CC1)Nc1cccc(c1)F" . "RZKDEGZIFSJVNA-IBGZPJMESA-N" . "InChI=1S/C25H33FN4O/c1-19-17-29(14-11-27-19)18-21-7-5-20(6-8-21)15-25(31)30-12-9-23(10-13-30)28-24-4-2-3-22(26)16-24/h2-8,16,19,23,27-28H,9-15,17-18H2,1H3/t19-/m0/s1" . "COc1cc(ccc1OCCN1CCCC1)n1cnc2c(c1=O)sc(c2)c1ccc(cc1)Cl" . "COc1cc(ccc1OCCN1CCCC1)n1cnc2c(c1=O)sc(c2)c1ccc(cc1)Cl" . "MWULMTACIBZPGN-UHFFFAOYSA-N" . "InChI=1S/C25H24ClN3O3S/c1-31-22-14-19(8-9-21(22)32-13-12-28-10-2-3-11-28)29-16-27-20-15-23(33-24(20)25(29)30)17-4-6-18(26)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3" . "CCCCCCCCCCCCCC=CC(C(COP(=O)(OCC[N+](C)(C)C)[O-])N)O" . "CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(OCC[N+](C)(C)C)[O-])N)O" . "JLVSPVFPBBFMBE-HXSWCURESA-N" . "InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/b18-17+/t22-,23+/m0/s1" . "CCCCCCCCCCCCOP(=O)([O-])[O-]" . "CCCCCCCCCCCCOP(=O)([O-])[O-]" . "TVACALAUIQMRDF-UHFFFAOYSA-L" . "InChI=1S/C12H27O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H2,13,14,15)/p-2" . "CCCCCCCCCCOP(=O)(O)O" . "CCCCCCCCCCOP(=O)(O)O" . "SCIGVHCNNXTQDB-UHFFFAOYSA-N" . "InChI=1S/C10H23O4P/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)" . "CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC(COP(=O)(OC1C(O)C(O)C(C(C1O)O)O)[O-])CO" . "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OC(COP(=O)(OC1C(O)C(O)C(C(C1O)O)O)[O-])CO" . "OKEQUIXTUXJQNT-DOFZRALJSA-M" . "InChI=1S/C29H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(31)40-22(20-30)21-39-42(37,38)41-29-27(35)25(33)24(32)26(34)28(29)36/h6-7,9-10,12-13,15-16,22,24-30,32-36H,2-5,8,11,14,17-21H2,1H3,(H,37,38)/p-1/b7-6-,10-9-,13-12-,16-15-" . "OC(COC(=O)C)COP(=O)(OC1C(O)C(O)C(C(C1O)O)O)O" . "O[C@@H](COC(=O)C)COP(=O)(O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)O)O)O" . "FBDBXJJQMHPGMP-IFUOQLDVSA-N" . "InChI=1S/C11H21O12P/c1-4(12)21-2-5(13)3-22-24(19,20)23-11-9(17)7(15)6(14)8(16)10(11)18/h5-11,13-18H,2-3H2,1H3,(H,19,20)/t5-,6-,7-,8+,9+,10+,11-/m0/s1" . "OCCNc1cc(C)nc(n1)c1ccc(cc1)Br" . "OCCNc1cc(C)nc(n1)c1ccc(cc1)Br" . "DUKPGOOUJNUIOI-UHFFFAOYSA-N" . "InChI=1S/C13H14BrN3O/c1-9-8-12(15-6-7-18)17-13(16-9)10-2-4-11(14)5-3-10/h2-5,8,18H,6-7H2,1H3,(H,15,16,17)" . "NCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1" . "NCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1" . "BPZGZNLONLANFE-UHFFFAOYSA-N" . "InChI=1S/C20H23N3/c21-14-13-18-15-22-20(23-18)12-11-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,19H,11-14,21H2,(H,22,23)" . "NCCc1sc(nc1C)N" . "NCCc1sc(nc1C)N" . "LHVRFUVVRXGZPV-UHFFFAOYSA-N" . "InChI=1S/C6H11N3S/c1-4-5(2-3-7)10-6(8)9-4/h2-3,7H2,1H3,(H2,8,9)" . "n1ccc(cc1)Cc1c[nH]cn1" . "n1ccc(cc1)Cc1c[nH]cn1" . "DFVSGZHJSIEEQQ-UHFFFAOYSA-N" . "InChI=1S/C9H9N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h1-4,6-7H,5H2,(H,11,12)" . "N#Cc1ccc(cc1)c1ccc(cc1)OCCCN1CCC(C1)N(C)C" . "N#Cc1ccc(cc1)c1ccc(cc1)OCCCN1CC[C@H](C1)N(C)C" . "FXIPXWLVYIHFEP-OAQYLSRUSA-N" . "InChI=1S/C22H27N3O/c1-24(2)21-12-14-25(17-21)13-3-15-26-22-10-8-20(9-11-22)19-6-4-18(16-23)5-7-19/h4-11,21H,3,12-15,17H2,1-2H3/t21-/m1/s1" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CCCN=C(N)N)C(C)C)CCCN=C(N)N)C(CC)C)CCCN=C(N)N)CO)C)Cc1ccc(cc1)O)Cc1c[nH]c2c1cccc2)C)CC(=O)N)C(CC)C)CC(=O)O)C(O)C)CCCN=C(N)N)C(CC)C)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(CO)N)CCCN=C(N)N)Cc1nc[nH]c1)CCCN=C(N)N)Cc1nc[nH]c1)CO " . "CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C" . "ZHTVYIVYLQHJMI-YTSIKJBXSA-N" . "InChI=1S/C160H252N56O42S/c1-14-79(6)121(148(252)198-102(40-27-56-183-160(174)175)152(256)214-57-29-43-114(214)146(250)209-120(78(4)5)147(251)186-71-116(224)191-96(36-23-52-179-156(166)167)131(235)199-103(126(163)230)61-86-31-18-17-19-32-86)208-117(225)72-185-130(234)95(35-22-51-178-155(164)165)193-142(246)110(74-218)206-128(232)82(9)189-137(241)104(62-87-44-46-91(222)47-45-87)201-138(242)105(63-88-68-184-94-34-21-20-33-92(88)94)200-127(231)83(10)190-144(248)112-41-28-58-215(112)153(257)109(66-115(162)223)205-150(254)123(81(8)16-3)211-141(245)108(67-119(228)229)203-145(249)113-42-30-59-216(113)154(258)125(85(12)221)213-135(239)99(39-26-55-182-159(172)173)197-149(253)122(80(7)15-2)210-136(240)100(48-49-118(226)227)195-133(237)101(50-60-259-13)196-143(247)111(75-219)207-140(244)106(64-89-69-176-76-187-89)202-132(236)97(37-24-53-180-157(168)169)194-139(243)107(65-90-70-177-77-188-90)204-151(255)124(84(11)220)212-134(238)98(38-25-54-181-158(170)171)192-129(233)93(161)73-217/h17-21,31-34,44-47,68-70,76-85,93,95-114,120-125,184,217-222H,14-16,22-30,35-43,48-67,71-75,161H2,1-13H3,(H2,162,223)(H2,163,230)(H,176,187)(H,177,188)(H,185,234)(H,186,251)(H,189,241)(H,190,248)(H,191,224)(H,192,233)(H,193,246)(H,194,243)(H,195,237)(H,196,247)(H,197,253)(H,198,252)(H,199,235)(H,200,231)(H,201,242)(H,202,236)(H,203,249)(H,204,255)(H,205,254)(H,206,232)(H,207,244)(H,208,225)(H,209,250)(H,210,240)(H,211,245)(H,212,238)(H,213,239)(H,226,227)(H,228,229)(H4,164,165,178)(H4,166,167,179)(H4,168,169,180)(H4,170,171,181)(H4,172,173,182)(H4,174,175,183)/t79-,80-,81-,82-,83-,84+,85+,93-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,120-,121-,122-,123-,124-,125-/m0/s1" . "OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CCCN=C(N)N)CCC(=O)N)C)C)CC(C)C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(CCC(=O)O)N)Cc1ccc(cc1)O " . "CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O" . "JGHPDOKJMQTPSY-NNVBHMPUSA-N" . "InChI=1S/C65H91N17O16/c1-34(2)28-47(79-62(96)50(33-83)81-61(95)49(31-39-32-72-43-15-9-8-14-41(39)43)80-60(94)48(30-38-18-20-40(84)21-19-38)78-56(90)42(66)22-25-53(86)87)59(93)73-35(3)55(89)74-36(4)64(98)82-27-11-17-51(82)63(97)76-45(23-24-52(67)85)58(92)75-44(16-10-26-71-65(69)70)57(91)77-46(54(68)88)29-37-12-6-5-7-13-37/h5-9,12-15,18-21,32,34-36,42,44-51,72,83-84H,10-11,16-17,22-31,33,66H2,1-4H3,(H2,67,85)(H2,68,88)(H,73,93)(H,74,89)(H,75,92)(H,76,97)(H,77,91)(H,78,90)(H,79,96)(H,80,94)(H,81,95)(H,86,87)(H4,69,70,71)/t35-,36-,42-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1" . "OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccccc1)CCCN=C(N)N)CC(C)C)Cc1ccccc1)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(CC(=O)O)N)CC(C)C)CC(=O)N)Cc1ccc(cc1)O)CC(=O)N)CC(=O)N " . "CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O" . "SWQFNQZATASWSZ-HCHFQKEFSA-N" . "InChI=1S/C82H111N21O22/c1-42(2)29-53(72(115)93-52(21-13-27-89-82(87)88)71(114)101-61(81(124)125)33-45-17-9-6-10-18-45)92-67(109)40-91-70(113)54(31-44-15-7-5-8-16-44)94-78(121)62(41-104)102-77(120)58(37-65(85)107)98-74(117)56(34-47-39-90-51-20-12-11-19-49(47)51)96-75(118)57(36-64(84)106)97-73(116)55(32-46-23-25-48(105)26-24-46)95-76(119)59(38-66(86)108)99-79(122)63-22-14-28-103(63)80(123)60(30-43(3)4)100-69(112)50(83)35-68(110)111/h5-12,15-20,23-26,39,42-43,50,52-63,90,104-105H,13-14,21-22,27-38,40-41,83H2,1-4H3,(H2,84,106)(H2,85,107)(H2,86,108)(H,91,113)(H,92,109)(H,93,115)(H,94,121)(H,95,119)(H,96,118)(H,97,116)(H,98,117)(H,99,122)(H,100,112)(H,101,114)(H,102,120)(H,110,111)(H,124,125)(H4,87,88,89)/t50-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1" . "CCC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CS)CC(C)C)CC(=O)O)CC(=O)N)CC(=O)N)C)NC(=O)C(NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CN)CS)CS)CO)CCCN=C(N)N)CS)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)O" . "FIRBQKFGNFGBRC-NLBWWLDMSA-N" . "InChI=1S/C65H107N21O22S4/c1-6-30(4)49(60(103)72-31(5)50(93)75-34(20-45(67)88)52(95)78-36(21-46(68)89)62(105)84-16-8-12-42(84)58(101)77-35(22-48(91)92)53(96)76-33(19-29(2)3)51(94)82-41(28-112)64(107)108)83-57(100)40(27-111)81-59(102)43-13-9-17-85(43)63(106)44-14-10-18-86(44)61(104)32(11-7-15-71-65(69)70)74-54(97)37(24-87)79-56(99)39(26-110)80-55(98)38(25-109)73-47(90)23-66/h29-44,49,87,109-112H,6-28,66H2,1-5H3,(H2,67,88)(H2,68,89)(H,72,103)(H,73,90)(H,74,97)(H,75,93)(H,76,96)(H,77,101)(H,78,95)(H,79,99)(H,80,98)(H,81,102)(H,82,94)(H,83,100)(H,91,92)(H,107,108)(H4,69,70,71)/t30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,49-/m0/s1" . "SCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CS)C(C)C)Cc1nc[nH]c1)CC(=O)N)CC(=O)N)C(C)C)CCCN=C(N)N)NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)O)N)CCC(=O)O)CS)CS)CO)CC(=O)N)C " . "CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)C(C)C" . "YRXAPIQPBSKAMJ-WDCFXWORSA-N" . "InChI=1S/C71H113N25O26S4/c1-29(2)52(66(117)85-37(19-47(73)98)58(109)86-38(20-48(74)99)68(119)96-16-8-11-46(96)65(116)84-36(17-32-22-78-28-80-32)59(110)94-53(30(3)4)67(118)92-44(27-126)70(121)122)93-57(108)34(9-6-14-79-71(76)77)83-61(112)41(24-123)89-54(105)31(5)81-64(115)45-10-7-15-95(45)69(120)39(21-49(75)100)87-60(111)40(23-97)88-62(113)42(25-124)91-63(114)43(26-125)90-56(107)35(12-13-50(101)102)82-55(106)33(72)18-51(103)104/h22,28-31,33-46,52-53,97,123-126H,6-21,23-27,72H2,1-5H3,(H2,73,98)(H2,74,99)(H2,75,100)(H,78,80)(H,81,115)(H,82,106)(H,83,112)(H,84,116)(H,85,117)(H,86,109)(H,87,111)(H,88,113)(H,89,105)(H,90,107)(H,91,114)(H,92,118)(H,93,108)(H,94,110)(H,101,102)(H,103,104)(H,121,122)(H4,76,77,79)/t31-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,52-,53-/m0/s1" . "COC1CC=C2C3(C1)N(CC2)CCC1=C3CC(=O)OC1" . "CO[C@H]1CC=C2[C@]3(C1)N(CC2)CCC1=C3CC(=O)OC1" . "ALSKYCOJJPXPFS-BBRMVZONSA-N" . "InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m0/s1" . "OC(=O)CCc1ccc(cc1)C#Cc1ccccc1C" . "OC(=O)CCc1ccc(cc1)C#Cc1ccccc1C" . "FODHWOBAQBTTFS-UHFFFAOYSA-N" . "InChI=1S/C18H16O2/c1-14-4-2-3-5-17(14)12-10-15-6-8-16(9-7-15)11-13-18(19)20/h2-9H,11,13H2,1H3,(H,19,20)" . "CCN1CC2(CCC(C34C1C(O)(C(C23)OC)C1(C2C4CC(C2OC)C(C1)OC)O)OC)COC(=O)c1ccccc1N1C(=O)CC(C1=O)C" . "CCN1C[C@@]2(CC[C@@H]([C@]34[C@H]1[C@](O)([C@H]([C@H]23)OC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC)[C@H](C1)OC)O)OC)COC(=O)c1ccccc1N1C(=O)C[C@@H](C1=O)C" . "XLTANAWLDBYGFU-VTLKBQQISA-N" . "InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34-,35+,36-,37+/m0/s1" . "O=C(OCC[N+](C)(C)C)CCC(=O)OCC[N+](C)(C)C" . "O=C(OCC[N+](C)(C)C)CCC(=O)OCC[N+](C)(C)C" . "AXOIZCJOOAYSMI-UHFFFAOYSA-N" . "InChI=1S/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2" . "C=CC[N+]1(CCCC1)C1CC2C(C1OC(=O)C)(C)CCC1C2CCC2C1(C)CC(C(C2)O)N1CCOCC1" . "C=CC[N+]1(CCCC1)[C@H]1C[C@@H]2[C@]([C@H]1OC(=O)C)(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C[C@@H]([C@H](C2)O)N1CCOCC1" . "YXRDKMPIGHSVRX-OOJCLDBCSA-N" . "InChI=1S/C32H53N2O4/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35/h5,23-30,36H,1,6-21H2,2-4H3/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1" . "CC(=O)OC1CC2CCC3C(C2(CC1N1CCCCC1)C)CCC1(C3CC(C1OC(=O)C)[N+]1(C)CCCCC1)C" . "CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N1CCCCC1)C)CC[C@]1([C@H]3C[C@@H]([C@@H]1OC(=O)C)[N+]1(C)CCCCC1)C" . "BGSZAXLLHYERSY-XQIGCQGXSA-N" . "InChI=1S/C34H57N2O4/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36/h25-32H,6-22H2,1-5H3/q+1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1" . "CC(=O)OC1CC2CCC3C(C2(CC1[N+]1(C)CCCCC1)C)CCC1(C3CC(C1OC(=O)C)[N+]1(C)CCCCC1)C" . "CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]1(C)CCCCC1)C)CC[C@]1([C@H]3C[C@@H]([C@@H]1OC(=O)C)[N+]1(C)CCCCC1)C" . "GVEAYVLWDAFXET-XGHATYIMSA-N" . "InChI=1S/C35H60N2O4/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36/h26-33H,7-23H2,1-6H3/q+2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1" . "O=C(Nc1cc(Cl)ccc1O)Nc1cc(ccc1Cl)C(F)(F)F" . "O=C(Nc1cc(Cl)ccc1O)Nc1cc(ccc1Cl)C(F)(F)F" . "OUDXRNQPVSMGDW-UHFFFAOYSA-N" . "InChI=1S/C14H9Cl2F3N2O2/c15-8-2-4-12(22)11(6-8)21-13(23)20-10-5-7(14(17,18)19)1-3-9(10)16/h1-6,22H,(H2,20,21,23)" . "O=C(c1ncc2c(c1)cco2)NC1CN2CCC1CC2" . "O=C(c1ncc2c(c1)cco2)N[C@H]1CN2CCC1CC2" . "IPKZCLGGYKRDES-ZDUSSCGKSA-N" . "InChI=1S/C15H17N3O2/c19-15(12-7-11-3-6-20-14(11)8-16-12)17-13-9-18-4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)/t13-/m0/s1" . "O=C(c1ncc2c(c1)cco2)NC1CC2CCN(C1)C2" . "O=C(c1ncc2c(c1)cco2)N[C@@H]1C[C@H]2CCN(C1)C2" . "PTGWFYYEAUFEAS-ZYHUDNBSSA-N" . "InChI=1S/C15H17N3O2/c19-15(13-6-11-2-4-20-14(11)7-16-13)17-12-5-10-1-3-18(8-10)9-12/h2,4,6-7,10,12H,1,3,5,8-9H2,(H,17,19)/t10-,12-/m1/s1" . "OC1CC(OC1C)C[N+](C)(C)C" . "O[C@@H]1C[C@H](O[C@H]1C)C[N+](C)(C)C" . "UQOFGTXDASPNLL-XHNCKOQMSA-N" . "InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1" . "CN1CC2C(C1)CN(C2)c1ccc(nn1)c1ccccc1" . "CN1CC2C(C1)CN(C2)c1ccc(nn1)c1ccccc1" . "GTMRUYCIJSNXGB-UHFFFAOYSA-N" . "InChI=1S/C17H20N4/c1-20-9-14-11-21(12-15(14)10-20)17-8-7-16(18-19-17)13-5-3-2-4-6-13/h2-8,14-15H,9-12H2,1H3" . "CNCCC=Cc1cccnc1" . "CNCC/C=C/c1cccnc1" . "JUOSGGQXEBBCJB-GORDUTHDSA-N" . "InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3/b5-2+" . "N#Cc1cccc(c1)c1onc(n1)c1cccnc1" . "N#Cc1cccc(c1)c1onc(n1)c1cccnc1" . "HGFXDSQLRSWUBO-UHFFFAOYSA-N" . "InChI=1S/C14H8N4O/c15-8-10-3-1-4-11(7-10)14-17-13(18-19-14)12-5-2-6-16-9-12/h1-7,9H" . "Fc1ccc(cc1)Nc1nc(c(s1)C(=O)c1cscc1)C" . "Fc1ccc(cc1)Nc1nc(c(s1)C(=O)c1cscc1)C" . "PEAMDZVDNYENPN-UHFFFAOYSA-N" . "InChI=1S/C15H11FN2OS2/c1-9-14(13(19)10-6-7-20-8-10)21-15(17-9)18-12-4-2-11(16)3-5-12/h2-8H,1H3,(H,17,18)" . "COc1cc(OC)c(cc1NC(=O)Nc1noc(c1)C)Cl" . "COc1cc(OC)c(cc1NC(=O)Nc1noc(c1)C)Cl" . "CEIIEALEIHQDBX-UHFFFAOYSA-N" . "InChI=1S/C13H14ClN3O4/c1-7-4-12(17-21-7)16-13(18)15-9-5-8(14)10(19-2)6-11(9)20-3/h4-6H,1-3H3,(H2,15,16,17,18)" . "CNC1(C)C2CCC(C1(C)C)C2" . "CNC1(C)C2CCC(C1(C)C)C2" . "IMYZQPCYWPFTAG-UHFFFAOYSA-N" . "InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3" . "Clc1ccc(cn1)OCC1CCN1" . "Clc1ccc(cn1)OC[C@H]1CCN1" . "MKTAGSRKQIGEBH-SSDOTTSWSA-N" . "InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1" . "O=C(c1ccc(cc1)Cl)NC1CN2CCC1CC2" . "O=C(c1ccc(cc1)Cl)N[C@H]1CN2CCC1CC2" . "WECKJONDRAUFDD-ZDUSSCGKSA-N" . "InChI=1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)/t13-/m0/s1" . "CNCCC=Cc1cncc(c1)OCC" . "CNCC/C=C/c1cncc(c1)OCC" . "HFZDMKMXPGRKCK-GQCTYLIASA-N" . "InChI=1S/C12H18N2O/c1-3-15-12-8-11(9-14-10-12)6-4-5-7-13-2/h4,6,8-10,13H,3,5,7H2,1-2H3/b6-4+" . "CCC(=O)c1cc(n(c1C)c1ccc(cc1)S(=O)(=O)N)c1ccc(cc1)Cl" . "CCC(=O)c1cc(n(c1C)c1ccc(cc1)S(=O)(=O)N)c1ccc(cc1)Cl" . "ABACVOXFUHDKNZ-UHFFFAOYSA-N" . "InChI=1S/C20H19ClN2O3S/c1-3-20(24)18-12-19(14-4-6-15(21)7-5-14)23(13(18)2)16-8-10-17(11-9-16)27(22,25)26/h4-12H,3H2,1-2H3,(H2,22,25,26)" . "OCC1NC(=O)C(Cc2cccc(c2)O)NC(=O)C(Cc2[nH]cnc2)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C2CSSCC(C(=O)NC(CSSCC(NC1=O)C(=O)N)C(=O)NC(CC(=O)N)C(=O)N1CCCC1C(=O)NC(C(=O)N2)C)NC(=O)C(CCC(=O)O)N" . "OC[C@@H]1NC(=O)[C@H](Cc2cccc(c2)O)NC(=O)[C@H](Cc2[nH]cnc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N2)C)NC(=O)[C@H](CCC(=O)O)N" . "CSUQNJQRLCOOSR-NAKBKFBQSA-N" . "InChI=1S/C55H80N20O18S4/c1-25-44(83)72-36-21-95-97-22-37(73-45(84)29(56)9-10-42(80)81)52(91)74-38(51(90)69-33(16-40(57)78)54(93)75-12-4-8-39(75)53(92)65-25)23-96-94-20-35(43(58)82)71-50(89)34(19-76)70-48(87)31(14-26-5-2-6-28(77)13-26)67-49(88)32(15-27-17-61-24-64-27)68-47(86)30(7-3-11-62-55(59)60)66-41(79)18-63-46(36)85/h2,5-6,13,17,24-25,29-39,76-77H,3-4,7-12,14-16,18-23,56H2,1H3,(H2,57,78)(H2,58,82)(H,61,64)(H,63,85)(H,65,92)(H,66,79)(H,67,88)(H,68,86)(H,69,90)(H,70,87)(H,71,89)(H,72,83)(H,73,84)(H,74,91)(H,80,81)(H4,59,60,62)/t25-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1" . "NCC(=O)NC1CSSCC2NC(=O)C3CCCN3C(=O)C3N(C(=O)C(NC(=O)C(NC(=O)C(NC1=O)CSSCC(NC(=O)C(Cc1ccc(cc1)O)NC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)C)C)CC(=O)N)CC(=O)N)C(=O)N)CO)CC(C)C)CCC3" . "NCC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CCCN3C(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CSSC[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)C)C)CC(=O)N)CC(=O)N)C(=O)N)CO)CC(C)C)CCC3" . "VUVGEYBNLLGGBG-MVPSLEAZSA-N" . "InChI=1S/C65H95N19O22S4/c1-29(2)18-37-63(104)84-17-7-10-46(84)65(106)83-16-6-9-45(83)62(103)81-42-27-110-108-26-41(72-49(89)23-66)59(100)80-43(60(101)78-39(24-85)57(98)76-37)28-109-107-25-40(51(69)92)79-54(95)34(19-32-11-13-33(86)14-12-32)74-56(97)36(22-50(90)91)75-61(102)44-8-5-15-82(44)64(105)38(21-48(68)88)77-55(96)35(20-47(67)87)73-53(94)31(4)70-52(93)30(3)71-58(42)99/h11-14,29-31,34-46,85-86H,5-10,15-28,66H2,1-4H3,(H2,67,87)(H2,68,88)(H2,69,92)(H,70,93)(H,71,99)(H,72,89)(H,73,94)(H,74,97)(H,75,102)(H,76,98)(H,77,96)(H,78,101)(H,79,95)(H,80,100)(H,81,103)(H,90,91)/t30-,31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1" . "CCN1CC2(CCC(C34C1C(O)(C(C23)OC)C1(C2C4CC(C2OC)C(C1)OC)O)OC)COC(=O)c1ccccc1N1C(=O)CC(C1=O)C" . "CCN1C[C@@]2(CC[C@@H]([C@]34[C@H]1[C@](O)([C@H]([C@H]23)OC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC)[C@H](C1)OC)O)OC)COC(=O)c1ccccc1N1C(=O)C[C@@H](C1=O)C" . "XLTANAWLDBYGFU-VTLKBQQISA-N" . "InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34-,35+,36-,37+/m0/s1" . "O=c1cccc2n1CC1CNCC2C1" . "c1([3H])cc([3H])c(=O)n2c1[C@H]1CNC[C@H](C1)C2" . "ANJTVLIZGCUXLD-ZIAKYUPESA-N" . "InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1/i2T,3T" . "CN1CCCC1c1cccnc1" . "CN1CCCC1c1cccnc1" . "SNICXCGAKADSCV-UHFFFAOYSA-N" . "InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3" . "Clc1ccc(cn1)C1CC2NC1CC2" . "Clc1ccc(cn1)C1CC2NC1CC2" . "NLPRAJRHRHZCQQ-UHFFFAOYSA-N" . "InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2" . "Clc1ccc(cn1)C1CC2NC1CC2" . "Clc1ccc(cn1)C1CC2NC1CC2" . "NLPRAJRHRHZCQQ-UHFFFAOYSA-N" . "InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2" . "C[N+]1(C)CC2CC1CN2c1ccc(nn1)c1ccccc1" . "C[N+]1(C)CC2CC1CN2c1ccc(nn1)c1ccccc1" . "AKMKIDQMKPFYDJ-UHFFFAOYSA-N" . "InChI=1S/C17H21N4/c1-21(2)12-14-10-15(21)11-20(14)17-9-8-16(18-19-17)13-6-4-3-5-7-13/h3-9,14-15H,10-12H2,1-2H3/q+1" . "COC(C(C(=O)O)Oc1nc(C)cc(n1)C)(c1ccccc1)c1ccccc1" . "COC([C@@H](C(=O)O)Oc1nc(C)cc(n1)C)(c1ccccc1)c1ccccc1" . "OUJTZYPIHDYQMC-LJQANCHMSA-N" . "InChI=1S/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1" . "O=C(c1sccc1S(=O)(=O)Nc1onc(c1Cl)C)Cc1cc2OCOc2cc1C" . "O=C(c1sccc1S(=O)(=O)Nc1onc(c1Cl)C)Cc1cc2OCOc2cc1C" . "PHWXUGHIIBDVKD-UHFFFAOYSA-N" . "InChI=1S/C18H15ClN2O6S2/c1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18/h3-5,7,21H,6,8H2,1-2H3" . "CNC1Cc2cccc3c2n(C1)c(=O)[nH]3" . "CN[C@@H]1Cc2cccc3c2n(C1)c(=O)[nH]3" . "RKZSNTNMEFVBDT-MRVPVSSYSA-N" . "InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1" . "Clc1ccc(cc1C(=O)Nc1ccccc1)[N+](=O)[O-]" . "Clc1ccc(cc1C(=O)Nc1ccccc1)[N+](=O)[O-]" . "DNTSIBUQMRRYIU-UHFFFAOYSA-N" . "InChI=1S/C13H9ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17)" . "NCC(=O)NC1CSSCC2NC(=O)C3CCCN3C(=O)C3N(C(=O)C(NC(=O)C(NC(=O)C(NC1=O)CSSCC(NC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)Cc1ccccc1)C)C(O)C)CC(=O)N)C(=O)N)CO)Cc1ccc(cc1)O)CCC3" . "NCC(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@@H]3CCCN3C(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)Cc1ccccc1)C)[C@H](O)C)CC(=O)N)C(=O)N)CO)Cc1ccc(cc1)O)CCC3" . "SVNSCQIKKAACJG-SBLJLSJOSA-N" . "InChI=1S/C65H89N17O21S4/c1-31-53(91)79-51(32(2)84)62(100)74-39(23-48(67)86)64(102)80-18-6-11-45(80)60(98)72-37(24-50(88)89)55(93)76-41(52(68)90)27-104-106-29-43-59(97)75-40(26-83)56(94)73-38(22-34-14-16-35(85)17-15-34)63(101)82-20-8-13-47(82)65(103)81-19-7-12-46(81)61(99)78-44(30-107-105-28-42(57(95)77-43)70-49(87)25-66)58(96)71-36(54(92)69-31)21-33-9-4-3-5-10-33/h3-5,9-10,14-17,31-32,36-47,51,83-85H,6-8,11-13,18-30,66H2,1-2H3,(H2,67,86)(H2,68,90)(H,69,92)(H,70,87)(H,71,96)(H,72,98)(H,73,94)(H,74,100)(H,75,97)(H,76,93)(H,77,95)(H,78,99)(H,79,91)(H,88,89)/t31-,32+,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,51-/m0/s1" . "Fc1cccc(c1)c1cnc2c(c1)CC1(O2)CN2CCC1CC2" . "Fc1cccc(c1)c1cnc2c(c1)C[C@]1(O2)CN2CCC1CC2" . "MRVNNESNVNUKCV-IBGZPJMESA-N" . "InChI=1S/C19H19FN2O/c20-17-3-1-2-13(9-17)15-8-14-10-19(23-18(14)21-11-15)12-22-6-4-16(19)5-7-22/h1-3,8-9,11,16H,4-7,10,12H2/t19-/m0/s1" . "O=C(c1cc2c(o1)cccc2)NC1C2CCN(C1Cc1cccnc1)CC2" . "O=C(c1cc2c(o1)cccc2)N[C@@H]1C2CCN([C@H]1Cc1cccnc1)CC2" . "OXKRFEWMSWPKKV-GHTZIAJQSA-N" . "InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18-,21+/m0/s1" . "c1ccc(cc1)c1cnc2c(c1)CC1(O2)CN2CCC1CC2" . "c1ccc(cc1)c1cnc2c(c1)C[C@]1(O2)CN2CCC1CC2" . "GIRLVGYIIVFTLI-IBGZPJMESA-N" . "InChI=1S/C19H20N2O/c1-2-4-14(5-3-1)16-10-15-11-19(22-18(15)20-12-16)13-21-8-6-17(19)7-9-21/h1-5,10,12,17H,6-9,11,13H2/t19-/m0/s1" . "C[N+]1(C)CCN(CC1)c1ccccc1" . "C[N+]1(C)CCN(CC1)c1ccccc1" . "MKGIQRNAGSSHRV-UHFFFAOYSA-N" . "InChI=1S/C12H19N2/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3/q+1" . "OCc1sc(nc1c1ccncc1)Nc1ccc(c(c1)C(F)(F)F)F" . "OCc1sc(nc1c1ccncc1)Nc1ccc(c(c1)C(F)(F)F)F" . "JBSVHWCIKVSTTH-UHFFFAOYSA-N" . "InChI=1S/C16H11F4N3OS/c17-12-2-1-10(7-11(12)16(18,19)20)22-15-23-14(13(8-24)25-15)9-3-5-21-6-4-9/h1-7,24H,8H2,(H,22,23)" . "C[N+](CCCCCC[N+](C)(C)C)(C)C" . "C[N+](CCCCCC[N+](C)(C)C)(C)C" . "VZJFGSRCJCXDSG-UHFFFAOYSA-N" . "InChI=1S/C12H30N2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6/h7-12H2,1-6H3/q+2" . "Brc1ccc(cc1)C1Nc2ccc(cc2C2C1CC=C2)S(=O)(=O)N" . "Brc1ccc(cc1)C1Nc2ccc(cc2C2C1CC=C2)S(=O)(=O)N" . "YNCXHXYZTLIZTO-UHFFFAOYSA-N" . "InChI=1S/C18H17BrN2O2S/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(24(20,22)23)8-9-17(16)21-18/h1-2,4-10,14-15,18,21H,3H2,(H2,20,22,23)" . "NC(SCCCc1cnc[nH]1)NCCc1ccc(cc1)I" . "N[C@H](SCCCc1cnc[nH]1)NCCc1ccc(cc1)I" . "UWFACTDPNOOPFV-HNNXBMFYSA-N" . "InChI=1S/C15H21IN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11,15,19H,1-2,7-9,17H2,(H,18,20)/t15-/m0/s1" . "N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N" . "N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N" . "YDDXVAXDYKBWDX-UHFFFAOYSA-N" . "InChI=1S/C10H16N8S2/c1-14-9(16-6-11)15-2-3-19-4-7-5-20-10(17-7)18-8(12)13/h5H,2-4H2,1H3,(H2,14,15,16)(H4,12,13,17,18)" . "CN(CCC=C1c2ccccc2OCc2c1cccc2)C" . "CN(CC/C=C/1/c2ccccc2OCc2c1cccc2)C" . "ODQWQRRAPPTVAG-GZTJUZNOSA-N" . "InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+" . "COc1ccc(cc1)CN(c1ccccn1)CCN(C)C" . "COc1ccc(cc1)CN(c1ccccn1)CCN(C)C" . "YECBIJXISLIIDS-UHFFFAOYSA-N" . "InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3" . "COc1cc(ccc1Cl)NC(=O)c1ccccn1" . "COc1cc(ccc1Cl)NC(=O)c1ccccn1" . "ARYUXFNGXHNNDM-UHFFFAOYSA-N" . "InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)" . "Clc1cccc(c1C(=Cn1cncn1)OC1CCCCCC1)Cl" . "Clc1cccc(c1/C(=C/n1cncn1)/OC1CCCCCC1)Cl" . "STCVFKBRXOEQRF-YBEGLDIGSA-N" . "InChI=1S/C17H19Cl2N3O/c18-14-8-5-9-15(19)17(14)16(10-22-12-20-11-21-22)23-13-6-3-1-2-4-7-13/h5,8-13H,1-4,6-7H2/b16-10-" . "Cc1c(OCc2cccc(c2)c2ccc(cc2)C(=O)O)cc2c(c1C)C(=O)C(C2)C1CCCC1" . "Cc1c(OCc2cccc(c2)c2ccc(cc2)C(=O)O)cc2c(c1C)C(=O)C(C2)C1CCCC1" . "KMKBEESNZAPKMP-UHFFFAOYSA-N" . "InChI=1S/C30H30O4/c1-18-19(2)28-25(15-26(29(28)31)22-7-3-4-8-22)16-27(18)34-17-20-6-5-9-24(14-20)21-10-12-23(13-11-21)30(32)33/h5-6,9-14,16,22,26H,3-4,7-8,15,17H2,1-2H3,(H,32,33)" . "CN(c1ccnc2c1c1ncn(c(=O)c1s2)N1CCCCCC1)C" . "CN(c1ccnc2c1c1ncn(c(=O)c1s2)N1CCCCCC1)C" . "GYWGXEGOXODOQU-UHFFFAOYSA-N" . "InChI=1S/C17H21N5OS/c1-20(2)12-7-8-18-16-13(12)14-15(24-16)17(23)22(11-19-14)21-9-5-3-4-6-10-21/h7-8,11H,3-6,9-10H2,1-2H3" . "CCCCC(NC(=O)C(Cc1ccc(cc1)OS(=O)(=O)O)NC(=O)CC)NCC(=O)C(=O)NC(C(=O)NC(=O)C(NC(=O)C(NC(=O)C(CCCC)NC)CC(=O)O)Cc1ccccc1)Cc1c[nH]c2c1cccc2" . "CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)OS(=O)(=O)O)NC(=O)CC)NCC(=O)C(=O)N[C@H](C(=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCC)NC)CC(=O)O)Cc1ccccc1)Cc1c[nH]c2c1cccc2" . "VNNMDTHCFFZSSJ-HWQWZYBXSA-N" . "InChI=1S/C51H67N9O14S/c1-5-8-18-37(52-4)46(65)57-41(28-45(63)64)47(66)56-39(25-31-15-11-10-12-16-31)49(68)60-50(69)40(27-33-29-53-36-19-14-13-17-35(33)36)58-51(70)42(61)30-54-43(20-9-6-2)59-48(67)38(55-44(62)7-3)26-32-21-23-34(24-22-32)74-75(71,72)73/h10-17,19,21-24,29,37-41,43,52-54H,5-9,18,20,25-28,30H2,1-4H3,(H,55,62)(H,56,66)(H,57,65)(H,58,70)(H,59,67)(H,63,64)(H,60,68,69)(H,71,72,73)/t37-,38-,39-,40-,41-,43-/m0/s1" . "Cc1ccc(c(c1)C)C(c1nc2c(s1)cccc2)(O)C" . "Cc1ccc(c(c1)C)C(c1nc2c(s1)cccc2)(O)C" . "IGSZVEPQZANNAB-UHFFFAOYSA-N" . "InChI=1S/C17H17NOS/c1-11-8-9-13(12(2)10-11)17(3,19)16-18-14-6-4-5-7-15(14)20-16/h4-10,19H,1-3H3" . "CC(=C)C1CCC2(C1C1CCC3C(C1(C)CC2)(C)CCC1C3(C)CCC(C1(C)C)O)C(=O)O" . "CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C(=O)O" . "QGJZLNKBHJESQX-FZFNOLFKSA-N" . "InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1" . "CCC(C(C(=O)O)NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)c1cccnc1)Cc1ccc(cc1)O)CCCCNC(=O)C(NC(=O)OCc1ccccc1)CCCN=C(N)N)Cc1[nH]cnc1)C" . "CC[C@@H]([C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cccnc1)Cc1ccc(cc1)O)CCCCNC(=O)[C@@H](NC(=O)OCc1ccccc1)CCCN=C(N)N)Cc1[nH]cnc1)C" . "UXGNARZDONUMMK-LRMQDCNJSA-N" . "InChI=1S/C52H69N13O11/c1-3-32(2)43(50(73)74)64-48(71)42-17-11-25-65(42)49(72)41(27-36-29-56-31-59-36)62-46(69)39(60-47(70)40(26-33-18-20-37(66)21-19-33)61-44(67)35-14-9-22-55-28-35)15-7-8-23-57-45(68)38(16-10-24-58-51(53)54)63-52(75)76-30-34-12-5-4-6-13-34/h4-6,9,12-14,18-22,28-29,31-32,38-43,66H,3,7-8,10-11,15-17,23-27,30H2,1-2H3,(H,56,59)(H,57,68)(H,60,70)(H,61,67)(H,62,69)(H,63,75)(H,64,71)(H,73,74)(H4,53,54,58)/t32-,38-,39-,40-,41-,42-,43-/m0/s1" . "CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1[nH]nnn1)C(=O)NCCc1ccc(c(c1)I)O)Cl" . "CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1[nH]nnn1)C(=O)NCCc1ccc(c(c1)[125I])O)Cl" . "WMCDNTWPKXBICS-DYSJZCPFSA-N" . "InChI=1S/C29H27ClIN7O2/c1-2-5-25-33-27(30)26(29(40)32-15-14-18-10-13-24(39)23(31)16-18)38(25)17-19-8-11-20(12-9-19)21-6-3-4-7-22(21)28-34-36-37-35-28/h3-4,6-13,16,39H,2,5,14-15,17H2,1H3,(H,32,40)(H,34,35,36,37)/i31-2" . "CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl" . "CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl" . "PSIFNNKUMBGKDQ-UHFFFAOYSA-N" . "InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)" . "CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)C=C(C(=O)O)Cc1cccs1" . "CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)/Cc1cccs1" . "OROAFUQRIXKEMV-LDADJPATSA-N" . "InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+" . "CCc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1[nH]nnn1)nc(cc2C)C" . "CCc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1[nH]nnn1)nc(cc2C)C" . "YFWXFHNZGKNDBC-UHFFFAOYSA-N" . "InChI=1S/C24H23N7/c1-4-21-26-22-15(2)13-16(3)25-24(22)31(21)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)23-27-29-30-28-23/h5-13H,4,14H2,1-3H3,(H,27,28,29,30)" . "CCCN(c1ncccc1C(=O)O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1" . "CCCN(c1ncccc1C(=O)O)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1" . "DLMNZGAILMQDHA-UHFFFAOYSA-N" . "InChI=1S/C23H22N6O2/c1-2-14-29(22-20(23(30)31)8-5-13-24-22)15-16-9-11-17(12-10-16)18-6-3-4-7-19(18)21-25-27-28-26-21/h3-13H,2,14-15H2,1H3,(H,30,31)(H,25,26,27,28)" . "CCCCC(=O)N(C(C(=O)O)C(C)C)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1" . "CCCCC(=O)N([C@H](C(=O)O)C(C)C)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1" . "ACWBQPMHZXGDFX-QFIPXVFZSA-N" . "InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1" . "CCCCOC(=O)NS(=O)(=O)c1sc(cc1c1ccc(cc1)Cn1c(CC)nc2c1nc(C)cc2C)CC(C)C" . "CCCCOC(=O)NS(=O)(=O)c1sc(cc1c1ccc(cc1)Cn1c(CC)nc2c1nc(C)cc2C)CC(C)C" . "RINPELQWLUGERM-UHFFFAOYSA-N" . "InChI=1S/C30H38N4O4S2/c1-7-9-14-38-30(35)33-40(36,37)29-25(17-24(39-29)15-19(3)4)23-12-10-22(11-13-23)18-34-26(8-2)32-27-20(5)16-21(6)31-28(27)34/h10-13,16-17,19H,7-9,14-15,18H2,1-6H3,(H,33,35)" . "CCC=CCC(C=CC=CC=CC=CC(C(CC=CCCC(=O)O)O)O)O" . "CC/C=C/C[C@@H](/C=C/C=C/C=C/C=C/[C@@H]([C@H](C/C=C/CCC(=O)O)O)O)O" . "OIWTWACQMDFHJG-LDOXQWQISA-N" . "InChI=1S/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,20-,21-/m0/s1" . "CCCCCC(C=CC=CC=CC=CC(C(CCCC(=O)O)O)O)O" . "CCCCC[C@H](/C=C/C=C/C=C/C=C/[C@H]([C@H](CCCC(=O)O)O)O)O" . "IXAQOQZEOGMIQS-JEWNPAEBSA-N" . "InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t17-,18-,19+/m1/s1" . "OC(COc1cccc(c1)CNC(=O)C)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1" . "O[C@H](COc1cccc(c1)CNC(=O)C)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1" . "AWIONHVPTYTSHZ-DEOSSOPVSA-N" . "InChI=1S/C26H31N3O5S/c1-20(30)28-17-22-6-5-7-25(16-22)34-19-24(31)18-27-15-14-21-10-12-23(13-11-21)29-35(32,33)26-8-3-2-4-9-26/h2-13,16,24,27,29,31H,14-15,17-19H2,1H3,(H,28,30)/t24-/m0/s1" . "CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNCC(COc1ccc(cc1)O)O" . "CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O" . "NYYJKMXNVNFOFQ-MHZLTWQESA-N" . "InChI=1S/C30H40N4O6S/c1-2-3-4-5-19-32-30(37)33-24-10-16-29(17-11-24)41(38,39)34-25-8-6-23(7-9-25)18-20-31-21-27(36)22-40-28-14-12-26(35)13-15-28/h6-17,27,31,34-36H,2-5,18-22H2,1H3,(H2,32,33,37)/t27-/m0/s1" . "CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2" . "CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2" . "QZKGUNQLVFEEBA-UHFFFAOYSA-N" . "InChI=1S/C24H24N4/c1-27-14-16-28(17-15-27)19-12-10-18(11-13-19)25-24-20-6-2-4-8-22(20)26-23-9-5-3-7-21(23)24/h2-13H,14-17H2,1H3,(H,25,26)" . "CN(CCc1cccc(c1)c1c(C)nn(c1C)C)C" . "CN(CCc1cccc(c1)c1c(C)nn(c1C)C)C" . "MFUWRMRKXKCSPL-UHFFFAOYSA-N" . "InChI=1S/C16H23N3/c1-12-16(13(2)19(5)17-12)15-8-6-7-14(11-15)9-10-18(3)4/h6-8,11H,9-10H2,1-5H3" . "CN1CCC(CC1)C(=O)c1cccc(n1)NC(=O)c1c(F)cc(cc1F)F" . "CN1CCC(CC1)C(=O)c1cccc(n1)NC(=O)c1c(F)cc(cc1F)F" . "XEDHVZKDSYZQBF-UHFFFAOYSA-N" . "InChI=1S/C19H18F3N3O2/c1-25-7-5-11(6-8-25)18(26)15-3-2-4-16(23-15)24-19(27)17-13(21)9-12(20)10-14(17)22/h2-4,9-11H,5-8H2,1H3,(H,23,24,27)" . "CN1CCC(CC1)c1c[nH]c2c1cc(O)cc2" . "CN1CCC(CC1)c1c[nH]c2c1cc(O)cc2" . "WKNFADCGOAHBPG-UHFFFAOYSA-N" . "InChI=1S/C14H18N2O/c1-16-6-4-10(5-7-16)13-9-15-14-3-2-11(17)8-12(13)14/h2-3,8-10,15,17H,4-7H2,1H3" . "CN1CCN(CC1)c1ccc(c2c1oc(cc2=O)C(=O)Nc1ccc(cc1)N1CCOCC1)C" . "[11CH3]N1CCN(CC1)c1ccc(c2c1oc(cc2=O)C(=O)Nc1ccc(cc1)N1CCOCC1)C" . "JKPWOPNZKYPRPZ-JVVVGQRLSA-N" . "InChI=1S/C26H30N4O4/c1-18-3-8-21(30-11-9-28(2)10-12-30)25-24(18)22(31)17-23(34-25)26(32)27-19-4-6-20(7-5-19)29-13-15-33-16-14-29/h3-8,17H,9-16H2,1-2H3,(H,27,32)/i2-1" . "Cc1ccc(nc1)CNCC1(F)CCN(CC1)C(=O)c1ccc(c(c1)Cl)F" . "Cc1ccc(nc1)CNCC1(F)CCN(CC1)C(=O)c1ccc(c(c1)Cl)F" . "PKZXLMVXBZICTF-UHFFFAOYSA-N" . "InChI=1S/C20H22ClF2N3O/c1-14-2-4-16(25-11-14)12-24-13-20(23)6-8-26(9-7-20)19(27)15-3-5-18(22)17(21)10-15/h2-5,10-11,24H,6-9,12-13H2,1H3" . "Cc1cnc(nc1)CNCC1(F)CCN(CC1)C(=O)c1ccc(c(c1)Cl)F" . "Cc1cnc(nc1)CNCC1(F)CCN(CC1)C(=O)c1ccc(c(c1)Cl)F" . "WAAXKNFGOFTGLP-UHFFFAOYSA-N" . "InChI=1S/C19H21ClF2N4O/c1-13-9-24-17(25-10-13)11-23-12-19(22)4-6-26(7-5-19)18(27)14-2-3-16(21)15(20)8-14/h2-3,8-10,23H,4-7,11-12H2,1H3" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CCC(=O)N)CC(=O)N)CCCCN)CCCNC(=N)N)CCCCN)CCCNC(=N)N)C)CO)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(C(O)C)NC(=O)C(Cc1ccc(cc1)F)NC(=O)CNC(=O)CNC(=O)C(Cc1ccccc1)N)(C)C)CCCNC(=N)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCC(=O)N)CC(=O)N)CCCCN)CCCNC(=N)N)CCCCN)CCCNC(=N)N)C)CO)NC(=O)[C@@H](NC(=O)C(NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](Cc1ccc(cc1)F)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)N)(C)C)CCCNC(=N)N" . "GVIRJSRJRJCCJE-HCYVKCTOSA-N" . "InChI=1S/C83H139FN32O21/c1-44(67(125)107-54(22-14-34-98-80(92)93)70(128)108-51(19-8-11-31-85)69(127)111-55(23-15-35-99-81(94)95)71(129)109-52(20-9-12-32-86)72(130)112-58(39-61(90)120)75(133)106-50(66(91)124)29-30-60(89)119)104-77(135)59(43-117)113-73(131)53(21-10-13-33-87)110-74(132)56(24-16-36-100-82(96)97)114-79(137)83(3,4)116-64(123)42-103-78(136)65(45(2)118)115-76(134)57(38-47-25-27-48(84)28-26-47)105-63(122)41-101-62(121)40-102-68(126)49(88)37-46-17-6-5-7-18-46/h5-7,17-18,25-28,44-45,49-59,65,117-118H,8-16,19-24,29-43,85-88H2,1-4H3,(H2,89,119)(H2,90,120)(H2,91,124)(H,101,121)(H,102,126)(H,103,136)(H,104,135)(H,105,122)(H,106,133)(H,107,125)(H,108,128)(H,109,129)(H,110,132)(H,111,127)(H,112,130)(H,113,131)(H,114,137)(H,115,134)(H,116,123)(H4,92,93,98)(H4,94,95,99)(H4,96,97,100)/t44-,45+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1" . "CSCCC1NC(=O)C(CC(C)C)NC(=O)C2CNC(=O)CC(NC1=O)C(=O)NC(Cc1c[nH]c3c1cccc3)C(=O)NC(C(=O)N2)Cc1ccccc1" . "CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H]2CNC(=O)C[C@@H](NC1=O)C(=O)N[C@H](Cc1c[nH]c3c1cccc3)C(=O)N[C@H](C(=O)N2)Cc1ccccc1" . "CFDNUNSOUUFTQO-JYMVZIKVSA-N" . "InChI=1S/C38H48N8O7S/c1-21(2)15-27-34(49)41-26(13-14-54-3)33(48)45-30-18-32(47)40-20-31(38(53)42-27)46-35(50)28(16-22-9-5-4-6-10-22)43-36(51)29(44-37(30)52)17-23-19-39-25-12-8-7-11-24(23)25/h4-12,19,21,26-31,39H,13-18,20H2,1-3H3,(H,40,47)(H,41,49)(H,42,53)(H,43,51)(H,44,52)(H,45,48)(H,46,50)/t26-,27-,28-,29+,30+,31+/m0/s1" . "IC=CCN(C1CCc2c(C1)c(O)ccc2)CCC" . "I/C=C/CN([C@@H]1CCc2c(C1)c(O)ccc2)CCC" . "QBXHUZJZYDSLRH-RXTQTKKPSA-N" . "InChI=1S/C16H22INO/c1-2-10-18(11-4-9-17)14-8-7-13-5-3-6-16(19)15(13)12-14/h3-6,9,14,19H,2,7-8,10-12H2,1H3/b9-4-/t14-/m1/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)C)CC(C)C)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1c[nH]c2c1cccc2)N)CCCCN)CCCCN)CCCN=C(N)N)C)CO " . "CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O" . "WZZZEVMVZFWLNO-QYEYXIDWSA-N" . "InChI=1S/C86H134N26O18/c1-47(2)37-65(75(120)99-45-71(116)104-66(38-48(3)4)81(126)102-49(5)72(117)108-64(84(129)130)27-18-36-96-86(93)94)110-79(124)62(25-13-16-34-89)107-83(128)69(46-113)112-73(118)50(6)101-77(122)63(26-17-35-95-85(91)92)106-82(127)67(39-51-28-30-54(114)31-29-51)111-80(125)61(24-12-15-33-88)105-78(123)60(23-11-14-32-87)103-70(115)44-100-76(121)68(41-53-43-98-59-22-10-8-20-56(53)59)109-74(119)57(90)40-52-42-97-58-21-9-7-19-55(52)58/h7-10,19-22,28-31,42-43,47-50,57,60-69,97-98,113-114H,11-18,23-27,32-41,44-46,87-90H2,1-6H3,(H,99,120)(H,100,121)(H,101,122)(H,102,126)(H,103,115)(H,104,116)(H,105,123)(H,106,127)(H,107,128)(H,108,117)(H,109,119)(H,110,124)(H,111,125)(H,112,118)(H,129,130)(H4,91,92,95)(H4,93,94,96)/t49-,50-,57-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1" . "CC(CC1NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)Cc1c[nH]c2c1cccc2)CC(=O)O)CC(=O)N1CCC(CC1)c1ccccc1)c1cccs1)C" . "CC(C[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC1=O)Cc1c[nH]c2c1cccc2)CC(=O)O)CC(=O)N1CCC(CC1)c1ccccc1)c1cccs1)C" . "UOZMDLYHZJQAOO-YHIUFLQMSA-N" . "InChI=1S/C46H54N8O11S/c1-25(2)19-31-41(60)48-32(20-28-24-47-30-12-7-6-11-29(28)30)42(61)50-34(22-38(56)57)44(63)49-33(21-37(55)54-16-14-27(15-17-54)26-9-4-3-5-10-26)43(62)51-35(23-39(58)59)45(64)53-40(46(65)52-31)36-13-8-18-66-36/h3-13,18,24-25,27,31-35,40,47H,14-17,19-23H2,1-2H3,(H,48,60)(H,49,63)(H,50,61)(H,51,62)(H,52,65)(H,53,64)(H,56,57)(H,58,59)/t31-,32+,33-,34+,35-,40+/m0/s1" . "NCCCC(C(=O)NC(C(=O)N1C2CCCCC2CC1C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(CC)C)C(=O)O)Cc1ccc2c(c1)cccc2)CO)(Cc1ccccc1)C)CCCN=C(N)N)NC(=O)C" . "NCCC[C@@H](C(=O)N[C@H](C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)Cc1ccc2c(c1)cccc2)CO)(Cc1ccccc1)C)CCCN=C(N)N)NC(=O)C" . "JDPPVMXSBUBLMX-IRXBPQMASA-N" . "InChI=1S/C61H87N13O12/c1-5-36(2)51(58(84)85)71-53(79)45(31-39-25-26-40-18-9-10-19-41(40)30-39)69-54(80)46(35-75)70-59(86)61(4,33-38-16-7-6-8-17-38)72-50(77)34-66-55(81)48-24-15-29-73(48)57(83)49-32-42-20-11-12-23-47(42)74(49)56(82)44(22-14-28-65-60(63)64)68-52(78)43(21-13-27-62)67-37(3)76/h6-10,16-19,25-26,30,36,42-49,51,75H,5,11-15,20-24,27-29,31-35,62H2,1-4H3,(H,66,81)(H,67,76)(H,68,78)(H,69,80)(H,70,86)(H,71,79)(H,72,77)(H,84,85)(H4,63,64,65)/t36-,42-,43-,44-,45+,46-,47-,48-,49-,51-,61-/m0/s1" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)C(O)C)C(CC)C)CC(C)C)CC(=O)N)C(CC)C)Cc1ccc(cc1)O)Cc1nc[nH]c1)CCCN=C(N)N)CC(C)C)C)CO)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CCCN=C(N)N)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1)C)CCC(=O)O)CC(=O)O" . "CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)[C@H](O)C)[C@H](CC)C)CC(C)C)CC(=O)N)[C@H](CC)C)Cc1ccc(cc1)O)Cc1nc[nH]c1)CCCN=C(N)N)CC(C)C)C)CO)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CCCN=C(N)N)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C)CCC(=O)O)CC(=O)O" . "WNYKZOWMSHGMPJ-YGPTWXQHSA-N" . "InChI=1S/C134H206N40O37S/c1-14-67(7)104(127(207)169-96(60-101(136)182)122(202)163-91(54-66(5)6)124(204)173-105(68(8)15-2)128(208)174-106(72(12)176)129(209)161-86(25-20-51-150-134(143)144)112(192)159-87(42-44-100(135)181)116(196)157-85(24-19-50-149-133(141)142)115(195)170-98(130(210)211)58-76-32-40-81(180)41-33-76)172-125(205)94(57-75-30-38-80(179)39-31-75)166-121(201)95(59-77-62-145-64-151-77)167-114(194)84(23-18-49-148-132(139)140)158-118(198)90(53-65(3)4)162-109(189)71(11)154-126(206)99(63-175)171-120(200)93(56-74-28-36-79(178)37-29-74)165-119(199)92(55-73-26-34-78(177)35-27-73)164-113(193)83(22-17-48-147-131(137)138)155-107(187)70(10)153-111(191)89(46-52-212-13)160-123(203)97(61-103(185)186)168-117(197)88(43-45-102(183)184)156-108(188)69(9)152-110(190)82-21-16-47-146-82/h26-41,62,64-72,82-99,104-106,146,175-180H,14-25,42-61,63H2,1-13H3,(H2,135,181)(H2,136,182)(H,145,151)(H,152,190)(H,153,191)(H,154,206)(H,155,187)(H,156,188)(H,157,196)(H,158,198)(H,159,192)(H,160,203)(H,161,209)(H,162,189)(H,163,202)(H,164,193)(H,165,199)(H,166,201)(H,167,194)(H,168,197)(H,169,207)(H,170,195)(H,171,200)(H,172,205)(H,173,204)(H,174,208)(H,183,184)(H,185,186)(H,210,211)(H4,137,138,147)(H4,139,140,148)(H4,141,142,149)(H4,143,144,150)/t67-,68-,69-,70-,71-,72+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,104-,105-,106-/m0/s1" . "OC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)CCCN=C(N)N)CC(C)C)Cc1ccc2c(c1)cccc2)Cc1ccc(cc1)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)Cc1[nH]cnc1" . "CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](Cc1cc2ccccc2cc1)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1" . "RWHUEXWOYVBUCI-ITQXDASVSA-N" . "InChI=1S/C66H83N17O13/c1-36(2)25-48(58(89)76-47(13-7-23-71-66(68)69)65(96)83-24-8-14-54(83)64(95)73-33-55(67)86)77-60(91)50(28-38-15-18-39-9-3-4-10-40(39)26-38)78-59(90)49(27-37-16-19-43(85)20-17-37)79-63(94)53(34-84)82-61(92)51(29-41-31-72-45-12-6-5-11-44(41)45)80-62(93)52(30-42-32-70-35-74-42)81-57(88)46-21-22-56(87)75-46/h3-6,9-12,15-20,26,31-32,35-36,46-54,72,84-85H,7-8,13-14,21-25,27-30,33-34H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,90)(H,79,94)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71)/t46-,47-,48-,49-,50+,51-,52-,53-,54-/m0/s1" . "CCCN(C1CCc2c(C1)cc(cc2)O)CCC" . "CCCN(C1CCc2c(C1)cc(cc2)O)CCC" . "BLYMJBIZMIGWFK-UHFFFAOYSA-N" . "InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(CC)C)C(=O)O)C(O)C)CC(=O)O)CC(C)C)CC(C)C)CC(C)C)CCCN=C(N)N)CC(=O)N)CC(=O)N)C)C)CCC(=O)N)CCC(=O)N)CCCCN)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)N)Cc1nc[nH]c1)CC(C)C)CC(C)C)CCCN=C(N)N)CCCCN)CCC(=O)O)CCC(=O)O)CCCCN)CCC(=O)N)CCC(=O)O" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)[C@H](O)C)CC(=O)O)CC(C)C)CC(C)C)CC(C)C)CCCN=C(N)N)CC(=O)N)CC(=O)N)C)C)CCC(=O)N)CCC(=O)N)CCCCN)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)N)Cc1nc[nH]c1)CC(C)C)CC(C)C)CCCN=C(N)N)CCCCN)CCC(=O)O)CCC(=O)O)CCCCN)CCC(=O)N)CCC(=O)O" . "NXDTZPDUWWAHAM-JXLAGIIJSA-N" . "InChI=1S/C156H264N46O46/c1-20-81(14)122(199-140(233)93(41-29-33-61-160)180-133(226)94(42-34-62-172-155(167)168)181-142(235)103(64-76(4)5)193-145(238)106(67-79(10)11)196-147(240)108(70-88-74-171-75-174-88)191-128(221)89(161)69-87-36-24-23-25-37-87)152(245)189-102(50-57-120(215)216)141(234)200-123(82(15)21-2)151(244)188-101(49-56-119(213)214)139(232)179-91(39-27-31-59-158)131(224)185-98(46-53-114(164)206)136(229)187-100(48-55-118(211)212)138(231)178-92(40-28-32-60-159)132(225)186-99(47-54-117(209)210)137(230)177-90(38-26-30-58-157)130(223)184-97(45-52-113(163)205)135(228)183-96(44-51-112(162)204)129(222)176-84(17)126(219)175-85(18)127(220)190-109(71-115(165)207)149(242)197-110(72-116(166)208)148(241)182-95(43-35-63-173-156(169)170)134(227)192-104(65-77(6)7)143(236)194-105(66-78(8)9)144(237)195-107(68-80(12)13)146(239)198-111(73-121(217)218)150(243)202-125(86(19)203)153(246)201-124(154(247)248)83(16)22-3/h23-25,36-37,74-86,89-111,122-125,203H,20-22,26-35,38-73,157-161H2,1-19H3,(H2,162,204)(H2,163,205)(H2,164,206)(H2,165,207)(H2,166,208)(H,171,174)(H,175,219)(H,176,222)(H,177,230)(H,178,231)(H,179,232)(H,180,226)(H,181,235)(H,182,241)(H,183,228)(H,184,223)(H,185,224)(H,186,225)(H,187,229)(H,188,244)(H,189,245)(H,190,220)(H,191,221)(H,192,227)(H,193,238)(H,194,236)(H,195,237)(H,196,240)(H,197,242)(H,198,239)(H,199,233)(H,200,234)(H,201,246)(H,202,243)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H,247,248)(H4,167,168,172)(H4,169,170,173)/t81-,82-,83-,84-,85-,86+,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,122-,123-,124-,125-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(CC)C)C(=O)O)C(O)C)CC(=O)O)CC(C)C)CC(C)C)CC(C)C)CCCN=C(N)N)CC(=O)N)CC(=O)N)C)C)CCC(=O)N)CCC(=O)N)CCCCN)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)Cc1c[nH]cn1)CC(C)C)CC(C)C)CCCN=C(N)N)CCCCN)CCC(=O)O)CCC(=O)O)CCCCN)CCC(=O)N)CCC(=O)O" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)[C@H](O)C)CC(=O)O)CC(C)C)CC(C)C)CC(C)C)CCCN=C(N)N)CC(=O)N)CC(=O)N)C)C)CCC(=O)N)CCC(=O)N)CCCCN)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)Cc1c[nH]cn1)CC(C)C)CC(C)C)CCCN=C(N)N)CCCCN)CCC(=O)O)CCC(=O)O)CCCCN)CCC(=O)N)CCC(=O)O" . "MTYZMMGEGHDKQA-WQJRYCLWSA-N" . "InChI=1S/C156H264N46O47/c1-20-80(14)122(199-140(234)93(36-26-30-60-160)180-133(227)94(37-31-61-172-155(167)168)181-142(236)103(63-75(4)5)193-145(239)106(66-78(10)11)196-147(241)108(69-87-73-171-74-174-87)191-128(222)89(161)68-86-39-41-88(204)42-40-86)152(246)189-102(49-56-120(216)217)141(235)200-123(81(15)21-2)151(245)188-101(48-55-119(214)215)139(233)179-91(34-24-28-58-158)131(225)185-98(45-52-114(164)207)136(230)187-100(47-54-118(212)213)138(232)178-92(35-25-29-59-159)132(226)186-99(46-53-117(210)211)137(231)177-90(33-23-27-57-157)130(224)184-97(44-51-113(163)206)135(229)183-96(43-50-112(162)205)129(223)176-83(17)126(220)175-84(18)127(221)190-109(70-115(165)208)149(243)197-110(71-116(166)209)148(242)182-95(38-32-62-173-156(169)170)134(228)192-104(64-76(6)7)143(237)194-105(65-77(8)9)144(238)195-107(67-79(12)13)146(240)198-111(72-121(218)219)150(244)202-125(85(19)203)153(247)201-124(154(248)249)82(16)22-3/h39-42,73-85,89-111,122-125,203-204H,20-38,43-72,157-161H2,1-19H3,(H2,162,205)(H2,163,206)(H2,164,207)(H2,165,208)(H2,166,209)(H,171,174)(H,175,220)(H,176,223)(H,177,231)(H,178,232)(H,179,233)(H,180,227)(H,181,236)(H,182,242)(H,183,229)(H,184,224)(H,185,225)(H,186,226)(H,187,230)(H,188,245)(H,189,246)(H,190,221)(H,191,222)(H,192,228)(H,193,239)(H,194,237)(H,195,238)(H,196,241)(H,197,243)(H,198,240)(H,199,234)(H,200,235)(H,201,247)(H,202,244)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H,218,219)(H,248,249)(H4,167,168,172)(H4,169,170,173)/t80-,81-,82-,83-,84-,85+,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,122-,123-,124-,125-/m0/s1" . "CCCCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)OCCc1ccccc1)CC(=O)O)CCCC)Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)OC(C)(C)C)Cc1ccc(cc1)OS(=O)(=O)O" . "CCCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)OCCc1ccccc1)CC(=O)O)CCCC)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)OC(C)(C)C)Cc1ccc(cc1)OS(=O)(=O)O" . "IOXMTWKALARBDR-FDXDWZSASA-N" . "InChI=1S/C51H67N7O15S/c1-6-8-18-38(55-47(64)40(58-50(67)72-51(3,4)5)27-33-21-23-35(24-22-33)73-74(68,69)70)45(62)53-31-43(59)54-41(28-34-30-52-37-20-14-13-17-36(34)37)48(65)56-39(19-9-7-2)46(63)57-42(29-44(60)61)49(66)71-26-25-32-15-11-10-12-16-32/h10-17,20-24,30,38-42,52H,6-9,18-19,25-29,31H2,1-5H3,(H,53,62)(H,54,59)(H,55,64)(H,56,65)(H,57,63)(H,58,67)(H,60,61)(H,68,69,70)/t38-,39-,40-,41-,42-/m0/s1" . "Cc1cc(C)cc(c1)C(=O)N(C(C(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)Cc1ccc(cc1)c1ccccc1)C" . "Cc1cc(C)cc(c1)C(=O)N([C@@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)Cc1ccc(cc1)c1ccccc1)C" . "UZDORQWMYRRLQV-JHOUSYSJSA-N" . "InChI=1S/C36H35N3O4/c1-23-17-24(2)19-28(18-23)35(41)39(3)33(20-25-13-15-27(16-14-25)26-9-5-4-6-10-26)34(40)38-32(36(42)43)21-29-22-37-31-12-8-7-11-30(29)31/h4-19,22,32-33,37H,20-21H2,1-3H3,(H,38,40)(H,42,43)/t32-,33+/m0/s1" . "CCC(C(C(=O)NC(C(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CCC(=O)O)CC(=O)O)CCC(=O)O)CCC(=O)O)C)Cc1ccc(cc1)O)Cc1ccccc1)C)Cc1nc[nH]c1)CC(C)C)CC(=O)O)C" . "CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)[C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC(=O)O)CC(=O)O)CCC(=O)O)CCC(=O)O)C)Cc1ccc(cc1)O)Cc1ccccc1)C)Cc1nc[nH]c1)CC(C)C)CC(=O)O)C" . "DXPHNGAMYPPTBJ-TZMIJSMNSA-N" . "InChI=1S/C86H117N17O27/c1-11-44(7)71(84(127)100-63(86(129)130)35-50-39-88-54-21-17-16-20-53(50)54)103-85(128)72(45(8)12-2)102-82(125)62(38-69(114)115)98-78(121)57(32-42(3)4)96-80(123)60(36-51-40-87-41-89-51)95-73(116)46(9)91-77(120)58(33-48-18-14-13-15-19-48)97-79(122)59(34-49-22-24-52(104)25-23-49)99-83(126)70(43(5)6)101-74(117)47(10)90-75(118)55(26-29-65(106)107)93-76(119)56(27-30-66(108)109)94-81(124)61(37-68(112)113)92-64(105)28-31-67(110)111/h13-25,39-47,55-63,70-72,88,104H,11-12,26-38H2,1-10H3,(H,87,89)(H,90,118)(H,91,120)(H,92,105)(H,93,119)(H,94,124)(H,95,116)(H,96,123)(H,97,122)(H,98,121)(H,99,126)(H,100,127)(H,101,117)(H,102,125)(H,103,128)(H,106,107)(H,108,109)(H,110,111)(H,112,113)(H,114,115)(H,129,130)/t44-,45-,46-,47-,55-,56-,57-,58-,59-,60-,61-,62-,63-,70-,71-,72-/m0/s1" . "O=C(NC(C(=O)O)CCCN=C(N)N)COCC(c1ccccc1)c1ccccc1" . "O=C(N[C@H](C(=O)O)CCCN=C(N)N)COCC(c1ccccc1)c1ccccc1" . "RRKKJYBCPXAJAO-IBGZPJMESA-N" . "InChI=1S/C22H28N4O4/c23-22(24)25-13-7-12-19(21(28)29)26-20(27)15-30-14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,26,27)(H,28,29)(H4,23,24,25)/t19-/m0/s1" . "CCNC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(Cc1ncn(c1)Cc1ccccc1)NC(=O)C(Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1)CO)CC(C)C)CCCN=C(N)N" . "CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1ncn(c1)Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)CO)CC(C)C)CCCN=C(N)N" . "HHXHVIJIIXKSOE-QILQGKCVSA-N" . "InChI=1S/C66H86N18O12/c1-4-70-64(95)55-17-11-25-84(55)65(96)48(16-10-24-71-66(67)68)76-58(89)49(26-38(2)3)77-62(93)53(30-43-34-83(37-74-43)33-40-12-6-5-7-13-40)81-59(90)50(27-39-18-20-44(86)21-19-39)78-63(94)54(35-85)82-60(91)51(28-41-31-72-46-15-9-8-14-45(41)46)79-61(92)52(29-42-32-69-36-73-42)80-57(88)47-22-23-56(87)75-47/h5-9,12-15,18-21,31-32,34,36-38,47-55,72,85-86H,4,10-11,16-17,22-30,33,35H2,1-3H3,(H,69,73)(H,70,95)(H,75,87)(H,76,89)(H,77,93)(H,78,94)(H,79,92)(H,80,88)(H,81,90)(H,82,91)(H4,67,68,71)/t47-,48-,49-,50-,51-,52-,53+,54-,55-/m0/s1" . "CCC(C(C(=O)N)NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)c1ccccc1)C)C)Cc1ccccc1)C" . "CC[C@@H]([C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccccc1)C)C)Cc1ccccc1)C" . "KIPTYYXCLIQOHM-KKMBCTKYSA-N" . "InChI=1S/C49H61N9O8/c1-5-29(2)41(42(50)59)56-47(64)39-22-14-24-57(39)49(66)40-23-15-25-58(40)48(65)38(26-32-16-8-6-9-17-32)55-46(63)37(27-34-28-51-36-21-13-12-20-35(34)36)54-44(61)31(4)52-43(60)30(3)53-45(62)33-18-10-7-11-19-33/h6-13,16-21,28-31,37-41,51H,5,14-15,22-27H2,1-4H3,(H2,50,59)(H,52,60)(H,53,62)(H,54,61)(H,55,63)(H,56,64)/t29-,30-,31-,37+,38-,39-,40+,41-/m0/s1" . "O=C(NC(C(=O)NC(C(=O)NC(C(=O)N(C)C)Cc1ccccc1)Cc1c[nH]c2c1cccc2)C)CNC(=O)C1CCCCC1" . "O=C(N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N(C)C)Cc1ccccc1)Cc1c[nH]c2c1cccc2)C)CNC(=O)C1CCCCC1" . "IBHXDZADSPABSD-GJDOKZOISA-N" . "InChI=1S/C34H44N6O5/c1-22(37-30(41)21-36-32(43)24-14-8-5-9-15-24)31(42)38-28(19-25-20-35-27-17-11-10-16-26(25)27)33(44)39-29(34(45)40(2)3)18-23-12-6-4-7-13-23/h4,6-7,10-13,16-17,20,22,24,28-29,35H,5,8-9,14-15,18-19,21H2,1-3H3,(H,36,43)(H,37,41)(H,38,42)(H,39,44)/t22-,28+,29-/m0/s1" . "OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NNC(=O)N)CCCN=C(N)N)CC(C)C)COC(C)(C)C)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCC(=O)N1)Cc1[nH]cnc1" . "OC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NNC(=O)N)CCCN=C(N)N)CC(C)C)COC(C)(C)C)Cc1ccc(cc1)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)Cc1[nH]cnc1" . "BLCLNMBMMGCOAS-URPVMXJPSA-N" . "InChI=1S/C59H84N18O14/c1-31(2)22-40(49(82)68-39(12-8-20-64-57(60)61)56(89)77-21-9-13-46(77)55(88)75-76-58(62)90)69-54(87)45(29-91-59(3,4)5)74-50(83)41(23-32-14-16-35(79)17-15-32)70-53(86)44(28-78)73-51(84)42(24-33-26-65-37-11-7-6-10-36(33)37)71-52(85)43(25-34-27-63-30-66-34)72-48(81)38-18-19-47(80)67-38/h6-7,10-11,14-17,26-27,30-31,38-46,65,78-79H,8-9,12-13,18-25,28-29H2,1-5H3,(H,63,66)(H,67,80)(H,68,82)(H,69,87)(H,70,86)(H,71,85)(H,72,81)(H,73,84)(H,74,83)(H,75,88)(H4,60,61,64)(H3,62,76,90)/t38-,39-,40-,41-,42-,43-,44-,45+,46-/m0/s1" . "CCNC(=NCCCCC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N)C)CCCCN=C(NCC)NCC)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc2c(c1)cccc2)NC(=O)C)Cc1ccc(cc1)Cl)Cc1cccnc1)CO)Cc1ccc(cc1)O)NCC" . "CCNC(=NCCCC[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCCC1C(=O)N[C@@H](C(=O)N)C)CCCCN=C(NCC)NCC)CC(C)C)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(Cc1ccc2c(c1)cccc2)NC(=O)C)Cc1ccc(cc1)Cl)Cc1cccnc1)CO)Cc1ccc(cc1)O)NCC" . "GJNXBNATEDXMAK-RXXWGPEVSA-N" . "InChI=1S/C80H113ClN18O13/c1-9-84-79(85-10-2)88-38-17-15-24-60(70(104)94-62(41-49(5)6)71(105)93-61(25-16-18-39-89-80(86-11-3)87-12-4)78(112)99-40-20-26-68(99)77(111)90-50(7)69(82)103)92-73(107)64(44-53-30-35-59(102)36-31-53)97-76(110)67(48-100)98-75(109)66(46-55-21-19-37-83-47-55)96-74(108)65(43-52-28-33-58(81)34-29-52)95-72(106)63(91-51(8)101)45-54-27-32-56-22-13-14-23-57(56)42-54/h13-14,19,21-23,27-37,42,47,49-50,60-68,100,102H,9-12,15-18,20,24-26,38-41,43-46,48H2,1-8H3,(H2,82,103)(H,90,111)(H,91,101)(H,92,107)(H,93,105)(H,94,104)(H,95,106)(H,96,108)(H,97,110)(H,98,109)(H2,84,85,88)(H2,86,87,89)/t50-,60-,61+,62+,63?,64-,65+,66+,67-,68?/m1/s1" . "NCCCCC(C(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccccc1)CO)Cc1ccccc1)CCCN=C(N)N)N " . "NCCCC[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O" . "AILVBOHFGXNHCC-TZPCGENMSA-N" . "InChI=1S/C50H73N13O11/c51-22-8-7-17-33(52)42(66)58-34(18-9-23-55-50(53)54)46(70)63-26-12-21-40(63)48(72)62-25-10-19-38(62)44(68)56-29-41(65)57-35(27-31-13-3-1-4-14-31)43(67)60-37(30-64)47(71)61-24-11-20-39(61)45(69)59-36(49(73)74)28-32-15-5-2-6-16-32/h1-6,13-16,33-40,64H,7-12,17-30,51-52H2,(H,56,68)(H,57,65)(H,58,66)(H,59,69)(H,60,67)(H,73,74)(H4,53,54,55)/t33-,34-,35-,36-,37-,38-,39-,40-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)C(O)C)CC(C)C)CC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(Cc1c[nH]c2c1cccc2)N)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)C)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)CO)CC(=O)O " . "CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O" . "ZXUSESRUZIGRGN-UGPLCUGJSA-N" . "InChI=1S/C134H202N40O40/c1-63(2)38-83(159-118(198)85(40-65(5)6)160-120(200)87(43-73-31-33-77(180)34-32-73)155-102(184)54-146-110(190)68(11)152-127(207)95(58-175)169-124(204)93(49-101(139)183)164-119(199)86(41-66(7)8)167-132(212)108(70(13)178)172-112(192)79(136)44-74-51-145-80-27-19-18-26-78(74)80)113(193)149-57-105(187)174-37-23-30-98(174)130(210)166-89(45-75-52-142-61-150-75)117(197)153-69(12)111(191)171-107(67(9)10)131(211)148-56-104(186)156-92(48-100(138)182)123(203)162-90(46-76-53-143-62-151-76)122(202)158-82(29-22-36-144-134(140)141)116(196)168-96(59-176)128(208)161-88(42-72-24-16-15-17-25-72)121(201)170-97(60-177)129(209)165-94(50-106(188)189)125(205)157-81(28-20-21-35-135)115(195)163-91(47-99(137)181)114(194)147-55-103(185)154-84(39-64(3)4)126(206)173-109(71(14)179)133(213)214/h15-19,24-27,31-34,51-53,61-71,79,81-98,107-109,145,175-180H,20-23,28-30,35-50,54-60,135-136H2,1-14H3,(H2,137,181)(H2,138,182)(H2,139,183)(H,142,150)(H,143,151)(H,146,190)(H,147,194)(H,148,211)(H,149,193)(H,152,207)(H,153,197)(H,154,185)(H,155,184)(H,156,186)(H,157,205)(H,158,202)(H,159,198)(H,160,200)(H,161,208)(H,162,203)(H,163,195)(H,164,199)(H,165,209)(H,166,210)(H,167,212)(H,168,196)(H,169,204)(H,170,201)(H,171,191)(H,172,192)(H,173,206)(H,188,189)(H,213,214)(H4,140,141,144)/t68-,69-,70+,71+,79-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,107-,108-,109-/m0/s1" . "CC(CC(C(=O)NC(C(=O)O)C(O)C)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)COC(C)(C)C)C" . "CC(C[C@@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)COC(C)(C)C)C" . "DOMQMNWQZKXZCU-GUVNKXFDSA-N" . "InChI=1S/C37H54N6O10/c1-21(2)16-27(35(50)43-31(22(3)44)36(51)52)41-34(49)28(18-23-10-8-7-9-11-23)40-30(46)19-39-33(48)29(20-53-37(4,5)6)42-32(47)26(38)17-24-12-14-25(45)15-13-24/h7-15,21-22,26-29,31,44-45H,16-20,38H2,1-6H3,(H,39,48)(H,40,46)(H,41,49)(H,42,47)(H,43,50)(H,51,52)/t22-,26+,27+,28+,29-,31+/m1/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)C(O)C)CC(C)C)CC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CN)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)C)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)CO)CC(=O)O " . "CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O" . "YWWOWEJNZKADMM-INAUZTMPSA-N" . "InChI=1S/C136H205N41O41/c1-64(2)38-83(162-119(201)85(40-66(5)6)163-121(203)87(43-74-31-33-78(183)34-32-74)158-104(188)55-148-112(194)69(11)154-129(211)96(59-178)172-125(207)94(49-102(141)186)167-120(202)86(41-67(7)8)170-134(216)110(71(13)181)175-128(210)89(156-103(187)51-138)44-75-52-147-80-27-19-18-26-79(75)80)114(196)151-58-107(191)177-37-23-30-99(177)132(214)169-90(45-76-53-144-62-152-76)118(200)155-70(12)113(195)174-109(68(9)10)133(215)150-57-106(190)159-93(48-101(140)185)124(206)165-91(46-77-54-145-63-153-77)123(205)161-82(29-22-36-146-136(142)143)117(199)171-97(60-179)130(212)164-88(42-73-24-16-15-17-25-73)122(204)173-98(61-180)131(213)168-95(50-108(192)193)126(208)160-81(28-20-21-35-137)116(198)166-92(47-100(139)184)115(197)149-56-105(189)157-84(39-65(3)4)127(209)176-111(72(14)182)135(217)218/h15-19,24-27,31-34,52-54,62-72,81-99,109-111,147,178-183H,20-23,28-30,35-51,55-61,137-138H2,1-14H3,(H2,139,184)(H2,140,185)(H2,141,186)(H,144,152)(H,145,153)(H,148,194)(H,149,197)(H,150,215)(H,151,196)(H,154,211)(H,155,200)(H,156,187)(H,157,189)(H,158,188)(H,159,190)(H,160,208)(H,161,205)(H,162,201)(H,163,203)(H,164,212)(H,165,206)(H,166,198)(H,167,202)(H,168,213)(H,169,214)(H,170,216)(H,171,199)(H,172,207)(H,173,204)(H,174,195)(H,175,210)(H,176,209)(H,192,193)(H,217,218)(H4,142,143,146)/t69-,70-,71+,72+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,109-,110-,111-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(CC)C)C(=O)O)C(CC)C)CCC(=O)O)CCSC)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)N)Cc1nc[nH]c1)CC(C)C)CC(C)C)CCCN=C(N)N)CCC(=O)O)CC(C)C)CCC(=O)O)CCSC)C)CCCN=C(N)N)C)CCC(=O)O)CCC(=O)N)CC(C)C)C)CCC(=O)N)CCC(=O)N)C)Cc1nc[nH]c1)CO)CC(=O)N)CCCN=C(N)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)[C@H](CC)C)CCC(=O)O)CCSC)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)N)Cc1nc[nH]c1)CC(C)C)CC(C)C)CCCN=C(N)N)CCC(=O)O)CC(C)C)CCC(=O)O)CCSC)C)CCCN=C(N)N)C)CCC(=O)O)CCC(=O)N)CC(C)C)C)CCC(=O)N)CCC(=O)N)C)Cc1nc[nH]c1)CO)CC(=O)N)CCCN=C(N)N" . "ROYJPMVPEBZLCY-FEYNDHCKSA-N" . "InChI=1S/C156H260N48O44S2/c1-23-81(15)122(152(246)204-123(153(247)248)82(16)24-2)203-141(235)101(45-52-120(216)217)189-139(233)103(54-60-250-22)192-144(238)105(62-76(5)6)196-134(228)91(35-28-29-55-157)183-132(226)93(37-31-57-172-155(165)166)185-149(243)111(69-116(162)209)199-150(244)112(72-205)201-148(242)109(67-88-70-169-73-174-88)193-127(221)86(20)177-130(224)95(39-46-113(159)206)186-135(229)96(40-47-114(160)207)181-126(220)85(19)179-142(236)104(61-75(3)4)195-138(232)97(41-48-115(161)208)187-136(230)98(42-49-117(210)211)182-125(219)84(18)176-129(223)92(36-30-56-171-154(163)164)180-124(218)83(17)178-131(225)102(53-59-249-21)191-137(231)99(43-50-118(212)213)190-145(239)108(65-79(11)12)200-151(245)121(80(13)14)202-140(234)100(44-51-119(214)215)188-133(227)94(38-32-58-173-156(167)168)184-143(237)106(63-77(7)8)197-146(240)107(64-78(9)10)198-147(241)110(68-89-71-170-74-175-89)194-128(222)90(158)66-87-33-26-25-27-34-87/h25-27,33-34,70-71,73-86,90-112,121-123,205H,23-24,28-32,35-69,72,157-158H2,1-22H3,(H2,159,206)(H2,160,207)(H2,161,208)(H2,162,209)(H,169,174)(H,170,175)(H,176,223)(H,177,224)(H,178,225)(H,179,236)(H,180,218)(H,181,220)(H,182,219)(H,183,226)(H,184,237)(H,185,243)(H,186,229)(H,187,230)(H,188,227)(H,189,233)(H,190,239)(H,191,231)(H,192,238)(H,193,221)(H,194,222)(H,195,232)(H,196,228)(H,197,240)(H,198,241)(H,199,244)(H,200,245)(H,201,242)(H,202,234)(H,203,235)(H,204,246)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H,247,248)(H4,163,164,171)(H4,165,166,172)(H4,167,168,173)/t81-,82-,83-,84-,85-,86-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,121-,122-,123-/m0/s1" . "NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)Cc1ccccc1)Cc1c[nH]c2c1cccc2)CCC(=O)N)CCC(=O)N)NC(=O)C1CCCN1C(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CN)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)CCCN=C(N)N " . "CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)O" . "LMKCQJDUNDMDCV-IQXDOVLOSA-N" . "InChI=1S/C138H198N34O31/c1-72(2)54-95(159-121(186)96(55-73(3)4)160-124(189)99(60-80-41-43-84(175)44-42-80)154-114(180)69-150-117(182)77(11)152-130(195)106(71-173)168-128(193)104(64-112(143)178)165-122(187)98(57-75(7)8)166-134(199)116(78(12)174)169-129(194)101(153-113(179)65-140)61-81-66-147-88-33-19-16-30-85(81)88)118(183)151-70-115(181)170-51-25-38-107(170)131(196)158-94(37-24-50-146-138(144)145)136(201)172-53-27-40-109(172)133(198)157-93(36-22-23-49-139)135(200)171-52-26-39-108(171)132(197)156-92(46-48-111(142)177)119(184)155-91(45-47-110(141)176)120(185)163-102(62-82-67-148-89-34-20-17-31-86(82)89)127(192)162-100(59-79-28-14-13-15-29-79)125(190)164-103(63-83-68-149-90-35-21-18-32-87(83)90)126(191)161-97(56-74(5)6)123(188)167-105(137(202)203)58-76(9)10/h13-21,28-35,41-44,66-68,72-78,91-109,116,147-149,173-175H,22-27,36-40,45-65,69-71,139-140H2,1-12H3,(H2,141,176)(H2,142,177)(H2,143,178)(H,150,182)(H,151,183)(H,152,195)(H,153,179)(H,154,180)(H,155,184)(H,156,197)(H,157,198)(H,158,196)(H,159,186)(H,160,189)(H,161,191)(H,162,192)(H,163,185)(H,164,190)(H,165,187)(H,166,199)(H,167,188)(H,168,193)(H,169,194)(H,202,203)(H4,144,145,146)/t77-,78+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,116-/m0/s1" . "NCCc1c[nH]c2c1cc(OCc1ccccc1)cc2" . "NCCc1c[nH]c2c1cc(OCc1ccccc1)cc2" . "WKPDXBXNJWWWGQ-UHFFFAOYSA-N" . "InChI=1S/C17H18N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12,18H2" . "CCNC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1)CO)COC(C)(C)C)CC(C)C)CCCN=C(N)N" . "CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)CO)COC(C)(C)C)CC(C)C)CCCN=C(N)N" . "CUWODFFVMXJOKD-UVLQAERKSA-N" . "InChI=1S/C60H86N16O13/c1-7-64-57(87)48-15-11-23-76(48)58(88)41(14-10-22-65-59(61)62)69-51(81)42(24-33(2)3)70-56(86)47(31-89-60(4,5)6)75-52(82)43(25-34-16-18-37(78)19-17-34)71-55(85)46(30-77)74-53(83)44(26-35-28-66-39-13-9-8-12-38(35)39)72-54(84)45(27-36-29-63-32-67-36)73-50(80)40-20-21-49(79)68-40/h8-9,12-13,16-19,28-29,32-33,40-48,66,77-78H,7,10-11,14-15,20-27,30-31H2,1-6H3,(H,63,67)(H,64,87)(H,68,79)(H,69,81)(H,70,86)(H,71,85)(H,72,84)(H,73,80)(H,74,83)(H,75,82)(H4,61,62,65)/t40-,41-,42-,43-,44-,45-,46-,47+,48-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)C(C)C)C(CC)C)CC(=O)O)CC(C)C)Cc1nc[nH]c1)C)Cc1ccccc1)Cc1ccc(cc1)O)C(C)C)C)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CC(C)C)CCSC)CC(=O)O" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)C(C)C)[C@H](CC)C)CC(=O)O)CC(C)C)Cc1nc[nH]c1)C)Cc1ccccc1)Cc1ccc(cc1)O)C(C)C)C)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)CCSC)CC(=O)O" . "KBQLINQFUQUHIY-SGOWJZKMSA-N" . "InChI=1S/C95H138N20O25S/c1-15-52(10)79(94(138)114-78(51(8)9)93(137)112-73(95(139)140)41-58-45-98-62-26-20-19-25-61(58)62)115-91(135)72(44-76(122)123)110-87(131)67(38-49(4)5)107-89(133)70(42-59-46-97-47-99-59)106-80(124)53(11)101-85(129)68(39-56-23-17-16-18-24-56)108-88(132)69(40-57-28-30-60(117)31-29-57)111-92(136)77(50(6)7)113-81(125)54(12)100-82(126)64(32-33-74(118)119)104-83(127)63(27-21-22-35-96)103-90(134)71(43-75(120)121)109-84(128)65(34-36-141-14)105-86(130)66(37-48(2)3)102-55(13)116/h16-20,23-26,28-31,45-54,63-73,77-79,98,117H,15,21-22,27,32-44,96H2,1-14H3,(H,97,99)(H,100,126)(H,101,129)(H,102,116)(H,103,134)(H,104,127)(H,105,130)(H,106,124)(H,107,133)(H,108,132)(H,109,128)(H,110,131)(H,111,136)(H,112,137)(H,113,125)(H,114,138)(H,115,135)(H,118,119)(H,120,121)(H,122,123)(H,139,140)/t52-,53-,54-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,77-,78-,79-/m0/s1" . "OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)CC(=O)N)CCCN=C(N)N)CCCN=C(N)N)Cc1ccccc1)CC(C)C)Cc1ccccc1)Cc1ccc(cc1)O)CCCN=C(N)N)CO)CCC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(Cc1ccccc1)N)CCCN=C(N)N)CC(=O)O)CCC(=O)O)CCC(=O)O)Cc1ccccc1)CCC(=O)N)CO)Cc1ccccc1)C " . "CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O" . "MONONPDJQRYSOP-YJFQKBDPSA-N" . "InChI=1S/C141H202N40O39/c1-74(2)61-93(124(206)171-97(65-80-33-17-9-18-34-80)127(209)168-92(40-24-58-157-141(152)153)135(217)180-59-25-41-104(180)132(214)167-86(38-22-56-155-139(148)149)117(199)175-100(137(219)220)68-108(145)188)169-128(210)98(66-81-35-19-10-20-36-81)172-125(207)94(67-82-43-45-83(185)46-44-82)160-109(189)70-158-116(198)85(37-21-55-154-138(146)147)162-131(213)102(72-183)177-120(202)88(47-51-106(143)186)166-130(212)101(71-182)176-114(196)76(5)159-123(205)95(63-78-29-13-7-14-30-78)173-133(215)105-42-26-60-181(105)136(218)103(73-184)178-121(203)89(48-52-107(144)187)164-126(208)96(64-79-31-15-8-16-32-79)170-119(201)91(50-54-111(192)193)163-118(200)90(49-53-110(190)191)165-129(211)99(69-112(194)195)174-134(216)113(75(3)4)179-122(204)87(39-23-57-156-140(150)151)161-115(197)84(142)62-77-27-11-6-12-28-77/h6-20,27-36,43-46,74-76,84-105,113,182-185H,21-26,37-42,47-73,142H2,1-5H3,(H2,143,186)(H2,144,187)(H2,145,188)(H,158,198)(H,159,205)(H,160,189)(H,161,197)(H,162,213)(H,163,200)(H,164,208)(H,165,211)(H,166,212)(H,167,214)(H,168,209)(H,169,210)(H,170,201)(H,171,206)(H,172,207)(H,173,215)(H,174,216)(H,175,199)(H,176,196)(H,177,202)(H,178,203)(H,179,204)(H,190,191)(H,192,193)(H,194,195)(H,219,220)(H4,146,147,154)(H4,148,149,155)(H4,150,151,156)(H4,152,153,157)/t76-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,113-/m0/s1" . "OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N)C)CCCCNC(C)C)CC(C)C)CCCCNC(=O)c1cccnc1)CCCCNC(=O)c1cccnc1)NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc2c(c1)cccc2)NC(=O)C)Cc1ccc(cc1)Cl)Cc1cccnc1" . "OC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)N)C)CCCCNC(C)C)CC(C)C)CCCCNC(=O)c1cccnc1)CCCCNC(=O)c1cccnc1)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc2c(c1)cccc2)NC(=O)C)Cc1ccc(cc1)Cl)Cc1cccnc1" . "QRYFGTULTGLGHU-NBERXCRTSA-N" . "InChI=1S/C82H108ClN17O14/c1-50(2)41-65(76(108)95-64(26-11-12-37-88-51(3)4)82(114)100-40-18-27-70(100)81(113)91-52(5)71(84)103)96-75(107)63(25-10-14-39-90-73(105)60-23-17-36-87-48-60)93-74(106)62(24-9-13-38-89-72(104)59-22-16-35-86-47-59)94-80(112)69(49-101)99-79(111)68(45-56-19-15-34-85-46-56)98-78(110)67(43-54-29-32-61(83)33-30-54)97-77(109)66(92-53(6)102)44-55-28-31-57-20-7-8-21-58(57)42-55/h7-8,15-17,19-23,28-36,42,46-48,50-52,62-70,88,101H,9-14,18,24-27,37-41,43-45,49H2,1-6H3,(H2,84,103)(H,89,104)(H,90,105)(H,91,113)(H,92,102)(H,93,106)(H,94,112)(H,95,108)(H,96,107)(H,97,109)(H,98,110)(H,99,111)/t52-,62+,63-,64+,65+,66-,67-,68-,69+,70+/m1/s1" . "NCCCCC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)C(O)C)C(CC)C)CC(C)C)CC(=O)N)C(CC)C)Cc1ccc(cc1)O)Cc1c[nH]cn1)CCCN=C(N)N)CC(C)C)C)CO)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CCCN=C(N)N)C)CCSC)CC(=O)O)CCC(=O)O)C)C)CC(=O)O)CCC(=O)O)CC(=O)N)NC(=O)C(NC(=O)C1CCCN1C(=O)C(Cc1ccc(cc1)O)N)CO " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC" . "KGMHLNCUUWACQT-CCSRBEGYSA-N" . "InChI=1S/C190H286N54O56S/c1-15-95(7)149(178(291)232-129(84-142(194)254)168(281)225-124(77-94(5)6)170(283)238-150(96(8)16-2)179(292)239-151(101(13)247)180(293)222-117(32-22-69-208-190(202)203)156(269)220-119(58-61-141(193)253)161(274)218-116(31-21-68-207-189(200)201)159(272)234-133(186(299)300)82-106-46-56-112(252)57-47-106)237-171(284)127(81-105-44-54-111(251)55-45-105)228-167(280)128(83-107-88-204-92-210-107)229-158(271)115(30-20-67-206-188(198)199)219-164(277)123(76-93(3)4)224-154(267)98(10)212-172(285)134(90-245)235-166(279)126(80-104-42-52-110(250)53-43-104)227-165(278)125(79-103-40-50-109(249)51-41-103)226-157(270)114(29-19-66-205-187(196)197)216-152(265)97(9)211-155(268)121(64-75-301-14)221-169(282)131(87-148(263)264)231-162(275)120(60-63-146(259)260)217-153(266)99(11)213-175(288)137-34-24-70-240(137)181(294)100(12)214-163(276)130(86-147(261)262)230-160(273)118(59-62-145(257)258)215-144(256)89-209-174(287)136-33-23-72-242(136)184(297)132(85-143(195)255)233-176(289)139-36-26-73-243(139)185(298)140-37-27-74-244(140)183(296)122(28-17-18-65-191)223-173(286)135(91-246)236-177(290)138-35-25-71-241(138)182(295)113(192)78-102-38-48-108(248)49-39-102/h38-57,88,92-101,113-140,149-151,245-252H,15-37,58-87,89-91,191-192H2,1-14H3,(H2,193,253)(H2,194,254)(H2,195,255)(H,204,210)(H,209,287)(H,211,268)(H,212,285)(H,213,288)(H,214,276)(H,215,256)(H,216,265)(H,217,266)(H,218,274)(H,219,277)(H,220,269)(H,221,282)(H,222,293)(H,223,286)(H,224,267)(H,225,281)(H,226,270)(H,227,278)(H,228,280)(H,229,271)(H,230,273)(H,231,275)(H,232,291)(H,233,289)(H,234,272)(H,235,279)(H,236,290)(H,237,284)(H,238,283)(H,239,292)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,299,300)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t95-,96-,97-,98-,99-,100-,101+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,149-,150-,151-/m0/s1" . "O=C1CCC(N1)C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1nc[nH]c1 " . "NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1" . "XNSAINXGIQZQOO-SRVKXCTJSA-N" . "InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1" . "NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N)CCSC)CC(C)C)Cc1ccccc1)Cc1ccccc1)CCC(=O)N)CCC(=O)N)NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)N " . "CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O" . "ADNPLDHMAVUMIW-CUZNLEPHSA-N" . "InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1" . "NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)C(CC)C)Cc1ccc(cc1)O)CCCN=C(N)N)CCCN=C(N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCC(=O)N1)CC(C)C)Cc1ccc(cc1)O)CCC(=O)O)CC(=O)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O" . "PCJGZPGTCUMMOT-ISULXFBGSA-N" . "InChI=1S/C78H121N21O20/c1-7-43(6)63(73(115)96-57(76(118)119)37-42(4)5)97-70(112)55(39-45-21-25-47(101)26-22-45)95-72(114)59-18-13-35-99(59)75(117)52(16-11-33-86-78(83)84)90-64(106)48(15-10-32-85-77(81)82)89-71(113)58-17-12-34-98(58)74(116)51(14-8-9-31-79)91-69(111)56(40-60(80)102)94-66(108)50(28-30-62(104)105)88-68(110)54(38-44-19-23-46(100)24-20-44)93-67(109)53(36-41(2)3)92-65(107)49-27-29-61(103)87-49/h19-26,41-43,48-59,63,100-101H,7-18,27-40,79H2,1-6H3,(H2,80,102)(H,87,103)(H,88,110)(H,89,113)(H,90,106)(H,91,111)(H,92,107)(H,93,109)(H,94,108)(H,95,114)(H,96,115)(H,97,112)(H,104,105)(H,118,119)(H4,81,82,85)(H4,83,84,86)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1" . "Oc1ccc2c3c1OC1C43CCN(C(C2)C4(O)Cc2c1[nH]c1c2cccc1)CC1CC1" . "Oc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)Cc2c1[nH]c1c2cccc1)CC1CC1" . "WIYUZYBFCWCCQJ-IFKAHUTRSA-N" . "InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1" . "Oc1ccc2c3c1OC1C43CCN(C(C2)C4(O)Cc2c1oc1c2cccc1)CC1CC1" . "Oc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)Cc2c1oc1c2cccc1)CC1CC1" . "ZHVWWEYETMPAMX-IFKAHUTRSA-N" . "InChI=1S/C26H25NO4/c28-18-8-7-15-11-20-26(29)12-17-16-3-1-2-4-19(16)30-22(17)24-25(26,21(15)23(18)31-24)9-10-27(20)13-14-5-6-14/h1-4,7-8,14,20,24,28-29H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1" . "CSCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C(C)C)CCC(=O)N)Cc1c[nH]c2c1cccc2)CS)CCCN=C(N)N)Cc1ccc(cc1)O)C(C)C)CCCN=C(N)N)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)O)N)Cc1ccccc1)CC(=O)O)CCSC)CC(C)C)CCCN=C(N)N)CS " . "CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C" . "VWQDHTYNWDZONW-QRXCLJFASA-N" . "InChI=1S/C105H162N30O26S4/c1-53(2)42-70(126-88(146)68(35-41-165-10)123-97(155)76(51-162)131-87(145)65(25-17-37-115-104(110)111)120-92(150)71(43-54(3)4)127-89(147)67(34-40-164-9)122-96(154)75(48-82(141)142)129-94(152)72(44-57-20-12-11-13-21-57)125-85(143)62(106)47-81(139)140)86(144)118-50-80(138)119-64(24-16-36-114-103(108)109)90(148)133-83(55(5)6)100(158)130-73(45-58-28-30-60(136)31-29-58)93(151)124-69(26-18-38-116-105(112)113)101(159)135-39-19-27-78(135)99(157)132-77(52-163)98(156)128-74(46-59-49-117-63-23-15-14-22-61(59)63)95(153)121-66(32-33-79(107)137)91(149)134-84(56(7)8)102(160)161/h11-15,20-23,28-31,49,53-56,62,64-78,83-84,117,136,162-163H,16-19,24-27,32-48,50-52,106H2,1-10H3,(H2,107,137)(H,118,144)(H,119,138)(H,120,150)(H,121,153)(H,122,154)(H,123,155)(H,124,151)(H,125,143)(H,126,146)(H,127,147)(H,128,156)(H,129,152)(H,130,158)(H,131,145)(H,132,157)(H,133,148)(H,134,149)(H,139,140)(H,141,142)(H,160,161)(H4,108,109,114)(H4,110,111,115)(H4,112,113,116)/t62-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,83-,84-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)CC(C)C)CO)Cc1ccccc1)CCCN=C(N)N)N " . "CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCCN)C(=O)O" . "AGTPZUQKOYEAOH-MDKUUQCZSA-N" . "InChI=1S/C47H75N13O11/c1-28(2)24-33(46(70)71)56-42(66)36-17-10-21-58(36)44(68)34(27-61)57-40(64)32(25-29-12-4-3-5-13-29)54-38(62)26-53-41(65)35-16-9-22-59(35)45(69)37-18-11-23-60(37)43(67)31(15-8-20-52-47(50)51)55-39(63)30(49)14-6-7-19-48/h3-5,12-13,28,30-37,61H,6-11,14-27,48-49H2,1-2H3,(H,53,65)(H,54,62)(H,55,63)(H,56,66)(H,57,64)(H,70,71)(H4,50,51,52)/t30-,31-,32-,33-,34-,35-,36-,37-/m0/s1" . "OC(=O)CCC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N)C(C)C)C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)C)Cc1ccccc1 " . "CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C" . "NUNBRHVOPFWRRG-LJXGPVSSSA-N" . "InChI=1S/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1" . "OCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(CCCN=C(N)N)N " . "NC(N)=NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O" . "QXZGBUJJYSLZLT-FDISYFBBSA-N" . "InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1" . "NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N)CCSC)CC(C)C)Cc1ccccc1)Cc1ccccc1)CCC(=O)N)CCC(=O)N)NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)N " . "CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O" . "ADNPLDHMAVUMIW-CUZNLEPHSA-N" . "InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1" . "NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccc(cc1)O)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)C(O)C)C(C)C)CC(C)C)CC(=O)N)CC(C)C)Cc1ccc(cc1)O)Cc1nc[nH]c1)CCCN=C(N)N)CC(C)C)CO)C)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CCCN=C(N)N)CC(=O)N)CC(C)C)CCC(=O)O)CCC(=O)O)CO)C)CC(=O)O)CCC(=O)O)C)CCC(=O)O)NC(=O)C(C(CC)C)N " . "CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C" . "AUHJXHCVECGTKR-DQNUUZSMSA-N" . "InChI=1S/C180H279N53O54/c1-17-91(12)141(185)171(282)214-114(27-18-19-61-181)175(286)232-67-25-33-130(232)169(280)211-111(53-58-137(247)248)147(258)204-94(15)174(285)231-66-24-32-129(231)168(279)200-82-135(244)205-109(52-57-136(245)246)152(263)226-126(80-140(253)254)157(268)203-93(14)146(257)228-128(84-235)176(287)233-68-26-34-131(233)170(281)212-113(55-60-139(251)252)154(265)210-112(54-59-138(249)250)155(266)216-117(70-87(4)5)159(270)224-124(78-133(183)242)164(275)208-106(29-21-63-197-178(189)190)150(261)220-121(75-98-39-47-103(239)48-40-98)162(273)221-120(74-97-37-45-102(238)46-38-97)156(267)202-92(13)145(256)227-127(83-234)167(278)219-116(69-86(2)3)158(269)207-107(30-22-64-198-179(191)192)151(262)223-123(77-100-81-195-85-201-100)163(274)222-122(76-99-41-49-104(240)50-42-99)161(272)217-118(71-88(6)7)160(271)225-125(79-134(184)243)165(276)218-119(72-89(8)9)166(277)229-142(90(10)11)172(283)230-143(95(16)236)173(284)213-108(31-23-65-199-180(193)194)148(259)209-110(51-56-132(182)241)153(264)206-105(28-20-62-196-177(187)188)149(260)215-115(144(186)255)73-96-35-43-101(237)44-36-96/h35-50,81,85-95,105-131,141-143,234-240H,17-34,51-80,82-84,181,185H2,1-16H3,(H2,182,241)(H2,183,242)(H2,184,243)(H2,186,255)(H,195,201)(H,200,279)(H,202,267)(H,203,268)(H,204,258)(H,205,244)(H,206,264)(H,207,269)(H,208,275)(H,209,259)(H,210,265)(H,211,280)(H,212,281)(H,213,284)(H,214,282)(H,215,260)(H,216,266)(H,217,272)(H,218,276)(H,219,278)(H,220,261)(H,221,273)(H,222,274)(H,223,262)(H,224,270)(H,225,271)(H,226,263)(H,227,256)(H,228,257)(H,229,277)(H,230,283)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t91-,92-,93-,94-,95+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,141-,142-,143-/m0/s1" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N)Cc1ccc(cc1)O)CCCN=C(N)N)CCCN=C(N)N)C(O)C)CC(C)C)CCSC)CC(=O)N)C(CC)C)Cc1ccc(cc1)O)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)CC(=O)O)C)C)Cc1ccc(cc1)O)CCC(=O)N)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(NC(=O)C(C(C)C)NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(N)C)CC(C)C)CCC(=O)O)Cc1ccc(cc1)O)CC(=O)O)CC(=O)N)C)CCC(=O)O)CCC(=O)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O" . "HFDKKNHCYWNNNQ-YOGANYHLSA-N" . "InChI=1S/C185H287N53O54S2/c1-20-92(10)144(175(286)228-125(84-137(190)248)164(275)215-115(64-75-294-19)159(270)222-121(78-90(6)7)167(278)232-145(98(16)239)176(287)219-116(33-24-68-203-185(198)199)178(289)236-71-27-36-131(236)170(281)216-110(32-23-67-202-184(196)197)154(265)220-118(147(191)258)79-100-39-47-104(241)48-40-100)231-168(279)123(81-102-43-51-106(243)52-44-102)225-155(266)109(31-22-66-201-183(194)195)211-153(264)108(30-21-65-200-182(192)193)212-162(273)119(76-88(2)3)223-166(277)127(86-142(256)257)221-150(261)95(13)205-148(259)94(12)207-160(271)122(80-101-41-49-105(242)50-42-101)224-158(269)111(55-59-134(187)245)210-149(260)96(14)206-152(263)114(63-74-293-18)214-156(267)112(56-60-135(188)246)213-157(268)113(57-61-139(250)251)217-171(282)132-37-29-73-238(132)181(292)146(99(17)240)233-151(262)97(15)208-161(272)124(83-136(189)247)226-165(276)126(85-141(254)255)209-138(249)87-204-169(280)129-34-25-70-235(129)180(291)128(82-103-45-53-107(244)54-46-103)229-174(285)143(91(8)9)230-173(284)133-38-28-72-237(133)179(290)117(58-62-140(252)253)218-163(274)120(77-89(4)5)227-172(283)130-35-26-69-234(130)177(288)93(11)186/h39-54,88-99,108-133,143-146,239-244H,20-38,55-87,186H2,1-19H3,(H2,187,245)(H2,188,246)(H2,189,247)(H2,190,248)(H2,191,258)(H,204,280)(H,205,259)(H,206,263)(H,207,271)(H,208,272)(H,209,249)(H,210,260)(H,211,264)(H,212,273)(H,213,268)(H,214,267)(H,215,275)(H,216,281)(H,217,282)(H,218,274)(H,219,287)(H,220,265)(H,221,261)(H,222,270)(H,223,277)(H,224,269)(H,225,266)(H,226,276)(H,227,283)(H,228,286)(H,229,285)(H,230,284)(H,231,279)(H,232,278)(H,233,262)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H4,192,193,200)(H4,194,195,201)(H4,196,197,202)(H4,198,199,203)/t92-,93-,94-,95-,96-,97-,98+,99+,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,143-,144-,145-,146-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CC(C)C)C(O)C)CC(C)C)C(CC)C)C)C)Cc1nc[nH]c1)CC(=O)N)C)Cc1nc[nH]c1)CC(C)C)CC(C)C)CCC(=O)O)Cc1ccc(cc1)O)CC(C)C)CCCN=C(N)N)CS)CO)CS)C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C1CCCN1C(=O)C1CCC(=O)N1)CC(C)C)CC(=O)O)CS)CS)CCCN=C(N)N)CCC(=O)N " . "CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O" . "IXODJSWYPSZUCI-IIIOAANCSA-N" . "InChI=1S/C152H247N47O44S4/c1-20-76(14)118(146(239)188-96(51-74(10)11)138(231)197-119(80(18)201)147(240)180-92(121(156)214)47-70(2)3)195-115(209)62-166-123(216)78(16)171-124(217)79(17)172-131(224)99(55-84-59-162-69-169-84)186-136(229)100(56-111(155)205)174-114(208)61-165-122(215)77(15)170-113(207)60-167-125(218)98(54-83-58-161-68-168-83)185-134(227)95(50-73(8)9)183-132(225)93(48-71(4)5)182-129(222)90(38-41-116(210)211)179-135(228)97(53-82-32-34-85(203)35-33-82)184-133(226)94(49-72(6)7)181-127(220)88(29-24-44-164-152(159)160)177-140(233)104(64-244)192-139(232)103(63-200)190-142(235)107(67-247)194-148(241)120(81(19)202)196-130(223)86(27-21-22-42-153)175-128(221)89(36-39-110(154)204)178-126(219)87(28-23-43-163-151(157)158)176-141(234)105(65-245)193-143(236)106(66-246)191-137(230)101(57-117(212)213)187-144(237)108-30-26-46-199(108)150(243)102(52-75(12)13)189-145(238)109-31-25-45-198(109)149(242)91-37-40-112(206)173-91/h32-35,58-59,68-81,86-109,118-120,200-203,244-247H,20-31,36-57,60-67,153H2,1-19H3,(H2,154,204)(H2,155,205)(H2,156,214)(H,161,168)(H,162,169)(H,165,215)(H,166,216)(H,167,218)(H,170,207)(H,171,217)(H,172,224)(H,173,206)(H,174,208)(H,175,221)(H,176,234)(H,177,233)(H,178,219)(H,179,228)(H,180,240)(H,181,220)(H,182,222)(H,183,225)(H,184,226)(H,185,227)(H,186,229)(H,187,237)(H,188,239)(H,189,238)(H,190,235)(H,191,230)(H,192,232)(H,193,236)(H,194,241)(H,195,209)(H,196,223)(H,197,231)(H,210,211)(H,212,213)(H4,157,158,163)(H4,159,160,164)/t76-,77-,78-,79-,80+,81+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,118-,119-,120-/m0/s1" . "NC(=O)CCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CCCN=C(N)N)CCC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)N)CC(C)C)Cc1ccccc1 " . "CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O" . "HWYCFZUSOBOBIN-AQJXLSMYSA-N" . "InChI=1S/C54H76N14O10/c1-32(2)28-41(66-47(72)36(55)29-33-14-6-3-7-15-33)50(75)67-42(31-35-18-10-5-11-19-35)51(76)64-39(23-25-45(57)70)53(78)68-27-13-21-43(68)52(77)63-38(22-24-44(56)69)49(74)62-37(20-12-26-61-54(59)60)48(73)65-40(46(58)71)30-34-16-8-4-9-17-34/h3-11,14-19,32,36-43H,12-13,20-31,55H2,1-2H3,(H2,56,69)(H2,57,70)(H2,58,71)(H,62,74)(H,63,77)(H,64,76)(H,65,73)(H,66,72)(H,67,75)(H4,59,60,61)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N)CCSC)CC(C)C)C(C)C)Cc1ccccc1)CO)CC(=O)O)C(O)C)NC(=O)C(Cc1nc[nH]c1)N " . "CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)C(C)C)C(N)=O" . "HEAUFJZALFKPBA-JPQUDPSNSA-N" . "InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69)/t28-,31+,32+,33+,34+,35+,36+,37+,40+,41+/m1/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)O)CCC(=O)N)CCCCN)CC(=O)N)CCCN=C(N)N)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(Cc1ccccc1)N)Cc1ccccc1)Cc1ccc(cc1)O)CCC(=O)O)CC(C)C)CCC(=O)N)CCCN=C(N)N)CCSC)CCC(=O)N)CCC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O" . "LVRVABPNVHYXRT-BQWXUCBYSA-N" . "InChI=1S/C120H188N34O35S/c1-9-64(6)97(152-114(184)86-31-22-53-154(86)117(187)96(63(4)5)151-99(169)70(123)56-66-23-12-10-13-24-66)115(185)150-84(57-67-25-14-11-15-26-67)113(183)153-98(65(7)155)116(186)149-83(58-68-32-34-69(156)35-33-68)101(171)135-60-91(161)136-75(39-45-93(163)164)105(175)147-82(55-62(2)3)111(181)145-77(37-43-88(125)158)106(176)140-73(29-20-51-132-119(128)129)103(173)146-80(48-54-190-8)110(180)142-76(36-42-87(124)157)107(177)144-79(41-47-95(167)168)108(178)139-72(28-17-19-50-122)102(172)143-78(40-46-94(165)166)109(179)141-74(30-21-52-133-120(130)131)104(174)148-85(59-90(127)160)112(182)138-71(27-16-18-49-121)100(170)134-61-92(162)137-81(118(188)189)38-44-89(126)159/h10-15,23-26,32-35,62-65,70-86,96-98,155-156H,9,16-22,27-31,36-61,121-123H2,1-8H3,(H2,124,157)(H2,125,158)(H2,126,159)(H2,127,160)(H,134,170)(H,135,171)(H,136,161)(H,137,162)(H,138,182)(H,139,178)(H,140,176)(H,141,179)(H,142,180)(H,143,172)(H,144,177)(H,145,181)(H,146,173)(H,147,175)(H,148,174)(H,149,186)(H,150,185)(H,151,169)(H,152,184)(H,153,183)(H,163,164)(H,165,166)(H,167,168)(H,188,189)(H4,128,129,132)(H4,130,131,133)/t64-,65+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,96-,97-,98-/m0/s1" . "OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CCCN=C(N)N)CC(C)C)Cc1ccccc1)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(CC(C)C)N)CC(=O)N)Cc1ccc(cc1)O)CC(=O)N)CC(=O)N " . "CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O" . "JIGIJNKESDREHJ-WOUDKVOTSA-N" . "InChI=1S/C78H107N21O18/c1-41(2)29-49(79)77(117)99-28-14-22-61(99)76(116)97-59(37-64(82)104)73(113)93-55(33-45-23-25-47(101)26-24-45)70(110)95-57(35-62(80)102)72(112)94-56(34-46-38-87-50-20-12-11-19-48(46)50)71(111)96-58(36-63(81)103)74(114)98-60(40-100)75(115)92-54(32-44-17-9-6-10-18-44)67(107)88-39-65(105)89-53(30-42(3)4)69(109)90-51(21-13-27-86-78(84)85)68(108)91-52(66(83)106)31-43-15-7-5-8-16-43/h5-12,15-20,23-26,38,41-42,49,51-61,87,100-101H,13-14,21-22,27-37,39-40,79H2,1-4H3,(H2,80,102)(H2,81,103)(H2,82,104)(H2,83,106)(H,88,107)(H,89,105)(H,90,109)(H,91,108)(H,92,115)(H,93,113)(H,94,112)(H,95,110)(H,96,111)(H,97,116)(H,98,114)(H4,84,85,86)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CCSC)CC(C)C)Cc1nc[nH]c1)C(C)C)C)Cc1c[nH]c2c1cccc2)Cc1nc[nH]c1)CC(=O)N)CCCN=C(N)N)Cc1ccc(cc1)O)CCSC)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(C(O)C)NC(=O)CNC(=O)CNC(=O)CNC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C1CCCN1C(=O)C(C(C)C)N)CC(C)C)C)CC(C)C " . "CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(N)=O" . "PUBCCFNQJQKCNC-XKNFJVFFSA-N" . "InChI=1S/C130H204N38O31S2/c1-65(2)47-86(115(185)152-82(108(134)178)38-45-200-17)156-116(186)89(52-77-56-137-63-146-77)150-101(176)62-145-123(193)104(69(9)10)163-110(180)72(14)148-114(184)88(51-76-55-140-81-28-20-19-27-80(76)81)157-117(187)90(53-78-57-138-64-147-78)158-118(188)91(54-97(132)172)151-100(175)61-144-111(181)83(30-23-41-139-130(135)136)154-121(191)95-32-25-43-167(95)128(198)93(50-75-34-36-79(171)37-35-75)160-113(183)85(39-46-201-18)153-112(182)84(29-21-22-40-131)155-125(195)107(74(16)170)165-119(189)87(48-66(3)4)159-124(194)105(70(11)12)164-126(196)106(73(15)169)162-102(177)60-142-98(173)58-141-99(174)59-143-109(179)71(13)149-120(190)94-31-24-42-166(94)127(197)92(49-67(5)6)161-122(192)96-33-26-44-168(96)129(199)103(133)68(7)8/h19-20,27-28,34-37,55-57,63-74,82-96,103-107,140,169-171H,21-26,29-33,38-54,58-62,131,133H2,1-18H3,(H2,132,172)(H2,134,178)(H,137,146)(H,138,147)(H,141,174)(H,142,173)(H,143,179)(H,144,181)(H,145,193)(H,148,184)(H,149,190)(H,150,176)(H,151,175)(H,152,185)(H,153,182)(H,154,191)(H,155,195)(H,156,186)(H,157,187)(H,158,188)(H,159,194)(H,160,183)(H,161,192)(H,162,177)(H,163,180)(H,164,196)(H,165,189)(H4,135,136,139)/t71-,72-,73+,74+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,103-,104-,105-,106-,107-/m0/s1" . "OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)N)Cc1ccc(cc1)O)Cc1c[nH]c2c1cccc2)Cc1nc[nH]c1)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCC(=O)N1)Cc1nc[nH]c1 " . "NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1" . "JNVXACSECVMTSD-XJIZABAQSA-N" . "InChI=1S/C60H69N17O13/c61-50(80)27-66-59(89)49-10-5-17-77(49)60(90)47(18-32-11-13-37(79)14-12-32)75-55(85)43(19-33-23-64-40-8-3-1-6-38(33)40)71-52(82)28-67-53(83)45(21-35-25-62-30-68-35)73-58(88)48(29-78)76-56(86)44(20-34-24-65-41-9-4-2-7-39(34)41)72-57(87)46(22-36-26-63-31-69-36)74-54(84)42-15-16-51(81)70-42/h1-4,6-9,11-14,23-26,30-31,42-49,64-65,78-79H,5,10,15-22,27-29H2,(H2,61,80)(H,62,68)(H,63,69)(H,66,89)(H,67,83)(H,70,81)(H,71,82)(H,72,87)(H,73,88)(H,74,84)(H,75,85)(H,76,86)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1" . "OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)N)CCCN=C(N)N)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCC(=O)N1)Cc1nc[nH]c1 " . "CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O" . "XLXSAKCOAKORKW-AQJXLSMYSA-N" . "InChI=1S/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C(O)C)CC(=O)N)CCSC)CC(C)C)Cc1c[nH]c2c1cccc2)CCC(=O)N)C(C)C)Cc1ccccc1)CC(=O)O)CCC(=O)N)C)CCCN=C(N)N)CCCN=C(N)N)CO)CC(=O)O)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1nc[nH]c1)N)CO)CCC(=O)N)Cc1ccccc1)CO)CC(=O)O)Cc1ccc(cc1)O)CO " . "CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O" . "MASNOZXLGMXCHN-ZLPAWPGGSA-N" . "InChI=1S/C153H225N43O49S/c1-72(2)52-97(133(226)176-96(47-51-246-11)132(225)184-104(60-115(159)209)143(236)196-123(78(10)203)151(244)245)179-137(230)103(58-83-64-167-89-29-19-18-28-87(83)89)183-131(224)95(43-46-114(158)208)177-148(241)120(74(5)6)194-141(234)101(54-79-24-14-12-15-25-79)182-138(231)105(61-117(211)212)185-130(223)94(42-45-113(157)207)171-124(217)75(7)170-127(220)91(31-22-49-165-152(160)161)172-128(221)92(32-23-50-166-153(162)163)174-146(239)110(69-199)191-140(233)107(63-119(215)216)186-134(227)98(53-73(3)4)178-135(228)99(56-81-33-37-85(204)38-34-81)180-129(222)90(30-20-21-48-154)173-145(238)109(68-198)190-136(229)100(57-82-35-39-86(205)40-36-82)181-139(232)106(62-118(213)214)187-147(240)111(70-200)192-150(243)122(77(9)202)195-142(235)102(55-80-26-16-13-17-27-80)188-149(242)121(76(8)201)193-116(210)66-168-126(219)93(41-44-112(156)206)175-144(237)108(67-197)189-125(218)88(155)59-84-65-164-71-169-84/h12-19,24-29,33-40,64-65,71-78,88,90-111,120-123,167,197-205H,20-23,30-32,41-63,66-70,154-155H2,1-11H3,(H2,156,206)(H2,157,207)(H2,158,208)(H2,159,209)(H,164,169)(H,168,219)(H,170,220)(H,171,217)(H,172,221)(H,173,238)(H,174,239)(H,175,237)(H,176,226)(H,177,241)(H,178,228)(H,179,230)(H,180,222)(H,181,232)(H,182,231)(H,183,224)(H,184,225)(H,185,223)(H,186,227)(H,187,240)(H,188,242)(H,189,218)(H,190,229)(H,191,233)(H,192,243)(H,193,210)(H,194,234)(H,195,235)(H,196,236)(H,211,212)(H,213,214)(H,215,216)(H,244,245)(H4,160,161,165)(H4,162,163,166)/t75-,76+,77+,78+,88-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,120-,121-,122-,123-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)O)CCCN=C(N)N)CCCCN)C(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)C)C(CC)C)Cc1ccccc1)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1nc[nH]c1)N)C)CCC(=O)O)Cc1ccccc1)CO)CC(=O)O)CO)CO)Cc1ccc(cc1)O)CC(C)C)CCC(=O)O)CCC(=O)N)C)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C" . "GCYXWQUSHADNBF-AAEALURTSA-N" . "InChI=1S/C151H228N40O47/c1-17-77(10)121(148(236)169-81(14)127(215)177-105(60-87-63-160-92-36-25-24-35-90(87)92)138(226)179-101(56-74(4)5)139(227)188-119(75(6)7)146(234)176-94(37-26-28-52-152)130(218)161-65-111(199)170-93(39-30-54-159-151(156)157)129(217)164-68-118(210)211)190-140(228)103(57-84-31-20-18-21-32-84)180-135(223)99(47-51-116(206)207)175-134(222)95(38-27-29-53-153)172-125(213)79(12)166-124(212)78(11)168-133(221)98(44-48-110(155)198)171-112(200)66-162-132(220)97(46-50-115(204)205)174-136(224)100(55-73(2)3)178-137(225)102(59-86-40-42-89(197)43-41-86)181-143(231)107(69-192)184-145(233)109(71-194)185-147(235)120(76(8)9)189-142(230)106(62-117(208)209)182-144(232)108(70-193)186-150(238)123(83(16)196)191-141(229)104(58-85-33-22-19-23-34-85)183-149(237)122(82(15)195)187-113(201)67-163-131(219)96(45-49-114(202)203)173-126(214)80(13)167-128(216)91(154)61-88-64-158-72-165-88/h18-25,31-36,40-43,63-64,72-83,91,93-109,119-123,160,192-197H,17,26-30,37-39,44-62,65-71,152-154H2,1-16H3,(H2,155,198)(H,158,165)(H,161,218)(H,162,220)(H,163,219)(H,164,217)(H,166,212)(H,167,216)(H,168,221)(H,169,236)(H,170,199)(H,171,200)(H,172,213)(H,173,214)(H,174,224)(H,175,222)(H,176,234)(H,177,215)(H,178,225)(H,179,226)(H,180,223)(H,181,231)(H,182,232)(H,183,237)(H,184,233)(H,185,235)(H,186,238)(H,187,201)(H,188,227)(H,189,230)(H,190,228)(H,191,229)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H4,156,157,159)/t77-,78-,79-,80-,81-,82+,83+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,119-,120-,121-,122-,123-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N)C(O)C)CO)C(O)C)CC(=O)N)C(O)C)CCCN=C(N)N)Cc1ccc(cc1)O)C(O)C)CCC(=O)N)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CS)N)CO)CC(=O)N)CC(C)C)CO)CS)CC(C)C)CCCCN)CC(C)C)CO)CCC(=O)N)CCC(=O)O)CC(C)C)Cc1c[nH]cn1 " . "CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O" . "AZCMZZXDDMAXIT-VJVYQDLKSA-N" . "InChI=1S/C145H242N44O48S2/c1-65(2)45-86(175-139(232)110(70(11)12)183-136(229)99(63-239)181-142(235)114(74(16)197)187-135(228)98(61-193)180-129(222)90(49-69(9)10)172-131(224)92(52-104(151)202)174-134(227)96(59-191)178-117(210)79(148)62-238)118(211)158-55-106(204)162-80(25-18-20-40-146)120(213)169-89(48-68(7)8)128(221)179-97(60-192)133(226)167-83(34-37-102(149)200)122(215)165-85(36-39-109(207)208)123(216)171-88(47-67(5)6)127(220)173-91(51-77-54-156-64-161-77)130(223)164-81(26-19-21-41-147)121(214)170-87(46-66(3)4)126(219)166-84(35-38-103(150)201)125(218)186-113(73(15)196)141(234)177-94(50-76-30-32-78(199)33-31-76)143(236)189-44-24-29-101(189)137(230)168-82(27-22-42-157-145(154)155)124(217)185-112(72(14)195)140(233)176-93(53-105(152)203)132(225)184-111(71(13)194)138(231)160-56-107(205)163-95(58-190)119(212)159-57-108(206)182-115(75(17)198)144(237)188-43-23-28-100(188)116(153)209/h30-33,54,64-75,79-101,110-115,190-199,238-239H,18-29,34-53,55-63,146-148H2,1-17H3,(H2,149,200)(H2,150,201)(H2,151,202)(H2,152,203)(H2,153,209)(H,156,161)(H,158,211)(H,159,212)(H,160,231)(H,162,204)(H,163,205)(H,164,223)(H,165,215)(H,166,219)(H,167,226)(H,168,230)(H,169,213)(H,170,214)(H,171,216)(H,172,224)(H,173,220)(H,174,227)(H,175,232)(H,176,233)(H,177,234)(H,178,210)(H,179,221)(H,180,222)(H,181,235)(H,182,206)(H,183,229)(H,184,225)(H,185,217)(H,186,218)(H,187,228)(H,207,208)(H4,154,155,157)/t71-,72-,73-,74-,75-,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,110+,111+,112+,113+,114+,115+/m1/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N)C)C(C)C)C(CC)C)C)C(O)C)CCC(=O)N)Cc1ccccc1)C(O)C)Cc1nc[nH]c1)Cc1ccccc1)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(CS)N)CC(=O)N)CC(C)C)CO)CS)CCSC)CC(C)C)Cc1ccc(cc1)O)CCC(=O)N)CC(=O)O)Cc1ccccc1)CC(=O)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](N)CS)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(N)=O)C(C)C" . "MKPOFZGVVSUXKS-JKQNMTHDSA-N" . "InChI=1S/C151H228N40O45S3/c1-17-75(8)118(144(229)163-67-114(205)183-117(74(6)7)143(228)162-64-112(203)165-77(10)150(235)190-50-29-38-106(190)124(158)209)185-125(210)76(9)166-145(230)120(79(12)194)186-131(216)92(45-47-109(155)200)170-142(227)107-39-30-51-191(107)151(236)103(58-85-35-25-20-26-36-85)180-148(233)122(81(14)196)188-139(224)99(59-87-63-159-71-164-87)176-133(218)96(55-83-31-21-18-22-32-83)174-128(213)90(37-27-28-49-152)168-136(221)101(61-111(157)202)177-134(219)97(56-84-33-23-19-24-34-84)175-137(222)102(62-116(207)208)178-129(214)91(44-46-108(154)199)171-147(232)121(80(13)195)187-138(223)98(57-86-40-42-88(198)43-41-86)179-146(231)119(78(11)193)184-115(206)66-161-127(212)94(53-72(2)3)172-130(215)93(48-52-239-16)169-141(226)105(70-238)182-149(234)123(82(15)197)189-140(225)104(68-192)181-132(217)95(54-73(4)5)173-135(220)100(60-110(156)201)167-113(204)65-160-126(211)89(153)69-237/h18-26,31-36,40-43,63,71-82,89-107,117-123,192-198,237-238H,17,27-30,37-39,44-62,64-70,152-153H2,1-16H3,(H2,154,199)(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,209)(H,159,164)(H,160,211)(H,161,212)(H,162,228)(H,163,229)(H,165,203)(H,166,230)(H,167,204)(H,168,221)(H,169,226)(H,170,227)(H,171,232)(H,172,215)(H,173,220)(H,174,213)(H,175,222)(H,176,218)(H,177,219)(H,178,214)(H,179,231)(H,180,233)(H,181,217)(H,182,234)(H,183,205)(H,184,206)(H,185,210)(H,186,216)(H,187,223)(H,188,224)(H,189,225)(H,207,208)/t75-,76-,77-,78+,79+,80+,81+,82+,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,117-,118-,119-,120-,121-,122-,123-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccccc1)CCC(=O)O)CC(C)C)Cc1ccccc1)C)CCC(=O)O)C)CO)CCC(=O)O)CC(=O)O)CCC(=O)O)C)CC(=O)N)Cc1ccc(cc1)O)C(C)C)NC(=O)C(C(C)C)NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(C(C)C)NC(=O)C1CCCN1C(=O)C(NC(=O)CNC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CO)N)Cc1ccc(cc1)O)CO)CCSC)CCC(=O)O)Cc1nc[nH]c1)Cc1ccccc1)CCCN=C(N)N)CCCCN)CCCCN)CCCCN)CCCN=C(N)N)CCCN=C(N)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)CCC(=O)O)CC(C)C)Cc1ccccc1)C)CCC(=O)O)C)CO)CCC(=O)O)CC(=O)O)CCC(=O)O)C)CC(=O)N)Cc1ccc(cc1)O)C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)Cc1ccc(cc1)O)CO)CCSC)CCC(=O)O)Cc1nc[nH]c1)Cc1ccccc1)CCCN=C(N)N)CCCCN)CCCCN)CCCCN)CCCN=C(N)N)CCCN=C(N)N" . "IDLFZVILOHSSID-OVLDLUHVSA-N" . "InChI=1S/C207H308N56O58S/c1-108(2)89-140(186(302)240-135(69-74-163(279)280)182(298)254-149(204(320)321)94-117-43-20-15-21-44-117)250-193(309)152-54-35-86-262(152)202(318)147(92-116-41-18-14-19-42-116)252-171(287)114(11)230-175(291)132(66-71-160(273)274)234-170(286)113(10)231-191(307)150(105-265)255-183(299)136(70-75-164(281)282)241-190(306)146(98-165(283)284)249-180(296)133(67-72-161(275)276)235-169(285)112(9)229-157(270)101-225-174(290)145(97-156(213)269)251-194(310)153-55-36-87-263(153)203(319)148(93-119-60-64-123(268)65-61-119)253-199(315)167(110(5)6)257-185(301)129(49-26-30-79-210)243-198(314)168(111(7)8)259-196(312)155-57-38-85-261(155)201(317)139(53-34-83-223-207(218)219)244-178(294)130(51-32-81-221-205(214)215)237-177(293)128(48-25-29-78-209)236-176(292)127(47-24-28-77-208)232-158(271)103-227-197(313)166(109(3)4)258-195(311)154-56-37-84-260(154)200(316)138(50-27-31-80-211)233-159(272)102-226-173(289)143(95-120-99-224-126-46-23-22-45-124(120)126)247-179(295)131(52-33-82-222-206(216)217)238-187(303)142(90-115-39-16-13-17-40-115)246-189(305)144(96-121-100-220-107-228-121)248-181(297)134(68-73-162(277)278)239-184(300)137(76-88-322-12)242-192(308)151(106-266)256-188(304)141(245-172(288)125(212)104-264)91-118-58-62-122(267)63-59-118/h13-23,39-46,58-65,99-100,107-114,125,127-155,166-168,224,264-268H,24-38,47-57,66-98,101-106,208-212H2,1-12H3,(H2,213,269)(H,220,228)(H,225,290)(H,226,289)(H,227,313)(H,229,270)(H,230,291)(H,231,307)(H,232,271)(H,233,272)(H,234,286)(H,235,285)(H,236,292)(H,237,293)(H,238,303)(H,239,300)(H,240,302)(H,241,306)(H,242,308)(H,243,314)(H,244,294)(H,245,288)(H,246,305)(H,247,295)(H,248,297)(H,249,296)(H,250,309)(H,251,310)(H,252,287)(H,253,315)(H,254,298)(H,255,299)(H,256,304)(H,257,301)(H,258,311)(H,259,312)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,320,321)(H4,214,215,221)(H4,216,217,222)(H4,218,219,223)/t112-,113-,114-,125-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,166-,167-,168-/m0/s1" . "CSCCC(C(=O)N)NC(=O)C(NC(=O)C(Cc1nc[nH]c1)NC(=O)CNC(=O)C(C(O)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)CN)CC(=O)N)CC(C)C)C)Cc1ccccc1 " . "CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CN)[C@@H](C)O)C(N)=O" . "YPFNACALNKVZNK-MFNIMNRCSA-N" . "InChI=1S/C52H73N15O12S/c1-27(2)17-36(64-51(78)40(21-41(54)69)61-42(70)22-53)48(75)66-38(19-31-23-57-34-14-10-9-13-33(31)34)47(74)60-28(3)46(73)67-44(29(4)68)52(79)58-25-43(71)62-39(20-32-24-56-26-59-32)50(77)65-37(18-30-11-7-6-8-12-30)49(76)63-35(45(55)72)15-16-80-5/h6-14,23-24,26-29,35-40,44,57,68H,15-22,25,53H2,1-5H3,(H2,54,69)(H2,55,72)(H,56,59)(H,58,79)(H,60,74)(H,61,70)(H,62,71)(H,63,76)(H,64,78)(H,65,77)(H,66,75)(H,67,73)/t28-,29+,35-,36-,37-,38-,39-,40-,44-/m0/s1" . "NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)O)Cc1ccc(cc1)O)C(C)C)CCCCN)C(C)C)CCCN=C(N)N)CCCN=C(N)N)CCCCN)CCCCN)C(C)C)NC(=O)CNC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CO)N)Cc1ccc(cc1)O)CO)CCSC)CCC(=O)O)Cc1c[nH]cn1)Cc1ccccc1)CCCN=C(N)N " . "CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C)C(C)C)C(C)C" . "ZOEFCCMDUURGSE-SQKVDDBVSA-N" . "InChI=1S/C136H210N40O31S/c1-75(2)109(127(200)154-71-106(181)156-88(31-13-17-52-137)114(187)158-89(32-14-18-53-138)115(188)159-91(35-21-56-149-134(142)143)116(189)164-96(37-23-58-151-136(146)147)131(204)175-60-25-39-104(175)126(199)173-111(77(5)6)128(201)163-90(33-15-19-54-139)120(193)171-110(76(3)4)129(202)169-101(65-80-43-47-84(180)48-44-80)132(205)176-61-26-40-105(176)133(206)207)172-125(198)103-38-24-59-174(103)130(203)95(34-16-20-55-140)157-107(182)70-153-113(186)99(66-81-68-152-87-30-12-11-29-85(81)87)167-117(190)92(36-22-57-150-135(144)145)160-121(194)98(63-78-27-9-8-10-28-78)166-123(196)100(67-82-69-148-74-155-82)168-118(191)93(49-50-108(183)184)161-119(192)94(51-62-208-7)162-124(197)102(73-178)170-122(195)97(165-112(185)86(141)72-177)64-79-41-45-83(179)46-42-79/h8-12,27-30,41-48,68-69,74-77,86,88-105,109-111,152,177-180H,13-26,31-40,49-67,70-73,137-141H2,1-7H3,(H,148,155)(H,153,186)(H,154,200)(H,156,181)(H,157,182)(H,158,187)(H,159,188)(H,160,194)(H,161,192)(H,162,197)(H,163,201)(H,164,189)(H,165,185)(H,166,196)(H,167,190)(H,168,191)(H,169,202)(H,170,195)(H,171,193)(H,172,198)(H,173,199)(H,183,184)(H,206,207)(H4,142,143,149)(H4,144,145,150)(H4,146,147,151)/t86-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,109-,110-,111-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)C)CCCCN)CO)C(C)C)CC(=O)N)C(O)C)C(C)C)Cc1ccccc1)CC(=O)N)CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(N)C)CS)CC(=O)O)C)CS)Cc1nc[nH]c1)CCCN=C(N)N)CC(C)C)C)CC(C)C)CC(C)C)CO)CCCN=C(N)N)CO " . "CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(C)C" . "DNKYDHSONDSTNJ-XJVRLEFXSA-N" . "InChI=1S/C163H269N51O49S2/c1-73(2)52-97(186-116(226)65-179-131(233)82(18)183-139(241)98(53-74(3)4)193-137(239)94(44-35-49-176-162(171)172)188-142(244)101(57-91-62-175-72-182-91)199-159(261)128(88(24)221)213-156(258)123(79(13)14)207-151(253)110(71-265)204-160(262)126(86(22)219)210-133(235)84(20)185-157(259)125(85(21)218)211-147(249)105(61-119(229)230)198-150(252)109(70-264)203-130(232)81(17)166)140(242)194-99(54-75(5)6)141(243)202-108(69-217)149(251)190-95(45-36-50-177-163(173)174)138(240)201-106(67-215)134(236)180-63-115(225)178-64-118(228)205-121(77(9)10)155(257)208-122(78(11)12)154(256)191-93(43-32-34-48-165)136(238)196-102(58-112(167)222)144(246)197-103(59-113(168)223)143(245)195-100(56-90-40-29-26-30-41-90)145(247)209-124(80(15)16)161(263)214-51-37-46-111(214)152(254)212-127(87(23)220)158(260)200-104(60-114(169)224)146(248)206-120(76(7)8)153(255)181-66-117(227)187-107(68-216)148(250)189-92(42-31-33-47-164)135(237)184-83(19)132(234)192-96(129(170)231)55-89-38-27-25-28-39-89/h25-30,38-41,62,72-88,92-111,120-128,215-221,264-265H,31-37,42-61,63-71,164-166H2,1-24H3,(H2,167,222)(H2,168,223)(H2,169,224)(H2,170,231)(H,175,182)(H,178,225)(H,179,233)(H,180,236)(H,181,255)(H,183,241)(H,184,237)(H,185,259)(H,186,226)(H,187,227)(H,188,244)(H,189,250)(H,190,251)(H,191,256)(H,192,234)(H,193,239)(H,194,242)(H,195,245)(H,196,238)(H,197,246)(H,198,252)(H,199,261)(H,200,260)(H,201,240)(H,202,243)(H,203,232)(H,204,262)(H,205,228)(H,206,248)(H,207,253)(H,208,257)(H,209,247)(H,210,235)(H,211,249)(H,212,254)(H,213,258)(H,229,230)(H4,171,172,176)(H4,173,174,177)/t81-,82-,83-,84-,85+,86+,87+,88+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,120-,121-,122-,123-,124-,125-,126-,127-,128-/m0/s1" . "OCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)Cc1ccc(cc1)O)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(CCCN=C(N)N)N " . "NC(N)=NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O" . "MWVUEDATXZGOMI-FDISYFBBSA-N" . "InChI=1S/C50H73N15O12/c51-32(11-4-20-56-49(52)53)45(73)65-24-8-15-39(65)47(75)64-23-6-13-37(64)43(71)58-27-40(68)59-34(25-29-9-2-1-3-10-29)41(69)62-36(28-66)46(74)63-22-7-14-38(63)44(72)61-35(26-30-16-18-31(67)19-17-30)42(70)60-33(48(76)77)12-5-21-57-50(54)55/h1-3,9-10,16-19,32-39,66-67H,4-8,11-15,20-28,51H2,(H,58,71)(H,59,68)(H,60,70)(H,61,72)(H,62,69)(H,76,77)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N)CCSC)CC(C)C)Cc1ccc(cc1)C)Cc1ccccc1)Cc1ccccc1)CC(=O)O)Cc1nc[nH]c1)NC(=O)C(CC(=O)O)N " . "CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(C)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(N)=O" . "KMFPXKZQAUGUIY-UILVTTEASA-N" . "InChI=1S/C60H81N13O14S2/c1-34(2)24-43(56(83)67-41(52(62)79)20-22-88-4)66-49(74)32-64-54(81)44(27-38-18-16-35(3)17-19-38)69-57(84)45(25-36-12-8-6-9-13-36)70-58(85)46(26-37-14-10-7-11-15-37)71-60(87)48(30-51(77)78)73-59(86)47(28-39-31-63-33-65-39)72-55(82)42(21-23-89-5)68-53(80)40(61)29-50(75)76/h6-19,31,33-34,40-48H,20-30,32,61H2,1-5H3,(H2,62,79)(H,63,65)(H,64,81)(H,66,74)(H,67,83)(H,68,80)(H,69,84)(H,70,85)(H,71,87)(H,72,82)(H,73,86)(H,75,76)(H,77,78)/t40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1" . "CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(OCC[N+](C)(C)C)[O-])O" . "CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(OCC[N+](C)(C)C)[O-])O" . "YAMUFBLWGFFICM-PTGWMXDISA-N" . "InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/b13-12-/t25-/m1/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)C(CC)C)C(CC)C)CC(=O)O)CC(C)C)Cc1nc[nH]c1)C)Cc1ccccc1)Cc1ccc(cc1)O)C(C)C)C)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CO)C)CO)CO)CC(C)C)CCSC)CC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC" . "NRTWVLDGYXCWHD-IGKRDWOESA-N" . "InChI=1S/C109H163N25O32S/c1-16-56(9)87(107(163)128-79(109(165)166)43-64-47-113-68-28-22-21-27-67(64)68)134-108(164)88(57(10)17-2)133-102(158)78(46-85(143)144)126-98(154)73(40-54(5)6)122-100(156)76(44-65-48-112-52-114-65)121-90(146)59(12)116-96(152)74(41-62-25-19-18-20-26-62)124-99(155)75(42-63-30-32-66(138)33-31-63)127-106(162)86(55(7)8)132-92(148)61(14)115-93(149)70(34-35-83(139)140)119-94(150)69(29-23-24-37-110)118-101(157)77(45-84(141)142)125-95(151)71(36-38-167-15)120-97(153)72(39-53(3)4)123-104(160)82(51-137)131-105(161)81(50-136)130-91(147)60(13)117-103(159)80(49-135)129-89(145)58(11)111/h18-22,25-28,30-33,47-48,52-61,69-82,86-88,113,135-138H,16-17,23-24,29,34-46,49-51,110-111H2,1-15H3,(H,112,114)(H,115,149)(H,116,152)(H,117,159)(H,118,157)(H,119,150)(H,120,153)(H,121,146)(H,122,156)(H,123,160)(H,124,155)(H,125,151)(H,126,154)(H,127,162)(H,128,163)(H,129,145)(H,130,147)(H,131,161)(H,132,148)(H,133,158)(H,134,164)(H,139,140)(H,141,142)(H,143,144)(H,165,166)/t56-,57-,58-,59-,60-,61-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,86-,87-,88-/m0/s1" . "CC(CC(C(=O)NC(C(=O)N)CCCNC(=N)N)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(C(O)C)N)CC(C)C)C" . "CC(C[C@@H](C(=O)N[C@H](C(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]([C@H](O)C)N)CC(C)C)C" . "ANAMCEKSRDPIPX-GFGQVAFXSA-N" . "InChI=1S/C31H53N9O6/c1-17(2)14-22(27(43)37-21(26(33)42)12-9-13-36-31(34)35)38-28(44)23(15-18(3)4)39-29(45)24(16-20-10-7-6-8-11-20)40-30(46)25(32)19(5)41/h6-8,10-11,17-19,21-25,41H,9,12-16,32H2,1-5H3,(H2,33,42)(H,37,43)(H,38,44)(H,39,45)(H,40,46)(H4,34,35,36)/t19-,21+,22+,23+,24+,25+/m1/s1" . "NCCCCC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)CCCCN)Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(cc1)O)N)CC(C)C)CCCN=C(N)N " . "CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O" . "KZTDMJBCZSGHOG-XJIZABAQSA-N" . "InChI=1S/C60H89N15O13/c1-36(2)30-46(73-56(84)47(32-37-12-4-3-5-13-37)69-51(79)35-67-50(78)34-68-52(80)42(63)31-38-18-22-40(76)23-19-38)55(83)71-44(16-10-28-66-60(64)65)53(81)70-43(14-6-8-26-61)54(82)74-48(33-39-20-24-41(77)25-21-39)58(86)75-29-11-17-49(75)57(85)72-45(59(87)88)15-7-9-27-62/h3-5,12-13,18-25,36,42-49,76-77H,6-11,14-17,26-35,61-63H2,1-2H3,(H,67,78)(H,68,80)(H,69,79)(H,70,81)(H,71,83)(H,72,85)(H,73,84)(H,74,82)(H,87,88)(H4,64,65,66)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1" . "OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccccc1)CCCN=C(N)N)CCC(=O)N)C)C)CC(C)C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(N)C)CCC(=O)O)CC(C)C)CC(=O)N)CO)CCC(=O)N)Cc1ccccc1 " . "CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O" . "YPBGORNZMUQFSF-KWFINLGMSA-N" . "InChI=1S/C90H131N25O26/c1-45(2)34-59(104-72(122)42-100-76(127)56(28-31-73(123)124)103-71(121)41-99-74(125)47(5)91)81(132)111-63(39-70(94)120)84(135)114-65(43-116)85(136)106-57(26-29-68(92)118)79(130)109-61(36-50-18-10-8-11-19-50)82(133)110-62(38-52-40-98-54-23-15-14-22-53(52)54)83(134)113-66(44-117)86(137)108-60(35-46(3)4)80(131)101-48(6)75(126)102-49(7)88(139)115-33-17-25-67(115)87(138)107-58(27-30-69(93)119)78(129)105-55(24-16-32-97-90(95)96)77(128)112-64(89(140)141)37-51-20-12-9-13-21-51/h8-15,18-23,40,45-49,55-67,98,116-117H,16-17,24-39,41-44,91H2,1-7H3,(H2,92,118)(H2,93,119)(H2,94,120)(H,99,125)(H,100,127)(H,101,131)(H,102,126)(H,103,121)(H,104,122)(H,105,129)(H,106,136)(H,107,138)(H,108,137)(H,109,130)(H,110,133)(H,111,132)(H,112,128)(H,113,134)(H,114,135)(H,123,124)(H,140,141)(H4,95,96,97)/t47-,48-,49-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C(=O)O)CO)C)CO)CO)CC(=O)N)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1nc[nH]c1)N)CO)CC(=O)O)Cc1ccccc1)CO)CC(=O)O)CC(C)C)CO)CCCCN)CCC(=O)N)CCSC)CCC(=O)O)CCC(=O)O)CCC(=O)O)C)CCCN=C(N)N)CC(C)C)Cc1ccccc1)CCC(=O)O)CC(C)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O" . "IMYQGQFNKXTSQA-IEQINRSDSA-N" . "InChI=1S/C184H281N49O62S/c1-16-93(10)146(177(288)210-112(51-56-142(254)255)161(272)215-119(71-100-76-194-104-39-24-23-38-102(100)104)166(277)212-114(66-89(2)3)163(274)202-106(41-26-28-59-186)156(267)216-120(73-134(189)243)151(262)196-78-135(244)195-81-138(247)230-61-30-43-129(230)174(285)223-126(85-237)173(284)221-123(82-234)153(264)198-79-136(245)200-95(12)180(291)232-63-32-45-131(232)182(293)233-64-33-46-132(233)181(292)231-62-31-44-130(231)175(286)225-128(87-239)183(294)295)228-168(279)117(69-98-34-19-17-20-35-98)214-164(275)115(67-90(4)5)211-157(268)107(42-29-60-193-184(190)191)209-176(287)145(92(8)9)227-149(260)94(11)201-154(265)109(48-53-139(248)249)205-159(270)110(49-54-140(250)251)206-160(271)111(50-55-141(252)253)207-162(273)113(57-65-296-15)208-158(269)108(47-52-133(188)242)204-155(266)105(40-25-27-58-185)203-170(281)125(84-236)222-165(276)116(68-91(6)7)213-167(278)122(75-144(258)259)218-172(283)127(86-238)224-179(290)148(97(14)241)229-169(280)118(70-99-36-21-18-22-37-99)219-178(289)147(96(13)240)226-137(246)80-197-152(263)121(74-143(256)257)217-171(282)124(83-235)220-150(261)103(187)72-101-77-192-88-199-101/h17-24,34-39,76-77,88-97,103,105-132,145-148,194,234-241H,16,25-33,40-75,78-87,185-187H2,1-15H3,(H2,188,242)(H2,189,243)(H,192,199)(H,195,244)(H,196,262)(H,197,263)(H,198,264)(H,200,245)(H,201,265)(H,202,274)(H,203,281)(H,204,266)(H,205,270)(H,206,271)(H,207,273)(H,208,269)(H,209,287)(H,210,288)(H,211,268)(H,212,277)(H,213,278)(H,214,275)(H,215,272)(H,216,267)(H,217,282)(H,218,283)(H,219,289)(H,220,261)(H,221,284)(H,222,276)(H,223,285)(H,224,290)(H,225,286)(H,226,246)(H,227,260)(H,228,279)(H,229,280)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,294,295)(H4,190,191,193)/t93-,94-,95-,96+,97+,103-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,145-,146-,147-,148-/m0/s1" . "CSCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)C(=O)C(CC(=O)O)N)Cc1ccc(cc1)O)CCSC)Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(Cc1ccccc1)NN)CC(=O)O" . "CSCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)C(=O)[C@H](CC(=O)O)N)Cc1ccc(cc1)O)CCSC)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NN)CC(=O)O" . "ZBTPHEHKAHBSMT-YRVFCXMDSA-N" . "InChI=1S/C49H62N10O13S2/c1-73-18-16-34(46(69)56-36(20-28-12-14-30(60)15-13-28)44(67)43(66)32(50)23-41(62)63)54-40(61)26-53-45(68)37(22-29-25-52-33-11-7-6-10-31(29)33)57-47(70)35(17-19-74-2)55-48(71)38(24-42(64)65)58-49(72)39(59-51)21-27-8-4-3-5-9-27/h3-15,25,32,34-39,52,59-60H,16-24,26,50-51H2,1-2H3,(H,53,68)(H,54,61)(H,55,71)(H,56,69)(H,57,70)(H,58,72)(H,62,63)(H,64,65)/t32-,34-,35-,36-,37-,38-,39-/m0/s1" . "CCCCCCCCCCCCCCCC(=O)NCCO" . "CCCCCCCCCCCCCCCC(=O)NCCO" . "HXYVTAGFYLMHSO-UHFFFAOYSA-N" . "InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)" . "CCCCCCCCCCCCCCCCCC(=O)NCCO" . "CCCCCCCCCCCCCCCCCC(=O)NCCO" . "OTGQIQQTPXJQRG-UHFFFAOYSA-N" . "InChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h22H,2-19H2,1H3,(H,21,23)" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)O)CCC(=O)N)CCCCN)CCCCN)Cc1nc[nH]c1)C(C)C)CC(=O)N)CCCCN)C(CC)C)C(CC)C)C)CC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(C(C)C)NC(=O)C(NC(=O)C1CCCN1C(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(cc1)O)N)CCSC)CO)CCC(=O)O)CCCCN)CO)CCC(=O)N)CC(C)C)CC(C)C)Cc1ccccc1 " . "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C)[C@@H](C)CC" . "KSZMZNRVPCEDEO-KFHPFRHLSA-N" . "InChI=1S/C157H254N42O44S/c1-18-84(11)125(152(237)183-100(45-30-35-62-162)135(220)186-111(72-118(167)209)146(231)192-123(82(7)8)150(235)189-109(70-93-73-168-79-172-93)144(229)179-97(42-27-32-59-159)133(218)176-96(41-26-31-58-158)132(217)171-76-121(212)174-104(157(242)243)52-55-116(165)207)195-153(238)126(85(12)19-2)194-130(215)86(13)173-140(225)110(71-117(166)208)185-134(219)98(43-28-33-60-160)178-143(228)108(69-91-39-24-21-25-40-91)184-141(226)105(65-80(3)4)188-154(239)128(88(15)203)197-151(236)124(83(9)10)193-145(230)106(66-81(5)6)187-149(234)114-46-36-63-199(114)156(241)129(89(16)204)198-138(223)101(51-54-115(164)206)180-147(232)112(77-200)190-136(221)99(44-29-34-61-161)177-137(222)102(53-56-122(213)214)181-148(233)113(78-201)191-155(240)127(87(14)202)196-139(224)103(57-64-244-17)182-142(227)107(68-90-37-22-20-23-38-90)175-120(211)75-169-119(210)74-170-131(216)95(163)67-92-47-49-94(205)50-48-92/h20-25,37-40,47-50,73,79-89,95-114,123-129,200-205H,18-19,26-36,41-46,51-72,74-78,158-163H2,1-17H3,(H2,164,206)(H2,165,207)(H2,166,208)(H2,167,209)(H,168,172)(H,169,210)(H,170,216)(H,171,217)(H,173,225)(H,174,212)(H,175,211)(H,176,218)(H,177,222)(H,178,228)(H,179,229)(H,180,232)(H,181,233)(H,182,227)(H,183,237)(H,184,226)(H,185,219)(H,186,220)(H,187,234)(H,188,239)(H,189,235)(H,190,221)(H,191,240)(H,192,231)(H,193,230)(H,194,215)(H,195,238)(H,196,224)(H,197,236)(H,198,223)(H,213,214)(H,242,243)/t84-,85-,86-,87+,88+,89+,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,123-,124-,125-,126-,127-,128-,129-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)O)CCC(=O)N)CCCCN)CCCCN)Cc1nc[nH]c1)C)CC(=O)N)CCCCN)C(CC)C)C(CC)C)C)CC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(C(C)C)NC(=O)C(NC(=O)C1CCCN1C(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(cc1)O)N)CCSC)CO)CCC(=O)O)CCCCN)CO)CCC(=O)N)CC(C)C)CC(C)C)Cc1ccccc1 " . "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)CC" . "HQALISCIMNBRAE-XJTHNYJFSA-N" . "InChI=1S/C155H250N42O44S/c1-17-82(9)123(150(235)182-99(44-29-34-61-160)134(219)186-109(70-116(164)206)139(224)171-84(11)128(213)183-108(69-92-72-166-78-170-92)144(229)178-96(41-26-31-58-157)132(217)175-95(40-25-30-57-156)131(216)169-75-120(210)173-103(155(240)241)51-54-115(163)205)193-151(236)124(83(10)18-2)192-129(214)85(12)172-140(225)110(71-117(165)207)185-133(218)97(42-27-32-59-158)177-143(228)107(68-90-38-23-20-24-39-90)184-141(226)104(64-79(3)4)188-152(237)126(87(14)201)195-149(234)122(81(7)8)191-145(230)105(65-80(5)6)187-148(233)113-45-35-62-197(113)154(239)127(88(15)202)196-137(222)100(50-53-114(162)204)179-146(231)111(76-198)189-135(220)98(43-28-33-60-159)176-136(221)101(52-55-121(211)212)180-147(232)112(77-199)190-153(238)125(86(13)200)194-138(223)102(56-63-242-16)181-142(227)106(67-89-36-21-19-22-37-89)174-119(209)74-167-118(208)73-168-130(215)94(161)66-91-46-48-93(203)49-47-91/h19-24,36-39,46-49,72,78-88,94-113,122-127,198-203H,17-18,25-35,40-45,50-71,73-77,156-161H2,1-16H3,(H2,162,204)(H2,163,205)(H2,164,206)(H2,165,207)(H,166,170)(H,167,208)(H,168,215)(H,169,216)(H,171,224)(H,172,225)(H,173,210)(H,174,209)(H,175,217)(H,176,221)(H,177,228)(H,178,229)(H,179,231)(H,180,232)(H,181,227)(H,182,235)(H,183,213)(H,184,226)(H,185,218)(H,186,219)(H,187,233)(H,188,237)(H,189,220)(H,190,238)(H,191,230)(H,192,214)(H,193,236)(H,194,223)(H,195,234)(H,196,222)(H,211,212)(H,240,241)/t82-,83-,84-,85-,86+,87+,88+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,122-,123-,124-,125-,126-,127-/m0/s1" . "OCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)CO)CO)CCC(=O)O)CC(C)C)CO)C(O)C)CO)C(O)C)CO)C(O)C)Cc1c[nH]cn1)CCC(=O)N)CC(=O)O)CCC(=O)O)CC(C)C)CC(C)C)NC(=O)CNC(=O)C(C(O)C)NC(=O)C(C(O)C)NC(=O)CNC(=O)C1CCCN1C(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)N)CCCN=C(N)N)CO)C " . "CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O" . "XGMQCPAHDHXSHS-BPXTXZCYSA-N" . "InChI=1S/C145H229N43O54/c1-64(2)45-83(161-102(203)53-156-115(213)89(56-189)162-103(204)54-158-133(231)109(69(9)197)183-137(235)110(70(10)198)179-104(205)55-157-127(225)96-27-18-40-184(96)140(238)87(48-74-51-155-77-24-15-14-23-76(74)77)171-114(212)67(7)160-122(220)90(57-190)173-116(214)78(25-16-38-153-144(148)149)164-132(230)108(147)68(8)196)118(216)168-84(46-65(3)4)119(217)163-79(33-36-105(206)207)117(215)172-88(50-107(210)211)141(239)187-43-21-28-97(187)128(226)166-80(32-35-101(146)202)138(236)185-41-19-29-98(185)129(227)170-86(49-75-52-152-63-159-75)121(219)180-112(72(12)200)136(234)178-95(62-195)142(240)188-44-22-31-100(188)131(229)182-113(73(13)201)135(233)177-94(61-194)126(224)181-111(71(11)199)134(232)176-93(60-193)124(222)169-85(47-66(5)6)120(218)165-81(34-37-106(208)209)139(237)186-42-20-30-99(186)130(228)175-92(59-192)125(223)174-91(58-191)123(221)167-82(143(241)242)26-17-39-154-145(150)151/h14-15,23-24,51-52,63-73,78-100,108-113,155,189-201H,16-22,25-50,53-62,147H2,1-13H3,(H2,146,202)(H,152,159)(H,156,213)(H,157,225)(H,158,231)(H,160,220)(H,161,203)(H,162,204)(H,163,217)(H,164,230)(H,165,218)(H,166,226)(H,167,221)(H,168,216)(H,169,222)(H,170,227)(H,171,212)(H,172,215)(H,173,214)(H,174,223)(H,175,228)(H,176,232)(H,177,233)(H,178,234)(H,179,205)(H,180,219)(H,181,224)(H,182,229)(H,183,235)(H,206,207)(H,208,209)(H,210,211)(H,241,242)(H4,148,149,153)(H4,150,151,154)/t67-,68+,69+,70+,71+,72+,73+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,108-,109-,110-,111-,112-,113-/m0/s1" . "OCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)CC(C)C)CO)CCC(=O)O)CC(C)C)CO)C(O)C)CCCN=C(N)N)CO)C(O)C)Cc1c[nH]cn1)CC(C)C)CC(=O)O)CCC(=O)O)CC(C)C)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C1CCCN1C(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)N)CCCN=C(N)N)CO)C)CO)C)C " . "CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[C@@H](C)O)[C@@H](C)O" . "KEZYYGMSXINOCO-DIOZNAPMSA-N" . "InChI=1S/C144H233N43O48/c1-65(2)47-86(162-104(198)57-157-115(208)94(58-188)175-114(207)71(12)159-112(205)70(11)161-134(227)109(74(15)195)183-128(221)99(63-193)178-132(225)103-35-26-45-186(103)139(232)92(52-77-55-156-80-28-19-18-27-79(77)80)172-113(206)72(13)160-124(217)95(59-189)176-116(209)81(29-20-40-153-142(146)147)165-133(226)108(145)73(14)194)119(212)168-87(48-66(3)4)120(213)164-83(36-38-105(199)200)117(210)173-93(54-107(203)204)140(233)187-46-25-33-101(187)130(223)174-91(51-69(9)10)138(231)185-44-24-32-100(185)129(222)171-90(53-78-56-152-64-158-78)123(216)182-111(76(17)197)136(229)179-97(61-191)125(218)163-82(30-21-41-154-143(148)149)118(211)181-110(75(16)196)135(228)180-98(62-192)127(220)169-88(49-67(5)6)121(214)166-84(37-39-106(201)202)137(230)184-43-23-34-102(184)131(224)177-96(60-190)126(219)170-89(50-68(7)8)122(215)167-85(141(234)235)31-22-42-155-144(150)151/h18-19,27-28,55-56,64-76,81-103,108-111,156,188-197H,20-26,29-54,57-63,145H2,1-17H3,(H,152,158)(H,157,208)(H,159,205)(H,160,217)(H,161,227)(H,162,198)(H,163,218)(H,164,213)(H,165,226)(H,166,214)(H,167,215)(H,168,212)(H,169,220)(H,170,219)(H,171,222)(H,172,206)(H,173,210)(H,174,223)(H,175,207)(H,176,209)(H,177,224)(H,178,225)(H,179,229)(H,180,228)(H,181,211)(H,182,216)(H,183,221)(H,199,200)(H,201,202)(H,203,204)(H,234,235)(H4,146,147,153)(H4,148,149,154)(H4,150,151,155)/t70-,71-,72-,73+,74+,75+,76+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,108-,109-,110-,111-/m0/s1" . "NCC1CCCN(C1)C(=O)c1ccc2c(c1)C(C(=O)NC1CCN(CC1)CC1=CCCCCCCC1)c1c(O2)cccc1" . "NC[C@@H]1CCCN(C1)C(=O)c1ccc2c(c1)C(C(=O)NC1CCN(CC1)CC1=CCCCCCCC1)c1c(O2)cccc1" . "AAPRNHKWNGDTOT-UXYOARKHSA-N" . "InChI=1S/C36H48N4O3/c37-23-27-12-9-19-40(25-27)36(42)28-15-16-33-31(22-28)34(30-13-7-8-14-32(30)43-33)35(41)38-29-17-20-39(21-18-29)24-26-10-5-3-1-2-4-6-11-26/h7-8,10,13-16,22,27,29,34H,1-6,9,11-12,17-21,23-25,37H2,(H,38,41)/b26-10+/t27-,34?/m0/s1" . "OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)CO)CC(=O)O)CC(C)C)CCC(=O)O)CC(C)C)CO)C(O)C)C(O)C)CO)C(O)C)CC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(C(O)C)NC(=O)C(C(C)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)N)CCCN=C(N)N)CO)C)CC(C)C)CC(=O)O)CO)CO)CC(C)C)CCC(=O)O)Cc1c[nH]cn1)CC(C)C " . "CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O" . "JDXPQNLGWWSTQH-MPTHIHOZSA-N" . "InChI=1S/C142H228N42O58/c1-58(2)33-78(158-96(197)47-153-114(215)89(50-185)160-98(199)48-155-135(236)108(66(15)193)183-136(237)107(63(11)12)180-99(200)49-154-115(216)90(51-186)174-126(227)86(41-103(207)208)171-121(222)81(36-61(7)8)167-123(224)83(38-70-44-151-73-24-20-19-23-72(70)73)165-112(213)64(13)157-129(230)91(52-187)175-116(217)74(25-21-31-149-141(144)145)163-134(235)106(143)65(14)192)118(219)161-75(27-29-100(201)202)113(214)152-46-97(198)159-85(40-102(205)206)125(226)170-84(39-71-45-148-57-156-71)124(225)168-82(37-62(9)10)122(223)176-93(54-189)131(232)173-88(43-105(211)212)128(229)181-109(67(16)194)137(238)179-95(56-191)133(234)182-111(69(18)196)139(240)184-110(68(17)195)138(239)178-94(55-190)132(233)169-79(34-59(3)4)119(220)162-76(28-30-101(203)204)117(218)166-80(35-60(5)6)120(221)172-87(42-104(209)210)127(228)177-92(53-188)130(231)164-77(140(241)242)26-22-32-150-142(146)147/h19-20,23-24,44-45,57-69,74-95,106-111,151,185-196H,21-22,25-43,46-56,143H2,1-18H3,(H,148,156)(H,152,214)(H,153,215)(H,154,216)(H,155,236)(H,157,230)(H,158,197)(H,159,198)(H,160,199)(H,161,219)(H,162,220)(H,163,235)(H,164,231)(H,165,213)(H,166,218)(H,167,224)(H,168,225)(H,169,233)(H,170,226)(H,171,222)(H,172,221)(H,173,232)(H,174,227)(H,175,217)(H,176,223)(H,177,228)(H,178,239)(H,179,238)(H,180,200)(H,181,229)(H,182,234)(H,183,237)(H,184,240)(H,201,202)(H,203,204)(H,205,206)(H,207,208)(H,209,210)(H,211,212)(H,241,242)(H4,144,145,149)(H4,146,147,150)/t64-,65+,66+,67+,68+,69+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,106-,107-,108-,109-,110-,111-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C(O)C)C(C)C)C(C)C)CCCCN)Cc1ccccc1)CCC(=O)N)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)Cc1ccccc1)Cc1ccc(cc1)O)CCCN=C(N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(cc1)O)N)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)CCCCN)CC(C)C)CCCCN)CC(=O)O)CC(=O)N)CCC(=O)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)C(C)C" . "VPZXNPNLCOYTOT-MBGMINRZSA-N" . "InChI=1S/C185H292N58O41/c1-14-104(12)150(241-164(268)125(57-38-80-210-184(202)203)222-156(260)123(55-36-78-208-182(198)199)226-167(271)131(85-101(6)7)233-168(272)133(87-106-41-18-15-19-42-106)217-145(252)97-213-143(250)95-215-152(256)115(190)86-109-60-64-112(245)65-61-109)177(281)230-128(58-39-81-211-185(204)205)178(282)243-82-40-59-139(243)174(278)229-119(51-28-32-74-188)159(263)231-129(83-99(2)3)165(269)223-118(50-27-31-73-187)158(262)236-136(91-111-94-212-116-48-25-24-47-114(111)116)171(275)238-138(93-147(254)255)173(277)237-137(92-142(193)249)172(276)228-126(68-70-140(191)247)161(265)219-117(49-26-30-72-186)154(258)221-124(56-37-79-209-183(200)201)160(264)234-132(90-110-62-66-113(246)67-63-110)153(257)216-96-144(251)214-98-146(253)218-134(88-107-43-20-16-21-44-107)169(273)232-130(84-100(4)5)166(270)225-122(54-35-77-207-181(196)197)155(259)220-121(53-34-76-206-180(194)195)157(261)227-127(69-71-141(192)248)162(266)235-135(89-108-45-22-17-23-46-108)170(274)224-120(52-29-33-75-189)163(267)239-148(102(8)9)175(279)240-149(103(10)11)176(280)242-151(105(13)244)179(283)284/h15-25,41-48,60-67,94,99-105,115,117-139,148-151,212,244-246H,14,26-40,49-59,68-93,95-98,186-190H2,1-13H3,(H2,191,247)(H2,192,248)(H2,193,249)(H,213,250)(H,214,251)(H,215,256)(H,216,257)(H,217,252)(H,218,253)(H,219,265)(H,220,259)(H,221,258)(H,222,260)(H,223,269)(H,224,274)(H,225,270)(H,226,271)(H,227,261)(H,228,276)(H,229,278)(H,230,281)(H,231,263)(H,232,273)(H,233,272)(H,234,264)(H,235,266)(H,236,262)(H,237,277)(H,238,275)(H,239,267)(H,240,279)(H,241,268)(H,242,280)(H,254,255)(H,283,284)(H4,194,195,206)(H4,196,197,207)(H4,198,199,208)(H4,200,201,209)(H4,202,203,210)(H4,204,205,211)/t104-,105+,115-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,148-,149-,150-,151-/m0/s1" . "Oc1ccc(cc1)CC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)Cc1ccccc1)N" . "Oc1ccc(cc1)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)Cc1ccccc1)N" . "XIJHWXXXIMEHKW-LJWNLINESA-N" . "InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1" . "CCn1nc(cc1C1CCN(CC1)CC1CC(CC1c1cccc(c1)F)N(C(C(=O)O)C(C)C)C)Cc1ccccc1" . "CCn1nc(cc1C1CCN(CC1)C[C@H]1C[C@@H](C[C@@H]1c1cccc(c1)F)N([C@@H](C(=O)O)C(C)C)C)Cc1ccccc1" . "ZTENZJJCFACIAK-ADWVOTLJSA-N" . "InChI=1S/C35H47FN4O2/c1-5-40-33(21-30(37-40)18-25-10-7-6-8-11-25)26-14-16-39(17-15-26)23-28-20-31(38(4)34(24(2)3)35(41)42)22-32(28)27-12-9-13-29(36)19-27/h6-13,19,21,24,26,28,31-32,34H,5,14-18,20,22-23H2,1-4H3,(H,41,42)/t28-,31+,32-,34-/m1/s1" . "OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)C(C)C)CC(C)C)CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=N)N)CCC(=O)N)CC(C)C)CCCNC(=N)N)C)CO)CC(=O)O)CCCNC(=N)N)CC(C)C)CCCNC(=N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1[nH]ccn1)N)CO)CC(=O)O)Cc1ccccc1)CO)CCC(=O)O)CC(C)C" . "CC(C)CC(C(=O)NC(C(C)C)C(=O)O)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(Cc1ccccc1)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(Cc1ncc[nH]1)N" . "KKNIUBFRGPFELP-UHFFFAOYSA-N" . "InChI=1S/C130H219N43O42/c1-59(2)43-78(118(206)172-99(65(13)14)126(214)215)151-94(182)53-148-104(192)75(31-34-91(132)180)156-113(201)81(46-62(7)8)163-115(203)82(47-63(9)10)161-107(195)72(28-22-38-145-128(136)137)153-110(198)76(32-35-92(133)181)157-114(202)80(45-61(5)6)159-106(194)71(27-21-37-144-127(134)135)152-102(190)66(15)150-120(208)87(55-174)168-117(205)86(52-98(188)189)165-109(197)73(29-23-39-146-129(138)139)154-112(200)79(44-60(3)4)160-108(196)74(30-24-40-147-130(140)141)155-121(209)89(57-176)169-116(204)83(48-64(11)12)162-111(199)77(33-36-96(184)185)158-122(210)90(58-177)170-125(213)101(68(17)179)173-119(207)84(49-69-25-19-18-20-26-69)166-124(212)100(67(16)178)171-95(183)54-149-105(193)85(51-97(186)187)164-123(211)88(56-175)167-103(191)70(131)50-93-142-41-42-143-93/h18-20,25-26,41-42,59-68,70-90,99-101,174-179H,21-24,27-40,43-58,131H2,1-17H3,(H2,132,180)(H2,133,181)(H,142,143)(H,148,192)(H,149,193)(H,150,208)(H,151,182)(H,152,190)(H,153,198)(H,154,200)(H,155,209)(H,156,201)(H,157,202)(H,158,210)(H,159,194)(H,160,196)(H,161,195)(H,162,199)(H,163,203)(H,164,211)(H,165,197)(H,166,212)(H,167,191)(H,168,205)(H,169,204)(H,170,213)(H,171,183)(H,172,206)(H,173,207)(H,184,185)(H,186,187)(H,188,189)(H,214,215)(H4,134,135,144)(H4,136,137,145)(H4,138,139,146)(H4,140,141,147)" . "OC(=O)C(Cc1ccc(c(c1)O)O)N" . "OC(=O)[C@H](Cc1ccc(c(c1)O)O)N" . "WTDRDQBEARUVNC-LURJTMIESA-N" . "InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1" . "CCCC(=O)OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CC" . "CCCC(=O)O[C@@H](COP(=O)(OC[C@@H](C(=O)O)N)O)COC(=O)CC" . "UNJJBGNPUUVVFQ-ZJUUUORDSA-N" . "InChI=1S/C13H24NO10P/c1-3-5-12(16)24-9(6-21-11(15)4-2)7-22-25(19,20)23-8-10(14)13(17)18/h9-10H,3-8,14H2,1-2H3,(H,17,18)(H,19,20)/t9-,10+/m1/s1" . "OC(=O)CCC(=O)O" . "OC(=O)CCC(=O)O" . "KDYFGRWQOYBRFD-UHFFFAOYSA-N" . "InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)" . "OC(=O)CCC(=O)C(=O)O" . "OC(=O)CCC(=O)C(=O)O" . "KPGXRSRHYNQIFN-UHFFFAOYSA-N" . "InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)" . "CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCC(=O)O" . "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NCC(=O)O" . "YLEARPUNMCCKMP-DOFZRALJSA-N" . "InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23-20-22(25)26/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,23,24)(H,25,26)/b7-6-,10-9-,13-12-,16-15-" . "O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1" . "O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc2c1oc(cc2=O)c1[nH]nnn1" . "NBQKINXMPLXUET-UHFFFAOYSA-N" . "InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)" . "CN1CC(=CCC1)c1nsnc1SCCCF" . "CN1CC(=CCC1)c1nsnc1SCCC[18F]" . "NQKPPQNBFQLLIZ-DWSYCVKZSA-N" . "InChI=1S/C11H16FN3S2/c1-15-6-2-4-9(8-15)10-11(14-17-13-10)16-7-3-5-12/h4H,2-3,5-8H2,1H3/i12-1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)CCCN=C(N)N)CCC(=O)N)CC(C)C)CCCCN)C)CCCCN)CCCCN)CO)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CN)CO)CO)Cc1ccccc1)CC(C)C)CO)CCC(=O)O)Cc1nc[nH]c1)CCC(=O)N)CCCCN)C)CCC(=O)N)CCC(=O)N)CCCN=C(N)N " . "CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O" . "CMCPTGQGZXKKEH-MGXJLMSJSA-N" . "InChI=1S/C139H231N45O41/c1-73(2)62-92(123(210)172-90(42-48-107(149)192)134(221)181-58-22-37-102(181)132(219)173-91(137(224)225)34-21-57-156-139(152)153)174-117(204)80(29-11-16-52-141)161-112(199)76(6)159-130(217)100-35-24-60-183(100)136(223)103-38-25-61-184(103)133(220)89(32-14-19-55-144)171-116(203)82(31-13-18-54-143)166-128(215)97(69-186)178-122(209)87(43-49-109(194)195)168-114(201)81(30-12-17-53-142)164-115(202)83(33-20-56-155-138(150)151)165-119(206)85(40-46-105(147)190)167-118(205)84(39-45-104(146)189)162-111(198)75(5)158-113(200)79(28-10-15-51-140)163-120(207)86(41-47-106(148)191)169-126(213)95(65-78-67-154-72-157-78)177-121(208)88(44-50-110(196)197)170-131(218)101-36-23-59-182(101)135(222)99(71-188)180-124(211)93(63-74(3)4)175-125(212)94(64-77-26-8-7-9-27-77)176-129(216)98(70-187)179-127(214)96(68-185)160-108(193)66-145/h7-9,26-27,67,72-76,79-103,185-188H,10-25,28-66,68-71,140-145H2,1-6H3,(H2,146,189)(H2,147,190)(H2,148,191)(H2,149,192)(H,154,157)(H,158,200)(H,159,217)(H,160,193)(H,161,199)(H,162,198)(H,163,207)(H,164,202)(H,165,206)(H,166,215)(H,167,205)(H,168,201)(H,169,213)(H,170,218)(H,171,203)(H,172,210)(H,173,219)(H,174,204)(H,175,212)(H,176,216)(H,177,208)(H,178,209)(H,179,214)(H,180,211)(H,194,195)(H,196,197)(H,224,225)(H4,150,151,155)(H4,152,153,156)/t75-,76-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CO)C(O)C)CC(C)C)CC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CN)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)Cc1nc[nH]c1)C)Cc1nc[nH]c1)CCCN=C(N)N)CO)Cc1ccccc1)CO)CC(=O)O " . "CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O" . "CBSXZYWGVAQSHI-RUKUCZSXSA-N" . "InChI=1S/C139H210N42O43/c1-65(2)38-84(165-121(206)86(40-67(5)6)166-123(208)88(43-75-31-33-79(188)34-32-75)161-106(193)55-151-114(199)70(11)157-131(216)97(59-182)175-127(212)95(49-104(144)191)170-122(207)87(41-68(7)8)173-136(221)112(72(13)186)180-130(215)90(159-105(192)51-141)44-76-52-150-81-27-19-18-26-80(76)81)116(201)154-58-109(196)181-37-23-30-101(181)134(219)172-91(45-77-53-147-63-155-77)120(205)158-71(12)115(200)178-111(69(9)10)135(220)153-57-108(195)162-94(48-103(143)190)126(211)168-92(46-78-54-148-64-156-78)125(210)164-83(29-22-36-149-139(145)146)119(204)174-98(60-183)132(217)167-89(42-74-24-16-15-17-25-74)124(209)176-99(61-184)133(218)171-96(50-110(197)198)128(213)163-82(28-20-21-35-140)118(203)169-93(47-102(142)189)117(202)152-56-107(194)160-85(39-66(3)4)129(214)179-113(73(14)187)137(222)177-100(62-185)138(223)224/h15-19,24-27,31-34,52-54,63-73,82-101,111-113,150,182-188H,20-23,28-30,35-51,55-62,140-141H2,1-14H3,(H2,142,189)(H2,143,190)(H2,144,191)(H,147,155)(H,148,156)(H,151,199)(H,152,202)(H,153,220)(H,154,201)(H,157,216)(H,158,205)(H,159,192)(H,160,194)(H,161,193)(H,162,195)(H,163,213)(H,164,210)(H,165,206)(H,166,208)(H,167,217)(H,168,211)(H,169,203)(H,170,207)(H,171,218)(H,172,219)(H,173,221)(H,174,204)(H,175,212)(H,176,209)(H,177,222)(H,178,200)(H,179,214)(H,180,215)(H,197,198)(H,223,224)(H4,145,146,149)/t70-,71-,72+,73+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,111-,112-,113-/m0/s1" . "NCCCCC(C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccccc1)CCSC)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CCCCN)N)Cc1ccccc1)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)CO)Cc1nc[nH]c1 " . "CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O" . "SVWSKJCJNAIKNH-MJZUAXFLSA-N" . "InChI=1S/C96H156N34O20S/c1-55(2)47-67(83(140)127-71(53-131)86(143)125-69(50-58-51-109-54-115-58)85(142)116-60(26-11-13-38-98)78(135)114-52-76(133)128-43-18-31-72(128)87(144)122-66(36-46-151-3)91(148)130-45-20-33-74(130)89(146)126-70(92(149)150)49-57-23-8-5-9-24-57)124-81(138)63(29-16-41-112-95(105)106)120-88(145)73-32-19-44-129(73)90(147)65(30-17-42-113-96(107)108)121-82(139)64(34-35-75(100)132)119-80(137)61(27-14-39-110-93(101)102)117-79(136)62(28-15-40-111-94(103)104)118-84(141)68(48-56-21-6-4-7-22-56)123-77(134)59(99)25-10-12-37-97/h4-9,21-24,51,54-55,59-74,131H,10-20,25-50,52-53,97-99H2,1-3H3,(H2,100,132)(H,109,115)(H,114,135)(H,116,142)(H,117,136)(H,118,141)(H,119,137)(H,120,145)(H,121,139)(H,122,144)(H,123,134)(H,124,138)(H,125,143)(H,126,146)(H,127,140)(H,149,150)(H4,101,102,110)(H4,103,104,111)(H4,105,106,112)(H4,107,108,113)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccccc1)CCSC)CCCCN)Cc1nc[nH]c1)CO)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)CCCN=C(N)N)Cc1ccccc1)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)CNC(=O)C1CCCN1C(=O)CNC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N)CCCCN)CCCN=C(N)N)CO)CCCN=C(N)N)C)CCC(=O)N)CCCN=C(N)N)CCCN=C(N)N " . "CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O" . "NRXGOOSANFUBIE-ZINMNJNTSA-N" . "InChI=1S/C185H304N68O43S/c1-98(2)82-109(189)148(266)246-144(100(5)6)172(290)238-122(46-21-24-67-188)174(292)251-78-35-58-135(251)169(287)235-119(53-31-74-215-184(204)205)159(277)248-146(103(9)257)173(291)245-131(96-255)164(282)231-118(52-30-73-214-183(202)203)158(276)247-145(102(8)256)171(289)222-94-143(264)249-76-33-55-132(249)166(284)220-92-140(261)224-101(7)147(265)239-127(86-106-88-217-110-43-18-17-42-108(106)110)162(280)232-120(60-62-137(190)258)150(268)219-90-139(260)218-91-141(262)225-112(47-25-68-209-178(192)193)151(269)228-114(48-26-69-210-179(194)195)152(270)227-113(45-20-23-66-187)155(273)241-126(84-104-38-13-11-14-39-104)161(279)230-116(50-28-71-212-181(198)199)153(271)229-115(49-27-70-211-180(196)197)154(272)233-121(61-63-138(191)259)157(275)236-123(54-32-75-216-185(206)207)175(293)252-79-36-57-134(252)168(286)234-117(51-29-72-213-182(200)201)156(274)240-125(83-99(3)4)160(278)244-130(95-254)165(283)242-128(87-107-89-208-97-223-107)163(281)226-111(44-19-22-65-186)149(267)221-93-142(263)250-77-34-56-133(250)167(285)237-124(64-81-297-10)176(294)253-80-37-59-136(253)170(288)243-129(177(295)296)85-105-40-15-12-16-41-105/h11-18,38-43,88-89,97-103,109,111-136,144-146,217,254-257H,19-37,44-87,90-96,186-189H2,1-10H3,(H2,190,258)(H2,191,259)(H,208,223)(H,218,260)(H,219,268)(H,220,284)(H,221,267)(H,222,289)(H,224,261)(H,225,262)(H,226,281)(H,227,270)(H,228,269)(H,229,271)(H,230,279)(H,231,282)(H,232,280)(H,233,272)(H,234,286)(H,235,287)(H,236,275)(H,237,285)(H,238,290)(H,239,265)(H,240,274)(H,241,273)(H,242,283)(H,243,288)(H,244,278)(H,245,291)(H,246,266)(H,247,276)(H,248,277)(H,295,296)(H4,192,193,209)(H4,194,195,210)(H4,196,197,211)(H4,198,199,212)(H4,200,201,213)(H4,202,203,214)(H4,204,205,215)(H4,206,207,216)/t101-,102+,103+,109-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,144-,145-,146-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)O)CCCN=C(N)N)CCCCN)C(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)C)C(CC)C)Cc1ccccc1)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1nc[nH]c1)N)C)CCC(=O)O)Cc1ccccc1)CO)CC(=O)O)CO)CO)Cc1ccc(cc1)O)CC(C)C)CCC(=O)O)CCC(=O)N)C)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C" . "GCYXWQUSHADNBF-AAEALURTSA-N" . "InChI=1S/C151H228N40O47/c1-17-77(10)121(148(236)169-81(14)127(215)177-105(60-87-63-160-92-36-25-24-35-90(87)92)138(226)179-101(56-74(4)5)139(227)188-119(75(6)7)146(234)176-94(37-26-28-52-152)130(218)161-65-111(199)170-93(39-30-54-159-151(156)157)129(217)164-68-118(210)211)190-140(228)103(57-84-31-20-18-21-32-84)180-135(223)99(47-51-116(206)207)175-134(222)95(38-27-29-53-153)172-125(213)79(12)166-124(212)78(11)168-133(221)98(44-48-110(155)198)171-112(200)66-162-132(220)97(46-50-115(204)205)174-136(224)100(55-73(2)3)178-137(225)102(59-86-40-42-89(197)43-41-86)181-143(231)107(69-192)184-145(233)109(71-194)185-147(235)120(76(8)9)189-142(230)106(62-117(208)209)182-144(232)108(70-193)186-150(238)123(83(16)196)191-141(229)104(58-85-33-22-19-23-34-85)183-149(237)122(82(15)195)187-113(201)67-163-131(219)96(45-49-114(202)203)173-126(214)80(13)167-128(216)91(154)61-88-64-158-72-165-88/h18-25,31-36,40-43,63-64,72-83,91,93-109,119-123,160,192-197H,17,26-30,37-39,44-62,65-71,152-154H2,1-16H3,(H2,155,198)(H,158,165)(H,161,218)(H,162,220)(H,163,219)(H,164,217)(H,166,212)(H,167,216)(H,168,221)(H,169,236)(H,170,199)(H,171,200)(H,172,213)(H,173,214)(H,174,224)(H,175,222)(H,176,234)(H,177,215)(H,178,225)(H,179,226)(H,180,223)(H,181,231)(H,182,232)(H,183,237)(H,184,233)(H,185,235)(H,186,238)(H,187,201)(H,188,227)(H,189,230)(H,190,228)(H,191,229)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H4,156,157,159)/t77-,78-,79-,80-,81-,82+,83+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,119-,120-,121-,122-,123-/m0/s1" . "CN(CCOc1cc(ccc1Cl)NS(=O)(=O)c1c(Cl)cc(cc1Cl)C(F)(F)F)C" . "CN(CCOc1cc(ccc1Cl)NS(=O)(=O)c1c(Cl)cc(cc1Cl)C(F)(F)F)C" . "UIZHOFJFIOCYLH-UHFFFAOYSA-N" . "InChI=1S/C17H16Cl3F3N2O3S/c1-25(2)5-6-28-15-9-11(3-4-12(15)18)24-29(26,27)16-13(19)7-10(8-14(16)20)17(21,22)23/h3-4,7-9,24H,5-6H2,1-2H3" . "COC(=O)C(NC(=O)c1ccc2c(c1)cccc2)Cc1ccc(cc1)N(=O)=O" . "COC(=O)[C@@H](NC(=O)c1ccc2c(c1)cccc2)Cc1ccc(cc1)N(=O)=O" . "KOLBWAVLYDRUOC-IBGZPJMESA-N" . "InChI=1S/C21H18N2O5/c1-28-21(25)19(12-14-6-10-18(11-7-14)23(26)27)22-20(24)17-9-8-15-4-2-3-5-16(15)13-17/h2-11,13,19H,12H2,1H3,(H,22,24)/t19-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(=O)O)C(O)C)C(CC)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(CC(=O)O)N)CO)Cc1ccccc1)CO)CC(=O)O)CCC(=O)O)CCSC)CO)CC(C)C)CC(=O)O)CC(=O)N)CC(C)C)C)CCCN=C(N)N)CC(=O)O)Cc1ccccc1)CC(=O)N)CC(C)C)CCC(=O)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC" . "FGSZUMQGXARWAJ-XVADTHAUSA-N" . "InChI=1S/C156H243N39O54S/c1-21-73(11)118(147(240)173-90(44-46-108(159)203)132(225)193-123(79(17)200)152(245)171-88(42-33-34-49-157)131(224)188-121(76(14)24-4)150(243)195-124(80(18)201)153(246)185-104(155(248)249)64-117(217)218)189-142(235)95(54-72(9)10)175-136(229)98(57-84-65-165-87-41-32-31-40-85(84)87)178-138(231)100(60-110(161)205)184-148(241)119(74(12)22-2)190-143(236)97(56-83-38-29-26-30-39-83)176-140(233)102(62-115(213)214)180-128(221)89(43-35-50-164-156(162)163)172-151(244)122(78(16)199)192-126(219)77(15)167-133(226)93(52-70(5)6)174-137(230)99(59-109(160)204)179-141(234)103(63-116(215)216)181-134(227)94(53-71(7)8)183-149(242)120(75(13)23-3)191-154(247)125(81(19)202)194-146(239)107(69-198)186-130(223)92(48-51-250-20)170-129(222)91(45-47-112(207)208)169-139(232)101(61-114(211)212)182-145(238)106(68-197)187-135(228)96(55-82-36-27-25-28-37-82)177-144(237)105(67-196)168-111(206)66-166-127(220)86(158)58-113(209)210/h25-32,36-41,65,70-81,86,88-107,118-125,165,196-202H,21-24,33-35,42-64,66-69,157-158H2,1-20H3,(H2,159,203)(H2,160,204)(H2,161,205)(H,166,220)(H,167,226)(H,168,206)(H,169,232)(H,170,222)(H,171,245)(H,172,244)(H,173,240)(H,174,230)(H,175,229)(H,176,233)(H,177,237)(H,178,231)(H,179,234)(H,180,221)(H,181,227)(H,182,238)(H,183,242)(H,184,241)(H,185,246)(H,186,223)(H,187,228)(H,188,224)(H,189,235)(H,190,236)(H,191,247)(H,192,219)(H,193,225)(H,194,239)(H,195,243)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H,248,249)(H4,162,163,164)/t73-,74-,75-,76-,77-,78+,79+,80+,81+,86-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,118-,119-,120-,121-,122-,123-,124-,125-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(=O)O)C(O)C)C(CC)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1nc[nH]c1)N)C)CC(=O)O)CO)Cc1ccccc1)CO)CC(=O)O)CCC(=O)O)CCSC)CO)CC(C)C)CC(=O)O)CC(=O)N)CC(C)C)C)CCCN=C(N)N)CC(=O)O)Cc1ccccc1)CC(=O)N)CC(C)C)CCC(=O)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC" . "VSJTUHNYLFMYOE-HUADCCRNSA-N" . "InChI=1S/C165H255N43O56S/c1-22-77(11)125(156(255)185-96(45-47-115(168)216)141(240)206-130(84(18)213)161(260)183-94(43-34-35-50-166)140(239)201-128(80(14)25-4)159(258)208-131(85(19)214)162(261)198-111(164(263)264)66-124(230)231)202-151(250)101(55-76(9)10)188-145(244)104(58-89-67-175-93-42-33-32-41-91(89)93)191-147(246)106(61-117(170)218)197-157(256)126(78(12)23-2)203-152(251)103(57-88-39-30-27-31-40-88)189-149(248)109(64-122(226)227)193-137(236)95(44-36-51-174-165(171)172)184-160(259)129(83(17)212)205-134(233)82(16)179-142(241)99(53-74(5)6)187-146(245)105(60-116(169)217)192-150(249)110(65-123(228)229)194-143(242)100(54-75(7)8)196-158(257)127(79(13)24-3)204-163(262)132(86(20)215)207-155(254)114(72-211)199-139(238)98(49-52-265-21)182-138(237)97(46-48-119(220)221)181-148(247)108(63-121(224)225)195-154(253)113(71-210)200-144(243)102(56-87-37-28-26-29-38-87)190-153(252)112(70-209)180-118(219)69-176-136(235)107(62-120(222)223)186-133(232)81(15)178-135(234)92(167)59-90-68-173-73-177-90/h26-33,37-42,67-68,73-86,92,94-114,125-132,175,209-215H,22-25,34-36,43-66,69-72,166-167H2,1-21H3,(H2,168,216)(H2,169,217)(H2,170,218)(H,173,177)(H,176,235)(H,178,234)(H,179,241)(H,180,219)(H,181,247)(H,182,237)(H,183,260)(H,184,259)(H,185,255)(H,186,232)(H,187,245)(H,188,244)(H,189,248)(H,190,252)(H,191,246)(H,192,249)(H,193,236)(H,194,242)(H,195,253)(H,196,257)(H,197,256)(H,198,261)(H,199,238)(H,200,243)(H,201,239)(H,202,250)(H,203,251)(H,204,262)(H,205,233)(H,206,240)(H,207,254)(H,208,258)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,263,264)(H4,171,172,174)/t77-,78-,79-,80-,81-,82-,83+,84+,85+,86+,92-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,125-,126-,127-,128-,129-,130-,131-,132-/m0/s1" . "COc1nc(C)cnc1NS(=O)(=O)c1cccnc1c1ccc(cc1)c1nnco1" . "COc1nc(C)cnc1NS(=O)(=O)c1cccnc1c1ccc(cc1)c1nnco1" . "FJHHZXWJVIEFGJ-UHFFFAOYSA-N" . "InChI=1S/C19H16N6O4S/c1-12-10-21-17(19(23-12)28-2)25-30(26,27)15-4-3-9-20-16(15)13-5-7-14(8-6-13)18-24-22-11-29-18/h3-11H,1-2H3,(H,21,25)" . "Fc1ccc(cc1)Oc1ccc2c(c1)c(=O)n(c(n2)C)CC1CCCN(C1)C(C)C" . "Fc1ccc(cc1)Oc1ccc2c(c1)c(=O)n(c(n2)C)C[C@H]1CCCN(C1)C(C)C" . "FRKXOBMDEXCHHD-SFHVURJKSA-N" . "InChI=1S/C24H28FN3O2/c1-16(2)27-12-4-5-18(14-27)15-28-17(3)26-23-11-10-21(13-22(23)24(28)29)30-20-8-6-19(25)7-9-20/h6-11,13,16,18H,4-5,12,14-15H2,1-3H3/t18-/m0/s1" . "Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2" . "Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2" . "JXKQHDZUZGKDGO-UHFFFAOYSA-N" . "InChI=1S/C23H19ClN4O/c1-16-10-12-28(25-16)18-8-9-20(21(24)13-18)23(29)27-15-19-6-4-11-26(19)14-17-5-2-3-7-22(17)27/h2-13H,14-15H2,1H3" . "CC[N+]1(CCC(CC1)NC(=O)C1c2cc(Cl)ccc2Oc2c1cc(Cl)cc2)CC1CCCCCC1" . "CC[N+]1(CCC(CC1)NC(=O)C1c2cc(Cl)ccc2Oc2c1cc(Cl)cc2)CC1CCCCCC1" . "ZTXGBIXSMSZDOC-UHFFFAOYSA-O" . "InChI=1S/C29H36Cl2N2O2/c1-2-33(19-20-7-5-3-4-6-8-20)15-13-23(14-16-33)32-29(34)28-24-17-21(30)9-11-26(24)35-27-12-10-22(31)18-25(27)28/h9-12,17-18,20,23,28H,2-8,13-16,19H2,1H3/p+1" . "CC1CNC(C2CC2)C(=O)N(C)C(C)C(=O)NC(C(=O)NCCCc2c(O1)cccc2)Cc1ccc(cc1)F" . "C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@@H](C(=O)NCCCc2c(O1)cccc2)Cc1ccc(cc1)F" . "WGYPAJVJMXQXTR-ABNZCKJZSA-N" . "InChI=1S/C30H39FN4O4/c1-19-18-33-27(23-12-13-23)30(38)35(3)20(2)28(36)34-25(17-21-10-14-24(31)15-11-21)29(37)32-16-6-8-22-7-4-5-9-26(22)39-19/h4-5,7,9-11,14-15,19-20,23,25,27,33H,6,8,12-13,16-18H2,1-3H3,(H,32,37)(H,34,36)/t19-,20-,25-,27+/m1/s1" . "COCC1(CCN(CC1)CCc1cccs1)N(c1ccccc1)C(=O)CC" . "COCC1(CCN(CC1)CCc1cccs1)N(c1ccccc1)C(=O)CC" . "GGCSSNBKKAUURC-UHFFFAOYSA-N" . "InChI=1S/C22H30N2O2S/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20/h4-10,17H,3,11-16,18H2,1-2H3" . "C#CCN(C(c1ccc(c(c1)F)C)CC1CC1)c1sc(c(n1)c1cc(C)c(cc1Cl)OC)C" . "C#CCN([C@H](c1ccc(c(c1)F)C)CC1CC1)c1sc(c(n1)c1cc(C)c(cc1Cl)OC)C" . "IEAKXXNRGSLYTQ-DEOSSOPVSA-N" . "InChI=1S/C27H28ClFN2OS/c1-6-11-31(24(13-19-8-9-19)20-10-7-16(2)23(29)14-20)27-30-26(18(4)33-27)21-12-17(3)25(32-5)15-22(21)28/h1,7,10,12,14-15,19,24H,8-9,11,13H2,2-5H3/t24-/m0/s1" . "COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2" . "COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2" . "DRLFMBDRBRZALE-UHFFFAOYSA-N" . "InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)" . "CCCOc1ccc2c(c1)C(C(C2c1ccc2c(c1)OCO2)C(=O)O)c1ccc(cc1OCC(=O)O)OC" . "CCCOc1ccc2c(c1)[C@H]([C@@H]([C@H]2c1ccc2c(c1)OCO2)C(=O)O)c1ccc(cc1OCC(=O)O)OC" . "UUAVCCWBNUITBB-UPRLRBBYSA-N" . "InChI=1S/C29H28O9/c1-3-10-35-18-6-7-19-21(12-18)27(20-8-5-17(34-2)13-23(20)36-14-25(30)31)28(29(32)33)26(19)16-4-9-22-24(11-16)38-15-37-22/h4-9,11-13,26-28H,3,10,14-15H2,1-2H3,(H,30,31)(H,32,33)/t26-,27+,28+/m0/s1" . "NCCC(C(=O)NCc1ccccc1)NC(=O)C(Cc1ccc(c(c1)F)F)NC(=O)Nc1ccc2c(c1)n(Cc1c(Cl)cccc1Cl)cc2CN1CCCC1" . "NCC[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](Cc1ccc(c(c1)F)F)NC(=O)Nc1ccc2c(c1)n(Cc1c(Cl)cccc1Cl)cc2CN1CCCC1" . "SWPAWRHBFNDXEU-BCRBLDSWSA-N" . "InChI=1S/C41H43Cl2F2N7O3/c42-32-9-6-10-33(43)31(32)25-52-24-28(23-51-17-4-5-18-51)30-13-12-29(21-38(30)52)48-41(55)50-37(20-27-11-14-34(44)35(45)19-27)40(54)49-36(15-16-46)39(53)47-22-26-7-2-1-3-8-26/h1-3,6-14,19,21,24,36-37H,4-5,15-18,20,22-23,25,46H2,(H,47,53)(H,49,54)(H2,48,50,55)/t36-,37-/m0/s1" . "O=C(Nc1ccccc1)Nc1cnc2c(c1)CC1(O2)CN2CCC1CC2" . "O=C(Nc1ccccc1)Nc1cnc2c(c1)C[C@]1(O2)CN2CC[C@H]1CC2" . "BUOWEYLLAFLKCW-FQEVSTJZSA-N" . "InChI=1S/C20H22N4O2/c25-19(22-16-4-2-1-3-5-16)23-17-10-14-11-20(26-18(14)21-12-17)13-24-8-6-15(20)7-9-24/h1-5,10,12,15H,6-9,11,13H2,(H2,22,23,25)/t20-/m0/s1" . "COc1cccc(c1)N(C(=O)CNC(=O)Nc1cccc(c1)CCS(=O)(=O)O)CC(=O)N(c1ccccc1)C" . "COc1cccc(c1)N(C(=O)CNC(=O)Nc1cccc(c1)CCS(=O)(=O)O)CC(=O)N(c1ccccc1)C" . "NGZMTMPEGDUWJQ-UHFFFAOYSA-N" . "InChI=1S/C27H30N4O7S/c1-30(22-10-4-3-5-11-22)26(33)19-31(23-12-7-13-24(17-23)38-2)25(32)18-28-27(34)29-21-9-6-8-20(16-21)14-15-39(35,36)37/h3-13,16-17H,14-15,18-19H2,1-2H3,(H2,28,29,34)(H,35,36,37)" . "COc1ccccc1CC(=N)N1CC2C(C1)C(CCC2=O)(c1ccccc1)c1ccccc1" . "COc1ccccc1CC(=N)N1C[C@H]2[C@@H](C1)C(CCC2=O)(c1ccccc1)c1ccccc1" . "VWBOQFANCXZMAU-LOSJGSFVSA-N" . "InChI=1S/C29H30N2O2/c1-33-27-15-9-8-10-21(27)18-28(30)31-19-24-25(20-31)29(17-16-26(24)32,22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,24-25,30H,16-20H2,1H3/t24-,25+/m0/s1" . "CCCN(c1cc(C)nc2n1nc(c2c1cnc(cc1C)N(C)C)C)CCC" . "CCCN(c1cc(C)nc2n1nc(c2c1cnc(cc1C)N(C)C)C)CCC" . "ANNRUWYFVIGKHA-UHFFFAOYSA-N" . "InChI=1S/C22H32N6/c1-8-10-27(11-9-2)20-13-16(4)24-22-21(17(5)25-28(20)22)18-14-23-19(26(6)7)12-15(18)3/h12-14H,8-11H2,1-7H3" . "COc1ccc(cc1)C(=O)C(=C(c1ccc2c(c1)OCO2)C(=O)O)Cc1cc(OCCCC(=O)NCCc2ccc(c(c2)I)O)c(c(c1)OC)OC" . "COc1ccc(cc1)C(=O)/C(=C(/c1ccc2c(c1)OCO2)/C(=O)O)/Cc1cc(OCCCC(=O)NCCc2ccc(c(c2)I)O)c(c(c1)OC)OC" . "LKWYYULZSFFLFK-DKJXEYTPSA-N" . "InChI=1S/C39H38INO11/c1-47-27-10-7-25(8-11-27)37(44)28(36(39(45)46)26-9-13-31-32(21-26)52-22-51-31)17-24-19-33(48-2)38(49-3)34(20-24)50-16-4-5-35(43)41-15-14-23-6-12-30(42)29(40)18-23/h6-13,18-21,42H,4-5,14-17,22H2,1-3H3,(H,41,43)(H,45,46)/b36-28-" . "O=C(Nc1cc(C)nc2c1cccc2)NCCN1CCC(CC1)(O)Cc1ccccc1" . "O=C(Nc1cc(C)nc2c1cccc2)NCCN1CCC(CC1)(O)Cc1ccccc1" . "WYJCYXOCHXWTHG-UHFFFAOYSA-N" . "InChI=1S/C25H30N4O2/c1-19-17-23(21-9-5-6-10-22(21)27-19)28-24(30)26-13-16-29-14-11-25(31,12-15-29)18-20-7-3-2-4-8-20/h2-10,17,31H,11-16,18H2,1H3,(H2,26,27,28,30)" . "O=C(c1ccc(c(c1)O)O)CSc1nc2c([nH]1)cccc2" . "O=C(c1ccc(c(c1)O)O)CSc1nc2c([nH]1)cccc2" . "NVYSVDRYESXWBD-UHFFFAOYSA-N" . "InChI=1S/C15H12N2O3S/c18-12-6-5-9(7-13(12)19)14(20)8-21-15-16-10-3-1-2-4-11(10)17-15/h1-7,18-19H,8H2,(H,16,17)" . "O=C(NCCCc1cnc[nH]1)NCCCN(c1ccc(cn1)Br)Cc1ccc(c(c1)Cl)Cl" . "O=C(NCCCc1cnc[nH]1)NCCCN(c1ccc(cn1)Br)Cc1ccc(c(c1)Cl)Cl" . "QJDXAQZNKZDALD-UHFFFAOYSA-N" . "InChI=1S/C22H25BrCl2N6O/c23-17-5-7-21(29-12-17)31(14-16-4-6-19(24)20(25)11-16)10-2-9-28-22(32)27-8-1-3-18-13-26-15-30-18/h4-7,11-13,15H,1-3,8-10,14H2,(H,26,30)(H2,27,28,32)" . "CCCN(c1nc(C)nc(c1Cl)Nc1c(Cl)cc(cc1Cl)Cl)CC1CC1" . "CCCN(c1nc(C)nc(c1Cl)Nc1c(Cl)cc(cc1Cl)Cl)CC1CC1" . "KNADXBVKFAUMCR-UHFFFAOYSA-N" . "InChI=1S/C18H20Cl4N4/c1-3-6-26(9-11-4-5-11)18-15(22)17(23-10(2)24-18)25-16-13(20)7-12(19)8-14(16)21/h7-8,11H,3-6,9H2,1-2H3,(H,23,24,25)" . "CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(C2(OC(=C(C)C2)C(C(=O)C1(C)OC)C)C)OC1OC(C)CC(C1O)N(C(C)C)C" . "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@]2(OC(=C(C)C2)[C@@H](C(=O)[C@]1(C)OC)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C(C)C)C" . "BELMMAAWNYFCGF-AQBNEDITSA-N" . "InChI=1S/C40H69NO12/c1-16-28-40(12,47-15)33(43)23(6)31-21(4)18-39(11,53-31)35(52-37-30(42)27(17-22(5)48-37)41(13)20(2)3)24(7)32(25(8)36(45)50-28)51-29-19-38(10,46-14)34(44)26(9)49-29/h20,22-30,32,34-35,37,42,44H,16-19H2,1-15H3/t22-,23+,24+,25-,26+,27+,28-,29+,30-,32+,34+,35-,37+,38-,39+,40-/m1/s1" . "COc1ccccc1CN(C(=O)C)CC(Cc1c[nH]c2c1cccc2)NC(=O)CN1CCC(CC1)N1CCCCC1" . "COc1ccccc1CN(C(=O)C)C[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)CN1CCC(CC1)N1CCCCC1" . "CVXJAPZTZWLRBP-MUUNZHRXSA-N" . "InChI=1S/C33H45N5O3/c1-25(39)38(22-26-10-4-7-13-32(26)41-2)23-28(20-27-21-34-31-12-6-5-11-30(27)31)35-33(40)24-36-18-14-29(15-19-36)37-16-8-3-9-17-37/h4-7,10-13,21,28-29,34H,3,8-9,14-20,22-24H2,1-2H3,(H,35,40)/t28-/m1/s1" . "Brc1ccc(cc1)NC(=O)N1NC(=O)C(C1c1ccccc1)c1ccccc1" . "Brc1ccc(cc1)NC(=O)N1NC(=O)[C@H]([C@@H]1c1ccccc1)c1ccccc1" . "LMUQHXHWJWQXSD-PMACEKPBSA-N" . "InChI=1S/C22H18BrN3O2/c23-17-11-13-18(14-12-17)24-22(28)26-20(16-9-5-2-6-10-16)19(21(27)25-26)15-7-3-1-4-8-15/h1-14,19-20H,(H,24,28)(H,25,27)/t19-,20-/m0/s1" . "COC(C(C(=O)O)Oc1nc(OC)cc(n1)OC)(c1ccccc1)c1ccccc1" . "COC([C@@H](C(=O)O)Oc1nc(OC)cc(n1)OC)(c1ccccc1)c1ccccc1" . "FEJVSJIALLTFRP-LJQANCHMSA-N" . "InChI=1S/C22H22N2O6/c1-27-17-14-18(28-2)24-21(23-17)30-19(20(25)26)22(29-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1" . "CCCOc1ccc(cc1c1cc([nH]c1c1ccncc1)c1ccc(cc1)Cl)Br" . "CCCOc1ccc(cc1c1cc([nH]c1c1ccncc1)c1ccc(cc1)Cl)Br" . "HHBOWXZOLYQFNY-UHFFFAOYSA-N" . "InChI=1S/C24H20BrClN2O/c1-2-13-29-23-8-5-18(25)14-20(23)21-15-22(16-3-6-19(26)7-4-16)28-24(21)17-9-11-27-12-10-17/h3-12,14-15,28H,2,13H2,1H3" . "N#Cc1cccc(c1)C=CC(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1" . "N#Cc1cccc(c1)/C=C/C(=O)N(c1ccc2c(c1)N(CC2)C(=O)C)C1CCN(CC1)CCC1CCCC1" . "DSEJCLDJIFTPPH-FMIVXFBMSA-N" . "InChI=1S/C32H38N4O2/c1-24(37)35-20-14-28-10-11-30(22-31(28)35)36(32(38)12-9-26-7-4-8-27(21-26)23-33)29-15-18-34(19-16-29)17-13-25-5-2-3-6-25/h4,7-12,21-22,25,29H,2-3,5-6,13-20H2,1H3/b12-9+" . "O=C(NC1C(=O)N(c2ccccc2)c2c(N(C1=O)CC13CC4CC(C3)CC(C1)C4)cccc2)Nc1ccccc1" . "O=C(N[C@H]1C(=O)N(c2ccccc2)c2c(N(C1=O)CC13CC4CC(C3)CC(C1)C4)cccc2)Nc1ccccc1" . "RZERRLOTRSJIAW-NEPGVILWSA-N" . "InChI=1S/C33H34N4O3/c38-30-29(35-32(40)34-25-9-3-1-4-10-25)31(39)37(26-11-5-2-6-12-26)28-14-8-7-13-27(28)36(30)21-33-18-22-15-23(19-33)17-24(16-22)20-33/h1-14,22-24,29H,15-21H2,(H2,34,35,40)/t22?,23?,24?,29-,33?/m1/s1" . "OCC(CNc1cccc(c1)C1=C(C(=O)NC1=O)c1cn(c2c1cc(F)cc2)C)O" . "OCC(CNc1cccc(c1)C1=C(C(=O)NC1=O)c1cn(c2c1cc(F)cc2)C)O" . "RPGZQOOZHIEPJW-UHFFFAOYSA-N" . "InChI=1S/C22H20FN3O4/c1-26-10-17(16-8-13(23)5-6-18(16)26)20-19(21(29)25-22(20)30)12-3-2-4-14(7-12)24-9-15(28)11-27/h2-8,10,15,24,27-28H,9,11H2,1H3,(H,25,29,30)" . "CN(CCC(c1ccc(cc1)Cl)NC(=O)c1ccc(cc1)c1ccccc1)C" . "CN(CCC(c1ccc(cc1)Cl)NC(=O)c1ccc(cc1)c1ccccc1)C" . "JXJCJZNVWYQHIF-UHFFFAOYSA-N" . "InChI=1S/C24H25ClN2O/c1-27(2)17-16-23(20-12-14-22(25)15-13-20)26-24(28)21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-15,23H,16-17H2,1-2H3,(H,26,28)" . "CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C21CCN(CC2)Cc1ccc2c(c1)OCCO2" . "CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C21CCN(CC2)Cc1ccc2c(c1)OCCO2" . "VBONNDPACFTZMX-UHFFFAOYSA-N" . "InChI=1S/C28H41N3O4/c1-2-3-13-31-26(32)23(18-21-7-5-4-6-8-21)29-27(33)28(31)11-14-30(15-12-28)20-22-9-10-24-25(19-22)35-17-16-34-24/h9-10,19,21,23H,2-8,11-18,20H2,1H3,(H,29,33)" . "COCC(Nc1nc(C)nc2n1nc(c2c1ccc(cc1Cl)Cl)C)COC" . "COCC(Nc1nc(C)nc2n1nc(c2c1ccc(cc1Cl)Cl)C)COC" . "MDWRPTOUDPFXKK-UHFFFAOYSA-N" . "InChI=1S/C18H21Cl2N5O2/c1-10-16(14-6-5-12(19)7-15(14)20)17-21-11(2)22-18(25(17)24-10)23-13(8-26-3)9-27-4/h5-7,13H,8-9H2,1-4H3,(H,21,22,23)" . "CCN(c1ccc(cc1SC)C(C)C)c1nc(cc(n1)C)N1CCC(=CC1)c1cccc(c1)F" . "CCN(c1ccc(cc1SC)C(C)C)c1nc(cc(n1)C)N1CCC(=CC1)c1cccc(c1)F" . "DDSMCPASYQDKFS-UHFFFAOYSA-N" . "InChI=1S/C28H33FN4S/c1-6-33(25-11-10-22(19(2)3)18-26(25)34-5)28-30-20(4)16-27(31-28)32-14-12-21(13-15-32)23-8-7-9-24(29)17-23/h7-12,16-19H,6,13-15H2,1-5H3" . "OC(C(NC(=O)c1cnc2c(n1)cccc2)Cc1cccc(c1)F)CC(C(=O)N)CCC(O)(C)C" . "O[C@H]([C@@H](NC(=O)c1cnc2c(n1)cccc2)Cc1cccc(c1)F)C[C@H](C(=O)N)CCC(O)(C)C" . "YEQJVHQCUDMXFG-FHZYATBESA-N" . "InChI=1S/C26H31FN4O4/c1-26(2,35)11-10-17(24(28)33)14-23(32)21(13-16-6-5-7-18(27)12-16)31-25(34)22-15-29-19-8-3-4-9-20(19)30-22/h3-9,12,15,17,21,23,32,35H,10-11,13-14H2,1-2H3,(H2,28,33)(H,31,34)/t17-,21+,23+/m1/s1" . "CCC(Nc1cc(C)nc(c1C)Oc1c(C)cc(cc1C)C)CC" . "CCC(Nc1cc(C)nc(c1C)Oc1c(C)cc(cc1C)C)CC" . "VIZBSVDBNLAVAW-UHFFFAOYSA-N" . "InChI=1S/C21H30N2O/c1-8-18(9-2)23-19-12-16(6)22-21(17(19)7)24-20-14(4)10-13(3)11-15(20)5/h10-12,18H,8-9H2,1-7H3,(H,22,23)" . "CCCCN(c1nc(C)nc2c1c(C)cn2c1c(C)cc(cc1C)C)CC" . "CCCCN(c1nc(C)nc2c1c(C)cn2c1c(C)cc(cc1C)C)CC" . "FHQYJZCJRZHINA-UHFFFAOYSA-N" . "InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3" . "OCCOc1nc(nc(c1Oc1ccccc1OC)NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccn1" . "OCCOc1nc(nc(c1Oc1ccccc1OC)NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccn1" . "GJPICJJJRGTNOD-UHFFFAOYSA-N" . "InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)" . "CCC(C1CC(CCN1CCCNC(=O)Nc1cccc(c1)C(=O)C)Cc1ccccc1)O" . "CC[C@@H]([C@H]1C[C@H](CCN1CCCNC(=O)Nc1cccc(c1)C(=O)C)Cc1ccccc1)O" . "UEKNCACYTQCRSI-RCXJIHSJSA-N" . "InChI=1S/C27H37N3O3/c1-3-26(32)25-18-22(17-21-9-5-4-6-10-21)13-16-30(25)15-8-14-28-27(33)29-24-12-7-11-23(19-24)20(2)31/h4-7,9-12,19,22,25-26,32H,3,8,13-18H2,1-2H3,(H2,28,29,33)/t22-,25-,26+/m1/s1" . "Fc1ccc(cc1)C1C(OCCN1Cc1[nH][nH]c(=O)n1)OC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C" . "Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1[nH][nH]c(=O)n1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C" . "ATALOFNDEOCMKK-OITMNORJSA-N" . "InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1" . "CCCCN(c1nc(C)nc2c1c(C)c(n2c1c(C)cc(cc1C)C)C)CC" . "CCCCN(c1nc(C)nc2c1c(C)c(n2c1c(C)cc(cc1C)C)C)CC" . "IXPROWGEHNVJOY-UHFFFAOYSA-N" . "InChI=1S/C24H34N4/c1-9-11-12-27(10-2)23-21-18(6)19(7)28(24(21)26-20(8)25-23)22-16(4)13-15(3)14-17(22)5/h13-14H,9-12H2,1-8H3" . "CCCCN(C(=O)CN1CC(C(C1c1ccc(cc1)OC)C(=O)O)c1ccc2c(c1)OCO2)CCCC" . "CCCCN(C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(cc1)OC)C(=O)O)c1ccc2c(c1)OCO2)CCCC" . "MOTJMGVDPWRKOC-QPVYNBJUSA-N" . "InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1" . "O=S1(=O)CCS(=O)(=O)C=C1" . "O=S1(=O)CCS(=O)(=O)C=C1" . "YNEKVCMDWXAQGQ-UHFFFAOYSA-N" . "InChI=1S/C4H6O4S2/c5-9(6)1-2-10(7,8)4-3-9/h1-2H,3-4H2" . "O=C(N1CCC(CC1)N1C(=O)CCc2c1cccc2)Cc1ccc(cc1OCC(F)(F)F)OC1CCN(CC1)S(=O)(=O)C" . "O=C(N1CCC(CC1)N1C(=O)CCc2c1cccc2)Cc1ccc(cc1OCC(F)(F)F)OC1CCN(CC1)[35S](=O)(=O)C" . "WGABGZOBUZZBRA-FFSUGBGASA-N" . "InChI=1S/C30H36F3N3O6S/c1-43(39,40)35-16-12-24(13-17-35)42-25-8-6-22(27(19-25)41-20-30(31,32)33)18-29(38)34-14-10-23(11-15-34)36-26-5-3-2-4-21(26)7-9-28(36)37/h2-6,8,19,23-24H,7,9-18,20H2,1H3/i43+3" . "COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2C(C1=O)(N1CC(CC1C(=O)N(C)C)O)c1ccccc1OC)Cl" . "COc1ccccc1[C@]1(N2C[C@@H](C[C@H]2C(=O)N(C)C)O)c2cc(Cl)ccc2N(C1=O)S(=O)(=O)c1ccc(cc1OC([3H])([3H])[3H])OC([3H])([3H])[3H]" . "NJXZWIIMWNEOGJ-KGKCFUOPSA-N" . "InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1/i3T3,5T3" . "COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2C(C1C(=O)N1CCCC1C(=O)N)(O)c1ccccc1Cl)Cl" . "COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl" . "CEBYCSRFKCEUSW-NAYZPBBASA-N" . "InChI=1S/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34)/t22-,25-,28+/m0/s1" . "CC(=O)NC1(CCN(CC1)CCC(c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1" . "CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1" . "PGKXDIMONUAMFR-AREMUKBSSA-N" . "InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1" . "O=C(N1CCCC(C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1" . "O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1" . "DZOJBGLFWINFBF-UMSFTDKQSA-N" . "InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1" . "O=C(OCC12CCC3(C(C1=CCC1C2(C)CCC2C1(C)CCC(=O)C2(C)C)CC(CC3)(C)C)C(=O)[O-])C=Cc1cc(O)ccc1NC(=O)C=CC(=O)[O-]" . "O=C(OC[C@@]12CC[C@@]3([C@H](C1=CCC1[C@@]2(C)CCC2[C@]1(C)CCC(=O)C2(C)C)CC(CC3)(C)C)C(=O)[O-])/C=C/c1cc(O)ccc1NC(=O)/C=C/C(=O)[O-]" . "NZCHLXQRTYIWRL-VDJOMVRUSA-L" . "InChI=1S/C43H55NO9/c1-38(2)19-20-42(37(51)52)21-22-43(25-53-36(50)14-7-26-23-27(45)8-10-30(26)44-34(47)12-13-35(48)49)28(29(42)24-38)9-11-32-40(5)17-16-33(46)39(3,4)31(40)15-18-41(32,43)6/h7-10,12-14,23,29,31-32,45H,11,15-22,24-25H2,1-6H3,(H,44,47)(H,48,49)(H,51,52)/p-2/b13-12+,14-7+/t29-,31?,32?,40-,41+,42-,43-/m0/s1" . "OC(=O)CC(NC(=O)C(Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccc(cc1)N" . "OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1cc([3H])c(c(c1)[3H])N" . "ADYHBZJCWPIGJS-CXVPADNPSA-N" . "InChI=1S/C33H40N4O5/c1-33(17-24-18-35-28-5-3-2-4-27(24)28,31(40)36-26(16-29(38)39)15-19-6-8-25(34)9-7-19)37-32(41)42-30-22-11-20-10-21(13-22)14-23(30)12-20/h2-9,18,20-23,26,30,35H,10-17,34H2,1H3,(H,36,40)(H,37,41)(H,38,39)/t20?,21?,22?,23?,26-,30?,33+/m0/s1/i8T,9T" . "Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2" . "Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2" . "KDFQABSFVYLGPM-UHFFFAOYSA-N" . "InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)" . "O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2" . "O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2" . "NFHRQQKPEBFUJK-UHFFFAOYSA-N" . "InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)" . "O=C(N(C1CCC2(CC1N1CCCC1)CCCO2)C)Cc1cccc2c1cco2" . "O=C(N([C@H]1CC[C@]2(C[C@@H]1N1CCCC1)CCCO2)C)Cc1cccc2c1cco2" . "JMBYBVLCYODBJQ-HFMPRLQTSA-N" . "InChI=1S/C24H32N2O3/c1-25(23(27)16-18-6-4-7-22-19(18)9-15-28-22)20-8-11-24(10-5-14-29-24)17-21(20)26-12-2-3-13-26/h4,6-7,9,15,20-21H,2-3,5,8,10-14,16-17H2,1H3/t20-,21-,24-/m0/s1" . "O=C(C(NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O" . "O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O" . "KUWBXRGRMQZCSS-HSZRJFAPSA-N" . "InChI=1S/C27H31N5O3/c28-27(29)30-17-7-12-23(25(34)31-18-19-13-15-22(33)16-14-19)32-26(35)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,23-24,33H,7,12,17-18H2,(H,31,34)(H,32,35)(H4,28,29,30)/t23-/m1/s1" . "FCOc1ccc(cc1CNC1CCCNC1c1ccccc1)n1nnnc1C(F)(F)F" . "[18F]COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)n1nnnc1C(F)(F)F" . "KSKJMSAKVZSMMV-LBXDGNDASA-N" . "InChI=1S/C21H22F4N6O/c22-13-32-18-9-8-16(31-20(21(23,24)25)28-29-30-31)11-15(18)12-27-17-7-4-10-26-19(17)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,17,19,26-27H,4,7,10,12-13H2/t17-,19-/m0/s1/i22-1" . "OC(=O)CC(NC(=O)C(Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccc(c(c1)I)N" . "OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccc(c(c1)[125I])N" . "YMNQSYWYYQDKJU-PDZULBFKSA-N" . "InChI=1S/C33H39IN4O5/c1-33(16-23-17-36-28-5-3-2-4-25(23)28,38-32(42)43-30-21-9-19-8-20(11-21)12-22(30)10-19)31(41)37-24(15-29(39)40)13-18-6-7-27(35)26(34)14-18/h2-7,14,17,19-22,24,30,36H,8-13,15-16,35H2,1H3,(H,37,41)(H,38,42)(H,39,40)/t19?,20?,21?,22?,24-,30?,33+/m0/s1/i34-2" . "Ic1ccccc1CNC1C2CCN(C1C(c1ccccc1)c1ccccc1)CC2" . "[125I]c1ccccc1CN[C@@H]1C2CCN([C@@H]1C(c1ccccc1)c1ccccc1)CC2" . "WSLTYZVXORBNLB-BRXFWFLGSA-N" . "InChI=1S/C27H29IN2/c28-24-14-8-7-13-23(24)19-29-26-22-15-17-30(18-16-22)27(26)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,25-27,29H,15-19H2/t26-,27-/m1/s1/i28-2" . "CCn1ccnc1CC1COc2c(O1)cccc2" . "CCn1ccnc1CC1COc2c(O1)cccc2" . "UXABARREKCJULM-UHFFFAOYSA-N" . "InChI=1S/C14H16N2O2/c1-2-16-8-7-15-14(16)9-11-10-17-12-5-3-4-6-13(12)18-11/h3-8,11H,2,9-10H2,1H3" . "Clc1ccc(c(c1NS(=O)(=O)C)C)OCC1=NCCN1" . "Clc1ccc(c(c1NS(=O)(=O)C)C)OCC1=NCCN1" . "FOYWMEJSRSBQGB-UHFFFAOYSA-N" . "InChI=1S/C12H16ClN3O3S/c1-8-10(19-7-11-14-5-6-15-11)4-3-9(13)12(8)16-20(2,17)18/h3-4,16H,5-7H2,1-2H3,(H,14,15)" . "OC(COc1ccc(cc1)O)CNC1(CCCC1)Cc1ccc(cc1)OCP(=O)(c1ccccc1)O" . "O[C@H](COc1ccc(cc1)O)CNC1(CCCC1)Cc1ccc(cc1)OCP(=O)(c1ccccc1)O" . "MKEFUSOCGOBQMJ-DEOSSOPVSA-N" . "InChI=1S/C28H34NO6P/c30-23-10-14-25(15-11-23)34-20-24(31)19-29-28(16-4-5-17-28)18-22-8-12-26(13-9-22)35-21-36(32,33)27-6-2-1-3-7-27/h1-3,6-15,24,29-31H,4-5,16-21H2,(H,32,33)/t24-/m0/s1" . "OC(COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I" . "O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I" . "ZNTDIRUBXSTBGJ-NRFANRHFSA-N" . "InChI=1S/C23H25IN2O5S/c24-18-3-11-23(12-4-18)32(29,30)26-19-5-1-17(2-6-19)13-14-25-15-21(28)16-31-22-9-7-20(27)8-10-22/h1-12,21,25-28H,13-16H2/t21-/m0/s1" . "OC(c1ccc(c(c1)NS(=O)(=O)C)O)CNC(Cc1ccccc1)(C)C" . "OC(c1ccc(c(c1)NS(=O)(=O)C)O)CNC(Cc1ccccc1)(C)C" . "XJBCFFLVLOPYBV-UHFFFAOYSA-N" . "InChI=1S/C19H26N2O4S/c1-19(2,12-14-7-5-4-6-8-14)20-13-18(23)15-9-10-17(22)16(11-15)21-26(3,24)25/h4-11,18,20-23H,12-13H2,1-3H3" . "O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O" . "O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O" . "BPZSYCZIITTYBL-UHFFFAOYSA-N" . "InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)" . "CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)NC(C)C" . "CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)NC(C)C" . "FKNXQNWAXFXVNW-UHFFFAOYSA-N" . "InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)" . "OC(COc1cccc(c1)S(=O)(=O)N)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1" . "O[C@H](COc1cccc(c1)S(=O)(=O)N)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1" . "CVPJSQZQNBKALR-FQEVSTJZSA-N" . "InChI=1S/C23H27N3O6S2/c24-33(28,29)23-8-4-5-21(15-23)32-17-20(27)16-25-14-13-18-9-11-19(12-10-18)26-34(30,31)22-6-2-1-3-7-22/h1-12,15,20,25-27H,13-14,16-17H2,(H2,24,28,29)/t20-/m0/s1" . "CC(Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NCC(c1cccc(c1)Cl)O" . "C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O" . "JEDJMKTVUPSHFW-ABAIWWIYSA-N" . "InChI=1S/C20H20ClNO7/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27)/t11-,15+/m1/s1" . "Oc1ccc(cc1)c1c(nn2c1nc(cc2C(F)(F)F)C(F)(F)F)c1ccccc1" . "Oc1ccc(cc1)c1c(nn2c1nc(cc2C(F)(F)F)C(F)(F)F)c1ccccc1" . "AEZPAUSGTAHLOQ-UHFFFAOYSA-N" . "InChI=1S/C20H11F6N3O/c21-19(22,23)14-10-15(20(24,25)26)29-18(27-14)16(11-6-8-13(30)9-7-11)17(28-29)12-4-2-1-3-5-12/h1-10,30H" . "Ic1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2" . "[125I]c1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2" . "OOEUHRGMLFVKQO-GBVACIEGSA-N" . "InChI=1S/C18H19IN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)/i19-2" . "O=C1C=CC(=c2[nH]n(c(c2C)c2ccc(cc2)OCCN2CCCCC2)c2ccc(cc2)O)C=C1" . "O=C1C=CC(=c2[nH]n(c(c2C)c2ccc(cc2)OCCN2CCCCC2)c2ccc(cc2)O)C=C1" . "PFTIONINVMINHE-UHFFFAOYSA-N" . "InChI=1S/C29H31N3O3/c1-21-28(22-5-11-25(33)12-6-22)30-32(24-9-13-26(34)14-10-24)29(21)23-7-15-27(16-8-23)35-20-19-31-17-3-2-4-18-31/h5-16,30,34H,2-4,17-20H2,1H3" . "O=C1CCC2=C3C=CC4(C(C3CCC2=C1)CCC4(C)O)C" . "O=C1CCC2=C3C=C[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@]4(C)O)C" . "CCCIJQPRIXGQOE-XWSJACJDSA-N" . "InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1" . "O=C1CCC2C(=C1)CC(C1C2CCC2(C1CCC2(C)O)C)C" . "O=C1CC[C@H]2C(=C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C)C" . "PTQMMNYJKCSPET-OMHQDGTGSA-N" . "InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1" . "O=C1CCC2(C(C1)CCC1C2CCC2(C1CCC2O)C)C" . "O=C1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C" . "NVKAWKQGWWIWPM-ABEVXSGRSA-N" . "InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1" . "CCC1CC2C(C1C(=O)CO)(C)CCC1C2CCC2=CC(=O)CCC12" . "CC[C@@H]1C[C@@H]2[C@]([C@H]1C(=O)CO)(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12" . "IJLXLZGJDSJGIQ-BILPMHSYSA-N" . "InChI=1S/C22H32O3/c1-3-13-11-19-18-6-4-14-10-15(24)5-7-16(14)17(18)8-9-22(19,2)21(13)20(25)12-23/h10,13,16-19,21,23H,3-9,11-12H2,1-2H3/t13-,16+,17-,18-,19+,21-,22+/m1/s1" . "CCC1CC2C(C1C(=O)CO)(C)CCC1C2CCC2=CC(=O)CCC12" . "CC[C@@H]1C[C@@H]2[C@]([C@H]1C(=O)CO)(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12" . "IJLXLZGJDSJGIQ-BILPMHSYSA-N" . "InChI=1S/C22H32O3/c1-3-13-11-19-18-6-4-14-10-15(24)5-7-16(14)17(18)8-9-22(19,2)21(13)20(25)12-23/h10,13,16-19,21,23H,3-9,11-12H2,1-2H3/t13-,16+,17-,18-,19+,21-,22+/m1/s1" . "OCC(=O)C1CCC2C1(C=O)CC(O)C1C2CCC2=CC(=O)CCC12C" . "OCC(=O)[C@H]1CC[C@@H]2[C@]1(C=O)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C" . "PQSUYGKTWSAVDQ-ZVIOFETBSA-N" . "InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1" . "CCCC1CC2=CC(=O)CCC2(C2C1C1CCC(C1(CC2)C)(O)CCC(=O)O)C" . "CCC[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@@]([C@]1(CC2)C)(O)CCC(=O)O)C" . "DNHCHRGCTVRAFT-JEHIOXJOSA-N" . "InChI=1S/C25H38O4/c1-4-5-16-14-17-15-18(26)6-10-23(17,2)19-7-11-24(3)20(22(16)19)8-12-25(24,29)13-9-21(27)28/h15-16,19-20,22,29H,4-14H2,1-3H3,(H,27,28)/t16-,19+,20+,22-,23+,24+,25-/m1/s1" . "O=C1CCC2(C(=C1)CCC1C2C(=O)CC2(C1CCC2(O)C(=O)C)C)C" . "O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2C(=O)C[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C" . "PUKLDDOGISCFCP-JSQCKWNTSA-N" . "InChI=1S/C21H28O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-16,18,25H,4-9,11H2,1-3H3/t15-,16-,18+,19-,20-,21-/m0/s1" . "CC#CC1(O)CCC2C1(C)CC(c1ccc(cc1)C(=O)C)C1=C3CCC(=O)C=C3CCC21" . "CC#C[C@]1(O)CC[C@H]2[C@]1(C)C[C@H](c1ccc(cc1)C(=O)C)C1=C3CCC(=O)C=C3CC[C@@H]21" . "OPKMKRUFBKTTRF-VBWGZTFCSA-N" . "InChI=1S/C29H32O3/c1-4-14-29(32)15-13-26-24-11-9-21-16-22(31)10-12-23(21)27(24)25(17-28(26,29)3)20-7-5-19(6-8-20)18(2)30/h5-8,16,24-26,32H,9-13,15,17H2,1-3H3/t24-,25+,26+,28-,29-/m0/s1" . "OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F" . "OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F" . "UREBDLICKHMUKA-CXSFZGCWSA-N" . "InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1" . "CC#CC1(O)CCC2C1(C)CC(O)C1C2C=CC2=CC(=O)C=CC12C" . "CC#C[C@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2C=CC2=CC(=O)C=C[C@]12C" . "IXJKSIRTUSUXQC-ZXYIWLIBSA-N" . "InChI=1S/C22H26O3/c1-4-9-22(25)11-8-17-16-6-5-14-12-15(23)7-10-20(14,2)19(16)18(24)13-21(17,22)3/h5-7,10,12,16-19,24-25H,8,11,13H2,1-3H3/t16-,17-,18-,19+,20-,21-,22-/m0/s1" . "CC#CC1(O)CCC2C1(C)CC(O)C1C2C=C(C2=CC(=O)C=CC12C)C" . "CC#C[C@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2C=C(C2=CC(=O)C=C[C@]12C)C" . "UFZKDKHLKHEFGA-ZFTCBNFESA-N" . "InChI=1S/C23H28O3/c1-5-8-23(26)10-7-17-16-11-14(2)18-12-15(24)6-9-21(18,3)20(16)19(25)13-22(17,23)4/h6,9,11-12,16-17,19-20,25-26H,7,10,13H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-/m0/s1" . "Clc1ccc(cc1C(=O)Nc1ccncc1)[N+](=O)[O-]" . "Clc1ccc(cc1C(=O)Nc1ccncc1)[N+](=O)[O-]" . "FRPJSHKMZHWJBE-UHFFFAOYSA-N" . "InChI=1S/C12H8ClN3O3/c13-11-2-1-9(16(18)19)7-10(11)12(17)15-8-3-5-14-6-4-8/h1-7H,(H,14,15,17)" . "N#CC1=CC2(C)C(C(C1=O)(C)C)CCC1(C2=CC(=O)C2C1(C)CCC1(C2CC(C)(C)CC1)C(=O)OC)C" . "N#CC1=C[C@@]2(C)[C@H](C(C1=O)(C)C)CC[C@@]1(C2=CC(=O)[C@H]2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)OC)C" . "WPTTVJLTNAWYAO-KPOXMGGZSA-N" . "InChI=1S/C32H43NO4/c1-27(2)11-13-32(26(36)37-8)14-12-31(7)24(20(32)17-27)21(34)15-23-29(5)16-19(18-33)25(35)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3/t20-,22-,24-,29-,30+,31+,32-/m0/s1" . "COC(=O)c1sccc1S(=O)(=O)Nc1ccc(cc1OC)Nc1ccccc1" . "COC(=O)c1sccc1S(=O)(=O)Nc1ccc(cc1OC)Nc1ccccc1" . "NDFKBGWLUHKMFY-UHFFFAOYSA-N" . "InChI=1S/C19H18N2O5S2/c1-25-16-12-14(20-13-6-4-3-5-7-13)8-9-15(16)21-28(23,24)17-10-11-27-18(17)19(22)26-2/h3-12,20-21H,1-2H3" . "CCC(=O)NCC(Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1)NC(=CC(=O)c1ccc(cc1)C(F)(F)F)C" . "CCC(=O)NC[C@H](Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1)N/C(=C/C(=O)c1ccc(cc1)C(F)(F)F)/C" . "TYEFSRMOUXWTDN-DYQICHDWSA-N" . "InChI=1S/C35H36F3N3O4/c1-4-33(43)39-22-29(40-23(2)20-32(42)26-12-14-28(15-13-26)35(36,37)38)21-25-10-16-30(17-11-25)44-19-18-31-24(3)45-34(41-31)27-8-6-5-7-9-27/h5-17,20,29,40H,4,18-19,21-22H2,1-3H3,(H,39,43)/b23-20-/t29-/m0/s1" . "Cc1ccc(c(c1)OCCCC(C(=O)O)(C)C)C" . "Cc1ccc(c(c1)OCCCC(C(=O)O)(C)C)C" . "HEMJJKBWTPKOJG-UHFFFAOYSA-N" . "InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)" . "OC(=O)C(Oc1ccc(cc1)C1CC1(Cl)Cl)(C)C" . "OC(=O)C(Oc1ccc(cc1)C1CC1(Cl)Cl)(C)C" . "KPSRODZRAIWAKH-UHFFFAOYSA-N" . "InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)" . "CCC1C(O)C2C3CCC(C3(C)CCC2C2(C1CC(O)CC2)C)C(CCC(=O)O)C" . "CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCC(=O)O)C" . "ZXERDUOLZKYMJM-ZWECCWDJSA-N" . "InChI=1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1" . "CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)C(O)CC(C2)O)C)C" . "CC(CCC[C@@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)C(O)C[C@@H](C2)O)C)C" . "UXFVRWPSABSGRQ-GFHPJIRMSA-N" . "InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)16-25(29)27(19,5)24(21)13-14-26(22,23)4/h9,17-18,20-25,28-29H,6-8,10-16H2,1-5H3/t18-,20+,21-,22+,23-,24-,25?,26+,27-/m0/s1" . "OC(=O)c1ccc(cc1)C1=Nc2cc3c(cc2N(c2c1cccc2)C)C(C)(C)CCC3(C)C" . "OC(=O)c1ccc(cc1)C1=Nc2cc3c(cc2N(c2c1cccc2)C)C(C)(C)CCC3(C)C" . "YZZAIQOVMHVWBS-UHFFFAOYSA-N" . "InChI=1S/C29H30N2O2/c1-28(2)14-15-29(3,4)22-17-25-23(16-21(22)28)30-26(18-10-12-19(13-11-18)27(32)33)20-8-6-7-9-24(20)31(25)5/h6-13,16-17H,14-15H2,1-5H3,(H,32,33)" . "CC(CCCC(C1CCC2C1(C)CCC1C2C(O)C=C2C1(C)CCC(C2)O)C)C" . "CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C(O)C=C2[C@]1(C)CC[C@@H](C2)O)C)C" . "OYXZMSRRJOYLLO-UOQFGJKXSA-N" . "InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24?,25+,26+,27-/m1/s1" . "Oc1ccc(cc1C12CC3CC(C2)CC(C1)C3)c1ccc2c(c1)ccc(c2)C(=O)O" . "Oc1ccc(cc1C12CC3CC(C2)CC(C1)C3)c1ccc2c(c1)ccc(c2)C(=O)O" . "LDGIHZJOIQSHPB-UHFFFAOYSA-N" . "InChI=1S/C27H26O3/c28-25-6-5-22(20-1-2-21-11-23(26(29)30)4-3-19(21)10-20)12-24(25)27-13-16-7-17(14-27)9-18(8-16)15-27/h1-6,10-12,16-18,28H,7-9,13-15H2,(H,29,30)" . "COc1ccc(cc1)CP(=O)(CC(CN(C(c1cccc(c1)C(=O)O)C)C)O)O" . "COc1ccc(cc1)CP(=O)(C[C@H](CN([C@@H](c1cccc(c1)C(=O)O)C)C)O)O" . "AKUSEWDIEMJQBM-BEFAXECRSA-N" . "InChI=1S/C21H28NO6P/c1-15(17-5-4-6-18(11-17)21(24)25)22(2)12-19(23)14-29(26,27)13-16-7-9-20(28-3)10-8-16/h4-11,15,19,23H,12-14H2,1-3H3,(H,24,25)(H,26,27)/t15-,19+/m1/s1" . "NCC(c1ccc(cc1)Cl)CC(=O)O" . "NC[C@@H](c1ccc(cc1)Cl)CC(=O)O" . "KPYSYYIEGFHWSV-QMMMGPOBSA-N" . "InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1" . "CCCCCCCCCCCCCCCCOCC(OC(=O)NC)COP(=O)(OCC[N+](C)(C)C)[O-]" . "CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)NC)COP(=O)(OCC[N+](C)(C)C)[O-]" . "FNFHZBKBDFRYHS-RUZDIDTESA-N" . "InChI=1S/C26H55N2O7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-32-23-25(35-26(29)27-2)24-34-36(30,31)33-22-20-28(3,4)5/h25H,6-24H2,1-5H3,(H-,27,29,30,31)/t25-/m1/s1" . "CCCOc1c(OC)cc(cc1S(=O)(=O)C)C1CCC(O1)c1cc(OC)c(c(c1)OC)OC" . "CCCOc1c(OC)cc(cc1S(=O)(=O)C)[C@@H]1CC[C@H](O1)c1cc(OC)c(c(c1)OC)OC" . "NZWPFJNQOZFEDT-ROUUACIJSA-N" . "InChI=1S/C24H32O8S/c1-7-10-31-24-21(29-4)13-16(14-22(24)33(6,25)26)18-9-8-17(32-18)15-11-19(27-2)23(30-5)20(12-15)28-3/h11-14,17-18H,7-10H2,1-6H3/t17-,18-/m0/s1" . "O=C(C1SCCN1S(=O)(=O)c1ccc(cc1)c1ccccc1)NC(c1ccccn1)c1ccccc1" . "O=C([C@@H]1SCCN1S(=O)(=O)c1ccc(cc1)c1ccccc1)N[C@@H](c1ccccn1)c1ccccc1" . "LSSZZFZFFKZTCL-IAPPQJPRSA-N" . "InChI=1S/C28H25N3O3S2/c32-27(30-26(23-11-5-2-6-12-23)25-13-7-8-18-29-25)28-31(19-20-35-28)36(33,34)24-16-14-22(15-17-24)21-9-3-1-4-10-21/h1-18,26,28H,19-20H2,(H,30,32)/t26-,28+/m1/s1" . "OC1CC(OC1COP(=S)(OP(=O)(OP(=O)(O)O)O)O)n1cnc2c1ncnc2N" . "O[C@H]1C[C@@H](O[C@@H]1COP(=[35S])(OP(=O)(OP(=O)(O)O)O)O)n1cnc2c1ncnc2N" . "CCPIKNHZOWQALM-XSYPLGNFSA-N" . "InChI=1S/C10H16N5O11P3S/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(24-7)2-23-29(22,30)26-28(20,21)25-27(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,30)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+,29?/m0/s1/i30+3" . "OP(=O)(C(P(=O)(O)O)NC1CCCCC1)O" . "OP(=O)(C(P(=O)(O)O)NC1CCCCC1)O" . "GBBBPWVJGMFZGX-UHFFFAOYSA-N" . "InChI=1S/C7H17NO6P2/c9-15(10,11)7(16(12,13)14)8-6-4-2-1-3-5-6/h6-8H,1-5H2,(H2,9,10,11)(H2,12,13,14)" . "OCC(C(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)Cc1ccccc1)CCC(=O)N)Cc1ccccc1)C)Cc1ccccc1 " . "C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)O" . "QLVGSBXIQFERFK-NBBYSTNSSA-N" . "InChI=1S/C54H66N10O13/c1-32(47(69)60-41(28-34-14-7-3-8-15-34)51(73)63-43(31-65)54(76)77)58-50(72)40(27-33-12-5-2-6-13-33)61-49(71)39(23-24-45(56)67)59-46(68)30-57-52(74)44-18-11-25-64(44)53(75)42(29-35-16-9-4-10-17-35)62-48(70)38(55)26-36-19-21-37(66)22-20-36/h2-10,12-17,19-22,32,38-44,65-66H,11,18,23-31,55H2,1H3,(H2,56,67)(H,57,74)(H,58,72)(H,59,68)(H,60,69)(H,61,71)(H,62,70)(H,63,73)(H,76,77)/t32-,38-,39-,40-,41-,42-,43-,44-/m0/s1" . "OC(=O)C(C12CC(C1)(C2)C(=O)O)N" . "OC(=O)[C@H](C12CC(C1)(C2)C(=O)O)N" . "KNSHLWJBSDBBRH-XOJFDHPMSA-N" . "InChI=1S/C8H11NO4/c9-4(5(10)11)7-1-8(2-7,3-7)6(12)13/h4H,1-3,9H2,(H,10,11)(H,12,13)/t4-,7?,8?/m1/s1" . "CC(C(C(=O)Nc1ncc(s1)F)c1ccc(cc1)Cl)C" . "CC([C@H](C(=O)Nc1ncc(s1)F)c1ccc(cc1)Cl)C" . "VMELOMANPNYLFR-LBPRGKRZSA-N" . "InChI=1S/C14H14ClFN2OS/c1-8(2)12(9-3-5-10(15)6-4-9)13(19)18-14-17-7-11(16)20-14/h3-8,12H,1-2H3,(H,17,18,19)/t12-/m0/s1" . "OC(=O)C(C12CC(C1)(C2)c1n[nH]nn1)N" . "OC(=O)[C@H](C12CC(C1)(C2)c1n[nH]nn1)N" . "XYCORZCGVTXZFU-XOJFDHPMSA-N" . "InChI=1S/C8H11N5O2/c9-4(5(14)15)7-1-8(2-7,3-7)6-10-12-13-11-6/h4H,1-3,9H2,(H,14,15)(H,10,11,12,13)/t4-,7?,8?/m1/s1" . "COC1CCC(CC1)C(=O)c1ccc2c(c1)cc(c(n2)C)CC" . "COC1CCC(CC1)C(=O)c1ccc2c(c1)cc(c(n2)[11CH3])CC" . "VEURHZYLLRSEGL-JVVVGQRLSA-N" . "InChI=1S/C20H25NO2/c1-4-14-11-17-12-16(7-10-19(17)21-13(14)2)20(22)15-5-8-18(23-3)9-6-15/h7,10-12,15,18H,4-6,8-9H2,1-3H3/i2-1" . "OC(=O)CCCC=CCC1C(O)CC(C1C=CC(COc1cccc(c1)C(F)(F)F)O)O" . "OC(=O)CCC/C=C/C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O" . "WWSWYXNVCBLWNZ-QIZQQNKQSA-N" . "InChI=1S/C23H29F3O6/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h1,3,5-7,10-12,16,18-21,27-29H,2,4,8-9,13-14H2,(H,30,31)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1" . "CCCCCC=CCC=CCC=CC=CC(=O)CCCC(=O)O" . "CCCCC/C=C/C/C=C/C/C=C/C=C/C(=O)CCCC(=O)O" . "MEASLHGILYBXFO-XTDASVJISA-N" . "InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+" . "COc1ccc(cc1)C=CCCCCOc1ccc(cc1CCC(=O)O)C(=O)c1cccc(c1)C(=O)O" . "COc1ccc(cc1)/C=C/CCCCOc1ccc(cc1CCC(=O)O)C(=O)c1cccc(c1)C(=O)O" . "SYZSSLLFRVDRHL-QPJJXVBHSA-N" . "InChI=1S/C30H30O7/c1-36-26-14-10-21(11-15-26)7-4-2-3-5-18-37-27-16-12-24(19-22(27)13-17-28(31)32)29(33)23-8-6-9-25(20-23)30(34)35/h4,6-12,14-16,19-20H,2-3,5,13,17-18H2,1H3,(H,31,32)(H,34,35)/b7-4+" . "COc1cc(ccc1Cn1ncc2c1cc(cc2)NC(=O)OC1CCCC1)C(=O)NS(=O)(=O)c1ccccc1" . "COc1cc(ccc1Cn1ncc2c1cc(cc2)NC(=O)OC1CCCC1)C(=O)NS(=O)(=O)c1ccccc1" . "YRCPIXCRSAKRGM-UHFFFAOYSA-N" . "InChI=1S/C28H28N4O6S/c1-37-26-15-19(27(33)31-39(35,36)24-9-3-2-4-10-24)11-12-21(26)18-32-25-16-22(14-13-20(25)17-29-32)30-28(34)38-23-7-5-6-8-23/h2-4,9-17,23H,5-8,18H2,1H3,(H,30,34)(H,31,33)" . "CCCCCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O" . "CCCCC/C=C/C[C@H](/C=C/C=C/C=C/[C@H](CCCC(=O)O)O)O" . "VNYSSYRCGWBHLG-GEWAPNICSA-N" . "InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7-,9-6-,14-10+,15-11+/t18-,19-/m1/s1" . "CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)N" . "CCCCC/C=C/C/C=C/C=C/C=C/[C@H]([C@H](CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)N" . "YEESKJGWJFYOOK-LDDGIIIKSA-N" . "InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20?,21-,22+/m0/s1" . "CCCCCC(C=C[CH2]=[CH2]C=CC=CC(C(CCCC(=O)O)O)O)O" . "CCCCC[C@@H](/C=C/[CH](=[CH](/C=C/C=C/[C@H]([C@H](CCCC(=O)O)O)O)[3H])[3H])O" . "BIAXEQCLMUBCBP-BASHJZMHSA-N" . "InChI=1S/C20H34O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h5,7,9-10,13-14,17-19,21-23H,2-4,6,8,11-12,15-16H2,1H3,(H,24,25)/b7-5+,13-9+,14-10+/t17-,18+,19-/m0/s1/i4T,6T" . "OC1C(COP(=O)(OP(=S)(O)O)O)OC(C1O)n1cnc2c1ncnc2N" . "O[C@@H]1[C@@H](COP(=O)(OP(=[35S])(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N" . "HCIKUKNAJRJFOW-JWNXZZODSA-N" . "InChI=1S/C10H15N5O9P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(23-10)1-22-25(18,19)24-26(20,21)27/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H2,20,21,27)/t4-,6-,7-,10-/m1/s1/i27+3" . "OC1C(COP(=S)(OP(=O)(OP(=O)(O)O)O)O)OC(C1O)n1cnc2c1ncnc2N" . "OC1C(COP(=[35S])(OP(=O)(OP(=O)(O)O)O)O)OC(C1O)n1cnc2c1ncnc2N" . "ROYJKVPBJVNHCQ-KUIAXLJASA-N" . "InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-30(23,31)27-29(21,22)26-28(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,31)(H2,11,12,13)(H2,18,19,20)/i31+3" . "CCCCCC=CCC(C=CC=CCC=CCCCC(=O)O)O" . "CCCCC/C=C/C[C@H](/C=C/C=C/C/C=C/CCCC(=O)O)O" . "ZNHVWPKMFKADKW-ZYBDYUKJSA-N" . "InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+/t19-/m1/s1" . "CCCCCC=CCC(C=CC=CCC=CCCCC(=O)O)O" . "CCCCC/C=C/C[C@@H](/C=C/C=C/C/C=C/CCCC(=O)O)O" . "ZNHVWPKMFKADKW-LQWMCKPYSA-N" . "InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1" . "CCCCCCC=CC=CC=CC=CC(C(CCCC(=O)O)O)O" . "CCCCCC/C=C/C=C/C=C/C=C/[C@H]([C@H](CCCC(=O)O)O)O" . "SJIRTDBAYKOBAL-COJKCNNISA-N" . "InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(21)19(22)16-14-17-20(23)24/h7-13,15,18-19,21-22H,2-6,14,16-17H2,1H3,(H,23,24)/b8-7+,10-9+,12-11+,15-13+/t18-,19+/m1/s1" . "CCCCCC(C=CC=CCC=CCC=CCCCC(=O)O)O" . "CCCCC[C@@H](/C=C/C=C/C/C=C/C/C=C/CCCC(=O)O)O" . "JSFATNQSLKRBCI-VAEKSGALSA-N" . "InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1" . "CCC(C=CC=CCC=CCC=CCC=CCCCC(=O)O)O" . "CC[C@H](/C=C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O)O" . "LRWYBGFSVUBWMO-UAAZXLHOSA-N" . "InChI=1S/C20H30O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,15,17,19,21H,2-3,8-9,14,16,18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-,17-15+/t19-/m1/s1" . "OCCCCCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O" . "OCCCCC/C=C/C[C@H](/C=C/C=C/C=C/[C@H](CCCC(=O)O)O)O" . "PTJFJXLGRSTECQ-PSPARDEHSA-N" . "InChI=1S/C20H32O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,18-19,21-23H,1-2,6,10-12,15-17H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1" . "OC1C(COP(=O)(OP(=O)(OP(=O)(O)O)O)O)OC(C1O)n1ccc(=O)[nH]c1=S" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=S" . "KHYOUGAATNYCAZ-XVFCMESISA-N" . "InChI=1S/C9H15N2O14P3S/c12-5-1-2-11(9(29)10-5)8-7(14)6(13)4(23-8)3-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,4,6-8,13-14H,3H2,(H,18,19)(H,20,21)(H,10,12,29)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1" . "CCCOC(=O)c1[nH]c(c(c1C)C(=O)OC(C(C)(C)C)C)C" . "CCCOC(=O)c1[nH]c(c(c1C)C(=O)OC(C(C)(C)C)C)C" . "DOYZAIRDDZPMQZ-UHFFFAOYSA-N" . "InChI=1S/C17H27NO4/c1-8-9-21-16(20)14-10(2)13(11(3)18-14)15(19)22-12(4)17(5,6)7/h12,18H,8-9H2,1-7H3" . "OC(=O)c1cc(c(s1)C(C(=O)O)N)C" . "OC(=O)c1cc(c(s1)C(C(=O)O)N)C" . "KOMWRBFEDDEWEP-UHFFFAOYSA-N" . "InChI=1S/C8H9NO4S/c1-3-2-4(7(10)11)14-6(3)5(9)8(12)13/h2,5H,9H2,1H3,(H,10,11)(H,12,13)" . "COC(=O)Nc1ccc2c(c1)c(CCNC(=O)C)c[nH]2" . "COC(=O)Nc1ccc2c(c1)c(CCNC(=O)C)c[nH]2" . "MPZVHKLZCUEJFO-UHFFFAOYSA-N" . "InChI=1S/C14H17N3O3/c1-9(18)15-6-5-10-8-16-13-4-3-11(7-12(10)13)17-14(19)20-2/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,18)(H,17,19)" . "CCCCCCCCC=CCC=CC=CC(=O)CCCC(=O)O" . "CCCCCCCC/C=C/C/C=C/C=C/C(=O)CCCC(=O)O" . "ULMVEQWNDGUUBR-IEQFDQMRSA-N" . "InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h9-10,12-14,16H,2-8,11,15,17-18H2,1H3,(H,22,23)/b10-9-,13-12-,16-14-" . "CCCCCC=CCC=CCC=CC=CC(=O)CCCC(=O)O" . "CCCCC/C=C/C/C=C/C/C=C/C=C/C(=O)CCCC(=O)O" . "MEASLHGILYBXFO-XTDASVJISA-N" . "InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+" . "CCCCCC=CCC=CCC=CC=CC(CCCC(=O)O)O" . "CCCCC/C=C/C/C=C/C/C=C/C=C/[C@H](CCCC(=O)O)O" . "KGIJOOYOSFUGPC-JGKLHWIESA-N" . "InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16,19,21H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1" . "O=C(c1nc(Cl)c(nc1N)N(C)C)Nc1cccnc1" . "O=C(c1nc(Cl)c(nc1N)N(C)C)Nc1cccnc1" . "RNGRUHWJJPTYNR-UHFFFAOYSA-N" . "InChI=1S/C12H13ClN6O/c1-19(2)11-9(13)17-8(10(14)18-11)12(20)16-7-4-3-5-15-6-7/h3-6H,1-2H3,(H2,14,18)(H,16,20)" . "CCCCCC(C=CC1C2OC(=O)OC(C1CC=CCCCCO)C2)O" . "CCCCC[C@@H](/C=C/[C@H]1[C@H]2OC(=O)O[C@H]([C@@H]1C/C=C/CCCCO)C2)O" . "PTIUXNGGNGQHQK-KTEVXADTSA-N" . "InChI=1S/C21H34O5/c1-2-3-7-10-16(23)12-13-18-17(11-8-5-4-6-9-14-22)19-15-20(18)26-21(24)25-19/h5,8,12-13,16-20,22-23H,2-4,6-7,9-11,14-15H2,1H3/b8-5-,13-12+/t16-,17+,18+,19-,20-/m0/s1" . "OC(=O)CCC=CCCC1C(C=CC(COc2cccc(c2)Cl)O)OCC1O" . "OC(=O)CC/C=C/CC[C@@H]1[C@@H](/C=C/[C@H](COc2cccc(c2)Cl)O)OC[C@@H]1O" . "GLYAVTUPQOQHAD-MOBTWWNESA-N" . "InChI=1S/C21H27ClO6/c22-15-6-5-7-17(12-15)27-13-16(23)10-11-20-18(19(24)14-28-20)8-3-1-2-4-9-21(25)26/h1-2,5-7,10-12,16,18-20,23-24H,3-4,8-9,13-14H2,(H,25,26)/b2-1-,11-10+/t16-,18+,19+,20-/m1/s1" . "COc1ccc2c(c1)c1C(CCCc1n2C)CNC(=O)C" . "COc1ccc2c(c1)c1C(CCCc1n2C)CNC(=O)C" . "CYOQJCSHEFAKNY-UHFFFAOYSA-N" . "InChI=1S/C17H22N2O2/c1-11(20)18-10-12-5-4-6-16-17(12)14-9-13(21-3)7-8-15(14)19(16)2/h7-9,12H,4-6,10H2,1-3H3,(H,18,20)" . "CCCSc1nc(N)c2c(n1)n(cn2)C1OC(C(C1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(F)F)O)O" . "CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(F)F)O)O" . "ZQXUQOHLHUWLSA-WOUKDFQISA-N" . "InChI=1S/C14H22F2N5O12P3S/c1-2-3-37-13-19-10(17)7-11(20-13)21(5-18-7)12-9(23)8(22)6(32-12)4-31-36(29,30)33-35(27,28)14(15,16)34(24,25)26/h5-6,8-9,12,22-23H,2-4H2,1H3,(H,27,28)(H,29,30)(H2,17,19,20)(H2,24,25,26)/t6-,8-,9-,12-/m1/s1" . "OC(=O)CCCC(C(C=CC=CC=CC=CC(COc1ccc(cc1)F)C)O)O" . "OC(=O)CCC[C@@H]([C@@H](/C=C/C=C/C=C/C=C/[C@@H](COc1ccc(cc1)F)C)O)O" . "SGFIFYSIHRWSCE-LLXPRBAESA-N" . "InChI=1S/C23H29FO5/c1-18(17-29-20-15-13-19(24)14-16-20)9-6-4-2-3-5-7-10-21(25)22(26)11-8-12-23(27)28/h2-7,9-10,13-16,18,21-22,25-26H,8,11-12,17H2,1H3,(H,27,28)/b4-2-,5-3+,9-6+,10-7+/t18-,21+,22-/m0/s1" . "CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)Sc1ccc(cc1)C(=O)O" . "CCCCC/C=C/C/C=C/C=C/C=C/[C@H]([C@H](CCCC(=O)O)O)Sc1ccc(cc1)C(=O)O" . "PKJINWOACFYDQN-RBVMPENBSA-N" . "InChI=1S/C27H36O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(28)15-14-17-26(29)30)33-23-20-18-22(19-21-23)27(31)32/h6-7,9-13,16,18-21,24-25,28H,2-5,8,14-15,17H2,1H3,(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t24-,25+/m0/s1" . "COc1ccc(nc1)c1ccc(cc1)OCC1CC(OC1C)C(=O)NS(=O)(=O)c1ccccc1C" . "COc1ccc(nc1)c1ccc(cc1)OCC1CC(OC1C)C(=O)NS(=O)(=O)c1ccccc1C" . "BGXAOTTWXYPIQN-UHFFFAOYSA-N" . "InChI=1S/C26H28N2O6S/c1-17-6-4-5-7-25(17)35(30,31)28-26(29)24-14-20(18(2)34-24)16-33-21-10-8-19(9-11-21)23-13-12-22(32-3)15-27-23/h4-13,15,18,20,24H,14,16H2,1-3H3,(H,28,29)" . "CCCC1(CCC1)C(CC=CC1C(O)CC(=O)C1CCCCCCC(=O)OC)O" . "CCCC1(CCC1)[C@@H](C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)O" . "XRISENIKJUKIHD-LHQZMKCDSA-N" . "InChI=1S/C24H40O5/c1-3-14-24(15-9-16-24)22(27)12-8-11-19-18(20(25)17-21(19)26)10-6-4-5-7-13-23(28)29-2/h8,11,18-19,21-22,26-27H,3-7,9-10,12-17H2,1-2H3/b11-8+/t18-,19-,21-,22-/m1/s1" . "CCCCCCCCCCCCCCCCCC(=O)O" . "CCCCCCCCCCCCCCCCCC(=O)O" . "QIQXTHQIDYTFRH-UHFFFAOYSA-N" . "InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)" . "N#Cc1ccc(cc1)c1cccc(c1)N(S(=O)(=O)CC)Cc1cccnc1" . "N#Cc1ccc(cc1)c1cccc(c1)N(S(=O)(=O)CC)Cc1cccnc1" . "HDVYXILCBYGKGU-UHFFFAOYSA-N" . "InChI=1S/C21H19N3O2S/c1-2-27(25,26)24(16-18-5-4-12-23-15-18)21-7-3-6-20(13-21)19-10-8-17(14-22)9-11-19/h3-13,15H,2,16H2,1H3" . "OC(=O)C1(CCCC1)c1ccc2c(c1)OCC(C2O)Cc1ccc(cc1)c1ccccc1" . "OC(=O)C1(CCCC1)c1ccc2c(c1)OC[C@@H]([C@H]2O)Cc1ccc(cc1)c1ccccc1" . "KMNLXCBYBKHKSK-BKMJKUGQSA-N" . "InChI=1S/C28H28O4/c29-26-22(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)18-32-25-17-23(12-13-24(25)26)28(27(30)31)14-4-5-15-28/h1-3,6-13,17,22,26,29H,4-5,14-16,18H2,(H,30,31)/t22-,26+/m0/s1" . "O=C1NC(=O)C(S1)Cc1ccc(cc1C)Oc1ncc(cc1Cl)C(F)(F)F" . "O=C1NC(=O)C(S1)Cc1ccc(cc1C)Oc1ncc(cc1Cl)C(F)(F)F" . "ZAMASFSDWVSMSY-UHFFFAOYSA-N" . "InChI=1S/C17H12ClF3N2O3S/c1-8-4-11(3-2-9(8)5-13-14(24)23-16(25)27-13)26-15-12(18)6-10(7-22-15)17(19,20)21/h2-4,6-7,13H,5H2,1H3,(H,23,24,25)" . "CCCCC(=O)NCCc1c(Cc2ccccc2)[nH]c2c1cccc2" . "CCCCC(=O)NCCc1c(Cc2ccccc2)[nH]c2c1cccc2" . "HDOIPCLEKCEANF-UHFFFAOYSA-N" . "InChI=1S/C22H26N2O/c1-2-3-13-22(25)23-15-14-19-18-11-7-8-12-20(18)24-21(19)16-17-9-5-4-6-10-17/h4-12,24H,2-3,13-16H2,1H3,(H,23,25)" . "CCn1c(C)nc(c(c1=O)C#N)N1CCc2c(CC1)cccc2" . "CCn1c(C)nc(c(c1=O)C#N)N1CCc2c(CC1)cccc2" . "QNUVWRAGDSGAKX-UHFFFAOYSA-N" . "InChI=1S/C18H20N4O/c1-3-22-13(2)20-17(16(12-19)18(22)23)21-10-8-14-6-4-5-7-15(14)9-11-21/h4-7H,3,8-11H2,1-2H3" . "CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O" . "CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O" . "JAZBEHYOTPTENJ-JLNKQSITSA-N" . "InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-" . "Clc1ccc(c(c1)C1=C(CCC1)c1cccc(n1)C(=O)O)OCc1ccc(cc1F)F" . "Clc1ccc(c(c1)C1=C(CCC1)c1cccc(n1)C(=O)O)OCc1ccc(cc1F)F" . "PFODPHDNBFSMOX-UHFFFAOYSA-N" . "InChI=1S/C24H18ClF2NO3/c25-15-8-10-23(31-13-14-7-9-16(26)12-20(14)27)19(11-15)17-3-1-4-18(17)21-5-2-6-22(28-21)24(29)30/h2,5-12H,1,3-4,13H2,(H,29,30)" . "OC(=O)C(CCc1c(C)o[nH]c1=O)N" . "OC(=O)C(CCc1c(C)o[nH]c1=O)N" . "NZDIZJGEDFARSV-UHFFFAOYSA-N" . "InChI=1S/C8H12N2O4/c1-4-5(7(11)10-14-4)2-3-6(9)8(12)13/h6H,2-3,9H2,1H3,(H,10,11)(H,12,13)" . "c1ccc(cc1)c1ncc([nH]1)CN1CCN(CC1)c1ncccn1" . "c1ccc(cc1)c1ncc([nH]1)CN1CCN(CC1)c1ncccn1" . "OTVQCHUIPJYASM-UHFFFAOYSA-N" . "InChI=1S/C18H20N6/c1-2-5-15(6-3-1)17-21-13-16(22-17)14-23-9-11-24(12-10-23)18-19-7-4-8-20-18/h1-8,13H,9-12,14H2,(H,21,22)" . "Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1" . "Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1" . "AAOVKJBEBIDNHE-UHFFFAOYSA-N" . "InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3" . "CCCOc1ccc2c(n1)c(c[nH]2)C1=CCNCC1" . "CCCOc1ccc2c(n1)c(c[nH]2)C1=CCNCC1" . "KWQWBZIGHIOKIO-UHFFFAOYSA-N" . "InChI=1S/C15H19N3O/c1-2-9-19-14-4-3-13-15(18-14)12(10-17-13)11-5-7-16-8-6-11/h3-5,10,16-17H,2,6-9H2,1H3" . "COc1cc(ccc1Cn1ncc2c1cc(cc2)NC(=O)OC1CCCC1)C(=O)NS(=O)(=O)c1ccccc1" . "COc1cc(ccc1Cn1ncc2c1cc(cc2)NC(=O)OC1CCCC1)C(=O)NS(=O)(=O)c1ccccc1" . "YRCPIXCRSAKRGM-UHFFFAOYSA-N" . "InChI=1S/C28H28N4O6S/c1-37-26-15-19(27(33)31-39(35,36)24-9-3-2-4-10-24)11-12-21(26)18-32-25-16-22(14-13-20(25)17-29-32)30-28(34)38-23-7-5-6-8-23/h2-4,9-17,23H,5-8,18H2,1H3,(H,30,34)(H,31,33)" . "O=C1CCC(N1CCCCCCc1nnn[nH]1)C=CC(C(c1ccccc1)(F)F)O" . "O=C1CC[C@@H](N1CCCCCCc1nnn[nH]1)/C=C/[C@H](C(c1ccccc1)(F)F)O" . "WPTLQOYLIXWRNN-SLKVGHROSA-N" . "InChI=1S/C21H27F2N5O2/c22-21(23,16-8-4-3-5-9-16)18(29)13-11-17-12-14-20(30)28(17)15-7-2-1-6-10-19-24-26-27-25-19/h3-5,8-9,11,13,17-18,29H,1-2,6-7,10,12,14-15H2,(H,24,25,26,27)/b13-11+/t17-,18+/m0/s1" . "OC(=O)CC1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F" . "OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F" . "NXFFJDQHYLNEJK-CYBMUJFWSA-N" . "InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m1/s1" . "CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N" . "CCCCC/C=C/C/C=C/C=C/C=C/[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N" . "GWNVDXQDILPJIG-NXOLIXFESA-N" . "InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1" . "CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)N" . "CCCCC/C=C/C/C=C/C=C/C=C/[C@H]([C@H](CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)N" . "YEESKJGWJFYOOK-LDDGIIIKSA-N" . "InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20?,21-,22+/m0/s1" . "CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)O)N" . "CCCCC/C=C/C/C=C/C=C/C=C/[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)O)N" . "OTZRAYGBFWZKMX-FRFVZSDQSA-N" . "InChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1" . "CCc1c(OCCCCCC(c2nnn[nH]2)(C)C)cc(cc1C(=O)C)O" . "CCc1c(OCCCCCC(c2nnn[nH]2)(C)C)cc(cc1C(=O)C)O" . "VSDBVKWYFGKZPY-UHFFFAOYSA-N" . "InChI=1S/C19H28N4O3/c1-5-15-16(13(2)24)11-14(25)12-17(15)26-10-8-6-7-9-19(3,4)18-20-22-23-21-18/h11-12,25H,5-10H2,1-4H3,(H,20,21,22,23)" . "NC(C(=O)O)CC(C(=O)O)CCCC(c1ccccc1)c1ccccc1" . "N[C@H](C(=O)O)C[C@@H](C(=O)O)CCCC(c1ccccc1)c1ccccc1" . "DWLOVDOPFJPWNE-HKUYNNGSSA-N" . "InChI=1S/C21H25NO4/c22-19(21(25)26)14-17(20(23)24)12-7-13-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17-19H,7,12-14,22H2,(H,23,24)(H,25,26)/t17-,19-/m0/s1" . "OC(=O)C1C2C1C(CS2)(N)C(=O)O" . "OC(=O)[C@H]1C2C1[C@](CS2)(N)C(=O)O" . "QBHIOYZCUZBIEN-RSWQVWFLSA-N" . "InChI=1S/C7H9NO4S/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3?,4?,7+/m1/s1" . "OCCSc1nc(NC2Cc3c(C2)cccc3)c2c(n1)CCCC2" . "OCCSc1nc(NC2Cc3c(C2)cccc3)c2c(n1)CCCC2" . "VZJHTQZXSTXJNO-UHFFFAOYSA-N" . "InChI=1S/C19H23N3OS/c23-9-10-24-19-21-17-8-4-3-7-16(17)18(22-19)20-15-11-13-5-1-2-6-14(13)12-15/h1-2,5-6,15,23H,3-4,7-12H2,(H,20,21,22)" . "COc1ccc(cc1)Nc1ncnc2c1cc(OC)cc2" . "COc1ccc(cc1)Nc1ncnc2c1cc(OC)cc2" . "XPJOMFBGKIABQW-UHFFFAOYSA-N" . "InChI=1S/C16H15N3O2/c1-20-12-5-3-11(4-6-12)19-16-14-9-13(21-2)7-8-15(14)17-10-18-16/h3-10H,1-2H3,(H,17,18,19)" . "COCc1cncc(c1)C#Cc1csc(n1)C" . "COCc1cncc(c1)C#Cc1csc(n1)C" . "AWDRAHDWMICWJM-UHFFFAOYSA-N" . "InChI=1S/C13H12N2OS/c1-10-15-13(9-17-10)4-3-11-5-12(8-16-2)7-14-6-11/h5-7,9H,8H2,1-2H3" . "COc1cccc(c1)C#Cc1cccc(n1)C" . "COc1cccc(c1)C#Cc1cccc(n1)C" . "STDHINPODVHROK-UHFFFAOYSA-N" . "InChI=1S/C15H13NO/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-2/h3-8,11H,1-2H3" . "COc1ccc(cc1)c1cc2onc(c2c(=O)n1C)c1ccncc1" . "COc1ccc(cc1)c1cc2onc(c2c(=O)n1C)c1ccncc1" . "PDWYBOZNEVALOV-UHFFFAOYSA-N" . "InChI=1S/C19H15N3O3/c1-22-15(12-3-5-14(24-2)6-4-12)11-16-17(19(22)23)18(21-25-16)13-7-9-20-10-8-13/h3-11H,1-2H3" . "OC(=O)CC1(CSC(c2cccc(c2)C=Cc2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1" . "OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1" . "UCHDWCPVSPXUMX-TZIWLTJVSA-N" . "InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1" . "Brc1cc2OCOc2cc1C1Nc2ccccc2C2C1CC=C2" . "Brc1cc2OCOc2cc1[C@@H]1Nc2ccccc2[C@H]2[C@@H]1CC=C2" . "YOLTZIVRJAPVPH-MJLGCCKJSA-N" . "InChI=1S/C19H16BrNO2/c20-15-9-18-17(22-10-23-18)8-14(15)19-13-6-3-5-11(13)12-4-1-2-7-16(12)21-19/h1-5,7-9,11,13,19,21H,6,10H2/t11-,13-,19+/m0/s1" . "CSc1nc(N)c2c(n1)n(cn2)C1C(O)C(C2(C1C2)COP(=O)(OP(=O)(O[Na])O[Na])O[Na])O" . "CSc1nc(N)c2c(n1)n(cn2)C1[C@H](O)[C@@H]([C@]2([C@@H]1C2)COP(=O)(OP(=O)(O[Na])O[Na])O[Na])O" . "ZYPJOXVKTCEBCA-PVMCGCOJSA-K" . "InChI=1S/C13H19N5O9P2S.3Na/c1-30-12-16-10(14)6-11(17-12)18(4-15-6)7-5-2-13(5,9(20)8(7)19)3-26-29(24,25)27-28(21,22)23;;;/h4-5,7-9,19-20H,2-3H2,1H3,(H,24,25)(H2,14,16,17)(H2,21,22,23);;;/q;3*+1/p-3/t5-,7?,8+,9+,13+;;;/m1.../s1" . "OCC1OC(OP(=O)(OP(=O)(OCC2OC(C(C2O)O)n2ccc(=O)[nH]c2=S)O[Na])O[Na])C(C(C1O)O)O" . "OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=S)O[Na])O[Na])[C@@H]([C@H]([C@@H]1O)O)O" . "TYVFMVSNSGMZPA-QBNUFUENSA-L" . "InChI=1S/C15H24N2O16P2S.2Na/c18-3-5-8(20)10(22)12(24)14(31-5)32-35(27,28)33-34(25,26)29-4-6-9(21)11(23)13(30-6)17-2-1-7(19)16-15(17)36;;/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,25,26)(H,27,28)(H,16,19,36);;/q;2*+1/p-2/t5-,6-,8-,9-,10+,11-,12-,13-,14-;;/m1../s1" . "Cc1scc(n1)C#Cc1cccnc1" . "Cc1scc(n1)C#Cc1cccnc1" . "NRBNGHCYDWUVLC-UHFFFAOYSA-N" . "InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3" . "OC(=O)C(C1C(C1C(=O)O)c1ccccc1)N" . "OC(=O)[C@H]([C@H]1[C@H]([C@@H]1C(=O)O)c1ccccc1)N" . "IFLWVSHRWAIVQF-KATARQTJSA-N" . "InChI=1S/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8+,9+,10+/m1/s1" . "OC(=O)CCSC(c1ccccc1CCCCCCCCc1ccccc1)C(C(=O)O)O" . "OC(=O)CCS[C@H](c1ccccc1CCCCCCCCc1ccccc1)[C@H](C(=O)O)O" . "PZIFPMYXXCAOCC-JWQCQUIFSA-N" . "InChI=1S/C26H34O5S/c27-23(28)18-19-32-25(24(29)26(30)31)22-17-11-10-16-21(22)15-9-4-2-1-3-6-12-20-13-7-5-8-14-20/h5,7-8,10-11,13-14,16-17,24-25,29H,1-4,6,9,12,15,18-19H2,(H,27,28)(H,30,31)/t24-,25-/m1/s1" . "CCC(C=CC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O)O" . "CC[C@H](/C=C/C=C/C[C@H](/C=C/C=C/C=C/[C@H](CCCC(=O)O)O)O)O" . "AOPOCGPBAIARAV-OTBJXLELSA-N" . "InChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8+,12-6+,13-7-/t17-,18+,19-/m1/s1" . "OC(=O)CCCC=CCC1C(CC2CC1C2(C)C)NS(=O)(=O)c1ccc(cc1)I" . "OC(=O)CCC/C=C/C[C@@H]1[C@H](C[C@@H]2C[C@H]1C2(C)C)NS(=O)(=O)c1ccc(cc1)I" . "SZNMERGTFJHNSM-JSMWPFPQSA-N" . "InChI=1S/C22H30INO4S/c1-22(2)15-13-19(22)18(7-5-3-4-6-8-21(25)26)20(14-15)24-29(27,28)17-11-9-16(23)10-12-17/h3,5,9-12,15,18-20,24H,4,6-8,13-14H2,1-2H3,(H,25,26)/b5-3-/t15-,18-,19+,20-/m0/s1" . "COC(=O)CCC=CCCC1C(=O)CC(C1C=CCC(C=CC1=CCCC1)(O)C)O" . "COC(=O)CC/C=C/CC[C@H]1C(=O)C[C@H]([C@@H]1/C=C/C[C@](/C=C/C1=CCCC1)(O)C)O" . "ZZVPHCPLTZTOBC-ZNJGPPGCSA-N" . "InChI=1S/C25H36O5/c1-25(29,17-15-19-10-7-8-11-19)16-9-13-21-20(22(26)18-23(21)27)12-5-3-4-6-14-24(28)30-2/h3-4,9-10,13,15,17,20-21,23,27,29H,5-8,11-12,14,16,18H2,1-2H3/b4-3-,13-9+,17-15+/t20-,21-,23-,25-/m1/s1" . "OC(=O)c1ccccc1Nc1cccc(c1)OCc1ccc2c(n1)cccc2" . "OC(=O)c1ccccc1Nc1cccc(c1)OCc1ccc2c(n1)cccc2" . "LMPZHLXYBWGGNT-UHFFFAOYSA-N" . "InChI=1S/C23H18N2O3/c26-23(27)20-9-2-4-11-22(20)24-17-7-5-8-19(14-17)28-15-18-13-12-16-6-1-3-10-21(16)25-18/h1-14,24H,15H2,(H,26,27)" . "CCCCCCCCCC=CC=CC(C(c1cccc(c1)c1nnn[nH]1)O)SCCC(=O)O" . "CCCCCCCCC/C=C/C=C/[C@H]([C@H](c1cccc(c1)c1nnn[nH]1)O)SCCC(=O)O" . "YPHOSUPSOWQQCB-AFOLHBCXSA-N" . "InChI=1S/C25H36N4O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16-22(33-18-17-23(30)31)24(32)20-14-13-15-21(19-20)25-26-28-29-27-25/h10-16,19,22,24,32H,2-9,17-18H2,1H3,(H,30,31)(H,26,27,28,29)/b11-10-,16-12+/t22-,24+/m1/s1" . "OC(=O)CNc1cc(O)c(c(c1)O)O" . "OC(=O)CNc1cc(O)c(c(c1)O)O" . "ZXXHFFMAINKZSZ-UHFFFAOYSA-N" . "InChI=1S/C8H9NO5/c10-5-1-4(9-3-7(12)13)2-6(11)8(5)14/h1-2,9-11,14H,3H2,(H,12,13)" . "CCCCCC=CCC(C=Cc1cccc(n1)CC(CCCCO)O)O" . "CCCCC/C=C/C[C@H](/C=C/c1cccc(n1)C[C@H](CCCCO)O)O" . "JNBOAUIJLDEICX-LJCAKPRGSA-N" . "InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-13-21(25)16-15-19-11-10-12-20(23-19)18-22(26)14-8-9-17-24/h6-7,10-12,15-16,21-22,24-26H,2-5,8-9,13-14,17-18H2,1H3/b7-6-,16-15+/t21-,22+/m1/s1" . "CCCCCCCCc1cccc(c1)NC(=O)C(COP(=O)(O)O)N" . "CCCCCCCCc1cccc(c1)NC(=O)[C@@H](COP(=O)(O)O)N" . "MRUSUGVVWGNKFE-MRXNPFEDSA-N" . "InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-9-14-10-8-11-15(12-14)19-17(20)16(18)13-24-25(21,22)23/h8,10-12,16H,2-7,9,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m1/s1" . "O=C(C1CCCCC1C(=O)O)Nc1cc(Cl)cc(c1)Cl" . "O=C([C@H]1CCCC[C@H]1C(=O)O)Nc1cc(Cl)cc(c1)Cl" . "VSMUYYFJVFSVCA-NWDGAFQWSA-N" . "InChI=1S/C14H15Cl2NO3/c15-8-5-9(16)7-10(6-8)17-13(18)11-3-1-2-4-12(11)14(19)20/h5-7,11-12H,1-4H2,(H,17,18)(H,19,20)/t11-,12+/m0/s1" . "COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C" . "COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C" . "YEEZWCHGZNKEEK-UHFFFAOYSA-N" . "InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)" . "O=C(N1CCC(CC1)OCc1onc(n1)c1ccncc1)OC(C)(C)C" . "O=C(N1CCC(CC1)OCc1onc(n1)c1ccncc1)OC(C)(C)C" . "LHZWKWCEAXQUMX-UHFFFAOYSA-N" . "InChI=1S/C18H24N4O4/c1-18(2,3)25-17(23)22-10-6-14(7-11-22)24-12-15-20-16(21-26-15)13-4-8-19-9-5-13/h4-5,8-9,14H,6-7,10-12H2,1-3H3" . "CCCCC1CCC(CC1)c1onc(n1)c1ccncc1" . "CCCCC1CCC(CC1)c1onc(n1)c1ccncc1" . "OAVLEYPTWABFLF-UHFFFAOYSA-N" . "InChI=1S/C17H23N3O/c1-2-3-4-13-5-7-15(8-6-13)17-19-16(20-21-17)14-9-11-18-12-10-14/h9-13,15H,2-8H2,1H3" . "Ic1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1" . "Ic1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1" . "BUZAJRPLUGXRAB-UHFFFAOYSA-N" . "InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)" . "CN1CCCCC1Cn1cc(c2c1cccc2)C(=O)c1cc(ccc1I)N(=O)=O" . "CN1CCCCC1Cn1cc(c2c1cccc2)C(=O)c1cc(ccc1I)N(=O)=O" . "ZUHIXXCLLBMBDW-UHFFFAOYSA-N" . "InChI=1S/C22H22IN3O3/c1-24-11-5-4-6-16(24)13-25-14-19(17-7-2-3-8-21(17)25)22(27)18-12-15(26(28)29)9-10-20(18)23/h2-3,7-10,12,14,16H,4-6,11,13H2,1H3" . "OC(=O)C1CCCN1" . "OC(=O)[C@@H]1CCCN1" . "ONIBWKKTOPOVIA-BYPYZUCNSA-N" . "InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1" . "NC(C(=O)O)Cc1ccccc1" . "N[C@H](C(=O)O)Cc1ccccc1" . "COLNVLDHVKWLRT-QMMMGPOBSA-N" . "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1" . "NC(C(=O)O)CC(C)C" . "N[C@H](C(=O)O)CC(C)C" . "ROHFNLRQFUQHCH-YFKPBYRVSA-N" . "InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1" . "CCC(C(C(=O)O)N)C" . "CC[C@@H]([C@@H](C(=O)O)N)C" . "AGPKZVBTJJNPAG-WHFBIAKZSA-N" . "InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1" . "NC(C(=O)O)Cc1c[nH]cn1" . "N[C@H](C(=O)O)Cc1c[nH]cn1" . "HNDVDQJCIGZPNO-YFKPBYRVSA-N" . "InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1" . "OC(=O)CC(C(=O)O)N" . "OC(=O)C[C@@H](C(=O)O)N" . "CKLJMWTZIZZHCS-REOHCLBHSA-N" . "InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1" . "CC(c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F" . "C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F" . "VDHAWDNDOKGFTD-MRXNPFEDSA-N" . "InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1" . "OC1CCC2(C(C1(C)C)CCC1(C2CC=C2C1(C)CCC1(C2CC(C)(C)CC1)C(=O)O)C)C" . "O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C)C" . "MIJYXULNPSFWEK-GTOFXWBISA-N" . "InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1" . "CN1CCc2c(C3C1CCc1c3cccc1)cc(c(c2)Cl)O" . "CN1CCc2c([C@@H]3[C@@H]1CCc1c3cccc1)cc(c(c2)Cl)O" . "DMJWENQHWZZWDF-PKOBYXMFSA-N" . "InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19+/m0/s1" . "Clc1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2" . "Clc1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2" . "OGJGQVFWEPNYSB-UHFFFAOYSA-N" . "InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)" . "Clc1ccc(cc1)c1onc(c1C)C1CCN(CC1)CCc1ccccc1" . "Clc1ccc(cc1)c1onc(c1C)C1CCN(CC1)CCc1ccccc1" . "QDMAKDIDFJTXEL-UHFFFAOYSA-N" . "InChI=1S/C23H25ClN2O/c1-17-22(25-27-23(17)20-7-9-21(24)10-8-20)19-12-15-26(16-13-19)14-11-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3" . "O=C(Nc1cccc(c1)C)CN1CCC(CC1)c1ccccn1" . "O=C(Nc1cccc(c1)C)CN1CCC(CC1)c1ccccn1" . "JFCDMGGMCUKHST-UHFFFAOYSA-N" . "InChI=1S/C19H23N3O/c1-15-5-4-6-17(13-15)21-19(23)14-22-11-8-16(9-12-22)18-7-2-3-10-20-18/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,21,23)" . "Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1" . "Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1" . "DKGZKTPJOSAWFA-UHFFFAOYSA-N" . "InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)" . "CCN1CCCC1CNC(=O)c1c(O)c(Cl)cc(c1OC)Cl" . "CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(c1OC)Cl" . "WAOQONBSWFLFPE-VIFPVBQESA-N" . "InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1" . "CCCN1CCOC2C1COc1c2cc(cc1)O" . "CCCN1CCO[C@@H]2[C@@H]1COc1c2cc(cc1)O" . "YOILXOMTHPUMRG-JSGCOSHPSA-N" . "InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m0/s1" . "CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2" . "O=C(n1c2ccccc2c(=O)[nH]c2c1nccc2)CN1CCN(CC1)C([3H])([3H])[3H]" . "RMHMFHUVIITRHF-RLXJOQACSA-N" . "InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)/i1T3" . "CCNC(=O)C1OC(C(C1O)O)n1cnc2c1nc(C#CCC1CCC(CC1)C(=O)OC)nc2N" . "CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(C#CC[C@@H]1CC[C@H](CC1)C(=O)OC)nc2N" . "FLEVIENZILQUKB-XTWQNQIISA-N" . "InChI=1S/C23H30N6O6/c1-3-25-21(32)18-16(30)17(31)22(35-18)29-11-26-15-19(24)27-14(28-20(15)29)6-4-5-12-7-9-13(10-8-12)23(33)34-2/h11-13,16-18,22,30-31H,3,5,7-10H2,1-2H3,(H,25,32)(H2,24,27,28)/t12-,13-,16-,17+,18-,22+/m0/s1" . "N#Cc1c(N)nc(c(c1c1ccc(cc1)OCC1CC1)C#N)SCC(=O)N" . "N#Cc1c(N)nc(c(c1c1ccc(cc1)OCC1CC1)C#N)SCC(=O)N" . "ZTYHZMAZUWOXNC-UHFFFAOYSA-N" . "InChI=1S/C19H17N5O2S/c20-7-14-17(12-3-5-13(6-4-12)26-9-11-1-2-11)15(8-21)19(24-18(14)23)27-10-16(22)25/h3-6,11H,1-2,9-10H2,(H2,22,25)(H2,23,24)" . "OCC1OC(C(C1O)O)n1cnc2c1ncnc2NC1CCCC1O" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@H]1CCC[C@@H]1O" . "GYWXTRVEUURNEW-TVDBPQCTSA-N" . "InChI=1S/C15H21N5O5/c21-4-9-11(23)12(24)15(25-9)20-6-18-10-13(16-5-17-14(10)20)19-7-2-1-3-8(7)22/h5-9,11-12,15,21-24H,1-4H2,(H,16,17,19)/t7-,8-,9+,11+,12+,15+/m0/s1" . "CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C(=O)C" . "CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C(=O)C" . "ZKUCFFYOQOJLGT-UHFFFAOYSA-N" . "InChI=1S/C27H29N5O5/c1-4-14-31-25-23(26(35)32(15-5-2)27(31)36)29-24(30-25)19-8-12-21(13-9-19)37-16-22(34)28-20-10-6-18(7-11-20)17(3)33/h6-13H,4-5,14-16H2,1-3H3,(H,28,34)(H,29,30)" . "CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O" . "CCCn1c(=O)[nH]c2c(c1=O)nc([nH]2)c1ccc(cc1)S(=O)(=O)O" . "UYDRRQPGDSIMNU-UHFFFAOYSA-N" . "InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)" . "OCCCn1c2[nH]c(nc2c(=O)n(c1=O)CCCC)C12CC3CC2CC(C1)C3" . "OCCCn1c2[nH]c(nc2c(=O)n(c1=O)CCCC)C12CC3CC2CC(C1)C3" . "CIBIXJYFYPFMTN-UHFFFAOYSA-N" . "InChI=1S/C21H30N4O3/c1-2-3-5-25-18(27)16-17(24(20(25)28)6-4-7-26)23-19(22-16)21-11-13-8-14(12-21)10-15(21)9-13/h13-15,26H,2-12H2,1H3,(H,22,23)" . "CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl" . "CCCn1c(=O)[nH]c2c(c1=O)[nH]c(n2)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)Cl" . "OVHCTHHFOHMNFV-UHFFFAOYSA-N" . "InChI=1S/C24H25ClN6O4S/c1-2-11-31-23(32)20-22(28-24(31)33)27-21(26-20)16-3-9-19(10-4-16)36(34,35)30-14-12-29(13-15-30)18-7-5-17(25)6-8-18/h3-10H,2,11-15H2,1H3,(H,26,27)(H,28,33)" . "COc1ccc(cc1)CCCn1ncc2c1nc(N)n1c2nc(n1)c1ccco1" . "COc1ccc(cc1)CCCn1ncc2c1nc(N)n1c2nc(n1)c1ccco1" . "AEULVFLPCJOBCE-UHFFFAOYSA-N" . "InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24)" . "OC1CCC(CC1)Nc1nc(nc2c1cc[nH]2)c1ccccc1" . "O[C@@H]1CC[C@H](CC1)Nc1nc(nc2c1cc[nH]2)c1ccccc1" . "RBZNJGHIKXAKQE-HDJSIYSDSA-N" . "InChI=1S/C18H20N4O/c23-14-8-6-13(7-9-14)20-18-15-10-11-19-17(15)21-16(22-18)12-4-2-1-3-5-12/h1-5,10-11,13-14,23H,6-9H2,(H2,19,20,21,22)/t13-,14-" . "COc1ccccc1NC(=O)Nc1nc(nc2c1cccc2)c1cccnc1" . "COc1ccccc1NC(=O)Nc1nc(nc2c1cccc2)c1cccnc1" . "YRAFEJSZTVWUMD-UHFFFAOYSA-N" . "InChI=1S/C21H17N5O2/c1-28-18-11-5-4-10-17(18)24-21(27)26-20-15-8-2-3-9-16(15)23-19(25-20)14-7-6-12-22-13-14/h2-13H,1H3,(H2,23,24,25,26,27)" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCNC(=O)CCCCCNC(=O)COc1ccc(cc1)C=CC1=NC(=Cc2ccc(n2B(F)F)c2cccs2)C=C1" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCNC(=O)CCCCCNC(=O)COc1ccc(cc1)/C=C/C1=NC(=Cc2ccc(n2B(F)F)c2cccs2)C=C1" . "UTTCRXDXTRTMKH-ZXOXUTKXSA-N" . "InChI=1S/C50H54BF2N9O7S/c1-3-28-60-48-46(49(66)61(29-4-2)50(60)67)58-47(59-48)35-14-22-40(23-15-35)69-33-45(65)56-27-26-55-43(63)10-6-5-7-25-54-44(64)32-68-39-20-12-34(13-21-39)11-16-36-17-18-37(57-36)31-38-19-24-41(62(38)51(52)53)42-9-8-30-70-42/h8-9,11-24,30-31H,3-7,10,25-29,32-33H2,1-2H3,(H,54,64)(H,55,63)(H,56,65)(H,58,59)/b16-11+,37-31?" . "CCCCCCOc1nsnc1C1=CCCN(C1)C" . "CCCCCCOc1nsnc1C1=CCCN(C1)[11CH3]" . "JOLJIIDDOBNFHW-JVVVGQRLSA-N" . "InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3/i2-1" . "NC(=N)N1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2" . "NC(=N)N1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2" . "YGBQWISDDSXPRF-UHFFFAOYSA-N" . "InChI=1S/C19H21N7O2/c20-19(21)25-10-8-24(9-11-25)12-16(27)26-15-6-2-1-4-13(15)18(28)23-14-5-3-7-22-17(14)26/h1-7H,8-12H2,(H3,20,21)(H,23,28)" . "FCc1ccc(cc1)C(c1ccccc1)(C(=O)OC1CN2CCC1CC2)O" . "[18F]Cc1ccc(cc1)[C@](c1ccccc1)(C(=O)O[C@H]1CN2CCC1CC2)O" . "WYNSCFORRAXQPA-IFWCHYDGSA-N" . "InChI=1S/C22H24FNO3/c23-14-16-6-8-19(9-7-16)22(26,18-4-2-1-3-5-18)21(25)27-20-15-24-12-10-17(20)11-13-24/h1-9,17,20,26H,10-15H2/t20-,22+/m0/s1/i23-1" . "O=C(N1CCN(CC1)c1ccncc1)CCNS(=O)(=O)c1cccc2c1nsn2" . "O=C(N1CCN(CC1)c1ccncc1)CCNS(=O)(=O)c1cccc2c1nsn2" . "WXDHQWPQLKGANZ-UHFFFAOYSA-N" . "InChI=1S/C18H20N6O3S2/c25-17(24-12-10-23(11-13-24)14-4-7-19-8-5-14)6-9-20-29(26,27)16-3-1-2-15-18(16)22-28-21-15/h1-5,7-8,20H,6,9-13H2" . "CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC" . "CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC" . "MZDYABXXPZNUCT-UHFFFAOYSA-N" . "InChI=1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34)" . "COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C" . "COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C" . "MDNWGCQSCGNTKH-UHFFFAOYSA-N" . "InChI=1S/C18H19N3O2S/c1-10-8-11(2)21-18-14(10)15(19)16(24-18)17(22)20-9-12-4-6-13(23-3)7-5-12/h4-8H,9,19H2,1-3H3,(H,20,22)" . "COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1" . "COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1" . "CTEGQKDJTBWFHW-UHFFFAOYSA-N" . "InChI=1S/C13H14ClN3O2S/c1-5-7-9(15)10(11(18)16-6-3-4-6)20-13(7)17-12(19-2)8(5)14/h6H,3-4,15H2,1-2H3,(H,16,18)" . "CCOc1ccc(cc1)NCC(=O)NN=Cc1c(O)ccc2c1cccc2" . "CCOc1ccc(cc1)NCC(=O)N/N=C/c1c(O)ccc2c1cccc2" . "JWRJGCUSLSJMMD-YDZHTSKRSA-N" . "InChI=1S/C21H21N3O3/c1-2-27-17-10-8-16(9-11-17)22-14-21(26)24-23-13-19-18-6-4-3-5-15(18)7-12-20(19)25/h3-13,22,25H,2,14H2,1H3,(H,24,26)/b23-13+" . "O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2" . "O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2" . "HGMITUYOCPPQLE-UHFFFAOYSA-N" . "InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2" . "O=C1NC(C(=C(N1C)C)C(=O)OC1CCCC1)c1cc2OCOc2cc1[N+](=O)[O-]" . "O=C1NC(C(=C(N1C)C)C(=O)OC1CCCC1)c1cc2OCOc2cc1[N+](=O)[O-]" . "GUFKDOZSNUQIAS-UHFFFAOYSA-N" . "InChI=1S/C19H21N3O7/c1-10-16(18(23)29-11-5-3-4-6-11)17(20-19(24)21(10)2)12-7-14-15(28-9-27-14)8-13(12)22(25)26/h7-8,11,17H,3-6,9H2,1-2H3,(H,20,24)" . "Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2" . "Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2" . "CWPKTBMRVATCBL-UHFFFAOYSA-N" . "InChI=1S/C25H32N4O/c1-19-6-2-3-7-20(19)18-27-14-10-21(11-15-27)28-16-12-22(13-17-28)29-24-9-5-4-8-23(24)26-25(29)30/h2-9,21-22H,10-18H2,1H3,(H,26,30)" . "COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F" . "COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F" . "CKLGZXFOLMHCMC-UHFFFAOYSA-N" . "InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3" . "Cc1cc(C)c2c(n1)sc(c2N)C(=O)NCc1ccc2c(c1)OCO2" . "Cc1cc(C)c2c(n1)sc(c2N)C(=O)NCc1ccc2c(c1)OCO2" . "AZOGCTMOKNTHIU-UHFFFAOYSA-N" . "InChI=1S/C18H17N3O3S/c1-9-5-10(2)21-18-14(9)15(19)16(25-18)17(22)20-7-11-3-4-12-13(6-11)24-8-23-12/h3-6H,7-8,19H2,1-2H3,(H,20,22)" . "CCCN(C1CCN(CC1)Cc1c(OC)cccc1OC)CCCCCCCN1CCC(C1)C(c1ccccc1)(c1ccccc1)C(=O)N" . "CCCN(C1CCN(CC1)Cc1c(OC)cccc1OC)CCCCCCCN1CC[C@H](C1)C(c1ccccc1)(c1ccccc1)C(=O)N" . "AXSAVLPYCZEECW-PSXMRANNSA-N" . "InChI=1S/C42H60N4O3/c1-4-26-46(37-24-30-45(31-25-37)33-38-39(48-2)21-16-22-40(38)49-3)28-15-7-5-6-14-27-44-29-23-36(32-44)42(41(43)47,34-17-10-8-11-18-34)35-19-12-9-13-20-35/h8-13,16-22,36-37H,4-7,14-15,23-33H2,1-3H3,(H2,43,47)/t36-/m1/s1" . "COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1" . "COc1ccccc1N1CCN(CC1)CCN([11C](=O)C1CCCCC1)c1ccccn1" . "SBPRIAGPYFYCRT-FNNGWQQSSA-N" . "InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3/i25-1" . "COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1" . "COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1" . "SBPRIAGPYFYCRT-UHFFFAOYSA-N" . "InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3" . "NCCc1c[nH]c2c1cc(OCC(=O)NCC(=O)NC(C(=O)N)Cc1ccc(c(c1)I)O)cc2" . "NCCc1c[nH]c2c1cc(OCC(=O)NCC(=O)N[C@H](C(=O)N)Cc1ccc(c(c1)[125I])O)cc2" . "JVQSCVCNDUJMMW-BYWNROPASA-N" . "InChI=1S/C23H26IN5O5/c24-17-7-13(1-4-20(17)30)8-19(23(26)33)29-21(31)11-28-22(32)12-34-15-2-3-18-16(9-15)14(5-6-25)10-27-18/h1-4,7,9-10,19,27,30H,5-6,8,11-12,25H2,(H2,26,33)(H,28,32)(H,29,31)/t19-/m0/s1/i24-2" . "COc1cccc(c1OC)C(C1CCN(CC1)CCc1ccc(cc1)F)O" . "[11CH3]Oc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O" . "HXTGXYRHXAGCFP-AVUPQLEMSA-N" . "InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1/i1-1" . "NCCc1c[nH]c2c1cc(O)cc2" . "C([3H])(C(c1c[nH]c2c1cc(O)cc2)[3H])N" . "QZAYGJVTTNCVMB-PZFLKRBQSA-N" . "InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2/i3T,4T" . "CC1CCN(CC1)CCC1CCCN1S(=O)(=O)c1cccc(c1)O" . "CC1CCN(CC1)CC[C@H]1CCCN1S(=O)(=O)c1cccc(c1)O" . "HWKROQUZSKPIKQ-MRXNPFEDSA-N" . "InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1" . "CNc1cc(cc(n1)NC)NS(=O)(=O)c1ccc(cc1)N" . "CNc1cc(cc(n1)NC)NS(=O)(=O)c1ccc(cc1)N" . "PTFNKZLSFWJYFJ-UHFFFAOYSA-N" . "InChI=1S/C13H17N5O2S/c1-15-12-7-10(8-13(16-2)17-12)18-21(19,20)11-5-3-9(14)4-6-11/h3-8H,14H2,1-2H3,(H3,15,16,17,18)" . "COc1ccc(cc1N1CCN(CC1)C)NS(=O)(=O)c1ccc(cc1)I" . "COc1ccc(cc1N1CCN(CC1)C)NS(=O)(=O)c1ccc(cc1)[125I]" . "BDHMSYNBSBZCAF-GBVACIEGSA-N" . "InChI=1S/C18H22IN3O3S/c1-21-9-11-22(12-10-21)17-13-15(5-8-18(17)25-2)20-26(23,24)16-6-3-14(19)4-7-16/h3-8,13,20H,9-12H2,1-2H3/i19-2" . "[C]N1CCC(CC1)COC(=O)c1cc(Cl)c(c2c1OCCO2)N" . "[11C]N1CCC(CC1)COC(=O)c1cc(Cl)c(c2c1OCCO2)N" . "GZIVVHOGLMLPGS-BJUDXGSMSA-N" . "InChI=1S/C16H18ClN2O4/c1-19-4-2-10(3-5-19)9-23-16(20)11-8-12(17)13(18)15-14(11)21-6-7-22-15/h8,10H,2-7,9,18H2/i1-1" . "CCCCN1CCC(CC1)COC(=O)c1cc(I)c(c2c1OCCO2)N" . "CCCCN1CCC(CC1)COC(=O)c1cc([123I])c(c2c1OCCO2)N" . "FCKKCDRMGKXQDK-BMILMZPDSA-N" . "InChI=1S/C19H27IN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3/i20-4" . "Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=S)[nH]c2c(c1=O)cccc2" . "[18F]c1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=S)[nH]c2c(c1=O)cccc2" . "SMYALUSCZJXWHG-VNRZBHCFSA-N" . "InChI=1S/C22H22FN3O2S/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)/i23-1" . "COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Cl)cc(c1OC)Cl" . "COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Cl)cc(c1OC)Cl" . "ATKZKAYWARYLBW-UHFFFAOYSA-N" . "InChI=1S/C18H21Cl2N3O4S/c1-26-17-4-3-13(11-16(17)23-7-5-21-6-8-23)28(24,25)22-15-10-12(19)9-14(20)18(15)27-2/h3-4,9-11,21-22H,5-8H2,1-2H3" . "NCCc1cn(c2c1cccc2)S(=O)(=O)c1c(Cl)nc2n1ccs2" . "NCCc1cn(c2c1cccc2)S(=O)(=O)c1c(Cl)nc2n1ccs2" . "RYBOXBBYCVOYNO-UHFFFAOYSA-N" . "InChI=1S/C15H13ClN4O2S2/c16-13-14(19-7-8-23-15(19)18-13)24(21,22)20-9-10(5-6-17)11-3-1-2-4-12(11)20/h1-4,7-9H,5-6,17H2" . "Clc1ccc(cc1)OC1CCN(CC1)CCC1CCCN1S(=O)(=O)c1ccc2c(c1)[nH]cc2" . "Clc1ccc(cc1)OC1CCN(CC1)CC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)[nH]cc2" . "QEGMGDYIJDZJCI-OAQYLSRUSA-N" . "InChI=1S/C25H30ClN3O3S/c26-20-4-6-22(7-5-20)32-23-11-16-28(17-12-23)15-10-21-2-1-14-29(21)33(30,31)24-8-3-19-9-13-27-25(19)18-24/h3-9,13,18,21,23,27H,1-2,10-12,14-17H2/t21-/m1/s1" . "COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)cc(c1Br)F" . "COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)cc(c1Br)F" . "BLWHAZZXRHTFJE-UHFFFAOYSA-N" . "InChI=1S/C17H18Br2FN3O3S/c1-26-16-3-2-12(10-15(16)23-6-4-21-5-7-23)27(24,25)22-14-9-11(18)8-13(20)17(14)19/h2-3,8-10,21-22H,4-7H2,1H3" . "CC1CCN(CC1)CCC1CCCN1S(=O)(=O)c1cccc(c1)O" . "CC1CCN(CC1)CC[C@H]1CCCN1S(=O)(=O)c1cccc(c1)O" . "HWKROQUZSKPIKQ-MRXNPFEDSA-N" . "InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1" . "COc1ccc(cc1N1CCN(CC1)C)NS(=O)(=O)c1ccc(cc1)I" . "COc1ccc(cc1N1CCN(CC1)C)NS(=O)(=O)c1ccc(cc1)I" . "BDHMSYNBSBZCAF-UHFFFAOYSA-N" . "InChI=1S/C18H22IN3O3S/c1-21-9-11-22(12-10-21)17-13-15(5-8-18(17)25-2)20-26(23,24)16-6-3-14(19)4-7-16/h3-8,13,20H,9-12H2,1-2H3" . "CCN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1nnc(o1)C" . "CCN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1nnc(o1)C" . "WXAKEEQOWUHGCI-UHFFFAOYSA-N" . "InChI=1S/C33H34N4O3/c1-4-36-15-12-33(13-16-36)20-39-30-18-25-11-14-37(29(25)19-28(30)33)32(38)24-7-5-23(6-8-24)27-10-9-26(17-21(27)2)31-35-34-22(3)40-31/h5-10,17-19H,4,11-16,20H2,1-3H3" . "COc1cc(N)c(cc1C(=O)CCC1CCN(CC1)CCNS(=O)(=O)C)Cl" . "COc1cc(N)c(cc1C(=O)CCC1CCN(CC1)CCNS(=O)(=O)C)Cl" . "UATDVRSFFGFTAI-UHFFFAOYSA-N" . "InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3" . "Fc1ccc(cc1)N1CCN(CC1)CCCN1c2cccc3c2c(S1(=O)=O)ccc3" . "Fc1ccc(cc1)N1CCN(CC1)CCCN1c2cccc3c2c(S1(=O)=O)ccc3" . "VGIGHGMPMUCLIQ-UHFFFAOYSA-N" . "InChI=1S/C23H24FN3O2S/c24-19-8-10-20(11-9-19)26-16-14-25(15-17-26)12-3-13-27-21-6-1-4-18-5-2-7-22(23(18)21)30(27,28)29/h1-2,4-11H,3,12-17H2" . "CNC(=O)c1ccc2c(c1)CCOC2CCN1CCN(CC1)c1ccc(cc1)OC" . "CNC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCN(CC1)c1ccc(cc1)OC" . "UDLSEQDYARNKTL-QHCPKHFHSA-N" . "InChI=1S/C24H31N3O3/c1-25-24(28)19-3-8-22-18(17-19)10-16-30-23(22)9-11-26-12-14-27(15-13-26)20-4-6-21(29-2)7-5-20/h3-8,17,23H,9-16H2,1-2H3,(H,25,28)/t23-/m0/s1" . "COc1ccccc1N1CCN(CC1)CCN(C(=O)c1ccc(cc1)F)c1ncccn1" . "COc1ccccc1N1CCN(CC1)CCN(C(=O)c1ccc(cc1)[18F])c1ncccn1" . "ADELHWYAKAZUCR-FNNGWQQSSA-N" . "InChI=1S/C24H26FN5O2/c1-32-22-6-3-2-5-21(22)29-16-13-28(14-17-29)15-18-30(24-26-11-4-12-27-24)23(31)19-7-9-20(25)10-8-19/h2-12H,13-18H2,1H3/i25-1" . "C1COC(CN1)COc1cccc2c1OCC(=C2)CN1CCOCC1" . "C1COC(CN1)COc1cccc2c1OCC(=C2)CN1CCOCC1" . "RTKDBEOSPDFLGD-UHFFFAOYSA-N" . "InChI=1S/C19H26N2O4/c1-2-16-10-15(12-21-5-8-22-9-6-21)13-25-19(16)18(3-1)24-14-17-11-20-4-7-23-17/h1-3,10,17,20H,4-9,11-14H2" . "Cc1ncn(c1)c1cccc(c1)Nc1ncnc2c1CCc1c2cccc1" . "Cc1ncn(c1)c1cccc(c1)Nc1ncnc2c1CCc1c2cccc1" . "LFKNMCJSJZOQJF-UHFFFAOYSA-N" . "InChI=1S/C22H19N5/c1-15-12-27(14-25-15)18-7-4-6-17(11-18)26-22-20-10-9-16-5-2-3-8-19(16)21(20)23-13-24-22/h2-8,11-14H,9-10H2,1H3,(H,23,24,26)" . "CN1CCN(CC1)c1ccc(c2c1oc(cc2=O)C(=O)Nc1ccc(cc1)N1CCOCC1)C" . "O=C(c1cc(=O)c2c(o1)c(ccc2C)N1CCN(CC1)C([3H])([3H])[3H])Nc1ccc(cc1)N1CCOCC1" . "JKPWOPNZKYPRPZ-BHTRQJOGSA-N" . "InChI=1S/C26H30N4O4/c1-18-3-8-21(30-11-9-28(2)10-12-30)25-24(18)22(31)17-23(34-25)26(32)27-19-4-6-20(7-5-19)29-13-15-33-16-14-29/h3-8,17H,9-16H2,1-2H3,(H,27,32)/i2T3" . "CCCN(C1CCc2c(C1)c(O)ccc2F)CCC" . "CCCN([C@@H]1CCc2c(C1)c(O)ccc2F)CCC" . "FNKBVTBXFLSTPB-GFCCVEGCSA-N" . "InChI=1S/C16H24FNO/c1-3-9-18(10-4-2)12-5-6-13-14(11-12)16(19)8-7-15(13)17/h7-8,12,19H,3-6,9-11H2,1-2H3/t12-/m1/s1" . "CN(CCc1c[nH]c2c1cc(cc2)NS(=O)(=O)c1c(Cl)nc2n1ccs2)C" . "CN(CCc1c[nH]c2c1cc(cc2)NS(=O)(=O)c1c(Cl)nc2n1ccs2)C" . "RZAXUKVIIWUIOM-UHFFFAOYSA-N" . "InChI=1S/C17H18ClN5O2S2/c1-22(2)6-5-11-10-19-14-4-3-12(9-13(11)14)21-27(24,25)16-15(18)20-17-23(16)7-8-26-17/h3-4,7-10,19,21H,5-6H2,1-2H3" . "CC(=CCOP(=O)(OP(=O)(S)[O-])[O-])CCC=C(CCC=C(C)C)C" . "CC(=CCOP(=O)(OP(=O)(S)[O-])[O-])CCC=C(CCC=C(C)C)C" . "DRADWUUFBCYMDM-UHFFFAOYSA-L" . "InChI=1S/C15H28O6P2S/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-20-22(16,17)21-23(18,19)24/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,16,17)(H2,18,19,24)/p-2" . "OCC=C(CCC=C(CCC=C(C)C)C)C" . "OCC=C(CCC=C(CCC=C(C)C)C)C" . "CRDAMVZIKSXKFV-UHFFFAOYSA-N" . "InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3" . "CC(CCC=C(CCC=C(C)C)C)CCOP(=O)(O)O" . "CC(CC/C=C(/CCC=C(C)C)/C)CCOP(=O)(O)O" . "DZHSRPJGCZHWOM-NTEUORMPSA-N" . "InChI=1S/C15H29O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,15H,5-6,8,10-12H2,1-4H3,(H2,16,17,18)/b14-9+" . "OC(=O)C(C(CCOP(=O)(OP(=O)(O)O)O)(O)C)(F)F" . "OC(=O)C(C(CCOP(=O)(OP(=O)(O)O)O)(O)C)(F)F" . "TYAGFMDNISQMRJ-UHFFFAOYSA-N" . "InChI=1S/C6H12F2O10P2/c1-5(11,6(7,8)4(9)10)2-3-17-20(15,16)18-19(12,13)14/h11H,2-3H2,1H3,(H,9,10)(H,15,16)(H2,12,13,14)" . "P=POCCC(CC)(O)C" . "P=POCCC(CC)(O)C" . "QGZAHEYJZLWZDX-UHFFFAOYSA-N" . "InChI=1S/C6H14O2P2/c1-3-6(2,7)4-5-8-10-9/h7,9H,3-5H2,1-2H3" . "P=POCCC(C(C)C)(O)C" . "P=POCCC(C(C)C)(O)C" . "VODAHBTZSLKFBN-UHFFFAOYSA-N" . "InChI=1S/C7H16O2P2/c1-6(2)7(3,8)4-5-9-11-10/h6,8,10H,4-5H2,1-3H3" . "OC(CC(CC(=O)O)(O)C)CCCOP(=O)(OP(=O)(OCC=C(CCC=C(C)C)C)O)O" . "OC(CC(CC(=O)O)(O)C)CCCOP(=O)(OP(=O)(OC/C=C(/CCC=C(C)C)/C)O)O" . "FPMYZHYONYFBNX-MHWRWJLKSA-N" . "InChI=1S/C19H36O11P2/c1-15(2)7-5-8-16(3)10-12-29-32(26,27)30-31(24,25)28-11-6-9-17(20)13-19(4,23)14-18(21)22/h7,10,17,20,23H,5-6,8-9,11-14H2,1-4H3,(H,21,22)(H,24,25)(H,26,27)/b16-10+" . "CC(=CCOP(=O)(OP(=O)(OCCC(CC(CC(=O)O)(O)C)O)O)O)CCC=C(C)C" . "C/C(=C/COP(=O)(OP(=O)(OCCC(CC(CC(=O)O)(O)C)O)O)O)/CCC=C(C)C" . "WJXJJEWDRXZOEO-OVCLIPMQSA-N" . "InChI=1S/C18H34O11P2/c1-14(2)6-5-7-15(3)8-10-27-30(23,24)29-31(25,26)28-11-9-16(19)12-18(4,22)13-17(20)21/h6,8,16,19,22H,5,7,9-13H2,1-4H3,(H,20,21)(H,23,24)(H,25,26)/b15-8+" . "CC(=CCOP(=O)(OP(=O)(OCCC(C(C(=O)O)F)(O)C)O)O)CCC=C(C)C" . "C/C(=C/COP(=O)(OP(=O)(OCCC(C(C(=O)O)F)(O)C)O)O)/CCC=C(C)C" . "ACYPMTKDKJZHBJ-MDWZMJQESA-N" . "InChI=1S/C16H29FO10P2/c1-12(2)6-5-7-13(3)8-10-25-28(21,22)27-29(23,24)26-11-9-16(4,20)14(17)15(18)19/h6,8,14,20H,5,7,9-11H2,1-4H3,(H,18,19)(H,21,22)(H,23,24)/b13-8+" . "OC(=O)C1CCCN1C(C(P(=O)(O)O)(P(=O)(O)O)O)O" . "OC(=O)C1CCCN1C(C(P(=O)(O)O)(P(=O)(O)O)O)O" . "CDFDGXYBANXCPC-UHFFFAOYSA-N" . "InChI=1S/C7H15NO10P2/c9-5(10)4-2-1-3-8(4)6(11)7(12,19(13,14)15)20(16,17)18/h4,6,11-12H,1-3H2,(H,9,10)(H2,13,14,15)(H2,16,17,18)" . "FCC(OP(=O)(OP(=O)(O)O)O)CC(CC(=O)O)(O)C" . "FCC(OP(=O)(OP(=O)(O)O)O)CC(CC(=O)O)(O)C" . "YGLNCOGHKIHKSA-UHFFFAOYSA-N" . "InChI=1S/C7H15FO10P2/c1-7(11,3-6(9)10)2-5(4-8)17-20(15,16)18-19(12,13)14/h5,11H,2-4H2,1H3,(H,9,10)(H,15,16)(H2,12,13,14)" . "OC(=O)C(C(CCOP(=O)(OP(=O)(O)O)O)(O)C)F" . "OC(=O)C(C(CCOP(=O)(OP(=O)(O)O)O)(O)C)F" . "WPXHWHACORBSDS-UHFFFAOYSA-N" . "InChI=1S/C6H13FO10P2/c1-6(10,4(7)5(8)9)2-3-16-19(14,15)17-18(11,12)13/h4,10H,2-3H2,1H3,(H,8,9)(H,14,15)(H2,11,12,13)" . "OC(=O)C=Cc1ccccc1" . "OC(=O)/C=C/c1ccccc1" . "WBYWAXJHAXSJNI-VOTSOKGWSA-N" . "InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+" . "OC(=O)CC(CCCP(=O)(O)O)(O)C" . "OC(=O)CC(CCCP(=O)(O)O)(O)C" . "XRCIRZGXKWCWNQ-UHFFFAOYSA-N" . "InChI=1S/C7H15O6P/c1-7(10,5-6(8)9)3-2-4-14(11,12)13/h10H,2-5H2,1H3,(H,8,9)(H2,11,12,13)" . "CC(=CCCC(=CCC(P(=O)(O)O)P(=O)(O)O)C)CCC=C(C)C" . "C/C(=C/CC/C(=C/CC(P(=O)(O)O)P(=O)(O)O)/C)/CCC=C(C)C" . "QBAOBDKNTDWTHR-YFVJMOTDSA-N" . "InChI=1S/C16H30O6P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(23(17,18)19)24(20,21)22/h7,9,11,16H,5-6,8,10,12H2,1-4H3,(H2,17,18,19)(H2,20,21,22)/b14-9+,15-11+" . "CN(CCC=C(CCC=C(CCC=C(C)C)C)C)CCOP(=O)(OP(=O)(O)O)O" . "CN(CC/C=C(/CC/C=C(/CCC=C(C)C)/C)/C)CCOP(=O)(OP(=O)(O)O)O" . "OEMBPHBKZPOPBN-NWLVNBMCSA-N" . "InChI=1S/C19H37NO7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13H,6-8,10,12,14-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+" . "CCCCCCCCCC(P(=O)(O)O)(P(=O)(O)O)O" . "CCCCCCCCCC(P(=O)(O)O)(P(=O)(O)O)O" . "NSCPCMXKWUFFNL-UHFFFAOYSA-N" . "InChI=1S/C10H24O7P2/c1-2-3-4-5-6-7-8-9-10(11,18(12,13)14)19(15,16)17/h11H,2-9H2,1H3,(H2,12,13,14)(H2,15,16,17)" . "Clc1ccc(c(c1)Cl)CC(P(=O)(O)O)(P(=O)(O)O)Cc1ccc(cc1Cl)Cl" . "Clc1ccc(c(c1)Cl)CC(P(=O)(O)O)(P(=O)(O)O)Cc1ccc(cc1Cl)Cl" . "HOUGVWVFZPBNCB-UHFFFAOYSA-N" . "InChI=1S/C15H14Cl4O6P2/c16-11-3-1-9(13(18)5-11)7-15(26(20,21)22,27(23,24)25)8-10-2-4-12(17)6-14(10)19/h1-6H,7-8H2,(H2,20,21,22)(H2,23,24,25)" . "CCCCCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)[O-]" . "CCCCCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)[O-]" . "QYJHUOZDBUEKQC-UHFFFAOYSA-N" . "InChI=1S/C17H31NO7P2/c1-2-3-4-5-6-7-8-9-13-25-16-11-10-12-18(14-16)15-17(26(19,20)21)27(22,23)24/h10-12,14,17H,2-9,13,15H2,1H3,(H3-,19,20,21,22,23,24)" . "CCCCCCCCCCCCN(CC(P(=O)(O)O)P(=O)(O)O)C" . "CCCCCCCCCCCCN(CC(P(=O)(O)O)P(=O)(O)O)C" . "FQYMJTHEUPKDPQ-UHFFFAOYSA-N" . "InChI=1S/C15H35NO6P2/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)14-15(23(17,18)19)24(20,21)22/h15H,3-14H2,1-2H3,(H2,17,18,19)(H2,20,21,22)" . "CCCCCCCCCCOc1cc(c[n+](c1)C)CC(P(=O)(O)O)P(=O)(O)[O-]" . "CCCCCCCCCCOc1cc(c[n+](c1)C)CC(P(=O)(O)O)P(=O)(O)[O-]" . "PUCSJEGLZHMUSS-UHFFFAOYSA-N" . "InChI=1S/C18H33NO7P2/c1-3-4-5-6-7-8-9-10-11-26-17-12-16(14-19(2)15-17)13-18(27(20,21)22)28(23,24)25/h12,14-15,18H,3-11,13H2,1-2H3,(H3-,20,21,22,23,24,25)" . "CCCCCCCCCCOc1cccc(c1)CC(P(=O)(O)O)(P(=O)(O)O)O" . "CCCCCCCCCCOc1cccc(c1)CC(P(=O)(O)O)(P(=O)(O)O)O" . "MHLLAPRPDYGFFU-UHFFFAOYSA-N" . "InChI=1S/C18H32O8P2/c1-2-3-4-5-6-7-8-9-13-26-17-12-10-11-16(14-17)15-18(19,27(20,21)22)28(23,24)25/h10-12,14,19H,2-9,13,15H2,1H3,(H2,20,21,22)(H2,23,24,25)" . "CN(CCC=C(CCC=C(C)C)C)CCCOP(=O)(OP(=O)(O)O)O" . "CN(CC/C=C(/CCC=C(C)C)/C)CCCOP(=O)(OP(=O)(O)O)O" . "PNEIVJAQBZSMGD-XNTDXEJSSA-N" . "InChI=1S/C15H31NO7P2/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-22-25(20,21)23-24(17,18)19/h8,10H,5-7,9,11-13H2,1-4H3,(H,20,21)(H2,17,18,19)/b15-10+" . "CCCCCCCCCCCC(P(=O)(O)O)(P(=O)(O)O)O" . "CCCCCCCCCCCC(P(=O)(O)O)(P(=O)(O)O)O" . "KKVZONPEMODBBG-UHFFFAOYSA-N" . "InChI=1S/C12H28O7P2/c1-2-3-4-5-6-7-8-9-10-11-12(13,20(14,15)16)21(17,18)19/h13H,2-11H2,1H3,(H2,14,15,16)(H2,17,18,19)" . "CCCCCCCCCCCC[P+](CC(P(=O)(O)O)P(=O)(O)[O-])(C)C" . "CCCCCCCCCCCC[P+](CC(P(=O)(O)O)P(=O)(O)[O-])(C)C" . "QCMHKGWUOSRYCF-UHFFFAOYSA-N" . "InChI=1S/C16H37O6P3/c1-4-5-6-7-8-9-10-11-12-13-14-23(2,3)15-16(24(17,18)19)25(20,21)22/h16H,4-15H2,1-3H3,(H3-,17,18,19,20,21,22)" . "OP(=O)(C(P(=O)(O)O)(Cc1cccc(c1)c1ccc(cc1)c1ccccc1)O)O" . "OP(=O)(C(P(=O)(O)O)(Cc1cccc(c1)c1ccc(cc1)c1ccccc1)O)O" . "MPBUFKZCEBTBSK-UHFFFAOYSA-N" . "InChI=1S/C20H20O7P2/c21-20(28(22,23)24,29(25,26)27)14-15-5-4-8-19(13-15)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27)" . "CC(=CCC(P(=O)(O)O)(P(=O)(O)O)CC=C(CCC=C(C)C)C)CCC=C(C)C" . "C/C(=C/CC(P(=O)(O)O)(P(=O)(O)O)C/C=C(/CCC=C(C)C)/C)/CCC=C(C)C" . "SQERRIVHBWCION-IWGRKNQJSA-N" . "InChI=1S/C21H38O6P2/c1-17(2)9-7-11-19(5)13-15-21(28(22,23)24,29(25,26)27)16-14-20(6)12-8-10-18(3)4/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3,(H2,22,23,24)(H2,25,26,27)/b19-13+,20-14+" . "NC(=N)NCC(P(=O)(O)O)(P(=O)(O)O)O" . "NC(=N)NCC(P(=O)(O)O)(P(=O)(O)O)O" . "ZZHOMRYFXNLXOZ-UHFFFAOYSA-N" . "InChI=1S/C3H11N3O7P2/c4-2(5)6-1-3(7,14(8,9)10)15(11,12)13/h7H,1H2,(H4,4,5,6)(H2,8,9,10)(H2,11,12,13)" . "C[n+]1cccc(c1)CC(P(=O)(O)O)(P(=O)(O)O)O" . "C[n+]1cccc(c1)CC(P(=O)(O)O)(P(=O)(O)O)O" . "BBNRLGQPSIXFHZ-UHFFFAOYSA-O" . "InChI=1S/C8H13NO7P2/c1-9-4-2-3-7(6-9)5-8(10,17(11,12)13)18(14,15)16/h2-4,6,10H,5H2,1H3,(H3-,11,12,13,14,15,16)/p+1" . "OP(=O)(C(P(=O)(O)O)Cc1ccccn1)O" . "OP(=O)(C(P(=O)(O)O)Cc1ccccn1)O" . "NGMZSXZBZNXBGX-UHFFFAOYSA-N" . "InChI=1S/C7H11NO6P2/c9-15(10,11)7(16(12,13)14)5-6-3-1-2-4-8-6/h1-4,7H,5H2,(H2,9,10,11)(H2,12,13,14)" . "OP(=O)(C(P(=O)(O)O)Cc1cccnc1)O" . "OP(=O)(C(P(=O)(O)O)Cc1cccnc1)O" . "KZMOFWIRXNQJET-UHFFFAOYSA-N" . "InChI=1S/C7H11NO6P2/c9-15(10,11)7(16(12,13)14)4-6-2-1-3-8-5-6/h1-3,5,7H,4H2,(H2,9,10,11)(H2,12,13,14)" . "OP(=O)(C(P(=O)(O)O)(Cn1cncc1)O)O" . "OP(=O)(C(P(=O)(O)O)(Cn1cncc1)O)O" . "XRASPMIURGNCCH-UHFFFAOYSA-N" . "InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)" . "OP(=O)(C(P(=O)(O)O)(Cc1cccnc1)O)O" . "OP(=O)(C(P(=O)(O)O)(Cc1cccnc1)O)O" . "IIDJRNMFWXDHID-UHFFFAOYSA-N" . "InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)" . "CC(=CCC(P(=O)(O)O)P(=O)(O)O)CCC=C(C)C" . "C/C(=C/CC(P(=O)(O)O)P(=O)(O)O)/CCC=C(C)C" . "HMRLDZHPNDPQNS-JXMROGBWSA-N" . "InChI=1S/C11H22O6P2/c1-9(2)5-4-6-10(3)7-8-11(18(12,13)14)19(15,16)17/h5,7,11H,4,6,8H2,1-3H3,(H2,12,13,14)(H2,15,16,17)/b10-7+" . "Cc1cccnc1NC(P(=O)(O)O)P(=O)(O)O" . "Cc1cccnc1NC(P(=O)(O)O)P(=O)(O)O" . "NAIJOBGUXRHQJW-UHFFFAOYSA-N" . "InChI=1S/C7H12N2O6P2/c1-5-3-2-4-8-6(5)9-7(16(10,11)12)17(13,14)15/h2-4,7H,1H3,(H,8,9)(H2,10,11,12)(H2,13,14,15)" . "OP(=O)(C(P(=O)(O)O)(Cc1cccnc1)F)O" . "OP(=O)(C(P(=O)(O)O)(Cc1cccnc1)F)O" . "HHDUHWLBPDOLIL-UHFFFAOYSA-N" . "InChI=1S/C7H10FNO6P2/c8-7(16(10,11)12,17(13,14)15)4-6-2-1-3-9-5-6/h1-3,5H,4H2,(H2,10,11,12)(H2,13,14,15)" . "OP(=O)(C(P(=O)(O)O)(Cc1ccccn1)O)O" . "OP(=O)(C(P(=O)(O)O)(Cc1ccccn1)O)O" . "XXNASZAYANFLID-UHFFFAOYSA-N" . "InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)5-6-3-1-2-4-8-6/h1-4,9H,5H2,(H2,10,11,12)(H2,13,14,15)" . "Nc1ccccc1CC(P(=O)(O)O)(P(=O)(O)O)O" . "Nc1ccccc1CC(P(=O)(O)O)(P(=O)(O)O)O" . "VJXYJONFUZXZJZ-UHFFFAOYSA-N" . "InChI=1S/C8H13NO7P2/c9-7-4-2-1-3-6(7)5-8(10,17(11,12)13)18(14,15)16/h1-4,10H,5,9H2,(H2,11,12,13)(H2,14,15,16)" . "CC1CCCN=C1NC(P(=O)(O)O)P(=O)(O)O" . "CC1CCCN=C1NC(P(=O)(O)O)P(=O)(O)O" . "XUCBNFJYKWKAMN-UHFFFAOYSA-N" . "InChI=1S/C7H16N2O6P2/c1-5-3-2-4-8-6(5)9-7(16(10,11)12)17(13,14)15/h5,7H,2-4H2,1H3,(H,8,9)(H2,10,11,12)(H2,13,14,15)" . "OC(=O)C(P(=O)(O)O)(Cc1cccnc1)O" . "OC(=O)C(P(=O)(O)O)(Cc1cccnc1)O" . "FJVYPXVLXQXDHM-UHFFFAOYSA-N" . "InChI=1S/C8H10NO6P/c10-7(11)8(12,16(13,14)15)4-6-2-1-3-9-5-6/h1-3,5,12H,4H2,(H,10,11)(H2,13,14,15)" . "OP(=O)(C(P(=O)(O)O)(Cc1cnc2n1cccc2)O)O" . "OP(=O)(C(P(=O)(O)O)(Cc1cnc2n1cccc2)O)O" . "VMMKGHQPQIEGSQ-UHFFFAOYSA-N" . "InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)" . "OP(=O)(C(P(=O)(O)O)CNc1ccccn1)O" . "OP(=O)(C(P(=O)(O)O)CNc1ccccn1)O" . "BHVCADPDEFLLGM-UHFFFAOYSA-N" . "InChI=1S/C7H12N2O6P2/c10-16(11,12)7(17(13,14)15)5-9-6-3-1-2-4-8-6/h1-4,7H,5H2,(H,8,9)(H2,10,11,12)(H2,13,14,15)" . "OC1=C(C(=O)Nc2ccc(cc2)C2CCCCC2)C(=O)N(C1)Cc1ccccc1" . "OC1=C(C(=O)Nc2ccc(cc2)C2CCCCC2)C(=O)N(C1)Cc1ccccc1" . "JKRIQNNJCFTRAF-UHFFFAOYSA-N" . "InChI=1S/C24H26N2O3/c27-21-16-26(15-17-7-3-1-4-8-17)24(29)22(21)23(28)25-20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,27H,2,5-6,9-10,15-16H2,(H,25,28)" . "OP(=O)(C(P(=O)(O)O)(CC1CCCCN1)O)O" . "OP(=O)(C(P(=O)(O)O)(CC1CCCCN1)O)O" . "GKUBJNUBGKBXKR-UHFFFAOYSA-N" . "InChI=1S/C7H17NO7P2/c9-7(16(10,11)12,17(13,14)15)5-6-3-1-2-4-8-6/h6,8-9H,1-5H2,(H2,10,11,12)(H2,13,14,15)" . "CCCCCCCCCC[S+](CC(P(=O)(O)O)P(=O)(O)[O-])C" . "CCCCCCCCCC[S+](CC(P(=O)(O)O)P(=O)(O)[O-])C" . "RKGOJPTZXHKAKX-UHFFFAOYSA-N" . "InChI=1S/C13H30O6P2S/c1-3-4-5-6-7-8-9-10-11-22(2)12-13(20(14,15)16)21(17,18)19/h13H,3-12H2,1-2H3,(H3-,14,15,16,17,18,19)" . "OP(=O)(OP(=O)(O)O)O" . "OP(=O)(OP(=O)(O)O)O" . "XPPKVPWEQAFLFU-UHFFFAOYSA-N" . "InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)" . "CSC12CC3=CC=CC(C3N2C(=O)C(N(C1=O)C)(SC)CO)O" . "CS[C@]12CC3=CC=C[C@@H]([C@H]3N2C(=O)[C@](N(C1=O)C)(SC)CO)O" . "OVBAGMZLGLXSBN-UOVKNHIHSA-N" . "InChI=1S/C15H20N2O4S2/c1-16-12(20)14(22-2)7-9-5-4-6-10(19)11(9)17(14)13(21)15(16,8-18)23-3/h4-6,10-11,18-19H,7-8H2,1-3H3/t10-,11-,14+,15+/m0/s1" . "NCCCC(P(=O)(O)O)(P(=O)(O)O)O" . "NCCCC(P(=O)(O)O)(P(=O)(O)O)O" . "OGSPWJRAVKPPFI-UHFFFAOYSA-N" . "InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)" . "C=CCc1c(OCCCNCc2ccccc2)ccc2c1[nH]c1c2cccc1" . "C=CCc1c(OCCCNCc2ccccc2)ccc2c1[nH]c1c2cccc1" . "UPGXTVJBIFAVHT-UHFFFAOYSA-N" . "InChI=1S/C25H26N2O/c1-2-9-22-24(28-17-8-16-26-18-19-10-4-3-5-11-19)15-14-21-20-12-6-7-13-23(20)27-25(21)22/h2-7,10-15,26-27H,1,8-9,16-18H2" . "C=CCc1c(OCCCNC(C)C)ccc2c1[nH]c1c2cccc1" . "C=CCc1c(OCCCNC(C)C)ccc2c1[nH]c1c2cccc1" . "UQDMMPHZGIOABI-UHFFFAOYSA-N" . "InChI=1S/C21H26N2O/c1-4-8-18-20(24-14-7-13-22-15(2)3)12-11-17-16-9-5-6-10-19(16)23-21(17)18/h4-6,9-12,15,22-23H,1,7-8,13-14H2,2-3H3" . "C=CCc1c(OCCCNC(C)C)ccc2c1c(=O)c1c(o2)cccc1" . "C=CCc1c(OCCCNC(C)C)ccc2c1c(=O)c1c(o2)cccc1" . "NZEPLPVSYIYMMM-UHFFFAOYSA-N" . "InChI=1S/C22H25NO3/c1-4-8-16-18(25-14-7-13-23-15(2)3)11-12-20-21(16)22(24)17-9-5-6-10-19(17)26-20/h4-6,9-12,15,23H,1,7-8,13-14H2,2-3H3" . "OP(=O)(C(P(=O)(O)O)CCCCOc1nonc1c1ccccc1)O" . "OP(=O)(C(P(=O)(O)O)CCCCOc1nonc1c1ccccc1)O" . "NPUHGRMCBDPTIW-UHFFFAOYSA-N" . "InChI=1S/C13H18N2O8P2/c16-24(17,18)11(25(19,20)21)8-4-5-9-22-13-12(14-23-15-13)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H2,16,17,18)(H2,19,20,21)" . "OC(P(=O)(O)O)(P(=O)(O)O)CCCCOc1nonc1S(=O)(=O)c1ccccc1" . "OC(P(=O)(O)O)(P(=O)(O)O)CCCCOc1nonc1S(=O)(=O)c1ccccc1" . "PSWFNEHHRVMWEJ-UHFFFAOYSA-N" . "InChI=1S/C13H18N2O11P2S/c16-13(27(17,18)19,28(20,21)22)8-4-5-9-25-11-12(15-26-14-11)29(23,24)10-6-2-1-3-7-10/h1-3,6-7,16H,4-5,8-9H2,(H2,17,18,19)(H2,20,21,22)" . "CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2" . "CCCOc1ccccc1c1nc(=O)c2c(n1)[nH][nH]n2" . "REZGGXNDEMKIQB-UHFFFAOYSA-N" . "InChI=1S/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19)" . "CC(=CCOCP(=O)(CP(=O)(O)O)O)CCC=C(CCC=C(C)C)C" . "C/C(=C/COCP(=O)(CP(=O)(O)O)O)/CC/C=C(/CCC=C(C)C)/C" . "NQSFGDNIHNVCHW-KKYJLSSQSA-N" . "InChI=1S/C17H32O6P2/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-23-13-24(18,19)14-25(20,21)22/h7,9,11H,5-6,8,10,12-14H2,1-4H3,(H,18,19)(H2,20,21,22)/b16-9-,17-11+" . "CC(=CCCC(=Cc1ccc(cc1)COCP(=O)(CP(=O)(O)O)O)C)C" . "CC(=CCC/C(=C/c1ccc(cc1)COCP(=O)(CP(=O)(O)O)O)/C)C" . "HEPFCZUDKRBZIK-LFIBNONCSA-N" . "InChI=1S/C18H28O6P2/c1-15(2)5-4-6-16(3)11-17-7-9-18(10-8-17)12-24-13-25(19,20)14-26(21,22)23/h5,7-11H,4,6,12-14H2,1-3H3,(H,19,20)(H2,21,22,23)/b16-11+" . "CC(=CCOc1cccc(c1)CNC(=O)N(C(C(=O)[O-])(C)C)O)CCC=C(C)C" . "C/C(=C/COc1cccc(c1)CNC(=O)N(C(C(=O)[O-])(C)C)O)/CCC=C(C)C" . "NOJVBPONEXVKGV-SFQUDFHCSA-M" . "InChI=1S/C22H32N2O5/c1-16(2)8-6-9-17(3)12-13-29-19-11-7-10-18(14-19)15-23-21(27)24(28)22(4,5)20(25)26/h7-8,10-12,14,28H,6,9,13,15H2,1-5H3,(H,23,27)(H,25,26)/p-1/b17-12+" . "CC(=CCCCC(S(=O)(=O)[O-])P(=O)([O-])[O-])CCC=C(CCC=C(C)C)C" . "C/C(=C/CCCC(S(=O)(=O)[O-])P(=O)([O-])[O-])/CC/C=C(/CCC=C(C)C)/C" . "GAGCDEGBGYUQJJ-QKXOVSGLSA-K" . "InChI=1S/C18H33O6PS/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18(25(19,20)21)26(22,23)24/h9-10,13,18H,5-8,11-12,14H2,1-4H3,(H2,19,20,21)(H,22,23,24)/p-3/b16-10+,17-13+" . "[O-]P(=O)(C(S(=O)(=O)[O-])CCCc1cccc(c1)Oc1ccccc1Cc1ccccc1)[O-]" . "[O-]P(=O)(C(S(=O)(=O)[O-])CCCc1cccc(c1)Oc1ccccc1Cc1ccccc1)[O-]" . "ZMOCESLEEQXYRI-UHFFFAOYSA-K" . "InChI=1S/C23H25O7PS/c24-31(25,26)23(32(27,28)29)15-7-11-19-10-6-13-21(17-19)30-22-14-5-4-12-20(22)16-18-8-2-1-3-9-18/h1-6,8-10,12-14,17,23H,7,11,15-16H2,(H2,24,25,26)(H,27,28,29)/p-3" . "O=C(C(P(=O)(O)O)(C)C)NCCCc1cccc(c1)Oc1ccccc1" . "O=C(C(P(=O)(O)O)(C)C)NCCCc1cccc(c1)Oc1ccccc1" . "AGJZDRXKAQZWEP-UHFFFAOYSA-N" . "InChI=1S/C19H24NO5P/c1-19(2,26(22,23)24)18(21)20-13-7-9-15-8-6-12-17(14-15)25-16-10-4-3-5-11-16/h3-6,8,10-12,14H,7,9,13H2,1-2H3,(H,20,21)(H2,22,23,24)" . "FC(c1ccc(cc1)c1ccc(cc1)CCCC(P(=O)([O-])[O-])P(=O)([O-])[O-])(F)F" . "FC(c1ccc(cc1)c1ccc(cc1)CCCC(P(=O)([O-])[O-])P(=O)([O-])[O-])(F)F" . "UPZLJSDZIBONGH-UHFFFAOYSA-J" . "InChI=1S/C17H19F3O6P2/c18-17(19,20)15-10-8-14(9-11-15)13-6-4-12(5-7-13)2-1-3-16(27(21,22)23)28(24,25)26/h4-11,16H,1-3H2,(H2,21,22,23)(H2,24,25,26)/p-4" . "[O-]P(=O)(C(S(=O)(=O)[O-])Cc1cccc(c1)Oc1ccccc1)[O-]" . "[O-]P(=O)(C(S(=O)(=O)[O-])Cc1cccc(c1)Oc1ccccc1)[O-]" . "QZTDQEVQGQAOKB-UHFFFAOYSA-K" . "InChI=1S/C14H15O7PS/c15-22(16,17)14(23(18,19)20)10-11-5-4-8-13(9-11)21-12-6-2-1-3-7-12/h1-9,14H,10H2,(H2,15,16,17)(H,18,19,20)/p-3" . "CCn1c2ccc(cc2c2c1cccc2)CCCC(S(=O)(=O)[O-])P(=O)([O-])[O-]" . "CCn1c2ccc(cc2c2c1cccc2)CCCC(S(=O)(=O)[O-])P(=O)([O-])[O-]" . "ZZMVEURNXXVJQQ-UHFFFAOYSA-K" . "InChI=1S/C18H22NO6PS/c1-2-19-16-8-4-3-7-14(16)15-12-13(10-11-17(15)19)6-5-9-18(26(20,21)22)27(23,24)25/h3-4,7-8,10-12,18H,2,5-6,9H2,1H3,(H2,20,21,22)(H,23,24,25)/p-3" . "[O-]P(=O)(C(S(=O)(=O)[O-])CCCc1cccc(c1)Oc1ccc2c(c1)cco2)[O-]" . "[O-]P(=O)(C(S(=O)(=O)[O-])CCCc1cccc(c1)Oc1ccc2c(c1)cco2)[O-]" . "ILJWMHLLBUNHIQ-UHFFFAOYSA-K" . "InChI=1S/C18H19O8PS/c19-27(20,21)18(28(22,23)24)6-2-4-13-3-1-5-15(11-13)26-16-7-8-17-14(12-16)9-10-25-17/h1,3,5,7-12,18H,2,4,6H2,(H2,19,20,21)(H,22,23,24)/p-3" . "Fc1ccc(cc1)Oc1ccc(c(c1)CCCC(S(=O)(=O)[O-])P(=O)([O-])[O-])F" . "Fc1ccc(cc1)Oc1ccc(c(c1)CCCC(S(=O)(=O)[O-])P(=O)([O-])[O-])F" . "GNVJUODFQNFGPT-UHFFFAOYSA-K" . "InChI=1S/C16H17F2O7PS/c17-12-4-6-13(7-5-12)25-14-8-9-15(18)11(10-14)2-1-3-16(26(19,20)21)27(22,23)24/h4-10,16H,1-3H2,(H2,19,20,21)(H,22,23,24)/p-3" . "O=C(CP(=O)(O)O)NCCCc1cccc(c1)Oc1ccccc1" . "O=C(CP(=O)(O)O)NCCCc1cccc(c1)Oc1ccccc1" . "GNETVUVZFYJATO-UHFFFAOYSA-N" . "InChI=1S/C17H20NO5P/c19-17(13-24(20,21)22)18-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,18,19)(H2,20,21,22)" . "ONC(=O)C(P(=O)(O)O)CCCc1cccc(c1)Oc1ccccc1" . "ONC(=O)C(P(=O)(O)O)CCCc1cccc(c1)Oc1ccccc1" . "HGDWHTASNMRJMP-UHFFFAOYSA-N" . "InChI=1S/C17H20NO6P/c19-17(18-20)16(25(21,22)23)11-5-7-13-6-4-10-15(12-13)24-14-8-2-1-3-9-14/h1-4,6,8-10,12,16,20H,5,7,11H2,(H,18,19)(H2,21,22,23)" . "Fc1ccccc1Oc1cccc(c1)CCCC(S(=O)(=O)[O-])P(=O)([O-])[O-]" . "Fc1ccccc1Oc1cccc(c1)CCCC(S(=O)(=O)[O-])P(=O)([O-])[O-]" . "OHYIVSIWKOMZPF-UHFFFAOYSA-K" . "InChI=1S/C16H18FO7PS/c17-14-8-1-2-9-15(14)24-13-7-3-5-12(11-13)6-4-10-16(25(18,19)20)26(21,22)23/h1-3,5,7-9,11,16H,4,6,10H2,(H2,18,19,20)(H,21,22,23)/p-3" . "CC(=O)OC(C(Cc1ccccc1)C)C(=C)CCC12OC(C(=O)O)C(C(O1)(C(C2O)OCCCCCCCCCCCOc1ccccc1)C(=O)O)(O)C(=O)O" . "CC(=O)O[C@@H]([C@@H](Cc1ccccc1)C)C(=C)CCC12OC(C(=O)O)C(C(O1)([C@@H]([C@H]2O)OCCCCCCCCCCCOc1ccccc1)C(=O)O)(O)C(=O)O" . "QBTROWHSMGZXCV-RQURQNPSSA-N" . "InChI=1S/C42H56O14/c1-28(33(54-30(3)43)29(2)27-31-19-13-11-14-20-31)23-24-40-34(44)35(42(56-40,39(49)50)41(51,38(47)48)36(55-40)37(45)46)53-26-18-10-8-6-4-5-7-9-17-25-52-32-21-15-12-16-22-32/h11-16,19-22,29,33-36,44,51H,1,4-10,17-18,23-27H2,2-3H3,(H,45,46)(H,47,48)(H,49,50)/t29-,33-,34-,35-,36?,40?,41?,42?/m1/s1" . "CC(CCCc1ccccc1)C=CCCC(=O)OC1C(O)C2(OC1(C(=O)O)C(O)(C(=O)O)C(O2)C(=O)O)CCCCC(Cc1ccccc1)C" . "CC(CCCc1ccccc1)/C=C/CCC(=O)O[C@@H]1[C@@H](O)C2(OC1(C(=O)O)C(O)(C(=O)O)C(O2)C(=O)O)CCCCC(Cc1ccccc1)C" . "ZOTNYZYRJOAANS-OIAIRNFISA-N" . "InChI=1S/C38H48O12/c1-25(16-13-21-27-17-5-3-6-18-27)14-9-10-22-29(39)48-31-30(40)36(23-12-11-15-26(2)24-28-19-7-4-8-20-28)49-32(33(41)42)37(47,34(43)44)38(31,50-36)35(45)46/h3-9,14,17-20,25-26,30-32,40,47H,10-13,15-16,21-24H2,1-2H3,(H,41,42)(H,43,44)(H,45,46)/b14-9+/t25?,26?,30-,31-,32?,36?,37?,38?/m1/s1" . "CC(=O)OC(C(Cc1ccccc1)C)C(=C)CCC12OC(C(=O)O)C(C(O1)(C(C2O)OC(=O)CCCCCCCCCCOc1ccccc1)C(=O)O)(O)C(=O)O" . "CC(=O)O[C@@H]([C@@H](Cc1ccccc1)C)C(=C)CCC12OC(C(=O)O)C(C(O1)([C@@H]([C@H]2O)OC(=O)CCCCCCCCCCOc1ccccc1)C(=O)O)(O)C(=O)O" . "MNIPVWXWSPXERA-IDNZQHFXSA-N" . "InChI=1S/C42H54O15/c1-27(33(54-29(3)43)28(2)26-30-18-12-10-13-19-30)23-24-40-34(45)35(42(57-40,39(50)51)41(52,38(48)49)36(56-40)37(46)47)55-32(44)22-16-8-6-4-5-7-9-17-25-53-31-20-14-11-15-21-31/h10-15,18-21,28,33-36,45,52H,1,4-9,16-17,22-26H2,2-3H3,(H,46,47)(H,48,49)(H,50,51)/t28-,33-,34-,35-,36?,40?,41?,42?/m1/s1" . "C=CCc1cc(ccc1OCCCNC(C)C)c1ccccc1" . "C=CCc1cc(ccc1OCCCNC(C)C)c1ccccc1" . "CKIDETHAWPUGOQ-UHFFFAOYSA-N" . "InChI=1S/C21H27NO/c1-4-9-20-16-19(18-10-6-5-7-11-18)12-13-21(20)23-15-8-14-22-17(2)3/h4-7,10-13,16-17,22H,1,8-9,14-15H2,2-3H3" . "C=CCc1cc(OCCCC)ccc1OCCCNC(C)C" . "C=CCc1cc(OCCCC)ccc1OCCCNC(C)C" . "BLGFFZRIKMFSOM-UHFFFAOYSA-N" . "InChI=1S/C19H31NO2/c1-5-7-13-21-18-10-11-19(17(15-18)9-6-2)22-14-8-12-20-16(3)4/h6,10-11,15-16,20H,2,5,7-9,12-14H2,1,3-4H3" . "C=CCc1cc(CON=CC)ccc1OCCCNC(C)C" . "C=CCc1cc(CO/N=C/C)ccc1OCCCNC(C)C" . "RLGKAOYAKHPRMW-CGOBSMCZSA-N" . "InChI=1S/C18H28N2O2/c1-5-8-17-13-16(14-22-20-6-2)9-10-18(17)21-12-7-11-19-15(3)4/h5-6,9-10,13,15,19H,1,7-8,11-12,14H2,2-4H3/b20-6+" . "C=CCc1cc(ccc1OCCCNC(C)C)OC(=O)CC" . "C=CCc1cc(ccc1OCCCNC(C)C)OC(=O)CC" . "TYOWLIKQVJJCEX-UHFFFAOYSA-N" . "InChI=1S/C18H27NO3/c1-5-8-15-13-16(22-18(20)6-2)9-10-17(15)21-12-7-11-19-14(3)4/h5,9-10,13-14,19H,1,6-8,11-12H2,2-4H3" . "COc1cccc(c1OC)C1OC(CC(=O)NCCC(=O)O)C(=O)N(c2c1cc(Cl)cc2)CC(CO)(C)C" . "COc1cccc(c1OC)[C@H]1O[C@H](CC(=O)NCCC(=O)O)C(=O)N(c2c1cc(Cl)cc2)CC(CO)(C)C" . "PILXQRRCKWZQCO-ZJSXRUAMSA-N" . "InChI=1S/C27H33ClN2O8/c1-27(2,15-31)14-30-19-9-8-16(28)12-18(19)24(17-6-5-7-20(36-3)25(17)37-4)38-21(26(30)35)13-22(32)29-11-10-23(33)34/h5-9,12,21,24,31H,10-11,13-15H2,1-4H3,(H,29,32)(H,33,34)/t21-,24-/m1/s1" . "CC(CC(=O)O)CC(=O)NC(C(Cc1ccc(c(c1)Cl)Cl)C=Cc1ccc2c(c1)cccc2)C" . "C[C@@H](CC(=O)O)CC(=O)N[C@H]([C@@H](Cc1ccc(c(c1)Cl)Cl)/C=C/c1ccc2c(c1)cccc2)C" . "LVRZMZFXRFKCCY-KSYFVSBMSA-N" . "InChI=1S/C28H29Cl2NO3/c1-18(14-28(33)34)13-27(32)31-19(2)23(16-21-9-12-25(29)26(30)17-21)11-8-20-7-10-22-5-3-4-6-24(22)15-20/h3-12,15,17-19,23H,13-14,16H2,1-2H3,(H,31,32)(H,33,34)/b11-8+/t18-,19+,23-/m1/s1" . "CN(CCC=C(CCC=C(C)C)C)C=NCC=C(CCC=C(CCC=C(C)C)C)C" . "CN(CC/C=C(/CCC=C(C)C)/C)/C=N/C/C=C(/CC/C=C(/CCC=C(C)C)/C)/C" . "PYSOMVKWLNTIIA-IMGWONPXSA-N" . "InChI=1S/C28H48N2/c1-24(2)13-9-15-26(5)17-11-18-28(7)20-21-29-23-30(8)22-12-19-27(6)16-10-14-25(3)4/h13-14,17,19-20,23H,9-12,15-16,18,21-22H2,1-8H3/b26-17+,27-19+,28-20+,29-23+" . "CCN(Cc1cccc(c1)OC[Si](c1ccc(cc1)C#N)(C)C)CC=CC#CC(C)(C)C" . "CCN(Cc1cccc(c1)OC[Si](c1ccc(cc1)C#N)(C)C)C/C=C/C#CC(C)(C)C" . "LIDUGWDLSDKCLM-CSKARUKUSA-N" . "InChI=1S/C28H36N2OSi/c1-7-30(19-10-8-9-18-28(2,3)4)22-25-12-11-13-26(20-25)31-23-32(5,6)27-16-14-24(21-29)15-17-27/h8,10-17,20H,7,19,22-23H2,1-6H3/b10-8+" . "CCC(CC(C=CC(=O)OCC1(OC(CCC(=C)C(C(Cc2ccccc2)C)OC(=O)C)(OC(C1(O)C(=O)O)C(=O)O)C(=O)N)C(=O)O)C)C" . "CC[C@@H](C[C@@H](/C=C/C(=O)OC[C@]1(O[C@](CCC(=C)[C@H]([C@@H](Cc2ccccc2)C)OC(=O)C)(O[C@@H]([C@@]1(O)C(=O)O)C(=O)O)C(=O)N)C(=O)O)C)C" . "TWYYFYNJOJGNFP-CUXYNZQBSA-N" . "InChI=1S/C35H47NO14/c1-7-20(2)17-21(3)13-14-26(38)47-19-33(31(42)43)35(46,32(44)45)28(29(39)40)49-34(50-33,30(36)41)16-15-22(4)27(48-24(6)37)23(5)18-25-11-9-8-10-12-25/h8-14,20-21,23,27-28,46H,4,7,15-19H2,1-3,5-6H3,(H2,36,41)(H,39,40)(H,42,43)(H,44,45)/b14-13+/t20-,21+,23+,27+,28+,33-,34-,35+/m0/s1" . "CCCN(C(=O)C1CC(C(C1C(=O)O)(CC(=O)O)C(=O)O)C(=O)N(Cc1ccc(cc1)Oc1ccccc1)CCC)Cc1ccc(cc1)Oc1ccccc1" . "CCCN(C(=O)[C@H]1C[C@H]([C@]([C@H]1C(=O)O)(CC(=O)O)C(=O)O)C(=O)N(Cc1ccc(cc1)Oc1ccccc1)CCC)Cc1ccc(cc1)Oc1ccccc1" . "SZUVGFMDDVSKSI-WIFOCOSTSA-N" . "InChI=1S/C43H46N2O10/c1-3-23-44(27-29-15-19-33(20-16-29)54-31-11-7-5-8-12-31)39(48)35-25-36(43(42(52)53,26-37(46)47)38(35)41(50)51)40(49)45(24-4-2)28-30-17-21-34(22-18-30)55-32-13-9-6-10-14-32/h5-22,35-36,38H,3-4,23-28H2,1-2H3,(H,46,47)(H,50,51)(H,52,53)/t35-,36-,38+,43-/m0/s1" . "CCOC(=O)CCc1ccc(c(c1)CC=C)C#CC1(O)CN2CCC1CC2" . "CCOC(=O)CCc1ccc(c(c1)CC=C)C#CC1(O)CN2CCC1CC2" . "FBPJEWKDFUWVKV-UHFFFAOYSA-N" . "InChI=1S/C23H29NO3/c1-3-5-20-16-18(7-9-22(25)27-4-2)6-8-19(20)10-13-23(26)17-24-14-11-21(23)12-15-24/h3,6,8,16,21,26H,1,4-5,7,9,11-12,14-15,17H2,2H3" . "COC1CN(CC1O)c1ccc(c(n1)Cc1ccccc1)C#CC1(O)CN2CCC1CC2" . "CO[C@@H]1CN(C[C@@H]1O)c1ccc(c(n1)Cc1ccccc1)C#C[C@]1(O)CN2CCC1CC2" . "NDEOTZXSBKCQLS-GSLIJJQTSA-N" . "InChI=1S/C26H31N3O3/c1-32-24-17-29(16-23(24)30)25-8-7-20(22(27-25)15-19-5-3-2-4-6-19)9-12-26(31)18-28-13-10-21(26)11-14-28/h2-8,21,23-24,30-31H,10-11,13-18H2,1H3/t23-,24+,26-/m0/s1" . "CCN(Cc1cccc(c1)OCc1scc(c1)c1cscc1)CC=CC#CC(C)(C)C" . "CCN(Cc1cccc(c1)OCc1scc(c1)c1cscc1)C/C=C/C#CC(C)(C)C" . "KIRGLCXNEVICOG-SOFGYWHQSA-N" . "InChI=1S/C27H31NOS2/c1-5-28(14-8-6-7-13-27(2,3)4)18-22-10-9-11-25(16-22)29-19-26-17-24(21-31-26)23-12-15-30-20-23/h6,8-12,15-17,20-21H,5,14,18-19H2,1-4H3/b8-6+" . "OC1(CN2CCC1CC2)c1ccc(cc1)c1ccccc1" . "OC1(CN2CCC1CC2)c1ccc(cc1)c1ccccc1" . "WPCQYFUQHBLGAX-UHFFFAOYSA-N" . "InChI=1S/C19H21NO/c21-19(14-20-12-10-18(19)11-13-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18,21H,10-14H2" . "CC(=CCCCC(P(=O)(O)O)P(=O)(O)O)CCC=C(C)C" . "C/C(=C/CCCC(P(=O)(O)O)P(=O)(O)O)/CCC=C(C)C" . "ISMDHWZGHKZNRH-XYOKQWHBSA-N" . "InChI=1S/C13H26O6P2/c1-11(2)7-6-9-12(3)8-4-5-10-13(20(14,15)16)21(17,18)19/h7-8,13H,4-6,9-10H2,1-3H3,(H2,14,15,16)(H2,17,18,19)/b12-8+" . "CC(=CCNCc1cccnc1)CCC=C(CCC=C(C)C)C" . "C/C(=C/CNCc1cccnc1)/CC/C=C(/CCC=C(C)C)/C" . "LOBKJLMNXXPMNQ-OPBVARBZSA-N" . "InChI=1S/C21H32N2/c1-18(2)8-5-9-19(3)10-6-11-20(4)13-15-23-17-21-12-7-14-22-16-21/h7-8,10,12-14,16,23H,5-6,9,11,15,17H2,1-4H3/b19-10+,20-13+" . "CCCCN(C(=O)C1C(C(=O)O)C(C1C(=O)N(Cc1ccc(cc1)Oc1ccccc1)CCCC)C(=O)O)Cc1ccc(cc1)Oc1ccccc1" . "CCCCN(C(=O)[C@@H]1[C@H](C(=O)O)[C@H]([C@H]1C(=O)N(Cc1ccc(cc1)Oc1ccccc1)CCCC)C(=O)O)Cc1ccc(cc1)Oc1ccccc1" . "GNPHAOQLHRZODS-ZQWQDMLBSA-N" . "InChI=1S/C42H46N2O8/c1-3-5-25-43(27-29-17-21-33(22-18-29)51-31-13-9-7-10-14-31)39(45)35-36(38(42(49)50)37(35)41(47)48)40(46)44(26-6-4-2)28-30-19-23-34(24-20-30)52-32-15-11-8-12-16-32/h7-24,35-38H,3-6,25-28H2,1-2H3,(H,47,48)(H,49,50)/t35-,36-,37-,38-/m0/s1" . "CC(CN(C(=O)C1C(C(=O)O)C(C1C(=O)N(Cc1ccc(cc1)Oc1ccccc1)CC(C)C)C(=O)O)Cc1ccc(cc1)Oc1ccccc1)C" . "CC(CN(C(=O)[C@@H]1[C@H](C(=O)O)[C@H]([C@H]1C(=O)N(Cc1ccc(cc1)Oc1ccccc1)CC(C)C)C(=O)O)Cc1ccc(cc1)Oc1ccccc1)C" . "ZXCUOCHXNYWBBG-ZQWQDMLBSA-N" . "InChI=1S/C42H46N2O8/c1-27(2)23-43(25-29-15-19-33(20-16-29)51-31-11-7-5-8-12-31)39(45)35-36(38(42(49)50)37(35)41(47)48)40(46)44(24-28(3)4)26-30-17-21-34(22-18-30)52-32-13-9-6-10-14-32/h5-22,27-28,35-38H,23-26H2,1-4H3,(H,47,48)(H,49,50)/t35-,36-,37-,38-/m0/s1" . "CC(c1ccccc1)CNCCOc1ccc(cc1)OCc1ccccc1" . "CC(c1ccccc1)CNCCOc1ccc(cc1)OCc1ccccc1" . "MDMYMJUIQIOGGF-UHFFFAOYSA-N" . "InChI=1S/C24H27NO2/c1-20(22-10-6-3-7-11-22)18-25-16-17-26-23-12-14-24(15-13-23)27-19-21-8-4-2-5-9-21/h2-15,20,25H,16-19H2,1H3" . "CCOC(=O)c1ccc(cc1)OCC(CNC(C)C)O" . "CCOC(=O)c1ccc(cc1)OCC(CNC(C)C)O" . "SLTRHTRCERUIHA-UHFFFAOYSA-N" . "InChI=1S/C15H23NO4/c1-4-19-15(18)12-5-7-14(8-6-12)20-10-13(17)9-16-11(2)3/h5-8,11,13,16-17H,4,9-10H2,1-3H3" . "OC1(CN2CCC1CC2)C#Cc1ccc(cc1)c1ccccc1" . "OC1(CN2CCC1CC2)C#Cc1ccc(cc1)c1ccccc1" . "MWHQFRXYYJSIFR-UHFFFAOYSA-N" . "InChI=1S/C21H21NO/c23-21(16-22-14-11-20(21)12-15-22)13-10-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9,20,23H,11-12,14-16H2" . "c1ccc(cc1)c1ccc(cc1)C1CN2CCC1CC2" . "c1ccc(cc1)c1ccc(cc1)C1CN2CCC1CC2" . "ONKAPNPOBBUQAF-UHFFFAOYSA-N" . "InChI=1S/C19H21N/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)19-14-20-12-10-18(19)11-13-20/h1-9,18-19H,10-14H2" . "C(C1CN2CCC1CC2)Cc1ccc(cc1)c1ccccc1" . "C(C1CN2CCC1CC2)Cc1ccc(cc1)c1ccccc1" . "DZTCLALNSKOSGM-UHFFFAOYSA-N" . "InChI=1S/C21H25N/c1-2-4-18(5-3-1)19-9-6-17(7-10-19)8-11-21-16-22-14-12-20(21)13-15-22/h1-7,9-10,20-21H,8,11-16H2" . "CC(=O)OC(C(Cc1ccccc1)C)C(=C)CCC12OC(C(=O)O)C(C(O1)(C(C2O)OC(=O)OCCCCCCCCCCCOc1ccccc1)C(=O)O)(O)C(=O)O" . "CC(=O)O[C@@H]([C@@H](Cc1ccccc1)C)C(=C)CCC12OC(C(=O)O)C(C(O1)([C@@H]([C@H]2O)OC(=O)OCCCCCCCCCCCOc1ccccc1)C(=O)O)(O)C(=O)O" . "JJAXJXFYWFJTKF-BWBORTOCSA-N" . "InChI=1S/C43H56O16/c1-28(33(56-30(3)44)29(2)27-31-19-13-11-14-20-31)23-24-41-34(45)35(43(59-41,39(50)51)42(53,38(48)49)36(58-41)37(46)47)57-40(52)55-26-18-10-8-6-4-5-7-9-17-25-54-32-21-15-12-16-22-32/h11-16,19-22,29,33-36,45,53H,1,4-10,17-18,23-27H2,2-3H3,(H,46,47)(H,48,49)(H,50,51)/t29-,33-,34-,35-,36?,41?,42?,43?/m1/s1" . "CC(=O)OC(C(Cc1ccccc1)C)C(=C)CCC12OC(C(=O)O)C(C(O1)(C(C2O)OC(=O)NCCCCCCCCCCCOc1ccccc1)C(=O)O)(O)C(=O)O" . "CC(=O)O[C@@H]([C@@H](Cc1ccccc1)C)C(=C)CCC12OC(C(=O)O)C(C(O1)([C@@H]([C@H]2O)OC(=O)NCCCCCCCCCCCOc1ccccc1)C(=O)O)(O)C(=O)O" . "QOLHWXNSCZGWHK-BWBORTOCSA-N" . "InChI=1S/C43H57NO15/c1-28(33(56-30(3)45)29(2)27-31-19-13-11-14-20-31)23-24-41-34(46)35(43(59-41,39(51)52)42(54,38(49)50)36(58-41)37(47)48)57-40(53)44-25-17-9-7-5-4-6-8-10-18-26-55-32-21-15-12-16-22-32/h11-16,19-22,29,33-36,46,54H,1,4-10,17-18,23-27H2,2-3H3,(H,44,53)(H,47,48)(H,49,50)(H,51,52)/t29-,33-,34-,35-,36?,41?,42?,43?/m1/s1" . "OC(=O)c1cc(=O)c2c([nH]1)cccc2" . "OC(=O)c1cc(=O)c2c([nH]1)cccc2" . "HCZHHEIFKROPDY-UHFFFAOYSA-N" . "InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)" . "C=CCc1cc(CCCC(=O)OC)ccc1C#CC1(O)CN2CCC1CC2" . "C=CCc1cc(CCCC(=O)OC)ccc1C#CC1(O)CN2CCC1CC2" . "HHTIXSHHLJGQCQ-UHFFFAOYSA-N" . "InChI=1S/C23H29NO3/c1-3-5-20-16-18(6-4-7-22(25)27-2)8-9-19(20)10-13-23(26)17-24-14-11-21(23)12-15-24/h3,8-9,16,21,26H,1,4-7,11-12,14-15,17H2,2H3" . "CCCCCCCCCCCCCCOC1C(O)C2(OC1(C(=O)O)C(O)(C(=O)O)C(O2)C(=O)O)CCC(=C)C(C(Cc1ccccc1)C)OC(=O)C" . "CCCCCCCCCCCCCCO[C@@H]1[C@@H](O)C2(OC1(C(=O)O)C(O)(C(=O)O)C(O2)C(=O)O)CCC(=C)[C@H]([C@@H](Cc1ccccc1)C)OC(=O)C" . "UXKLQDCALAWFIU-VKNDCNMPSA-N" . "InChI=1S/C39H58O13/c1-5-6-7-8-9-10-11-12-13-14-15-19-24-49-32-31(41)37(51-33(34(42)43)38(48,35(44)45)39(32,52-37)36(46)47)23-22-26(2)30(50-28(4)40)27(3)25-29-20-17-16-18-21-29/h16-18,20-21,27,30-33,41,48H,2,5-15,19,22-25H2,1,3-4H3,(H,42,43)(H,44,45)(H,46,47)/t27-,30-,31-,32-,33?,37?,38?,39?/m1/s1" . "COc1cccc(c1OC)C1OC(CC(=O)NCC(=O)O)C(=O)N(c2c1cc(Cl)cc2)CC(CO)(C)C" . "COc1cccc(c1OC)[C@H]1O[C@H](CC(=O)NCC(=O)O)C(=O)N(c2c1cc(Cl)cc2)CC(CO)(C)C" . "CONNCFGSWRVAOP-NFBKMPQASA-N" . "InChI=1S/C26H31ClN2O8/c1-26(2,14-30)13-29-18-9-8-15(27)10-17(18)23(16-6-5-7-19(35-3)24(16)36-4)37-20(25(29)34)11-21(31)28-12-22(32)33/h5-10,20,23,30H,11-14H2,1-4H3,(H,28,31)(H,32,33)/t20-,23-/m1/s1" . "CCCCCCCCCCCCOC1C(O)C2(OC1(C(=O)O)C(O)(C(=O)O)C(O2)C(=O)O)CCC(=C)C(C(Cc1ccccc1)C)OC(=O)C" . "CCCCCCCCCCCCO[C@@H]1[C@@H](O)C2(OC1(C(=O)O)C(O)(C(=O)O)C(O2)C(=O)O)CCC(=C)[C@H]([C@@H](Cc1ccccc1)C)OC(=O)C" . "VGNCBRNRHXEODV-XXVHXNRLSA-N" . "InChI=1S/C37H54O13/c1-5-6-7-8-9-10-11-12-13-17-22-47-30-29(39)35(49-31(32(40)41)36(46,33(42)43)37(30,50-35)34(44)45)21-20-24(2)28(48-26(4)38)25(3)23-27-18-15-14-16-19-27/h14-16,18-19,25,28-31,39,46H,2,5-13,17,20-23H2,1,3-4H3,(H,40,41)(H,42,43)(H,44,45)/t25-,28-,29-,30-,31?,35?,36?,37?/m1/s1" . "CCCCCCCCCCOC(=O)OC1C(O)C2(OC1(C(=O)O)C(O)(C(=O)O)C(O2)C(=O)O)CCC(=C)C(C(Cc1ccccc1)C)OC(=O)C" . "CCCCCCCCCCOC(=O)O[C@@H]1[C@@H](O)C2(OC1(C(=O)O)C(O)(C(=O)O)C(O2)C(=O)O)CCC(=C)[C@H]([C@@H](Cc1ccccc1)C)OC(=O)C" . "PDGYNYIQKDRVIT-JCIOCXPTSA-N" . "InChI=1S/C36H50O15/c1-5-6-7-8-9-10-11-15-20-47-33(45)49-28-27(38)34(50-29(30(39)40)35(46,31(41)42)36(28,51-34)32(43)44)19-18-22(2)26(48-24(4)37)23(3)21-25-16-13-12-14-17-25/h12-14,16-17,23,26-29,38,46H,2,5-11,15,18-21H2,1,3-4H3,(H,39,40)(H,41,42)(H,43,44)/t23-,26-,27-,28-,29?,34?,35?,36?/m1/s1" . "CN1CCOC(C1)(O)c1ccc(cc1)c1cccs1" . "CN1CCOC(C1)(O)c1ccc(cc1)c1cccs1" . "KXFMAIULBLABNA-UHFFFAOYSA-N" . "InChI=1S/C15H17NO2S/c1-16-8-9-18-15(17,11-16)13-6-4-12(5-7-13)14-3-2-10-19-14/h2-7,10,17H,8-9,11H2,1H3" . "OC1(OCC2N(C1)CCCC2)c1ccc(cc1)c1cccs1" . "OC1(OCC2N(C1)CCCC2)c1ccc(cc1)c1cccs1" . "DXCCBGQUDIVOAH-UHFFFAOYSA-N" . "InChI=1S/C18H21NO2S/c20-18(13-19-10-2-1-4-16(19)12-21-18)15-8-6-14(7-9-15)17-5-3-11-22-17/h3,5-9,11,16,20H,1-2,4,10,12-13H2" . "Brc1ccc(s1)c1ccc(cc1)C1(O)OCC2N(C1)CCCC2" . "Brc1ccc(s1)c1ccc(cc1)C1(O)OCC2N(C1)CCCC2" . "NQOYZHHHGSRJGT-UHFFFAOYSA-N" . "InChI=1S/C18H20BrNO2S/c19-17-9-8-16(23-17)13-4-6-14(7-5-13)18(21)12-20-10-2-1-3-15(20)11-22-18/h4-9,15,21H,1-3,10-12H2" . "CN1CCOC(C1)(O)c1ccc(cc1)c1nc2c(s1)cccc2" . "CN1CCOC(C1)(O)c1ccc(cc1)c1nc2c(s1)cccc2" . "PJEBUKBZVKAKLF-UHFFFAOYSA-N" . "InChI=1S/C18H18N2O2S/c1-20-10-11-22-18(21,12-20)14-8-6-13(7-9-14)17-19-15-4-2-3-5-16(15)23-17/h2-9,21H,10-12H2,1H3" . "CCOC(=O)Cc1ccc(cc1)C#CC1(O)CN2CCC1CC2" . "CCOC(=O)Cc1ccc(cc1)C#CC1(O)CN2CCC1CC2" . "YWKVMGDEOUPQGN-UHFFFAOYSA-N" . "InChI=1S/C19H23NO3/c1-2-23-18(21)13-16-5-3-15(4-6-16)7-10-19(22)14-20-11-8-17(19)9-12-20/h3-6,17,22H,2,8-9,11-14H2,1H3" . "CN1CCOC(C1)(O)c1ccc(cc1)c1ccc(cc1)Br" . "CN1CCOC(C1)(O)c1ccc(cc1)c1ccc(cc1)Br" . "NALOOEVGTGAOHW-UHFFFAOYSA-N" . "InChI=1S/C17H18BrNO2/c1-19-10-11-21-17(20,12-19)15-6-2-13(3-7-15)14-4-8-16(18)9-5-14/h2-9,20H,10-12H2,1H3" . "OC1(OCC2N(C1)CCCC2)c1ccc(cc1)c1nc2c(s1)cccc2" . "OC1(OCC2N(C1)CCCC2)c1ccc(cc1)c1nc2c(s1)cccc2" . "ZTONOAATDZXAON-UHFFFAOYSA-N" . "InChI=1S/C21H22N2O2S/c24-21(14-23-12-4-3-5-17(23)13-25-21)16-10-8-15(9-11-16)20-22-18-6-1-2-7-19(18)26-20/h1-2,6-11,17,24H,3-5,12-14H2" . "Brc1ccc(cc1)c1ccc(cc1)C1(O)OCC2N(C1)CCCC2" . "Brc1ccc(cc1)c1ccc(cc1)C1(O)OCC2N(C1)CCCC2" . "IFRLXVCJEQULMZ-UHFFFAOYSA-N" . "InChI=1S/C20H22BrNO2/c21-18-10-6-16(7-11-18)15-4-8-17(9-5-15)20(23)14-22-12-2-1-3-19(22)13-24-20/h4-11,19,23H,1-3,12-14H2" . "CC(CCCc1ccccc1)C=CCCC(=O)OC1C(O)C2(OC1(C(=O)O)C(O)(C(=O)O)C(O2)C(=O)O)CCCC(C(Cc1ccccc1)C)OC(=O)C" . "C[C@H](CCCc1ccccc1)/C=C/CCC(=O)O[C@@H]1[C@@H](O)[C@@]2(O[C@@]1(C(=O)O)[C@](O)(C(=O)O)[C@H](O2)C(=O)O)CCC[C@H]([C@@H](Cc1ccccc1)C)OC(=O)C" . "KQMNJFMTGHRJHM-ZFSXNWTMSA-N" . "InChI=1S/C40H50O14/c1-25(15-12-20-28-16-6-4-7-17-28)14-10-11-22-31(42)52-33-32(43)38(53-34(35(44)45)39(50,36(46)47)40(33,54-38)37(48)49)23-13-21-30(51-27(3)41)26(2)24-29-18-8-5-9-19-29/h4-10,14,16-19,25-26,30,32-34,43,50H,11-13,15,20-24H2,1-3H3,(H,44,45)(H,46,47)(H,48,49)/b14-10+/t25-,26+,30+,32+,33+,34+,38-,39+,40-/m0/s1" . "Brc1scc(c1)C1(C)OC(=CC1=O)C(=O)O" . "Brc1scc(c1)C1(C)OC(=CC1=O)C(=O)O" . "WJDLYZAOTHNUJX-UHFFFAOYSA-N" . "InChI=1S/C10H7BrO4S/c1-10(5-2-8(11)16-4-5)7(12)3-6(15-10)9(13)14/h2-4H,1H3,(H,13,14)" . "CN1CC(O)(OC2C1CCCC2)c1ccc(cc1)c1ccc(s1)Br" . "CN1CC(O)(OC2C1CCCC2)c1ccc(cc1)c1ccc(s1)Br" . "GFRMFVSDSQREBC-UHFFFAOYSA-N" . "InChI=1S/C19H22BrNO2S/c1-21-12-19(22,23-16-5-3-2-4-15(16)21)14-8-6-13(7-9-14)17-10-11-18(20)24-17/h6-11,15-16,22H,2-5,12H2,1H3" . "CN1CC(O)(OC2C1CCCC2)c1ccc(cc1)c1ccc(cc1)Br" . "CN1CC(O)(OC2C1CCCC2)c1ccc(cc1)c1ccc(cc1)Br" . "CFDRWKHPJHJISG-UHFFFAOYSA-N" . "InChI=1S/C21H24BrNO2/c1-23-14-21(24,25-20-5-3-2-4-19(20)23)17-10-6-15(7-11-17)16-8-12-18(22)13-9-16/h6-13,19-20,24H,2-5,14H2,1H3" . "O=C(CC(C(=O)O)CC(=O)O)NC(C(c1ccc(c(c1)F)c1ccccc1)Cc1ccc(c(c1)Cl)Cl)C" . "O=C(C[C@H](C(=O)O)CC(=O)O)N[C@H]([C@H](c1ccc(c(c1)F)c1ccccc1)Cc1ccc(c(c1)Cl)Cl)C" . "NBRLADMQSZWKGO-XUEUYAKLSA-N" . "InChI=1S/C28H26Cl2FNO5/c1-16(32-26(33)14-20(28(36)37)15-27(34)35)22(11-17-7-10-23(29)24(30)12-17)19-8-9-21(25(31)13-19)18-5-3-2-4-6-18/h2-10,12-13,16,20,22H,11,14-15H2,1H3,(H,32,33)(H,34,35)(H,36,37)/t16-,20-,22+/m0/s1" . "OC(=O)CC(C(C(=O)O)CCCCCC(=CC(Cc1ccccc1)C)C)(C(=O)O)O" . "OC(=O)CC(C(C(=O)O)CCCCC/C(=C/C(Cc1ccccc1)C)/C)(C(=O)O)O" . "NLNJIEVMUWDLAZ-DTQAZKPQSA-N" . "InChI=1S/C23H32O7/c1-16(13-17(2)14-18-10-6-4-7-11-18)9-5-3-8-12-19(21(26)27)23(30,22(28)29)15-20(24)25/h4,6-7,10-11,13,17,19,30H,3,5,8-9,12,14-15H2,1-2H3,(H,24,25)(H,26,27)(H,28,29)/b16-13+" . "CC(CC(CC=Cc1ccccc1)C)CCCCCC(C(C(=O)O)(CC(=O)O)O)C(=O)O" . "CC(CC(C/C=C/c1ccccc1)C)CCCCCC(C(C(=O)O)(CC(=O)O)O)C(=O)O" . "DSEOFKAKDCUIFI-NTEUORMPSA-N" . "InChI=1S/C25H36O7/c1-18(16-19(2)11-9-14-20-12-6-4-7-13-20)10-5-3-8-15-21(23(28)29)25(32,24(30)31)17-22(26)27/h4,6-7,9,12-14,18-19,21,32H,3,5,8,10-11,15-17H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/b14-9+" . "C(NCc1ccccc1)COc1ccc(cc1)C=Cc1ccccc1" . "C(NCc1ccccc1)COc1ccc(cc1)/C=C/c1ccccc1" . "JULVVHLOSOWTHY-VAWYXSNFSA-N" . "InChI=1S/C23H23NO/c1-3-7-20(8-4-1)11-12-21-13-15-23(16-14-21)25-18-17-24-19-22-9-5-2-6-10-22/h1-16,24H,17-19H2/b12-11+" . "CC(c1ccccc1)CNCCOc1ccc(cc1)C=Cc1ccccc1" . "CC(c1ccccc1)CNCCOc1ccc(cc1)/C=C/c1ccccc1" . "WNJQYWRTNXZZRC-OUKQBFOZSA-N" . "InChI=1S/C25H27NO/c1-21(24-10-6-3-7-11-24)20-26-18-19-27-25-16-14-23(15-17-25)13-12-22-8-4-2-5-9-22/h2-17,21,26H,18-20H2,1H3/b13-12+" . "CC(=CCCC(=CCC(P(=O)([O-])[O-])P(=O)([O-])[O-])C)CCC=C(C)C" . "C/C(=C/CC/C(=C/CC(P(=O)([O-])[O-])P(=O)([O-])[O-])/C)/CCC=C(C)C" . "QBAOBDKNTDWTHR-YFVJMOTDSA-J" . "InChI=1S/C16H30O6P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(23(17,18)19)24(20,21)22/h7,9,11,16H,5-6,8,10,12H2,1-4H3,(H2,17,18,19)(H2,20,21,22)/p-4/b14-9+,15-11+" . "CC(=CCCCCCC(P(=O)(O)O)P(=O)(O)O)CCC=C(C)C" . "C/C(=C/CCCCCC(P(=O)(O)O)P(=O)(O)O)/CCC=C(C)C" . "YCVCYJHGGKYDRH-GXDHUFHOSA-N" . "InChI=1S/C15H30O6P2/c1-13(2)9-8-11-14(3)10-6-4-5-7-12-15(22(16,17)18)23(19,20)21/h9-10,15H,4-8,11-12H2,1-3H3,(H2,16,17,18)(H2,19,20,21)/b14-10+" . "[O-]P(=O)(C(P(=O)([O-])[O-])CCCc1ccc(cc1)c1ccccc1)[O-]" . "[O-]P(=O)(C(P(=O)([O-])[O-])CCCc1ccc(cc1)c1ccccc1)[O-]" . "UQVFFWAGEQWWMP-UHFFFAOYSA-J" . "InChI=1S/C16H20O6P2/c17-23(18,19)16(24(20,21)22)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-3,6-7,9-12,16H,4-5,8H2,(H2,17,18,19)(H2,20,21,22)/p-4" . "[O-]S(=O)(=O)CCCC[N+](CCCCCc1ccc(cc1)c1ccccc1)(C)C" . "[O-]S(=O)(=O)CCCC[N+](CCCCCc1ccc(cc1)c1ccccc1)(C)C" . "XPCLHFQZYFKTAI-UHFFFAOYSA-N" . "InChI=1S/C23H33NO3S/c1-24(2,19-9-10-20-28(25,26)27)18-8-4-5-11-21-14-16-23(17-15-21)22-12-6-3-7-13-22/h3,6-7,12-17H,4-5,8-11,18-20H2,1-2H3" . "C[N+](CCCCS(=O)(=O)[O-])(CCCCCCCCCc1ccccc1)C" . "C[N+](CCCCS(=O)(=O)[O-])(CCCCCCCCCc1ccccc1)C" . "MFCJHDHTDIKHEA-UHFFFAOYSA-N" . "InChI=1S/C21H37NO3S/c1-22(2,19-13-14-20-26(23,24)25)18-12-7-5-3-4-6-9-15-21-16-10-8-11-17-21/h8,10-11,16-17H,3-7,9,12-15,18-20H2,1-2H3" . "CC(=CCCCCC(P(=O)(O)O)P(=O)(O)O)CCC=C(C)C" . "C/C(=C/CCCCC(P(=O)(O)O)P(=O)(O)O)/CCC=C(C)C" . "JCYZSGYSCXRCHX-UKTHLTGXSA-N" . "InChI=1S/C14H28O6P2/c1-12(2)8-7-10-13(3)9-5-4-6-11-14(21(15,16)17)22(18,19)20/h8-9,14H,4-7,10-11H2,1-3H3,(H2,15,16,17)(H2,18,19,20)/b13-9+" . "CCCCCN(CCC(P(=O)(O)O)(P(=O)(O)O)O)C" . "CCCCCN(CCC(P(=O)(O)O)(P(=O)(O)O)O)C" . "MPBVHIBUJCELCL-UHFFFAOYSA-N" . "InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)" . "OC(=O)CC1OC(c2c(N(C1=O)CC(C)(C)C)ccc(c2)Cl)c1ccccc1Cl" . "OC(=O)CC1OC(c2c(N(C1=O)CC(C)(C)C)ccc(c2)Cl)c1ccccc1Cl" . "BHDQOMHFEOHAQK-UHFFFAOYSA-N" . "InChI=1S/C22H23Cl2NO4/c1-22(2,3)12-25-17-9-8-13(23)10-15(17)20(14-6-4-5-7-16(14)24)29-18(21(25)28)11-19(26)27/h4-10,18,20H,11-12H2,1-3H3,(H,26,27)" . "CCCC1CCC(C(C1COC(=O)C(CC)(C)C)CCC(CC(CC(=O)O)O)O)C" . "CCC[C@@H]1CC[C@@H]([C@@H]([C@H]1COC(=O)C(CC)(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C" . "OCFSRHVZSAWNAA-LPYKTLRWSA-N" . "InChI=1S/C24H44O6/c1-6-8-17-10-9-16(3)20(12-11-18(25)13-19(26)14-22(27)28)21(17)15-30-23(29)24(4,5)7-2/h16-21,25-26H,6-15H2,1-5H3,(H,27,28)/t16-,17+,18+,19+,20-,21-/m0/s1" . "OC(=O)c1cccnc1" . "OC(=O)c1cccnc1" . "PVNIIMVLHYAWGP-UHFFFAOYSA-N" . "InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)" . "CCC(CC(C=CC(=O)OC1C(O)C2(OC1(C(=O)O)C(O)(C(=O)O)C(O2)C(=O)O)CCC(=C)C(C(Cc1ccccc1)C)OC(=O)C)C)C" . "CC[C@@H](C[C@@H](/C=C/C(=O)O[C@@H]1[C@@H](O)[C@@]2(O[C@@]1(C(=O)O)[C@](O)(C(=O)O)[C@H](O2)C(=O)O)CCC(=C)[C@H]([C@@H](Cc1ccccc1)C)OC(=O)C)C)C" . "DFKDOZMCHOGOBR-NCSQYGPNSA-N" . "InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1" . "OCCC(CC(=O)O)(O)C" . "OCCC(CC(=O)O)(O)C" . "KJTLQQUUPVSXIM-UHFFFAOYSA-N" . "InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)" . "OC(=O)CC(CCOP(=O)(OP(=O)(O)O)O)(O)C" . "OC(=O)CC(CCOP(=O)(OP(=O)(O)O)O)(O)C" . "SIGQQUBJQXSAMW-UHFFFAOYSA-N" . "InChI=1S/C6H14O10P2/c1-6(9,4-5(7)8)2-3-15-18(13,14)16-17(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H,13,14)(H2,10,11,12)" . "CC(=CCCC=C(CCC=C(CCC=C(C)C)C)C)CCC=C(CCC=C(C)C)C" . "C/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)/C)/C)/CC/C=C(/CCC=C(C)C)/C" . "YYGNTYWPHWGJRM-AAJYLUCBSA-N" . "InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+" . "CC(=CCCC(=CC1C(C1(C)CCC=C(CCC=C(C)C)C)COP(=O)(OP(=O)(O)O)O)C)CCC=C(C)C" . "C/C(=C/CC/C(=C/[C@H]1[C@@H]([C@@]1(C)CC/C=C(/CCC=C(C)C)/C)COP(=O)(OP(=O)(O)O)O)/C)/CCC=C(C)C" . "ATZKAUGGNMSCCY-VYCBRMPGSA-N" . "InChI=1S/C30H52O7P2/c1-23(2)13-9-15-25(5)17-11-18-27(7)21-28-29(22-36-39(34,35)37-38(31,32)33)30(28,8)20-12-19-26(6)16-10-14-24(3)4/h13-14,17,19,21,28-29H,9-12,15-16,18,20,22H2,1-8H3,(H,34,35)(H2,31,32,33)/b25-17+,26-19+,27-21+/t28-,29-,30-/m0/s1" . "CC(=CCCC(=CCOP(=O)(OP(=O)(O)O)O)C)CCC=C(CCC=C(C)C)C" . "C/C(=C/CC/C(=C/COP(=O)(OP(=O)(O)O)O)/C)/CC/C=C(/CCC=C(C)C)/C" . "OINNEUNVOZHBOX-QIRCYJPOSA-N" . "InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+,20-15+" . "CC(=CCOP(=O)(OP(=O)(O)O)O)CCC=C(C)C" . "C/C(=C/COP(=O)(OP(=O)(O)O)O)/CCC=C(C)C" . "GVVPGTZRZFNKDS-JXMROGBWSA-N" . "InChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+" . "CC(=CCOP(=O)(OP(=O)(O)O)O)CCC=C(CCC=C(C)C)C" . "C/C(=C/COP(=O)(OP(=O)(O)O)O)/CC/C=C(/CCC=C(C)C)/C" . "VWFJDQUYCIWHTN-YFVJMOTDSA-N" . "InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+" . "CC(=CCOP(=O)(OP(=O)([O-])[O-])[O-])C" . "CC(=CCOP(=O)(OP(=O)([O-])[O-])[O-])C" . "CBIDRCWHNCKSTO-UHFFFAOYSA-K" . "InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)/p-3" . "CC(=C)CCOP(=O)(OP(=O)(O)O)O" . "CC(=C)CCOP(=O)(OP(=O)(O)O)O" . 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"O=C(NCCSC(=O)CC(=O)C)CCNC(=O)C(C(COP(=O)(OP(=O)(OCC1OC(C(C1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O" . "O=C(NCCSC(=O)CC(=O)C)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O" . "OJFDKHTZOUZBOS-CITAKDKDSA-N" . "InChI=1S/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18-,19-,20+,24-/m1/s1" . "O=C(NCCSC(=O)C)CCNC(=O)C(C(COP(=O)(OP(=O)(OCC1OC(C(C1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O" . "O=C(NCCSC(=O)C)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O" . "ZSLZBFCDCINBPY-ZSJPKINUSA-N" . "InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1" . "CCC(C(=O)OC1CC(C)C=C2C1C(CCC(CC(CC(=O)O)O)O)C(C=C2)C)(C)C" . "CCC(C(=O)O[C@H]1C[C@@H](C)C=C2[C@H]1[C@@H](CC[C@H](C[C@H](CC(=O)O)O)O)[C@H](C=C2)C)(C)C" . "XWLXKKNPFMNSFA-HGQWONQESA-N" . "InChI=1S/C25H40O6/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29)/t15-,16-,18+,19+,20-,21-,23-/m0/s1" . "OC1CC(=O)OC(C1)C=CC1=C(CC(CC1(C)C)(C)C)c1ccc(c(c1)C)F" . "O[C@@H]1CC(=O)O[C@H](C1)/C=C/C1=C(CC(CC1(C)C)(C)C)c1ccc(c(c1)C)F" . "VDSBXXDKCUBMQC-VUOWKATKSA-N" . "InChI=1S/C24H31FO3/c1-15-10-16(6-9-21(15)25)19-13-23(2,3)14-24(4,5)20(19)8-7-18-11-17(26)12-22(27)28-18/h6-10,17-18,26H,11-14H2,1-5H3/b8-7+/t17-,18-/m0/s1" . "OC(CC(C=Cc1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1)O)CC(=O)O" . "O[C@H](C[C@@H](/C=C/c1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1)O)CC(=O)O" . "VGYFMXBACGZSIL-MCBHFWOFSA-N" . "InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/b12-11+/t18-,19-/m1/s1" . "CCC(C(=O)OC1CCC=C2C1C(CCC1CC(O)CC(=O)O1)C(C=C2)C)C" . "CC[C@@H](C(=O)O[C@H]1CCC=C2[C@H]1[C@@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@H](C=C2)C)C" . "AJLFOPYRIVGYMJ-INTXDZFKSA-N" . "InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1" . "CCC(C(=O)OC1CC2C(C3C1(C)C(CCC1CC(O)CC(=O)O1)CC3)CCC1C2(C)CCC(C1)O)C" . 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"InChI=1S/C33H49NO7/c1-6-33(4,5)31(37)40-27-16-21(3)30(41-32(38)34-19-22-10-8-7-9-11-22)26-14-12-20(2)25(29(26)27)15-13-24-17-23(35)18-28(36)39-24/h7-11,20-21,23-27,29-30,35H,6,12-19H2,1-5H3,(H,34,38)/t20-,21+,23+,24?,25-,26+,27-,29?,30+/m0/s1" . "OC(=O)CCC(C(=O)O)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)N)Cc1ccc(cc1)O)C" . "OC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N)Cc1ccc(cc1)O)C" . "QKSOHTFYHNYHRK-YFVDCHTDSA-N" . "InChI=1S/C36H48N6O10/c1-20(2)30(34(49)38-21(3)31(46)39-26(36(51)52)15-16-29(44)45)41-32(47)27(19-23-11-13-24(43)14-12-23)40-33(48)28-10-7-17-42(28)35(50)25(37)18-22-8-5-4-6-9-22/h4-6,8-9,11-14,20-21,25-28,30,43H,7,10,15-19,37H2,1-3H3,(H,38,49)(H,39,46)(H,40,48)(H,41,47)(H,44,45)(H,51,52)/t21-,25-,26-,27-,28-,30-/m0/s1" . "OC(=O)CCC(C(=O)O)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(Cc1ccc(cc1)O)NC(=O)CNC(=O)C(NC(=O)C(CC(=O)O)N)Cc1ccccc1)C" . "OC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)Cc1ccccc1)C" . "RRCWAJVJCDGGKS-UQPWSHDPSA-N" . "InChI=1S/C37H49N7O13/c1-19(2)31(36(55)40-20(3)32(51)42-25(37(56)57)13-14-29(47)48)44-35(54)27(16-22-9-11-23(45)12-10-22)41-28(46)18-39-34(53)26(15-21-7-5-4-6-8-21)43-33(52)24(38)17-30(49)50/h4-12,19-20,24-27,31,45H,13-18,38H2,1-3H3,(H,39,53)(H,40,55)(H,41,46)(H,42,51)(H,43,52)(H,44,54)(H,47,48)(H,49,50)(H,56,57)/t20-,24-,25-,26-,27-,31-/m0/s1" . "OC(CC(=O)O)CC(=O)CCc1ccccc1" . "O[C@@H](CC(=O)O)CC(=O)CCc1ccccc1" . "AOBNEADIHQEJLV-GFCCVEGCSA-N" . "InChI=1S/C13H16O4/c14-11(8-12(15)9-13(16)17)7-6-10-4-2-1-3-5-10/h1-5,12,15H,6-9H2,(H,16,17)/t12-/m1/s1" . "CCc1c(c2ccc(cc2)F)c(C=CP(=O)(CC(CC(=O)[O-])O)[O-])c(nc1c1ccccc1)C(C)C" . "CCc1c(c2ccc(cc2)F)c(/C=C/P(=O)(C[C@@H](CC(=O)[O-])O)[O-])c(nc1c1ccccc1)C(C)C" . "LPNRUMVKXCLEBE-JXVRESAISA-L" . "InChI=1S/C28H31FNO5P/c1-4-23-26(19-10-12-21(29)13-11-19)24(14-15-36(34,35)17-22(31)16-25(32)33)27(18(2)3)30-28(23)20-8-6-5-7-9-20/h5-15,18,22,31H,4,16-17H2,1-3H3,(H,32,33)(H,34,35)/p-2/b15-14+/t22-/m1/s1" . "OC(CP(=O)(OCc1c(nc2c(c1c1ccc(cc1)F)CCCc1c2cccc1)C(C)C)[O-])CC(=O)[O-]" . "O[C@@H](CP(=O)(OCc1c(nc2c(c1c1ccc(cc1)F)CCCc1c2cccc1)C(C)C)[O-])CC(=O)[O-]" . "MZCZXPHMOGJQBJ-OAQYLSRUSA-L" . "InChI=1S/C28H31FNO6P/c1-17(2)27-24(15-36-37(34,35)16-21(31)14-25(32)33)26(19-10-12-20(29)13-11-19)23-9-5-7-18-6-3-4-8-22(18)28(23)30-27/h3-4,6,8,10-13,17,21,31H,5,7,9,14-16H2,1-2H3,(H,32,33)(H,34,35)/p-2/t21-/m1/s1" . "OC(CC(CC(=O)[O-])O)COc1c(cc2c(c1C(C)C)cccc2)C(c1ccc(cc1)F)c1ccc(cc1)F" . "OC(C[C@H](CC(=O)[O-])O)COc1c(cc2c(c1C(C)C)cccc2)C(c1ccc(cc1)F)c1ccc(cc1)F" . "KMUHRPGZKRKKCZ-DCWQJPKNSA-M" . "InChI=1S/C32H32F2O5/c1-19(2)30-27-6-4-3-5-22(27)15-28(32(30)39-18-26(36)16-25(35)17-29(37)38)31(20-7-11-23(33)12-8-20)21-9-13-24(34)14-10-21/h3-15,19,25-26,31,35-36H,16-18H2,1-2H3,(H,37,38)/p-1/t25-,26?/m1/s1" . "OC(CC(CC(=O)[O-])O)COc1c(cc(cc1c1ccc(cc1)F)C(C)C)C(C)C" . "OC(C[C@H](CC(=O)[O-])O)COc1c(cc(cc1c1ccc(cc1)F)C(C)C)C(C)C" . "GWJDCGLHTDEKGT-FIWHBWSRSA-M" . "InChI=1S/C24H31FO5/c1-14(2)17-9-21(15(3)4)24(22(10-17)16-5-7-18(25)8-6-16)30-13-20(27)11-19(26)12-23(28)29/h5-10,14-15,19-20,26-27H,11-13H2,1-4H3,(H,28,29)/p-1/t19-,20?/m1/s1" . "OC(CC(CC(=O)[O-])O)COc1c(cc(cc1c1ccc(cc1)F)Sc1ccc(cc1)F)C(C)C" . "OC(C[C@H](CC(=O)[O-])O)COc1c(cc(cc1c1ccc(cc1)F)Sc1ccc(cc1)F)C(C)C" . "UFSXOKMGOHBXIH-VQCQRNETSA-M" . "InChI=1S/C27H28F2O5S/c1-16(2)24-13-23(35-22-9-7-19(29)8-10-22)14-25(17-3-5-18(28)6-4-17)27(24)34-15-21(31)11-20(30)12-26(32)33/h3-10,13-14,16,20-21,30-31H,11-12,15H2,1-2H3,(H,32,33)/p-1/t20-,21?/m1/s1" . "OC(CC(CC(=O)[O-])O)COc1c(nc2c(c1C(C)C)cccc2)c1ccc(cc1)F" . "OC(C[C@H](CC(=O)[O-])O)COc1c(nc2c(c1C(C)C)cccc2)c1ccc(cc1)F" . "WFJBUGLKYOMEIA-QNSVNVJESA-M" . "InChI=1S/C24H26FNO5/c1-14(2)22-19-5-3-4-6-20(19)26-23(15-7-9-16(25)10-8-15)24(22)31-13-18(28)11-17(27)12-21(29)30/h3-10,14,17-18,27-28H,11-13H2,1-2H3,(H,29,30)/p-1/t17-,18?/m1/s1" . "CCC(C(=O)OC1CC(C)CC2C1C(CCC(=O)CC(CC(=O)O)O)C(C=C2)C)C" . "CC[C@@H](C(=O)O[C@H]1C[C@@H](C)C[C@H]2C1[C@@H](CCC(=O)C[C@H](CC(=O)O)O)[C@H](C=C2)C)C" . "OOKAZRDERJMRCJ-KOUAFAAESA-N" . "InChI=1S/C24H38O6/c1-5-15(3)24(29)30-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-18(25)12-19(26)13-22(27)28/h6-7,14-17,19-21,23,26H,5,8-13H2,1-4H3,(H,27,28)/t14-,15-,16-,17-,19+,20-,21-,23?/m0/s1" . "OC(CC(CC(=O)O)O)CCn1c(c2ccc(cc2)F)c(c(c1C(C)C)S(=O)(=O)Nc1cccc(c1)CC(=O)N)c1ccc(cc1)F" . "O[C@@H](C[C@H](CC(=O)O)O)CCn1c(c2ccc(cc2)F)c(c(c1C(C)C)S(=O)(=O)Nc1cccc(c1)CC(=O)N)c1ccc(cc1)F" . "ZXGVFUKWWWNTTQ-VSGBNLITSA-N" . "InChI=1S/C34H37F2N3O7S/c1-20(2)32-34(47(45,46)38-26-5-3-4-21(16-26)17-29(37)42)31(22-6-10-24(35)11-7-22)33(23-8-12-25(36)13-9-23)39(32)15-14-27(40)18-28(41)19-30(43)44/h3-13,16,20,27-28,38,40-41H,14-15,17-19H2,1-2H3,(H2,37,42)(H,43,44)/t27-,28-/m1/s1" . "N#Cc1ccc(cc1)CNC(=O)c1c(c2ccccc2)c(c(n1C(C)C)CCC(CC(CC(=O)[O-])O)O)c1ccc(cc1)F" . "N#Cc1ccc(cc1)CNC(=O)c1c(c2ccccc2)c(c(n1C(C)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)c1ccc(cc1)F" . "LRCUHVRZXKUPFJ-FQLXRVMXSA-M" . "InChI=1S/C35H36FN3O5/c1-22(2)39-30(17-16-28(40)18-29(41)19-31(42)43)32(26-12-14-27(36)15-13-26)33(25-6-4-3-5-7-25)34(39)35(44)38-21-24-10-8-23(20-37)9-11-24/h3-15,22,28-29,40-41H,16-19,21H2,1-2H3,(H,38,44)(H,42,43)/p-1/t28-,29-/m1/s1" . "OC(CC(CC(=O)[O-])O)CCc1c(C(C)C)c(nn1c1ccc(cc1)F)C(=O)N(C(c1ccccc1)C)C" . "O[C@@H](C[C@H](CC(=O)[O-])O)CCc1c(C(C)C)c(nn1c1ccc(cc1)F)C(=O)N([C@@H](c1ccccc1)C)C" . "MPDDTAJMJCESGV-CTUHWIOQSA-M" . "InChI=1S/C29H36FN3O5/c1-18(2)27-25(15-14-23(34)16-24(35)17-26(36)37)33(22-12-10-21(30)11-13-22)31-28(27)29(38)32(4)19(3)20-8-6-5-7-9-20/h5-13,18-19,23-24,34-35H,14-17H2,1-4H3,(H,36,37)/p-1/t19-,23-,24-/m1/s1" . "OC(CC(CC(=O)[O-])O)CCc1c(C(C)C)n(cc1c1ccc(cc1)F)C1CCCCC1" . "O[C@@H](C[C@H](CC(=O)[O-])O)CCc1c(C(C)C)n(cc1c1ccc(cc1)F)C1CCCCC1" . "RODBEKUWCLMBSW-FGZHOGPDSA-M" . "InChI=1S/C26H36FNO4/c1-17(2)26-23(13-12-21(29)14-22(30)15-25(31)32)24(18-8-10-19(27)11-9-18)16-28(26)20-6-4-3-5-7-20/h8-11,16-17,20-22,29-30H,3-7,12-15H2,1-2H3,(H,31,32)/p-1/t21-,22-/m1/s1" . "OC(CC(CC(=O)[O-])O)CCc1c(c2ccc(cc2)F)c2c(n1C(C)C)C(=O)N(CCC2)c1ccccc1" . "O[C@@H](C[C@H](CC(=O)[O-])O)CCc1c(c2ccc(cc2)F)c2c(n1C(C)C)C(=O)N(CCC2)c1ccccc1" . "OMBVEVHRIQULKW-DNQXCXABSA-M" . "InChI=1S/C30H35FN2O5/c1-19(2)33-26(15-14-23(34)17-24(35)18-27(36)37)28(20-10-12-21(31)13-11-20)25-9-6-16-32(30(38)29(25)33)22-7-4-3-5-8-22/h3-5,7-8,10-13,19,23-24,34-35H,6,9,14-18H2,1-2H3,(H,36,37)/p-1/t23-,24-/m1/s1" . "OC(CC(CC(=O)[O-])O)CCc1c(cn(c1C(C)C)c1ccccc1)c1ccc(cc1)F" . "O[C@@H](C[C@H](CC(=O)[O-])O)CCc1c(cn(c1C(C)C)c1ccccc1)c1ccc(cc1)F" . "UBFHWBHHCSSZAB-FGZHOGPDSA-M" . "InChI=1S/C26H30FNO4/c1-17(2)26-23(13-12-21(29)14-22(30)15-25(31)32)24(18-8-10-19(27)11-9-18)16-28(26)20-6-4-3-5-7-20/h3-11,16-17,21-22,29-30H,12-15H2,1-2H3,(H,31,32)/p-1/t21-,22-/m1/s1" . "OC(CC(CC(=O)[O-])O)CCc1c(C)n(c(c1c1ccc(cc1)F)C)c1ccccc1" . "O[C@@H](C[C@H](CC(=O)[O-])O)CCc1c(C)n(c(c1c1ccc(cc1)F)C)c1ccccc1" . "QKLXBIHSGMPUQS-FGZHOGPDSA-M" . "InChI=1S/C25H28FNO4/c1-16-23(13-12-21(28)14-22(29)15-24(30)31)25(18-8-10-19(26)11-9-18)17(2)27(16)20-6-4-3-5-7-20/h3-11,21-22,28-29H,12-15H2,1-2H3,(H,30,31)/p-1/t21-,22-/m1/s1" . "OC(CC(CC(=O)[O-])O)CCc1c(C)n(cc1c1ccc(cc1)F)C(C)C" . "O[C@@H](C[C@H](CC(=O)[O-])O)CCc1c(C)n(cc1c1ccc(cc1)F)C(C)C" . "LJBGBXVAGFAMLZ-QZTJIDSGSA-M" . "InChI=1S/C21H28FNO4/c1-13(2)23-12-20(15-4-6-16(22)7-5-15)19(14(23)3)9-8-17(24)10-18(25)11-21(26)27/h4-7,12-13,17-18,24-25H,8-11H2,1-3H3,(H,26,27)/p-1/t17-,18-/m1/s1" . "OC(CC(CC(=O)[O-])O)CCc1c(C(C)C)n(c(c1c1ccc(cc1)F)C)c1ccccc1" . "O[C@@H](C[C@H](CC(=O)[O-])O)CCc1c(C(C)C)n(c(c1c1ccc(cc1)F)C)c1ccccc1" . "JHURQXGATCGLIV-DHIUTWEWSA-M" . "InChI=1S/C27H32FNO4/c1-17(2)27-24(14-13-22(30)15-23(31)16-25(32)33)26(19-9-11-20(28)12-10-19)18(3)29(27)21-7-5-4-6-8-21/h4-12,17,22-23,30-31H,13-16H2,1-3H3,(H,32,33)/p-1/t22-,23-/m1/s1" . "OC(CC(CC(=O)[O-])O)CCc1c(c2ccc(cc2)F)c2c(n1C(C)C)c(=O)n(c1c2cccc1)c1cccc(c1)F" . "O[C@@H](C[C@H](CC(=O)[O-])O)CCc1c(c2ccc(cc2)F)c2c(n1C(C)C)c(=O)n(c1c2cccc1)c1cccc(c1)F" . "BJKPZWFEYXVKOA-JWQCQUIFSA-M" . "InChI=1S/C33H32F2N2O5/c1-19(2)36-28(15-14-24(38)17-25(39)18-29(40)41)30(20-10-12-21(34)13-11-20)31-26-8-3-4-9-27(26)37(33(42)32(31)36)23-7-5-6-22(35)16-23/h3-13,16,19,24-25,38-39H,14-15,17-18H2,1-2H3,(H,40,41)/p-1/t24-,25-/m1/s1" . "OC(CC(C=Cn1c(nc(c1c1ccc(cc1)F)c1ccc(cc1)F)C(C)C)O)CC(=O)O" . "O[C@H](C[C@H](/C=C/n1c(nc(c1c1ccc(cc1)F)c1ccc(cc1)F)C(C)C)O)CC(=O)O" . "GQOQQDINYJTQDY-LBNTZDJNSA-N" . "InChI=1S/C25H26F2N2O4/c1-15(2)25-28-23(16-3-7-18(26)8-4-16)24(17-5-9-19(27)10-6-17)29(25)12-11-20(30)13-21(31)14-22(32)33/h3-12,15,20-21,30-31H,13-14H2,1-2H3,(H,32,33)/b12-11+/t20-,21+/m0/s1" . "OC(CC(C=Cc1c(nc(n1c1ccc(cc1)F)c1ccccc1)C(C)C)O)CC(=O)[O-]" . "O[C@H](C[C@@H](/C=C/c1c(nc(n1c1ccc(cc1)F)c1ccccc1)C(C)C)O)CC(=O)[O-]" . "ZYZCALPXKGUGJI-DDVDASKDSA-M" . "InChI=1S/C25H27FN2O4/c1-16(2)24-22(13-12-20(29)14-21(30)15-23(31)32)28(19-10-8-18(26)9-11-19)25(27-24)17-6-4-3-5-7-17/h3-13,16,20-21,29-30H,14-15H2,1-2H3,(H,31,32)/p-1/b13-12+/t20-,21-/m1/s1" . "CCC(c1ccccc1)(c1ccc(c(c1)c1ccc(cc1)F)C=CC(CC(CC(=O)[O-])O)O)CC" . "CCC(c1ccccc1)(c1ccc(c(c1)c1ccc(cc1)F)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)CC" . "VICOOSNNZUPVHM-IGPZRPDBSA-M" . "InChI=1S/C30H33FO4/c1-3-30(4-2,23-8-6-5-7-9-23)24-14-10-21(13-17-26(32)19-27(33)20-29(34)35)28(18-24)22-11-15-25(31)16-12-22/h5-18,26-27,32-33H,3-4,19-20H2,1-2H3,(H,34,35)/p-1/b17-13+/t26-,27-/m1/s1" . "OC(CC(CC(=O)[O-])O)C=Cc1c2CCCC(c2nn1c1ccc(cc1)F)Cc1ccc(cc1)c1ccccc1" . "O[C@@H](C[C@H](CC(=O)[O-])O)/C=C/c1c2CCCC(c2nn1c1ccc(cc1)F)Cc1ccc(cc1)c1ccccc1" . "LRLBHWLNEJHHLJ-CDTDMYBXSA-M" . "InChI=1S/C33H33FN2O4/c34-26-13-15-27(16-14-26)36-31(18-17-28(37)20-29(38)21-32(39)40)30-8-4-7-25(33(30)35-36)19-22-9-11-24(12-10-22)23-5-2-1-3-6-23/h1-3,5-6,9-18,25,28-29,37-38H,4,7-8,19-21H2,(H,39,40)/p-1/b18-17+/t25?,28-,29-/m1/s1" . "OC(CC(C=Cn1c(cc(c1c1ccc(cc1)F)c1ccc(cc1)F)C(C)C)O)CC(=O)O" . "O[C@H](C[C@@H](/C=C/n1c(cc(c1c1ccc(cc1)F)c1ccc(cc1)F)C(C)C)O)CC(=O)O" . "NRLBNECCSXRCMS-CXYUPCIPSA-N" . "InChI=1S/C26H27F2NO4/c1-16(2)24-15-23(17-3-7-19(27)8-4-17)26(18-5-9-20(28)10-6-18)29(24)12-11-21(30)13-22(31)14-25(32)33/h3-12,15-16,21-22,30-31H,13-14H2,1-2H3,(H,32,33)/b12-11+/t21-,22-/m1/s1" . "OC(CC(C=Cn1c(nc(c1C(C)C)c1ccc(cc1)F)c1ccc(cc1)F)O)CC(=O)[O-]" . "O[C@H](C[C@@H](/C=C/n1c(nc(c1C(C)C)c1ccc(cc1)F)c1ccc(cc1)F)O)CC(=O)[O-]" . "TVIKMEWXHYDWEQ-LKWCPCFXSA-M" . "InChI=1S/C25H26F2N2O4/c1-15(2)24-23(16-3-7-18(26)8-4-16)28-25(17-5-9-19(27)10-6-17)29(24)12-11-20(30)13-21(31)14-22(32)33/h3-12,15,20-21,30-31H,13-14H2,1-2H3,(H,32,33)/p-1/b12-11+/t20-,21-/m1/s1" . "OC(CC(C=Cc1c(C(C)C)n(cc1c1ccc(cc1)F)C(C)C)O)CC(=O)[O-]" . "O[C@H](C[C@@H](/C=C/c1c(C(C)C)n(cc1c1ccc(cc1)F)C(C)C)O)CC(=O)[O-]" . "JNPGUXGVLNJQSQ-BGGMYYEUSA-M" . "InChI=1S/C23H30FNO4/c1-14(2)23-20(10-9-18(26)11-19(27)12-22(28)29)21(13-25(23)15(3)4)16-5-7-17(24)8-6-16/h5-10,13-15,18-19,26-27H,11-12H2,1-4H3,(H,28,29)/p-1/b10-9+/t18-,19-/m1/s1" . "OC(CC(C=Cc1c(cn(c1C(C)C)c1ccccc1)c1ccc(cc1)F)O)CC(=O)O" . "O[C@H](C[C@@H](/C=C/c1c(cn(c1C(C)C)c1ccccc1)c1ccc(cc1)F)O)CC(=O)O" . "VAVHMEQFYYBAPR-ITWZMISCSA-N" . "InChI=1S/C26H28FNO4/c1-17(2)26-23(13-12-21(29)14-22(30)15-25(31)32)24(18-8-10-19(27)11-9-18)16-28(26)20-6-4-3-5-7-20/h3-13,16-17,21-22,29-30H,14-15H2,1-2H3,(H,31,32)/b13-12+/t21-,22-/m1/s1" . "OC(CC(CC(=O)[O-])O)C=Cc1c(nc(nc1c1ccc(cc1)F)N(c1nnnn1C)C)C(C)C" . "O[C@@H](C[C@H](CC(=O)[O-])O)/C=C/c1c(nc(nc1c1ccc(cc1)F)N(c1nnnn1C)C)C(C)C" . "KOTLFRFIWUOROR-VEUZHWNKSA-M" . "InChI=1S/C23H28FN7O4/c1-13(2)20-18(10-9-16(32)11-17(33)12-19(34)35)21(14-5-7-15(24)8-6-14)26-22(25-20)30(3)23-27-28-29-31(23)4/h5-10,13,16-17,32-33H,11-12H2,1-4H3,(H,34,35)/p-1/b10-9+/t16-,17-/m1/s1" . "OC(CC(C=Cc1c(cn(c1C)c1ccccc1)c1ccc(cc1)F)O)CC(=O)[O-]" . "O[C@H](C[C@@H](/C=C/c1c(cn(c1C)c1ccccc1)c1ccc(cc1)F)O)CC(=O)[O-]" . "FQMQFMROIGKGDU-LKWCPCFXSA-M" . "InChI=1S/C24H24FNO4/c1-16-22(12-11-20(27)13-21(28)14-24(29)30)23(17-7-9-18(25)10-8-17)15-26(16)19-5-3-2-4-6-19/h2-12,15,20-21,27-28H,13-14H2,1H3,(H,29,30)/p-1/b12-11+/t20-,21-/m1/s1" . "OC(CC(C=Cn1c(nc(c1c1ccc(cc1)F)c1cccnc1)C(C)C)O)CC(=O)[O-]" . "O[C@H](C[C@@H](/C=C/n1c(nc(c1c1ccc(cc1)F)c1cccnc1)C(C)C)O)CC(=O)[O-]" . "ALLUALRNIBGJAM-MBUYQLGJSA-M" . "InChI=1S/C24H26FN3O4/c1-15(2)24-27-22(17-4-3-10-26-14-17)23(16-5-7-18(25)8-6-16)28(24)11-9-19(29)12-20(30)13-21(31)32/h3-11,14-15,19-20,29-30H,12-13H2,1-2H3,(H,31,32)/p-1/b11-9+/t19-,20-/m1/s1" . "OC(CC(C=Cc1c(nn(c1c1ccc(cc1)F)c1cnccn1)C(C)C)O)CC(=O)O" . "O[C@H](C[C@@H](/C=C/c1c(nn(c1c1ccc(cc1)F)c1cnccn1)C(C)C)O)CC(=O)O" . "DPRJPRMZJGWLHY-HNGSOEQISA-N" . "InChI=1S/C23H25FN4O4/c1-14(2)22-19(8-7-17(29)11-18(30)12-21(31)32)23(15-3-5-16(24)6-4-15)28(27-22)20-13-25-9-10-26-20/h3-10,13-14,17-18,29-30H,11-12H2,1-2H3,(H,31,32)/b8-7+/t17-,18-/m1/s1" . "OC(CC(C=Cc1c(nc2c(c1c1ccc(cc1)F)cc(cc2)Cl)C(C)C)O)CC(=O)[O-]" . "O[C@H](CC(/C=C/c1c(nc2c(c1c1ccc(cc1)F)cc(cc2)Cl)C(C)C)O)CC(=O)[O-]" . "FMCKOMPEFSASBD-FLRXWSLESA-M" . "InChI=1S/C25H25ClFNO4/c1-14(2)25-20(9-8-18(29)12-19(30)13-23(31)32)24(15-3-6-17(27)7-4-15)21-11-16(26)5-10-22(21)28-25/h3-11,14,18-19,29-30H,12-13H2,1-2H3,(H,31,32)/p-1/b9-8+/t18?,19-/m1/s1" . "OC(CC(C=Cc1c(nc(cc1c1ccc(cc1)F)C(C)(C)C)C(C)C)O)CC(=O)[O-]" . "O[C@H](CC(/C=C/c1c(nc(cc1c1ccc(cc1)F)C(C)(C)C)C(C)C)O)CC(=O)[O-]" . "SRKGZXIJDGWVAI-GVAVTCRGSA-M" . "InChI=1S/C25H32FNO4/c1-15(2)24-20(11-10-18(28)12-19(29)13-23(30)31)21(14-22(27-24)25(3,4)5)16-6-8-17(26)9-7-16/h6-11,14-15,18-19,28-29H,12-13H2,1-5H3,(H,30,31)/p-1/b11-10+/t18?,19-/m1/s1" . "OC(CC(C=CC(=C(c1ccc(cc1)F)c1ccc(cc1)F)c1nnnn1C)O)CC(=O)[O-].[Na+]" . "O[C@@H](C[C@H](/C=C/C(=C(c1ccc(cc1)F)c1ccc(cc1)F)c1nnnn1C)O)CC(=O)[O-].[Na+]" . "NTDIRNUKAZNMSW-IYVGUKHKSA-M" . "InChI=1S/C23H22F2N4O4.Na/c1-29-23(26-27-28-29)20(11-10-18(30)12-19(31)13-21(32)33)22(14-2-6-16(24)7-3-14)15-4-8-17(25)9-5-15;/h2-11,18-19,30-31H,12-13H2,1H3,(H,32,33);/q;+1/p-1/b11-10+;/t18-,19-;/m0./s1" . "CNCCC(c1cccs1)Oc1cccc2c1cccc2" . "CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2" . "ZEUITGRIYCTCEM-KRWDZBQOSA-N" . "InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1" . "NCC(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)NCC(=O)O)CC(=O)O)CC(C)C" . "NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)O)CC(=O)O)CC(C)C" . "SKODABHETMRRBC-IHRRRGAJSA-N" . "InChI=1S/C21H34N6O9/c1-11(2)6-13(25-15(28)8-22)21(36)27-5-3-4-14(27)20(35)26-12(7-17(30)31)19(34)24-9-16(29)23-10-18(32)33/h11-14H,3-10,22H2,1-2H3,(H,23,29)(H,24,34)(H,25,28)(H,26,35)(H,30,31)(H,32,33)/t12-,13-,14-/m0/s1" . "OC(=O)CC(CP(=O)(OCc1c(cc(cc1c1ccc(c(c1)C)F)C)C(C)C)O)O" . "OC(=O)C[C@@H](CP(=O)(OCc1c(cc(cc1c1ccc(c(c1)C)F)C)C(C)C)O)O" . "WHQUHTXULUACFD-KRWDZBQOSA-N" . "InChI=1S/C22H28FO6P/c1-13(2)18-7-14(3)8-19(16-5-6-21(23)15(4)9-16)20(18)11-29-30(27,28)12-17(24)10-22(25)26/h5-9,13,17,24H,10-12H2,1-4H3,(H,25,26)(H,27,28)/t17-/m0/s1" . "OC(=O)CC(CP(=O)(CCc1c(cc(cc1c1ccc(c(c1)C)F)C)C(C)C)O)O" . "OC(=O)C[C@@H](CP(=O)(CCc1c(cc(cc1c1ccc(c(c1)C)F)C)C(C)C)O)O" . "IZGDXVLRMHXOJV-SFHVURJKSA-N" . "InChI=1S/C23H30FO5P/c1-14(2)20-9-15(3)10-21(17-5-6-22(24)16(4)11-17)19(20)7-8-30(28,29)13-18(25)12-23(26)27/h5-6,9-11,14,18,25H,7-8,12-13H2,1-4H3,(H,26,27)(H,28,29)/t18-/m0/s1" . "OC(=O)CC(CP(=O)(C=CC1=C(c2ccc(cc2)F)c2c(C31CCCC3)cccc2)O)O" . "OC(=O)C[C@@H](CP(=O)(/C=C/C1=C(c2ccc(cc2)F)c2c(C31CCCC3)cccc2)O)O" . "AOSODOHQJJPEAM-VUVZNRFTSA-N" . "InChI=1S/C25H26FO5P/c26-18-9-7-17(8-10-18)24-20-5-1-2-6-21(20)25(12-3-4-13-25)22(24)11-14-32(30,31)16-19(27)15-23(28)29/h1-2,5-11,14,19,27H,3-4,12-13,15-16H2,(H,28,29)(H,30,31)/b14-11+/t19-/m0/s1" . "CCC(C(=O)OC1CC(C)C=C2C1C(CCC(CC(CC(=O)[O-])O)O)C(C=C2)C)C" . "CC[C@@H](C(=O)O[C@@H]1C[C@@H](C)C=C2C1[C@@H](CC[C@H](C[C@@H](CC(=O)[O-])O)O)[C@H](C=C2)C)C" . "QLJODMDSTUBWDW-VPUMEXOFSA-M" . "InChI=1S/C24H38O6/c1-5-15(3)24(29)30-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-18(25)12-19(26)13-22(27)28/h6-7,10,14-16,18-21,23,25-26H,5,8-9,11-13H2,1-4H3,(H,27,28)/p-1/t14-,15-,16-,18+,19-,20-,21+,23?/m0/s1" . "OC1CC(OC(=O)C1)CC1c2cc(F)ccc2c2c1c(Cl)cc(c2)Cl" . "O[C@@H]1CC(OC(=O)C1)CC1c2cc(F)ccc2c2c1c(Cl)cc(c2)Cl" . "GRRYPQNGDOCSIL-OPGSHWCFSA-N" . "InChI=1S/C19H15Cl2FO3/c20-9-3-15-13-2-1-10(22)5-14(13)16(19(15)17(21)4-9)8-12-6-11(23)7-18(24)25-12/h1-5,11-12,16,23H,6-8H2/t11-,12?,16?/m1/s1" . "OC1CC(=O)OC(C1)C=CC(=C(c1ccc(cc1)F)c1ccc(cc1)F)c1nnnn1C" . "O[C@@H]1CC(=O)O[C@H](C1)/C=C/C(=C(c1ccc(cc1)F)c1ccc(cc1)F)c1nnnn1C" . "VIMMECPCYZXUCI-MIMFYIINSA-N" . "InChI=1S/C23H20F2N4O3/c1-29-23(26-27-28-29)20(11-10-19-12-18(30)13-21(31)32-19)22(14-2-6-16(24)7-3-14)15-4-8-17(25)9-5-15/h2-11,18-19,30H,12-13H2,1H3/b11-10+/t18-,19-/m0/s1" . "OC1CC(C=Cc2c(nc(nc2c2ccc(cc2)F)C(C)C)C(C)C)OC(=O)C1" . "O[C@@H]1C[C@@H](/C=C/c2c(nc(nc2c2ccc(cc2)F)C(C)C)C(C)C)OC(=O)C1" . "UTOIEVWJKDLJGE-AQRBRUGDSA-N" . "InChI=1S/C23H27FN2O3/c1-13(2)21-19(10-9-18-11-17(27)12-20(28)29-18)22(26-23(25-21)14(3)4)15-5-7-16(24)8-6-15/h5-10,13-14,17-18,27H,11-12H2,1-4H3/b10-9+/t17-,18-/m1/s1" . "OC1CC(=O)OC(C1)C=Cc1c(nc(cc1c1ccc(cc1)F)C(C)(C)C)C(C)C" . "O[C@H]1CC(=O)OC(C1)/C=C/c1c(nc(cc1c1ccc(cc1)F)C(C)(C)C)C(C)C" . "VPMIAOSOTOODMY-KJAPKAAFSA-N" . "InChI=1S/C25H30FNO3/c1-15(2)24-20(11-10-19-12-18(28)13-23(29)30-19)21(14-22(27-24)25(3,4)5)16-6-8-17(26)9-7-16/h6-11,14-15,18-19,28H,12-13H2,1-5H3/b11-10+/t18-,19?/m1/s1" . "OC1CC(COc2c(cc(cc2c2ccc(cc2)F)C(C)C)C(C)C)OC(=O)C1" . "O[C@@H]1CC(COc2c(cc(cc2c2ccc(cc2)F)C(C)C)C(C)C)OC(=O)C1" . "JMEOINPEUMGNEF-FIWHBWSRSA-N" . "InChI=1S/C24H29FO4/c1-14(2)17-9-21(15(3)4)24(22(10-17)16-5-7-18(25)8-6-16)28-13-20-11-19(26)12-23(27)29-20/h5-10,14-15,19-20,26H,11-13H2,1-4H3/t19-,20?/m1/s1" . "CCc1nc(cc(c1CCC1CC(O)CC(=O)O1)c1ccc(cc1)F)c1ccccc1" . "CCc1nc(cc(c1CCC1C[C@@H](O)CC(=O)O1)c1ccc(cc1)F)c1ccccc1" . "PNHBRYIAJCYNDA-VQCQRNETSA-N" . "InChI=1S/C26H26FNO3/c1-2-24-22(13-12-21-14-20(29)15-26(30)31-21)23(17-8-10-19(27)11-9-17)16-25(28-24)18-6-4-3-5-7-18/h3-11,16,20-21,29H,2,12-15H2,1H3/t20-,21?/m1/s1" . "OC1CC(CCc2c(nc(cc2c2ccc(cc2)F)c2ccccc2)C(C)C)OC(=O)C1" . "O[C@@H]1CC(CCc2c(nc(cc2c2ccc(cc2)F)c2ccccc2)C(C)C)OC(=O)C1" . "QVBVQHTXLPNXEY-ZMFCMNQTSA-N" . "InChI=1S/C27H28FNO3/c1-17(2)27-23(13-12-22-14-21(30)15-26(31)32-22)24(18-8-10-20(28)11-9-18)16-25(29-27)19-6-4-3-5-7-19/h3-11,16-17,21-22,30H,12-15H2,1-2H3/t21-,22?/m1/s1" . "OC1CC(COc2c(C)cc(cc2C(C2CCCCC2)Cl)C)OC(=O)C1" . "O[C@@H]1C[C@@H](COc2c(C)cc(cc2C(C2CCCCC2)Cl)C)OC(=O)C1" . "JEIUHLQCZMJKSE-LIHHCBPRSA-N" . "InChI=1S/C21H29ClO4/c1-13-8-14(2)21(25-12-17-10-16(23)11-19(24)26-17)18(9-13)20(22)15-6-4-3-5-7-15/h8-9,15-17,20,23H,3-7,10-12H2,1-2H3/t16-,17+,20?/m1/s1" . "CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)O" . "CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COP(=O)(O)O)O" . "WRGQSWVCFNIUNZ-KTKRTIGZSA-N" . "InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-" . "OC1CC(=O)OC(C1)C=Cc1c(nc2c(c1c1ccc(cc1)F)cc(cc2)Cl)C(C)C" . "O[C@H]1CC(=O)O[C@@H](C1)/C=C/c1c(nc2c(c1c1ccc(cc1)F)cc(cc2)Cl)C(C)C" . "FRJJJAKBRKABFA-TYFAACHXSA-N" . "InChI=1S/C25H23ClFNO3/c1-14(2)25-20(9-8-19-12-18(29)13-23(30)31-19)24(15-3-6-17(27)7-4-15)21-11-16(26)5-10-22(21)28-25/h3-11,14,18-19,29H,12-13H2,1-2H3/b9-8+/t18-,19-/m1/s1" . "OC1CC(CCc2c(nn(c2c2ccc(cc2)F)c2ccc(cc2)F)C(C)C)OC(=O)C1" . "O[C@H]1C[C@H](CCc2c(nn(c2c2ccc(cc2)F)c2ccc(cc2)F)C(C)C)OC(=O)C1" . "CJOOCCJIHMSWOT-SFTDATJTSA-N" . "InChI=1S/C25H26F2N2O3/c1-15(2)24-22(12-11-21-13-20(30)14-23(31)32-21)25(16-3-5-17(26)6-4-16)29(28-24)19-9-7-18(27)8-10-19/h3-10,15,20-21,30H,11-14H2,1-2H3/t20-,21-/m0/s1" . "OC1CC(CCc2c(nn(c2c2ccc(cc2)F)Cc2ccccc2)C(C)C)OC(=O)C1" . "O[C@H]1C[C@H](CCc2c(nn(c2c2ccc(cc2)F)Cc2ccccc2)C(C)C)OC(=O)C1" . "SFTVYVGIXNZCEX-VXKWHMMOSA-N" . "InChI=1S/C26H29FN2O3/c1-17(2)25-23(13-12-22-14-21(30)15-24(31)32-22)26(19-8-10-20(27)11-9-19)29(28-25)16-18-6-4-3-5-7-18/h3-11,17,21-22,30H,12-16H2,1-2H3/t21-,22-/m0/s1" . "CCCCCCCCC#CC#CC=CCCCC(=O)O" . "CCCCCCCCC#CC#C/C=C/CCCC(=O)O" . "IGVKWAAPMVVTFX-BUHFOSPRSA-N" . "InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h13-14H,2-8,15-17H2,1H3,(H,19,20)/b14-13+" . "Cc1ccc(c(n1)N=Nc1ccccc1)O" . "Cc1ccc(c(n1)/N=N/c1ccccc1)O" . "LOCPVWIREQIGNQ-CCEZHUSRSA-N" . "InChI=1S/C12H11N3O/c1-9-7-8-11(16)12(13-9)15-14-10-5-3-2-4-6-10/h2-8,16H,1H3/b15-14+" . "OC(CC(C=CC(=C1c2ccc(cc2c2c1ccc(c2)F)F)c1nnnn1C)O)CC(=O)[O-]" . "OC(CC(/C=C/C(=C1c2ccc(cc2c2c1ccc(c2)F)F)c1nnnn1C)O)CC(=O)[O-]" . "FKJZGUOTNGCEHQ-QPJJXVBHSA-M" . "InChI=1S/C23H20F2N4O4/c1-29-23(26-27-28-29)18(7-4-14(30)10-15(31)11-21(32)33)22-16-5-2-12(24)8-19(16)20-9-13(25)3-6-17(20)22/h2-9,14-15,30-31H,10-11H2,1H3,(H,32,33)/p-1/b7-4+" . "CC(CCCC(C1CCC2(C1(C)CCC1C2=CCC2C1(C)CCC(C2(C)C)O)C(=O)C)C)C" . "CC(CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1C2=CCC2[C@]1(C)CC[C@@H](C2(C)C)O)C(=O)C)C)C" . "DZMAIPFWPZZKSY-MBDGPJGJSA-N" . "InChI=1S/C31H52O2/c1-20(2)10-9-11-21(3)23-15-19-31(22(4)32)25-12-13-26-28(5,6)27(33)16-17-29(26,7)24(25)14-18-30(23,31)8/h12,20-21,23-24,26-27,33H,9-11,13-19H2,1-8H3/t21-,23-,24?,26?,27+,29-,30-,31-/m1/s1" . "OC(=O)CC(CC(=O)O)(O)C" . "OC(=O)CC(CC(=O)O)(O)C" . "NPOAOTPXWNWTSH-UHFFFAOYSA-N" . "InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)" . "CCn1c(C(=O)NCc2ccc(cc2)C(=O)[O-])c(c(c1CCC(CC(CC(=O)[O-])O)O)c1ccc(cc1)F)C" . "CCn1c(C(=O)NCc2ccc(cc2)C(=O)[O-])c(c(c1CC[C@H](C[C@H](CC(=O)[O-])O)O)c1ccc(cc1)F)C" . "MFLMXRSHJVIMRF-DHIUTWEWSA-L" . "InChI=1S/C29H33FN2O7/c1-3-32-24(13-12-22(33)14-23(34)15-25(35)36)26(19-8-10-21(30)11-9-19)17(2)27(32)28(37)31-16-18-4-6-20(7-5-18)29(38)39/h4-11,22-23,33-34H,3,12-16H2,1-2H3,(H,31,37)(H,35,36)(H,38,39)/p-2/t22-,23-/m1/s1" . "CCCCCCCCC#CC#CC1OC1CCCC(=O)O" . "CCCCCCCCC#CC#CC1OC1CCCC(=O)O" . "XLDNBXDVNANPCY-UHFFFAOYSA-N" . "InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-11-13-16-17(21-16)14-12-15-18(19)20/h16-17H,2-8,12,14-15H2,1H3,(H,19,20)" . "OC1CC(CCn2c(C(C)C)c(c(c2c2ccc(cc2)F)c2ccccc2)C(=O)Nc2ccccc2)OC(=O)C1" . "O[C@@H]1C[C@@H](CCn2c(C(C)C)c(c(c2c2ccc(cc2)F)c2ccccc2)C(=O)Nc2ccccc2)OC(=O)C1" . "OUCSEDFVYPBLLF-KAYWLYCHSA-N" . "InChI=1S/C33H33FN2O4/c1-21(2)31-30(33(39)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-27-19-26(37)20-28(38)40-27/h3-16,21,26-27,37H,17-20H2,1-2H3,(H,35,39)/t26-,27-/m1/s1" . "COC(=O)CC(CC(C=Cn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccc(cc1)F)Br)O)O" . "COC(=O)C[C@@H](C[C@@H](/C=C/n1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccc(cc1)F)Br)O)O" . "MUTCAPXLKRYEPR-ITWZMISCSA-N" . "InChI=1S/C27H28BrF2NO4/c1-16(2)26-25(28)24(17-4-8-19(29)9-5-17)27(18-6-10-20(30)11-7-18)31(26)13-12-21(32)14-22(33)15-23(34)35-3/h4-13,16,21-22,32-33H,14-15H2,1-3H3/b13-12+/t21-,22-/m1/s1" . "CCC(C(=O)OC1CC(C)C=C2C1C(CCC1CC(O)CC(=O)O1)C(C=C2)C)(C)C" . "CCC(C(=O)O[C@H]1C[C@@H](C)C=C2[C@H]1[C@@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@H](C=C2)C)(C)C" . "RYMZZMVNJRMUDD-HGQWONQESA-N" . "InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1" . "OC(CC(CC(=O)O)O)C=Cc1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C" . "O[C@@H](C[C@H](CC(=O)O)O)/C=C/c1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C" . "BPRHUIZQVSMCRT-VEUZHWNKSA-N" . "InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1" . "CCC(C(=O)OC1CC(O)C=C2C1C(CCC(CC(CC(=O)O)O)O)C(C=C2)C)C" . "CC[C@@H](C(=O)O[C@H]1C[C@H](O)C=C2[C@H]1[C@@H](CC[C@H](C[C@H](CC(=O)O)O)O)[C@H](C=C2)C)C" . "TUZYXOIXSAXUGO-PZAWKZKUSA-N" . "InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1" . "OC(=O)CC(CC(C=Cc1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O" . "OC(=O)C[C@@H](C[C@@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O" . "FJLGEFLZQAZZCD-MCBHFWOFSA-N" . "InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m1/s1" . "COCc1c(c2ccc(cc2)F)c(C=CC(CC(CC(=O)O)O)O)c(nc1C(C)C)C(C)C" . "COCc1c(c2ccc(cc2)F)c(/C=C/[C@H](C[C@H](CC(=O)O)O)O)c(nc1C(C)C)C(C)C" . "SEERZIQQUAZTOL-ANMDKAQQSA-N" . "InChI=1S/C26H34FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32)/b11-10+/t19-,20-/m1/s1" . "OC(CC(CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1" . "O[C@@H](C[C@H](CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1" . "XUKUURHRXDUEBC-KAYWLYCHSA-N" . "InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1" . "CCCc1c(OCCCOc2cc(O)c(cc2CC)c2ccc(cc2)F)cccc1Oc1ccccc1C(=O)O" . "CCCc1c(OCCCOc2cc(O)c(cc2CC)c2ccc(cc2)F)cccc1Oc1ccccc1C(=O)O" . "YFIZRWPXUYFCSN-UHFFFAOYSA-N" . "InChI=1S/C33H33FO6/c1-3-9-25-29(12-7-13-30(25)40-31-11-6-5-10-26(31)33(36)37)38-18-8-19-39-32-21-28(35)27(20-22(32)4-2)23-14-16-24(34)17-15-23/h5-7,10-17,20-21,35H,3-4,8-9,18-19H2,1-2H3,(H,36,37)" . "Clc1cc2CCCC(c2cc1Cl)Nc1nc2c([nH]1)cccc2" . "Clc1cc2CCCC(c2cc1Cl)Nc1nc2c([nH]1)cccc2" . "JHLGZRSIUIFADK-UHFFFAOYSA-N" . "InChI=1S/C17H15Cl2N3/c18-12-8-10-4-3-7-14(11(10)9-13(12)19)20-17-21-15-5-1-2-6-16(15)22-17/h1-2,5-6,8-9,14H,3-4,7H2,(H2,20,21,22)" . "Clc1ccc2c(c1)C(C)CNCC2" . "Clc1ccc2c(c1)[C@@H](C)CNCC2" . "XTTZERNUQAFMOF-QMMMGPOBSA-N" . "InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1" . "CCCCCCCOc1ccc(cc1)CCC(COP(=O)(O)O)(N)C" . "CCCCCCCOc1ccc(cc1)CC[C@](COP(=O)(O)O)(N)C" . "NMRLBSIYIBOLLJ-GOSISDBHSA-N" . "InChI=1S/C18H32NO5P/c1-3-4-5-6-7-14-23-17-10-8-16(9-11-17)12-13-18(2,19)15-24-25(20,21)22/h8-11H,3-7,12-15,19H2,1-2H3,(H2,20,21,22)/t18-/m1/s1" . "CCCCCCCCC=CCCCCCCCC(=O)OC(COP(=O)(O)O)CO" . "CCCCCCCC/C=C/CCCCCCCC(=O)OC(COP(=O)(O)O)CO" . "ZOOLJLSXNRZLDH-KTKRTIGZSA-N" . "InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)28-20(18-22)19-27-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-" . "OC(=O)C(O)C" . "OC(=O)[C@H](O)C" . "JVTAAEKCZFNVCJ-UWTATZPHSA-N" . "InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1" . "CCCCCC(CC(=O)O)O" . "CCCCC[C@@H](CC(=O)O)O" . "NDPLAKGOSZHTPH-ZETCQYMHSA-N" . "InChI=1S/C8H16O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m0/s1" . "OC(=O)C(O)C" . "OC(=O)[C@@H](O)C" . "JVTAAEKCZFNVCJ-REOHCLBHSA-N" . "InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1" . "CCCCCCc1cccc(c1)NC(=O)C(CCP(=O)(O)O)N" . "CCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N" . "FWJRVGZWNDOOFH-OAHLLOKOSA-N" . "InChI=1S/C16H27N2O4P/c1-2-3-4-5-7-13-8-6-9-14(12-13)18-16(19)15(17)10-11-23(20,21)22/h6,8-9,12,15H,2-5,7,10-11,17H2,1H3,(H,18,19)(H2,20,21,22)/t15-/m1/s1" . "CCCCCCCCc1cccc(c1)NC(=O)C(CCP(=O)(O)O)N" . "CCCCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N" . "FMLHSOGKNHADEE-QGZVFWFLSA-N" . "InChI=1S/C18H31N2O4P/c1-2-3-4-5-6-7-9-15-10-8-11-16(14-15)20-18(21)17(19)12-13-25(22,23)24/h8,10-11,14,17H,2-7,9,12-13,19H2,1H3,(H,20,21)(H2,22,23,24)/t17-/m1/s1" . "CC(Cc1ccc(cc1)c1onc(n1)c1ccc(cc1)CN1CC(C1)C(=O)O)C" . "CC(Cc1ccc(cc1)c1onc(n1)c1ccc(cc1)CN1CC(C1)C(=O)O)C" . "SHQNRSGKLNMHOS-UHFFFAOYSA-N" . "InChI=1S/C23H25N3O3/c1-15(2)11-16-3-9-19(10-4-16)22-24-21(25-29-22)18-7-5-17(6-8-18)12-26-13-20(14-26)23(27)28/h3-10,15,20H,11-14H2,1-2H3,(H,27,28)" . "OCCNC1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)OCC)OCC" . "OCCNC1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)OCC)OCC" . "NUIKTBLZSPQGCP-UHFFFAOYSA-N" . "InChI=1S/C23H27N3O4/c1-3-28-20-11-8-15(14-21(20)29-4-2)23-25-22(26-30-23)18-7-5-6-17-16(18)9-10-19(17)24-12-13-27/h5-8,11,14,19,24,27H,3-4,9-10,12-13H2,1-2H3" . "CCOc1cc(ccc1OCC)c1onc(n1)c1ccncc1" . "CCOc1cc(ccc1OCC)c1onc(n1)c1ccncc1" . "MMKXHTDCKLZHIM-UHFFFAOYSA-N" . "InChI=1S/C17H17N3O3/c1-3-21-14-6-5-13(11-15(14)22-4-2)17-19-16(20-23-17)12-7-9-18-10-8-12/h5-11H,3-4H2,1-2H3" . "FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F" . "FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F" . "OYMNPJXKQVTQTR-UHFFFAOYSA-N" . "InChI=1S/C20H10F6N2OS/c21-19(22,23)13-8-4-7-12(9-13)17-27-18(29-28-17)15-10-14(11-5-2-1-3-6-11)16(30-15)20(24,25)26/h1-10H" . "OC(=O)CCNCc1ccc2c(c1)cc(s2)c1ccc(c(c1)C(F)(F)F)c1ccccc1" . "OC(=O)CCNCc1ccc2c(c1)cc(s2)c1ccc(c(c1)C(F)(F)F)c1ccccc1" . "SKYYWSWIUKISCX-UHFFFAOYSA-N" . "InChI=1S/C25H20F3NO2S/c26-25(27,28)21-13-18(7-8-20(21)17-4-2-1-3-5-17)23-14-19-12-16(6-9-22(19)32-23)15-29-11-10-24(30)31/h1-9,12-14,29H,10-11,15H2,(H,30,31)" . "CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N" . "CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N" . "LRFKWQGGENFBFO-UHFFFAOYSA-N" . "InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)" . "OCC(COP(=O)(O)O)(CCc1ccc(cc1Cl)Sc1cccc(c1)Oc1ccccc1)N" . "OCC(COP(=O)(O)O)(CCc1ccc(cc1Cl)Sc1cccc(c1)Oc1ccccc1)N" . "BZVUYJGCYLMFGX-UHFFFAOYSA-N" . "InChI=1S/C23H25ClNO6PS/c24-22-14-21(10-9-17(22)11-12-23(25,15-26)16-30-32(27,28)29)33-20-8-4-7-19(13-20)31-18-5-2-1-3-6-18/h1-10,13-14,26H,11-12,15-16,25H2,(H2,27,28,29)" . "CCCCCCCCCCCCCCC(C(C(COP(=O)(O)O)N)O)O" . "CCCCCCCCCCCCCC[C@H]([C@H]([C@H](COP(=O)(O)O)N)O)O" . "AYGOSKULTISFCW-KSZLIROESA-N" . "InChI=1S/C18H40NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)18(21)16(19)15-25-26(22,23)24/h16-18,20-21H,2-15,19H2,1H3,(H2,22,23,24)/t16-,17+,18-/m0/s1" . "CCCCCCCCCCCCCCCC(C(COP(=O)(O)O)N)O" . "CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)(O)O)N)O" . "YHEDRJPUIRMZMP-ZWKOTPCHSA-N" . "InChI=1S/C18H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h17-18,20H,2-16,19H2,1H3,(H2,21,22,23)/t17-,18+/m0/s1" . "OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O" . "OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O" . "WLJNZVDCPSBLRP-UHFFFAOYSA-N" . "InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)" . "O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C" . "O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C" . "RNSLRQNDXRSASX-UHFFFAOYSA-N" . "InChI=1S/C17H19Cl2N7O/c1-8(2)11-7-14(22-16-15(11)9(3)25-26(16)4)23-24-17(27)20-10-5-12(18)21-13(19)6-10/h5-8H,1-4H3,(H,22,23)(H2,20,21,24,27)" . "CCCCCCCC(=O)OCC(OC(=O)CCCCCCC)COP(=O)(OP(=O)(O)O)O" . "CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC)COP(=O)(OP(=O)(O)O)O" . "MBDSUZSCJLRKPC-QGZVFWFLSA-N" . "InChI=1S/C19H38O11P2/c1-3-5-7-9-11-13-18(20)27-15-17(16-28-32(25,26)30-31(22,23)24)29-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,25,26)(H2,22,23,24)/t17-/m1/s1" . "CCCCCCCCC=CCCCCCCCC(=O)OCC(CC(P(=O)(O)O)F)OC" . "CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](CC(P(=O)(O)O)F)OC" . "KGVHPTQYUKZZPY-VXECIVMWSA-N" . "InChI=1S/C23H44FO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(25)30-20-21(29-2)19-22(24)31(26,27)28/h10-11,21-22H,3-9,12-20H2,1-2H3,(H2,26,27,28)/b11-10+/t21-,22?/m0/s1" . "CCCCCCCCC=CCCCCCCCCOCC(COP(=S)(O)O)OC" . "CCCCCCCC/C=C/CCCCCCCCOC[C@@H](COP(=S)(O)O)OC" . "FEHMGBUAJYEJMW-YRBAHSOBSA-N" . "InChI=1S/C22H45O5PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-20-22(25-2)21-27-28(23,24)29/h10-11,22H,3-9,12-21H2,1-2H3,(H2,23,24,29)/b11-10-/t22-/m0/s1" . "CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=S)(O)O)OC" . "CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](COP(=S)(O)O)OC" . "FCVJYKICQNLXAX-XPTLAUCJSA-N" . "InChI=1S/C22H43O6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(23)27-19-21(26-2)20-28-29(24,25)30/h10-11,21H,3-9,12-20H2,1-2H3,(H2,24,25,30)/b11-10-/t21-/m0/s1" . "CC(=CCCC(=CCOP(=O)(O)O)C)CCC=C(C)C" . "C/C(=C/CC/C(=C/COP(=O)(O)O)/C)/CCC=C(C)C" . "ALEWCKXBHSDCCT-FBXUGWQNSA-N" . "InChI=1S/C15H27O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)/b14-9-,15-11-" . "CC(=CCOP(=O)(OP(=O)(O)O)O)CCC=C(CCC=C(C)C)C" . "C/C(=C/COP(=O)(OP(=O)(O)O)O)/CC/C=C(/CCC=C(C)C)/C" . "VWFJDQUYCIWHTN-FBXUGWQNSA-N" . "InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9-,15-11-" . "CCCCCCCCC=CCCCCCCCC(=O)NC(Cc1ccc(cc1)OCc1ccccc1)COP(=O)(O)O" . "CCCCCCCC/C=C/CCCCCCCC(=O)N[C@H](Cc1ccc(cc1)OCc1ccccc1)COP(=O)(O)O" . "NJLPYJKKKSBCSK-MJPIYRIWSA-N" . "InChI=1S/C34H52NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-34(36)35-32(29-41-42(37,38)39)27-30-23-25-33(26-24-30)40-28-31-20-17-16-18-21-31/h9-10,16-18,20-21,23-26,32H,2-8,11-15,19,22,27-29H2,1H3,(H,35,36)(H2,37,38,39)/b10-9-/t32-/m1/s1" . "CCCCCCCCC=CCCCCCCCC(=O)NC(Cc1ccc(cc1)OCc1cccnc1)COP(=O)(O)O" . "CCCCCCCC/C=C/CCCCCCCC(=O)N[C@H](Cc1ccc(cc1)OCc1cccnc1)COP(=O)(O)O" . "KMTDWYLEJRZIJN-HWNQJZBBSA-N" . "InChI=1S/C33H51N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-33(36)35-31(28-41-42(37,38)39)25-29-20-22-32(23-21-29)40-27-30-18-17-24-34-26-30/h9-10,17-18,20-24,26,31H,2-8,11-16,19,25,27-28H2,1H3,(H,35,36)(H2,37,38,39)/b10-9-/t31-/m1/s1" . "OC(=O)CCSCc1ccc(cc1)c1onc(c1NC(=O)OC(c1ccccc1Cl)C)C" . "OC(=O)CCSCc1ccc(cc1)c1onc(c1NC(=O)OC(c1ccccc1Cl)C)C" . "LLIFMNUXGDHTRO-UHFFFAOYSA-N" . "InChI=1S/C23H23ClN2O5S/c1-14-21(25-23(29)30-15(2)18-5-3-4-6-19(18)24)22(31-26-14)17-9-7-16(8-10-17)13-32-12-11-20(27)28/h3-10,15H,11-13H2,1-2H3,(H,25,29)(H,27,28)" . "OC(=O)Cc1ccc(cc1)c1ccc(cc1)c1onc(c1NC(=O)OC(c1ccccc1Cl)C)C" . "OC(=O)Cc1ccc(cc1)c1ccc(cc1)c1onc(c1NC(=O)O[C@@H](c1ccccc1Cl)C)C" . "WWQTWEWAPUCDDZ-QGZVFWFLSA-N" . "InChI=1S/C27H23ClN2O5/c1-16-25(29-27(33)34-17(2)22-5-3-4-6-23(22)28)26(35-30-16)21-13-11-20(12-14-21)19-9-7-18(8-10-19)15-24(31)32/h3-14,17H,15H2,1-2H3,(H,29,33)(H,31,32)/t17-/m1/s1" . "CCOC(=O)C1Cc2ccccc2CN1C(=O)c1ccc(s1)SC" . "CCOC(=O)C1Cc2ccccc2CN1C(=O)c1ccc(s1)SC" . "UIEBLUZPSFAFOC-UHFFFAOYSA-N" . "InChI=1S/C18H19NO3S2/c1-3-22-18(21)14-10-12-6-4-5-7-13(12)11-19(14)17(20)15-8-9-16(23-2)24-15/h4-9,14H,3,10-11H2,1-2H3" . "O=C(OC(C)(C)C)CN(Cc1ccc(s1)[N+](=O)[O-])Cc1ccc(cc1)Cl" . "O=C(OC(C)(C)C)CN(Cc1ccc(s1)[N+](=O)[O-])Cc1ccc(cc1)Cl" . "WYSLOKHVFKLWOU-UHFFFAOYSA-N" . "InChI=1S/C18H21ClN2O4S/c1-18(2,3)25-17(22)12-20(10-13-4-6-14(19)7-5-13)11-15-8-9-16(26-15)21(23)24/h4-9H,10-12H2,1-3H3" . "CCC(C=CC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O)O" . "CC[C@@H](/C=C/C=C/C[C@H](/C=C/C=C/C=C/[C@H](CCCC(=O)O)O)O)O" . "AOPOCGPBAIARAV-JJVMZPRHSA-N" . "InChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8+,12-6+,13-7-/t17-,18-,19+/m0/s1" . "C1CCC(CC1)NC(=NC1CCCCC1)SCc1csc2=NCCn12" . "C1CCC(CC1)N/C(=N/C1CCCCC1)/SCc1csc2=NCCn12" . "ZEZPDHKACVMMCD-UHFFFAOYSA-N" . "InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)" . "CC1(C)N=c2n(C1)c(cs2)CSC(=NC1CCCCC1)NC1CCCCC1" . "CC1(C)N=c2n(C1)c(cs2)CS/C(=N/C1CCCCC1)/NC1CCCCC1" . "OOSUDWRRWZVFEB-UHFFFAOYSA-N" . "InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23)" . "OC(=O)Cc1cc(C)ccc1Nc1c(F)cccc1Cl" . "OC(=O)Cc1cc(C)ccc1Nc1c(F)cccc1Cl" . "KHPKQFYUPIUARC-UHFFFAOYSA-N" . "InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)" . "Clc1cnc(c(c1)c1ccc(cc1)S(=O)(=O)C)c1ccc(nc1)C" . "Clc1cnc(c(c1)c1ccc(cc1)S(=O)(=O)C)c1ccc(nc1)C" . "MNJVRJDLRVPLFE-UHFFFAOYSA-N" . "InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3" . "CCC(=O)NS(=O)(=O)c1ccc(cc1)c1c(C)onc1c1ccccc1" . "CCC(=O)NS(=O)(=O)c1ccc(cc1)c1c(C)onc1c1ccccc1" . "TZRHLKRLEZJVIJ-UHFFFAOYSA-N" . "InChI=1S/C19H18N2O4S/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22)" . "Cc1onc(c1c1ccc(cc1)S(=O)(=O)N)c1ccccc1" . "Cc1onc(c1c1ccc(cc1)S(=O)(=O)N)c1ccccc1" . "LNPDTQAFDNKSHK-UHFFFAOYSA-N" . "InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)" . "O=C1OCC(=C1c1ccccc1)c1ccc(cc1)S(=O)(=O)C" . "O=C1OCC(=C1c1ccccc1)c1ccc(cc1)S(=O)(=O)C" . "RZJQGNCSTQAWON-UHFFFAOYSA-N" . "InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3" . "Cc1ccc(cc1)c1cc(nn1c1ccc(cc1)S(=O)(=O)N)C(F)(F)F" . "Cc1ccc(cc1)c1cc(nn1c1ccc(cc1)S(=O)(=O)N)C(F)(F)F" . "RZEKVGVHFLEQIL-UHFFFAOYSA-N" . "InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)" . "Cc1ccc(c(c1)C(=O)N1CCN(CCC1C)c1oc2c(n1)cc(cc2)Cl)n1nccn1" . "Cc1ccc(c(c1)C(=O)N1CCN(CC[C@H]1C)c1oc2c(n1)cc(cc2)Cl)n1nccn1" . "JYTNQNCOQXFQPK-MRXNPFEDSA-N" . "InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1" . "CNC(=O)C(N1CCc2c(C1CCc1ccc(cc1)C(F)(F)F)cc(c(c2)OC)OC)c1ccccc1" . "CNC(=O)[C@H](N1CCc2c([C@@H]1CCc1ccc(cc1)C(F)(F)F)cc(c(c2)OC)OC)c1ccccc1" . "DKMACHNQISHMDN-RPLLCQBOSA-N" . "InChI=1S/C29H31F3N2O3/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35)/t24-,27+/m0/s1" . "OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(O)(C)C)C)C)C1)C" . "O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(O)(C)C)C)C)C1)C" . "INBGSXNNRGWLJU-ZHHJOTBYSA-N" . "InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1" . "COCC1(OC)CCC2C1(C)CC(c1ccc(cc1)C=NO)C1=C3CCC(=O)C=C3CCC21" . "COC[C@]1(OC)CC[C@@H]2[C@]1(C)C[C@H](c1ccc(cc1)/C=N/O)C1=C3CCC(=O)C=C3CC[C@@H]21" . "GJMNAFGEUJBOCE-MEQIQULJSA-N" . "InChI=1S/C28H35NO4/c1-27-15-24(19-6-4-18(5-7-19)16-29-31)26-22-11-9-21(30)14-20(22)8-10-23(26)25(27)12-13-28(27,33-3)17-32-2/h4-7,14,16,23-25,31H,8-13,15,17H2,1-3H3/b29-16+/t23-,24+,25-,27-,28+/m0/s1" . "ClC1CC2C(C1Cl)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl" . "ClC1CC2C(C1Cl)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl" . "BIWJNBZANLAXMG-UHFFFAOYSA-N" . "InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2" . "OCCCC1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21" . "OCCC[C@@]1(O)CC[C@@H]2[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21" . "IEXUMDBQLIVNHZ-YOUGDJEHSA-N" . "InChI=1S/C29H39NO3/c1-28-18-25(19-5-8-21(9-6-19)30(2)3)27-23-12-10-22(32)17-20(23)7-11-24(27)26(28)13-15-29(28,33)14-4-16-31/h5-6,8-9,17,24-26,31,33H,4,7,10-16,18H2,1-3H3/t24-,25+,26-,28+,29+/m0/s1" . "C#CC1(O)CCC2C1(CC)CCC1C2CCC2=CC(=O)CCC12" . "C#C[C@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12" . "WWYNJERNGUHSAO-XUDSTZEESA-N" . "InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1" . "C#CC1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12" . "C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12" . "VIKNJXKGJWUCNN-XGXHKTLJSA-N" . "InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1" . "O=C1CCC2(C(=C1)C(C)CC1C2CCC2(C1CCC2(O)C(=O)C)C)C" . "O=C1CC[C@]2(C(=C1)[C@@H](C)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C" . "FRQMUZJSZHZSGN-HBNHAYAOSA-N" . "InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1" . "O=C1CCC2(C(=C1)C=CC1C2CCC2(C1CCC2C(=O)C)C)C" . "O=C1CC[C@@]2(C(=C1)C=C[C@@H]1[C@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C" . "JGMOKGBVKVMRFX-HQZYFCCVSA-N" . "InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19+,20+,21+/m0/s1" . "CCC(=O)C1(C)CCC2C1(C)CCC1=C3CCC(=O)C=C3CCC21" . "CCC(=O)[C@@]1(C)CC[C@@H]2[C@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@H]21" . "QFFCYTLOTYIJMR-XMGTWHOFSA-N" . "InChI=1S/C22H30O2/c1-4-20(24)22(3)12-10-19-18-7-5-14-13-15(23)6-8-16(14)17(18)9-11-21(19,22)2/h13,18-19H,4-12H2,1-3H3/t18-,19+,21+,22-/m1/s1" . "COC(=O)C1CC2=CC(=O)CCC2(C23C1C1CCC4(C1(C)CC3O2)CCC(=O)O4)C" . "COC(=O)[C@@H]1CC2=CC(=O)CC[C@@]2([C@@]23[C@@H]1[C@@H]1CC[C@]4([C@@]1(C)C[C@H]3O2)CCC(=O)O4)C" . "JUKPWJGBANNWMW-VWBFHTRKSA-N" . "InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23-,24-/m1/s1" . "CC(=O)SC1CC2=CC(=O)CCC2(C2C1C1CCC3(C1(CC2)C)CCC(=O)O3)C" . "CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@]3([C@]1(CC2)C)CCC(=O)O3)C" . "LXMSZDCAJNLERA-ZHYRCANASA-N" . "InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1" . "O=C1CCC2(C(=C1)C1CC1C1C2CCC2(C1C1CC1C12CCC(=O)O1)C)C" . "O=C1CC[C@]2(C(=C1)[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H]1C[C@@H]1[C@]12CCC(=O)O1)C)C" . "METQSPRSQINEEU-HXCATZOESA-N" . "InChI=1S/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24+/m1/s1" . "OCC(=O)C1(O)CCC2C1(C)CC(O)C1(C2CCC2=CC(=O)CCC12C)F" . "OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)CC[C@]12C)F" . "AAXVEMMRQDVLJB-BULBTXNYSA-N" . "InChI=1S/C21H29FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1" . "OCC(=O)C1CCC2C1(C=O)CC(O)C1C2CCC2=CC(=O)CCC12C" . "OCC(=O)[C@H]1CC[C@@H]2[C@]1(C=O)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C" . "PQSUYGKTWSAVDQ-ZVIOFETBSA-N" . "InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1" . "OCC(=O)C1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C" . "OCC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C" . "ZESRJSPZRDMNHY-YFWFAHHUSA-N" . "InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1" . "OCC(=O)C1(O)C(O)CC2C1(C)CC(O)C1(C2CCC2=CC(=O)C=CC12C)F" . "OCC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F" . "GFNANZIMVAIWHM-OBYCQNJPSA-N" . "InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1" . "OCC(=O)C1CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C" . "OCC(=O)[C@H]1CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C" . "OMFXVFTZEKFJBZ-HJTSIMOOSA-N" . "InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1" . "OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C" . "OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C" . "JYGXADMDTFJGBT-VWUMJDOOSA-N" . "InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1" . "OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2(C1CCC1=CC(=O)C=CC21C)F)(C)C" . "OCC(=O)[C@@]12OC(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@]2([C@H]1CCC1=CC(=O)C=C[C@]21C)F)(C)C" . "YNDXUCZADRHECN-JNQJZLCISA-N" . "InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1" . "OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C" . "OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C" . "OIGNJSKKLXVSLS-VWUMJDOOSA-N" . "InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1" . "CC(=O)OC1(CCC2C1(C)CCC1C2C=C(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C" . "CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C=C(C2=CC(=O)[C@H]3[C@@H]([C@]12C)C3)Cl)C(=O)C" . "UWFYSQMTEOIJJG-FDTZYFLXSA-N" . "InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1" . "O=C1NC(C(=O)N1c1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])(C)C" . "O=C1NC(C(=O)N1c1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])(C)C" . "XWXYUMMDTVBTOU-UHFFFAOYSA-N" . "InChI=1S/C12H10F3N3O4/c1-11(2)9(19)17(10(20)16-11)6-3-4-8(18(21)22)7(5-6)12(13,14)15/h3-5H,1-2H3,(H,16,20)" . "N#Cc1ccc(cc1C(F)(F)F)NC(=O)C(CS(=O)(=O)c1ccc(cc1)F)(O)C" . "N#Cc1ccc(cc1C(F)(F)F)NC(=O)C(CS(=O)(=O)c1ccc(cc1)F)(O)C" . "LKJPYSCBVHEWIU-UHFFFAOYSA-N" . "InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)" . "O=C(C(O)(C)C)Nc1ccc(c(c1)C(F)(F)F)N(=O)=O" . "O=C(C(O)(C)C)Nc1ccc(c(c1)C(F)(F)F)N(=O)=O" . "YPQLFJODEKMJEF-UHFFFAOYSA-N" . "InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)" . "O=C1CCC2(C(=C1)CCC1C2(F)C(O)CC2(C1CCC2(C)O)C)C" . "O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@]2(F)[C@@H](O)C[C@]2([C@H]1CC[C@]2(C)O)C)C" . "YLRFCQOZQXIBAB-RBZZARIASA-N" . "InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-/m0/s1" . "O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2=O)C)C" . "O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C" . "AEMFNILZOJDQLW-QAGGRKNESA-N" . "InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1" . 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"InChI=1S/C25H35N3O3/c1-7-8-9-12-31-21-14-19-18(24(2,3)10-11-25(19,4)5)13-20(21)28(6)23-26-15-17(16-27-23)22(29)30/h13-16H,7-12H2,1-6H3,(H,29,30)" . "CCCOc1cc2c(cc1C(=CC=CC(=CC(=O)O)C)C)C(C)(C)CCC2(C)C" . "CCCOc1cc2c(cc1/C(=C/C=C/C(=C/C(=O)O)/C)/C)C(C)(C)CCC2(C)C" . "HNODNXQAYXJFMQ-LQUSFLDPSA-N" . "InChI=1S/C26H36O3/c1-8-14-29-23-17-22-21(25(4,5)12-13-26(22,6)7)16-20(23)19(3)11-9-10-18(2)15-24(27)28/h9-11,15-17H,8,12-14H2,1-7H3,(H,27,28)/b10-9+,18-15+,19-11-" . "CC(CCCC(CC(=O)O)C)CCCC(CCCC(C)C)C" . "CC(CCCC(CC(=O)O)C)CCCC(CCCC(C)C)C" . "RLCKHJSFHOZMDR-UHFFFAOYSA-N" . "InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)" . "COC(CCCC(CC=CC(=CC(=O)O)C)C)(C)C" . "COC(CCCC(C/C=C/C(=C/C(=O)O)/C)C)(C)C" . "MNYBEULOKRVZKY-TZOAMJEDSA-N" . "InChI=1S/C16H28O3/c1-13(10-7-11-16(3,4)19-5)8-6-9-14(2)12-15(17)18/h6,9,12-13H,7-8,10-11H2,1-5H3,(H,17,18)/b9-6+,14-12+" . "OC(=O)C=C(C=CC1CC1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)C" . "OC(=O)/C=C(/C=C/C1CC1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)/C" . "BOOOLEGQBVUTKC-YWRSBGDESA-N" . "InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+" . "OC(=O)C=Cc1ccc(c(c1)c1cc2c(cc1C)C(C)(C)CCC2(C)C)O" . "OC(=O)/C=C/c1ccc(c(c1)c1cc2c(cc1C)C(C)(C)CCC2(C)C)O" . "DYLLZSVPAUUSSB-VQHVLOKHSA-N" . "InChI=1S/C24H28O3/c1-15-12-19-20(24(4,5)11-10-23(19,2)3)14-17(15)18-13-16(6-8-21(18)25)7-9-22(26)27/h6-9,12-14,25H,10-11H2,1-5H3,(H,26,27)/b9-7+" . "OC(=O)c1ccc(cc1)C1(OCCO1)c1ccc2c(c1)C(C)(C)CCC2(C)C" . "OC(=O)c1ccc(cc1)C1(OCCO1)c1ccc2c(c1)C(C)(C)CCC2(C)C" . "ZZUKALQMHNSWTK-UHFFFAOYSA-N" . "InChI=1S/C24H28O4/c1-22(2)11-12-23(3,4)20-15-18(9-10-19(20)22)24(27-13-14-28-24)17-7-5-16(6-8-17)21(25)26/h5-10,15H,11-14H2,1-4H3,(H,25,26)" . "Cc1cc2c(cc1C1(CC1)c1ccc(cn1)C(=O)O)C(C)(C)CCC2(C)C" . "Cc1cc2c(cc1C1(CC1)c1ccc(cn1)C(=O)O)C(C)(C)CCC2(C)C" . "SLXTWXQUEZSSTJ-UHFFFAOYSA-N" . 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"O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC=C2)C)C" . "KRVXMNNRSSQZJP-PHFHYRSDSA-N" . "InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14+,15-,16-,17-,18-,19-/m0/s1" . "OC1CCC2(C(C1)CCC1C2CCC2(C1CCC2)C)C" . "O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2)C)C" . "DJTOLSNIKJIDFF-PHFHYRSDSA-N" . "InChI=1S/C19H32O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13-17,20H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18-,19-/m0/s1" . "O=C1CCC2(C(C1)CCC1C2CCC2(C1CCC2C(=O)C)C)C" . "O=C1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C" . "XMRPGKVKISIQBV-XWOJZHJZSA-N" . "InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m1/s1" . "Clc1ccc(cc1)c1nc2n(c1C=NOCc1ccc(c(c1)Cl)Cl)ccs2" . "Clc1ccc(cc1)c1nc2n(c1/C=N/OCc1ccc(c(c1)Cl)Cl)ccs2" . "ZQWBOKJVVYNKTL-AUEPDCJTSA-N" . 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"InChI=1S/C33H31ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40)" . "CC(=O)Oc1ccc2c(c1)C1(C)CCCC(C1CC2)(C)C(=O)OC(=O)C1(C)CCCC2(C1CCc1c2cc(cc1)OC(=O)C)C" . "CC(=O)Oc1ccc2c(c1)[C@@]1(C)CCC[C@]([C@@H]1CC2)(C)C(=O)OC(=O)[C@@]1(C)CCC[C@]2([C@H]1CCc1c2cc(cc1)OC(=O)C)C" . "OUJQRQRBNRGQTC-SPGSYPTKSA-N" . "InChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38+/m1/s1" . "OCC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)O)C)C" . "OC[C@@H](CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C)C" . "FYHRJWMENCALJY-YSQMORBQSA-N" . "InChI=1S/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t18-,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1" . "OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCC2OC2(C)C)C)C)C1)C" . "O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CC[C@@H]2OC2(C)C)C)C)C1)C" . "OSENKJZWYQXHBN-XVYZBDJZSA-N" . "InChI=1S/C27H44O2/c1-17(6-11-24-25(2,3)29-24)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7,17,19-24,28H,6,8-16H2,1-5H3/t17-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1" . "OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCC(C(C)C)O)C)C)C1)C" . "O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CC[C@@H](C(C)C)O)C)C)C1)C" . "IOWMKBFJCNLRTC-XWXSNNQWSA-N" . "InChI=1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1" . "OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCC=C(C)C)C)C)C1)C" . "O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCC=C(C)C)C)C)C1)C" . "AVSXSVCZWQODGV-DPAQBDIFSA-N" . "InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1" . "CC(CCCC(C1CCC2C1(C)CCCC2=CC=C1CC(O)CCC1=C)C)C" . "CC(CCC[C@H]([C@H]1CCC2[C@]1(C)CCC/C/2=C/C=C/1/C[C@@H](O)CCC1=C)C)C" . "QYSXJUFSXHHAJI-QWSSABAFSA-N" . "InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26?,27-/m1/s1" . "CC(=CCCC(C1CCC2(C1(C)CCC1=C2CCC2C1(C)CCC(C2(C)C)O)C)C)C" . "CC(=CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C)C" . "CAHGCLMLTWQZNJ-BQNIITSRSA-N" . "InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1" . "CC=C1C(=O)CC2C1(C)CCC1C2CCC2=CC(=O)CCC12C" . "C/C=C/1/C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C" . "WDXRGPWQVHZTQJ-AUKWTSKRSA-N" . "InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4-/t15-,17+,18+,20+,21-/m1/s1" . "COC(=O)C=Cc1cccc(c1)N(C(=O)C1CCCCC1)Cc1ccc(cc1)c1ccc(cc1)N(C)C" . "COC(=O)/C=C/c1cccc(c1)N(C(=O)C1CCCCC1)Cc1ccc(cc1)c1ccc(cc1)N(C)C" . "VLQTUNDJHLEFEQ-KGENOOAVSA-N" . "InChI=1S/C32H36N2O3/c1-33(2)29-19-17-27(18-20-29)26-15-12-25(13-16-26)23-34(32(36)28-9-5-4-6-10-28)30-11-7-8-24(22-30)14-21-31(35)37-3/h7-8,11-22,28H,4-6,9-10,23H2,1-3H3/b21-14+" . "Clc1cc(ccc1C=Cc1cccc(c1)C(=O)O)OCc1c(onc1c1c(Cl)cccc1Cl)C(C)C" . "Clc1cc(ccc1/C=C/c1cccc(c1)C(=O)O)OCc1c(onc1c1c(Cl)cccc1Cl)C(C)C" . "BYTNEISLBIENSA-MDZDMXLPSA-N" . "InChI=1S/C28H22Cl3NO4/c1-16(2)27-21(26(32-36-27)25-22(29)7-4-8-23(25)30)15-35-20-12-11-18(24(31)14-20)10-9-17-5-3-6-19(13-17)28(33)34/h3-14,16H,15H2,1-2H3,(H,33,34)/b10-9+" . "CC(CCC(C(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)O)C)O)C" . "CC(CC[C@H]([C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C)O)C" . "RZPAXNJLEKLXNO-GFKLAVDKSA-N" . "InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1" . "NCCCP(=O)(C(OCC)OCC)O" . "NCCCP(=O)(C(OCC)OCC)O" . "QIIVUOWTHWIXFO-UHFFFAOYSA-N" . "InChI=1S/C8H20NO4P/c1-3-12-8(13-4-2)14(10,11)7-5-6-9/h8H,3-7,9H2,1-2H3,(H,10,11)" . "CC(=CC=CC(=CC(=O)O)C)C=CC1=C(C)C(=O)CCC1(C)C" . "C/C(=C/C=C/C(=C/C(=O)O)/C)/C=C/C1=C(C)C(=O)CCC1(C)C" . "GGCUJPCCTQNTJF-FRCNGJHJSA-N" . "InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+" . "CC(=CC=CC(=CC(=O)O)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C" . "C/C(=C/C=C/C(=C/C(=O)O)/C)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C" . "JMPZTWDLOGTBPM-OUQSKUGOSA-N" . "InChI=1S/C23H32O2/c1-16(12-21(24)25)10-9-11-17(2)18-13-19(22(3,4)5)15-20(14-18)23(6,7)8/h9-15H,1-8H3,(H,24,25)/b10-9+,16-12+,17-11+" . "CCC(C(=O)OC1CC(C)C=C2C1C(CCC1CC(O)CC(=O)O1)C(C=C2)C)C" . "CC[C@@H](C(=O)O[C@H]1C[C@@H](C)C=C2[C@H]1[C@@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@H](C=C2)C)C" . "PCZOHLXUXFIOCF-BXMDZJJMSA-N" . "InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1" . "CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OS(=O)(=O)O)C)C" . "CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OS(=O)(=O)O)C)C" . "BHYOQNUELFTYRT-DPAQBDIFSA-N" . "InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1" . "COC(=O)C1=C(C)NC(=C(C1c1cccc2c1non2)C(=O)OC(C)C)C" . "COC(=O)C1=C(C)NC(=C([C@H]1c1cccc2c1non2)C(=O)OC(C)C)C" . "HMJIYCCIJYRONP-INIZCTEOSA-N" . "InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,20H,1-5H3/t16-/m0/s1" . "CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)O)C)C" . "CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C)C" . "HVYWMOMLDIMFJA-DPAQBDIFSA-N" . "InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1" . "N#CC1=CC2(C)C(C(C1=O)(C)C)CCC1(C2=CC(=O)C2C1(C)CCC1(C2CC(C)(C)CC1)C(=O)O)C" . "N#CC1=C[C@@]2(C)[C@H](C(C1=O)(C)C)CC[C@@]1(C2=CC(=O)[C@H]2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C" . "TXGZJQLMVSIZEI-UQMAOPSPSA-N" . "InChI=1S/C31H41NO4/c1-26(2)10-12-31(25(35)36)13-11-30(7)23(19(31)16-26)20(33)14-22-28(5)15-18(17-32)24(34)27(3,4)21(28)8-9-29(22,30)6/h14-15,19,21,23H,8-13,16H2,1-7H3,(H,35,36)/t19-,21-,23-,28-,29+,30+,31-/m0/s1" . "O=C(N(CCc1c(F)cccc1Cl)CCCc1ccc(cc1)OC(C(=O)O)(C)C)Nc1cccc(c1Cl)Cl" . "O=C(N(CCc1c(F)cccc1Cl)CCCc1ccc(cc1)OC(C(=O)O)(C)C)Nc1cccc(c1Cl)Cl" . "YMWJDWJXIXITMD-UHFFFAOYSA-N" . "InChI=1S/C28H28Cl3FN2O4/c1-28(2,26(35)36)38-19-13-11-18(12-14-19)6-5-16-34(17-15-20-21(29)7-3-9-23(20)32)27(37)33-24-10-4-8-22(30)25(24)31/h3-4,7-14H,5-6,15-17H2,1-2H3,(H,33,37)(H,35,36)" . "CCCc1cc(ccc1OCCc1cc2c([nH]1)ccc(c2)CC(=O)O)Oc1ccccc1" . "CCCc1cc(ccc1OCCc1cc2c([nH]1)ccc(c2)CC(=O)O)Oc1ccccc1" . "DFFOSEJNFZUOSK-UHFFFAOYSA-N" . "InChI=1S/C27H27NO4/c1-2-6-20-18-24(32-23-7-4-3-5-8-23)10-12-26(20)31-14-13-22-17-21-15-19(16-27(29)30)9-11-25(21)28-22/h3-5,7-12,15,17-18,28H,2,6,13-14,16H2,1H3,(H,29,30)" . "OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl" . "OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl" . "DCOPUUMXTXDBNB-UHFFFAOYSA-N" . "InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)" . "CCOC(C(=O)O)Cc1ccc(c(c1)I)OCCN(c1nc2c(o1)cccc2)C" . "CCO[C@H](C(=O)O)Cc1ccc(c(c1)[125I])OCCN(c1nc2c(o1)cccc2)C" . "VMBRNDMISRCGGM-DYZOOXQFSA-N" . "InChI=1S/C21H23IN2O5/c1-3-27-19(20(25)26)13-14-8-9-17(15(22)12-14)28-11-10-24(2)21-23-16-6-4-5-7-18(16)29-21/h4-9,12,19H,3,10-11,13H2,1-2H3,(H,25,26)/t19-/m0/s1/i22-2" . "O=C1NC(=O)C(=Cc2ccc(cc2)OCC2CCCN2c2ccccn2)S1" . "O=C1NC(=O)/C(=C/c2ccc(cc2)OCC2CCCN2c2ccccn2)/S1" . "GRLCJTHTWOJWJS-ATVHPVEESA-N" . "InChI=1S/C20H19N3O3S/c24-19-17(27-20(25)22-19)12-14-6-8-16(9-7-14)26-13-15-4-3-11-23(15)18-5-1-2-10-21-18/h1-2,5-10,12,15H,3-4,11,13H2,(H,22,24,25)/b17-12-" . "CC(c1ccc(cc1)OC1OC1)(c1ccc(cc1)OC1OC1)C" . "CC(c1ccc(cc1)OC1OC1)(c1ccc(cc1)OC1OC1)C" . "ZJXRWCYQPVZNIC-UHFFFAOYSA-N" . "InChI=1S/C19H20O4/c1-19(2,13-3-7-15(8-4-13)22-17-11-20-17)14-5-9-16(10-6-14)23-18-12-21-18/h3-10,17-18H,11-12H2,1-2H3" . "O=C1NC(=O)C(S1)Cc1ccc2c(c1)ccc(c2)OCc1ccccc1F" . "O=C1NC(=O)C(S1)Cc1ccc2c(c1)ccc(c2)OCc1ccccc1F" . "PKWDZWYVIHVNKS-UHFFFAOYSA-N" . "InChI=1S/C21H16FNO3S/c22-18-4-2-1-3-16(18)12-26-17-8-7-14-9-13(5-6-15(14)11-17)10-19-20(24)23-21(25)27-19/h1-9,11,19H,10,12H2,(H,23,24,25)" . "CCCCCCCN(C(=O)Nc1ccc(cc1F)F)CCc1ccc(cc1)OC(C(=O)O)(CC)C" . "CCCCCCCN(C(=O)Nc1c([3H])cc(cc1F)F)CCc1ccc(cc1)OC(C(=O)O)(CC)C" . "VGSJXSLGVQINOL-BBSCNJGJSA-N" . "InChI=1S/C27H36F2N2O4/c1-4-6-7-8-9-17-31(26(34)30-24-15-12-21(28)19-23(24)29)18-16-20-10-13-22(14-11-20)35-27(3,5-2)25(32)33/h10-15,19H,4-9,16-18H2,1-3H3,(H,30,34)(H,32,33)/i15T" . "OC(=O)Cc1cc(Cl)c(c(c1)Cl)Oc1ccc(c(c1)C(C)C)O" . "OC(=O)Cc1cc(Cl)c(c(c1)Cl)Oc1ccc(c(c1)C(C)C)O" . "OZYQIQVPUZANTM-UHFFFAOYSA-N" . "InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)" . "CC(CC(C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2)C" . "CC(CC(C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2)C" . "CBPJQFCAFFNICX-UHFFFAOYSA-N" . "InChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)" . "COC(=O)c1ccccc1NC(C(=O)O)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1" . "COC(=O)c1ccccc1N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1" . "KEGOAFNIGUBYHZ-SANMLTNESA-N" . "InChI=1S/C29H28N2O6/c1-19-24(31-27(37-19)21-8-4-3-5-9-21)16-17-36-22-14-12-20(13-15-22)18-26(28(32)33)30-25-11-7-6-10-23(25)29(34)35-2/h3-15,26,30H,16-18H2,1-2H3,(H,32,33)/t26-/m0/s1" . "OC(=O)C(Nc1ccccc1C(=O)c1ccccc1)Cc1ccc(cc1)OCCN(c1ccccn1)C" . "OC(=O)[C@@H](Nc1ccccc1C(=O)c1ccccc1)Cc1ccc(cc1)OCCN(c1ccccn1)C" . "QTQMRBZOBKYXCG-MHZLTWQESA-N" . "InChI=1S/C30H29N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,32H,19-21H2,1H3,(H,35,36)/t27-/m0/s1" . "O=C1NC(=O)C(S1)Cc1ccc(cc1)OCC(c1nc(oc1C)c1ccccc1)O" . "O=C1NC(=O)C(S1)Cc1ccc(cc1)OCC(c1nc(oc1C)c1ccccc1)O" . "YVQKIDLSVHRBGZ-UHFFFAOYSA-N" . "InChI=1S/C22H20N2O5S/c1-13-19(23-21(29-13)15-5-3-2-4-6-15)17(25)12-28-16-9-7-14(8-10-16)11-18-20(26)24-22(27)30-18/h2-10,17-18,25H,11-12H2,1H3,(H,24,26,27)" . "O=C1NC(=O)C(S1)Cc1ccc(cc1)OCC(c1nc(oc1C)c1ccccc1)O" . "O=C1NC(=O)C(S1)Cc1ccc(cc1)OCC(c1nc(oc1C)c1ccccc1)O" . "YVQKIDLSVHRBGZ-UHFFFAOYSA-N" . "InChI=1S/C22H20N2O5S/c1-13-19(23-21(29-13)15-5-3-2-4-6-15)17(25)12-28-16-9-7-14(8-10-16)11-18-20(26)24-22(27)30-18/h2-10,17-18,25H,11-12H2,1H3,(H,24,26,27)" . "Nc1ccc(c(c1)C(=O)O)O" . "Nc1ccc(c(c1)C(=O)O)O" . "KBOPZPXVLCULAV-UHFFFAOYSA-N" . "InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)" . "Clc1ccc2c(c1)c(Sc1ccccc1)c(n2Cc1ccc(cc1)Cl)C(=O)O" . "Clc1ccc2c(c1)c(Sc1ccccc1)c(n2Cc1ccc(cc1)Cl)C(=O)O" . "VUPOTURDKDMIGQ-UHFFFAOYSA-N" . "InChI=1S/C22H15Cl2NO2S/c23-15-8-6-14(7-9-15)13-25-19-11-10-16(24)12-18(19)21(20(25)22(26)27)28-17-4-2-1-3-5-17/h1-12H,13H2,(H,26,27)" . "OC(=O)C(Cc1ccc(cc1)OCCN(c1nc2c(o1)cccc2)C)OCC(F)(F)F" . "OC(=O)[C@@H](Cc1ccc(cc1)OCCN(c1nc2c(o1)cccc2)C)OCC(F)(F)F" . "IRAAJHYKQDFNFO-GOSISDBHSA-N" . "InChI=1S/C21H21F3N2O5/c1-26(20-25-16-4-2-3-5-17(16)31-20)10-11-29-15-8-6-14(7-9-15)12-18(19(27)28)30-13-21(22,23)24/h2-9,18H,10-13H2,1H3,(H,27,28)/t18-/m1/s1" . "OC(=O)C(Cc1ccc(cc1)OCCN(c1nc2c(o1)cccc2)C)OCC(F)(F)F" . "OC(=O)[C@H](Cc1ccc(cc1)OCCN(c1nc2c(o1)cccc2)C)OCC(F)(F)F" . "IRAAJHYKQDFNFO-SFHVURJKSA-N" . "InChI=1S/C21H21F3N2O5/c1-26(20-25-16-4-2-3-5-17(16)31-20)10-11-29-15-8-6-14(7-9-15)12-18(19(27)28)30-13-21(22,23)24/h2-9,18H,10-13H2,1H3,(H,27,28)/t18-/m0/s1" . "Clc1nc2ccccc2nc1CS(=O)(=O)c1ccccc1" . "Clc1nc2ccccc2nc1CS(=O)(=O)c1ccccc1" . "AMNQYONRCBZMGT-UHFFFAOYSA-N" . "InChI=1S/C15H11ClN2O2S/c16-15-14(17-12-8-4-5-9-13(12)18-15)10-21(19,20)11-6-2-1-3-7-11/h1-9H,10H2" . "CCCCCCCC1SC(C(=O)N1CCCCc1ccc(cc1)C(=O)O)CC(=O)N(Cc1ccccc1)Cc1ccccc1" . "CCCCCCC[C@@H]1S[C@H](C(=O)N1CCCCc1ccc(cc1)C(=O)O)CC(=O)N(Cc1ccccc1)Cc1ccccc1" . "GHJJBEKMPCOSRH-LRHLLKFHSA-N" . "InChI=1S/C37H46N2O4S/c1-2-3-4-5-12-20-35-39(25-14-13-15-29-21-23-32(24-22-29)37(42)43)36(41)33(44-35)26-34(40)38(27-30-16-8-6-9-17-30)28-31-18-10-7-11-19-31/h6-11,16-19,21-24,33,35H,2-5,12-15,20,25-28H2,1H3,(H,42,43)/t33-,35-/m0/s1" . "CCc1ccc(nc1)CCOc1ccc(cc1)CC1SC(=O)NC1=O" . "CCc1ccc(nc1)CCOc1ccc(cc1)CC1SC(=O)NC1=O" . "HYAFETHFCAUJAY-UHFFFAOYSA-N" . "InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)" . "O=C1NC(=O)C(S1)Cc1ccc(cc1)OCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C" . "O=C1NC(=O)C(S1)Cc1ccc(cc1)OCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C" . "GXPHKUHSUJUWKP-UHFFFAOYSA-N" . "InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)" . "CCCCCC=CC=C1C(CC=CCCCC(=O)O)C=CC1=O" . "CCCCC/C=C/C=C/1/[C@@H](C/C=C/CCCC(=O)O)C=CC1=O" . "VHRUMKCAEVRUBK-GODQJPCRSA-N" . "InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6+,18-13+/t17-/m0/s1" . "CCCc1c(OCCCOc2ccc(cc2)OCC(=O)O)ccc(c1O)C(=O)C" . "CCCc1c(OCCCOc2ccc(cc2)OCC(=O)O)ccc(c1O)C(=O)C" . "HBBVCKCCQCQCTJ-UHFFFAOYSA-N" . "InChI=1S/C22H26O7/c1-3-5-19-20(11-10-18(15(2)23)22(19)26)28-13-4-12-27-16-6-8-17(9-7-16)29-14-21(24)25/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,25)" . "CCCc1c(OCCCSc2ccc(cc2Cl)CC(=O)O)ccc2c1onc2CC" . "CCCc1c(OCCCSc2ccc(cc2Cl)CC(=O)O)ccc2c1onc2CC" . "LBEYMGDIPDOUKK-UHFFFAOYSA-N" . "InChI=1S/C23H26ClNO4S/c1-3-6-17-20(9-8-16-19(4-2)25-29-23(16)17)28-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,26,27)" . "CCCc1c(OCCCSc2ccc(cc2Cl)CC(=O)O)ccc2c1occ2c1ccccc1" . "CCCc1c(OCCCSc2ccc(cc2Cl)CC(=O)O)ccc2c1occ2c1ccccc1" . "KAPDPGZDHUCILF-UHFFFAOYSA-N" . "InChI=1S/C28H27ClO4S/c1-2-7-22-25(12-11-21-23(18-33-28(21)22)20-8-4-3-5-9-20)32-14-6-15-34-26-13-10-19(16-24(26)29)17-27(30)31/h3-5,8-13,16,18H,2,6-7,14-15,17H2,1H3,(H,30,31)" . "CCCc1c(OCCCSc2ccc(cc2Cl)CC(=O)O)ccc2c1onc2C(F)(F)F" . "CCCc1c(OCCCSc2ccc(cc2Cl)CC(=O)O)ccc2c1onc2C(F)(F)F" . "TZBRFAASYWFUGK-UHFFFAOYSA-N" . "InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29)" . "OC(=O)COc1ccc(cc1C)SCc1sc(nc1C)c1ccc(cc1)C(F)(F)F" . "OC(=O)COc1ccc(cc1C)SCc1sc(nc1C)c1ccc(cc1)C(F)(F)F" . "YDBLKRPLXZNVNB-UHFFFAOYSA-N" . "InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)" . "OC(=O)COc1ccc(cc1C)SCc1sc(nc1C)c1ccc(c(c1)F)C(F)(F)F" . "OC(=O)COc1ccc(cc1C)SCc1sc(nc1C)c1ccc(c(c1)F)C(F)(F)F" . "HWVNEWGKWRGSRK-UHFFFAOYSA-N" . "InChI=1S/C21H17F4NO3S2/c1-11-7-14(4-6-17(11)29-9-19(27)28)30-10-18-12(2)26-20(31-18)13-3-5-15(16(22)8-13)21(23,24)25/h3-8H,9-10H2,1-2H3,(H,27,28)" . "CCCCCCCCCCCCCCC1(CO1)C(=O)O" . "CCCCCCCCCCCCCCC1(CO1)C(=O)O" . "FGIJQXGDQVNWKH-UHFFFAOYSA-N" . "InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-20-17)16(18)19/h2-15H2,1H3,(H,18,19)" . "COc1cc(C=Cc2ccc(cc2)O)cc(c1)OC" . "COc1cc(/C=C/c2ccc(cc2)O)cc(c1)OC" . "VLEUZFDZJKSGMX-ONEGZZNKSA-N" . "InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+" . "CCCCCCCN(C(=O)Nc1ccc(cc1F)F)CCc1ccc(cc1)OC(C(=O)O)(CC)C" . "CCCCCCCN(C(=O)Nc1ccc(cc1F)F)CCc1ccc(cc1)O[C@](C(=O)O)(CC)C" . "VGSJXSLGVQINOL-MHZLTWQESA-N" . "InChI=1S/C27H36F2N2O4/c1-4-6-7-8-9-17-31(26(34)30-24-15-12-21(28)19-23(24)29)18-16-20-10-13-22(14-11-20)35-27(3,5-2)25(32)33/h10-15,19H,4-9,16-18H2,1-3H3,(H,30,34)(H,32,33)/t27-/m0/s1" . "CCCCCC=CCC=CC=CC(CC=CCCCC(=O)O)O" . "CCCCC/C=C/C/C=C/C=C/[C@H](C/C=C/CCCC(=O)O)O" . "NLUNAYAEIJYXRB-VYOQERLCSA-N" . "InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,14-11-,16-13+/t19-/m1/s1" . "Cc1ccc(cc1)c1oc(c(n1)CCCCC1COC(OC1)(C)C(=O)O)C" . "Cc1ccc(cc1)c1oc(c(n1)CCCC[C@@H]1CO[C@](OC1)(C)C(=O)O)C" . "IMYPSTHZBIWMNA-NBEIKUQISA-N" . "InChI=1S/C21H27NO5/c1-14-8-10-17(11-9-14)19-22-18(15(2)27-19)7-5-4-6-16-12-25-21(3,20(23)24)26-13-16/h8-11,16H,4-7,12-13H2,1-3H3,(H,23,24)/t16-,21+" . "COc1ccc(cc1C(=O)NCc1ccc(cc1)C(F)(F)F)CC1SC(=O)NC1=O" . "COc1ccc(cc1C(=O)NCc1ccc(cc1)C(F)(F)F)CC1SC(=O)NC1=O" . "NFFXEUUOMTXWCX-UHFFFAOYSA-N" . "InChI=1S/C20H17F3N2O4S/c1-29-15-7-4-12(9-16-18(27)25-19(28)30-16)8-14(15)17(26)24-10-11-2-5-13(6-3-11)20(21,22)23/h2-8,16H,9-10H2,1H3,(H,24,26)(H,25,27,28)" . "CC(CCCC(C(=O)O)C)CCCC(CCCC(C)C)C" . "C[C@@H](CCC[C@@H](C(=O)O)C)CCC[C@@H](CCCC(C)C)C" . "PAHGJZDQXIOYTH-KURKYZTESA-N" . "InChI=1S/C19H38O2/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(20)21/h15-18H,6-14H2,1-5H3,(H,20,21)/t16-,17-,18+/m1/s1" . "CCCN(C(C(=O)Nc1c(C)cccc1C)CC)CC" . "CCCN(C(C(=O)Nc1c(C)cccc1C)CC)CC" . "VTUSIVBDOCDNHS-UHFFFAOYSA-N" . "InChI=1S/C17H28N2O/c1-6-12-19(8-3)15(7-2)17(20)18-16-13(4)10-9-11-14(16)5/h9-11,15H,6-8,12H2,1-5H3,(H,18,20)" . "OC(=O)CCC(=NOCc1ccc(cc1)OCc1nc(oc1C)c1ccccc1)c1ccccc1" . "OC(=O)CC/C(=N/OCc1ccc(cc1)OCc1nc(oc1C)c1ccccc1)/c1ccccc1" . "ULVDFHLHKNJICZ-QCWLDUFUSA-N" . "InChI=1S/C28H26N2O5/c1-20-26(29-28(35-20)23-10-6-3-7-11-23)19-33-24-14-12-21(13-15-24)18-34-30-25(16-17-27(31)32)22-8-4-2-5-9-22/h2-15H,16-19H2,1H3,(H,31,32)/b30-25+" . "O=C(N(CCc1ccc(cc1)SC(C(=O)O)(C)C)CCCCC1CCCCC1)NC1CCCCC1" . "O=C(N(CCc1ccc(cc1)SC(C(=O)O)(C)C)CCCCC1CCCCC1)NC1CCCCC1" . "PKNYXWMTHFMHKD-UHFFFAOYSA-N" . "InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)" . "CCCCCCCN(C(=O)Nc1ccc(cc1F)F)CCc1ccc(cc1)SC(C(=O)O)(C)C" . "CCCCCCCN(C(=O)Nc1ccc(cc1F)F)CCc1ccc(cc1)SC(C(=O)O)(C)C" . "KYQNYMXQHLMADB-UHFFFAOYSA-N" . "InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)" . "OC(=O)C(Nc1ccccc1C(=O)c1ccccc1)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1" . "OC(=O)[C@@H](Nc1ccccc1C(=O)c1ccccc1)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1" . "ZZCHHVUQYRMYLW-HKBQPEDESA-N" . "InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1" . "O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN1COc2c(C1=O)cccc2" . "O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN1COc2c(C1=O)cccc2" . "RFMNEXVCPAPDRA-UHFFFAOYSA-N" . "InChI=1S/C20H18N2O5S/c23-18-17(28-20(25)21-18)11-13-5-7-14(8-6-13)26-10-9-22-12-27-16-4-2-1-3-15(16)19(22)24/h1-8,17H,9-12H2,(H,21,23,25)" . "O=C1ONC(=O)C1Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1" . "O=C1ONC(=O)C1Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1" . "QBQLYIISSRXYKL-UHFFFAOYSA-N" . "InChI=1S/C22H20N2O5/c1-14-19(23-21(28-14)16-5-3-2-4-6-16)11-12-27-17-9-7-15(8-10-17)13-18-20(25)24-29-22(18)26/h2-10,18H,11-13H2,1H3,(H,24,25)" . "CCCCCC#CCC#CCC#CCC#CCCCC(=O)O" . "CCCCCC#CCC#CCC#CCC#CCCCC(=O)O" . "MGLDCXPLYOWQRP-UHFFFAOYSA-N" . "InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)" . "Clc1ccc(cc1)C(=O)NCCc1ccc(cc1)OC(C(=O)O)(C)C" . "Clc1ccc(cc1)C(=O)NCCc1ccc(cc1)OC(C(=O)O)(C)C" . "IIBYAHWJQTYFKB-UHFFFAOYSA-N" . "InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)" . "CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C" . "CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C" . "KNHUKKLJHYUCFP-UHFFFAOYSA-N" . "InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3" . "OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C" . "OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C" . "SZRPDCCEHVWOJX-UHFFFAOYSA-N" . "InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)" . "CCCc1cc(ccc1OCCCOc1cccc(c1)C1SC(=O)NC1=O)Oc1ccccc1" . "CCCc1cc(ccc1OCCCOc1cccc(c1)C1SC(=O)NC1=O)Oc1ccccc1" . "ZNLPWBJCSSSCCR-UHFFFAOYSA-N" . "InChI=1S/C27H27NO5S/c1-2-8-19-17-23(33-21-10-4-3-5-11-21)13-14-24(19)32-16-7-15-31-22-12-6-9-20(18-22)25-26(29)28-27(30)34-25/h3-6,9-14,17-18,25H,2,7-8,15-16H2,1H3,(H,28,29,30)" . "CCOC(C(=O)O)Cc1ccc(cc1)OCCN1c2ccccc2Oc2c1cccc2" . "CCO[C@H](C(=O)O)Cc1ccc(cc1)OCCN1c2ccccc2Oc2c1cccc2" . "WMUIIGVAWPWQAW-DEOSSOPVSA-N" . "InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1" . "O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1" . "O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1" . "GUTCYOKMCPFRGH-UHFFFAOYSA-N" . "InChI=1S/C22H20N2O4S/c1-14-18(23-21(28-14)16-5-3-2-4-6-16)11-12-27-17-9-7-15(8-10-17)13-19-20(25)24-22(26)29-19/h2-10,19H,11-13H2,1H3,(H,24,25,26)" . "Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C" . "Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C" . "MQOBSOSZFYZQOK-UHFFFAOYSA-N" . "InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)" . "CCCCCCCCC=CCCCCCCCC(=O)NCCO" . "CCCCCCCC/C=C/CCCCCCCC(=O)NCCO" . "BOWVQLFMWHZBEF-KTKRTIGZSA-N" . "InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-" . "Cc1oc(nc1CCOc1ccc(cc1)OC(C(=O)O)(C)C)c1ccc(cc1)c1ccccc1" . "Cc1oc(nc1CCOc1ccc(cc1)OC(C(=O)O)(C)C)c1ccc(cc1)c1ccccc1" . "JDJHTJNBMZSSLK-UHFFFAOYSA-N" . "InChI=1S/C28H27NO5/c1-19-25(17-18-32-23-13-15-24(16-14-23)34-28(2,3)27(30)31)29-26(33-19)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-16H,17-18H2,1-3H3,(H,30,31)" . "Cc1ccc(cc1)Cn1[nH]c(nc1=O)CCCc1ccc(cc1)OC(C(=O)O)(C)C" . "Cc1ccc(cc1)Cn1[nH]c(nc1=O)CCCc1ccc(cc1)OC(C(=O)O)(C)C" . "PNHFDVSKDSLUFH-UHFFFAOYSA-N" . "InChI=1S/C23H27N3O4/c1-16-7-9-18(10-8-16)15-26-22(29)24-20(25-26)6-4-5-17-11-13-19(14-12-17)30-23(2,3)21(27)28/h7-14H,4-6,15H2,1-3H3,(H,27,28)(H,24,25,29)" . "OC(=O)C(Oc1ccccc1)(Cc1ccc(cc1)OCCc1nc(oc1C)c1cccs1)C" . "OC(=O)[C@@](Oc1ccccc1)(Cc1ccc(cc1)OCCc1nc(oc1C)c1cccs1)C" . "KWSPYUOBNIMILB-SANMLTNESA-N" . "InChI=1S/C26H25NO5S/c1-18-22(27-24(31-18)23-9-6-16-33-23)14-15-30-20-12-10-19(11-13-20)17-26(2,25(28)29)32-21-7-4-3-5-8-21/h3-13,16H,14-15,17H2,1-2H3,(H,28,29)/t26-/m0/s1" . "CC(=CC(=O)c1ccccc1)NC(C(=O)O)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1" . "C/C(=C/C(=O)c1ccccc1)/N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1" . "GGUVRMBIEPYOKL-WMVCGJOFSA-N" . "InChI=1S/C31H30N2O5/c1-21(19-29(34)24-9-5-3-6-10-24)32-28(31(35)36)20-23-13-15-26(16-14-23)37-18-17-27-22(2)38-30(33-27)25-11-7-4-8-12-25/h3-16,19,28,32H,17-18,20H2,1-2H3,(H,35,36)/b21-19-/t28-/m0/s1" . "Clc1ccc(cc1)Cn1c2ccc(cc2c(c1CC(C(=O)O)(C)C)SC(C)(C)C)C(C)C" . "Clc1ccc(cc1)Cn1c2ccc(cc2c(c1CC(C(=O)O)(C)C)SC(C)(C)C)C(C)C" . "QAOAOVKBIIKRNL-UHFFFAOYSA-N" . "InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)" . "COCCOCOc1cc2ccc(cc2cc1C12CC3CC(C2)CC(C1)C3)c1ccc(cc1)C(=O)O" . "COCCOCOc1cc2ccc(cc2cc1C12CC3CC(C2)CC(C1)C3)c1ccc(cc1)C(=O)O" . "JBALRFFXKQPVLT-UHFFFAOYSA-N" . "InChI=1S/C31H34O5/c1-34-8-9-35-19-36-29-15-26-7-6-25(23-2-4-24(5-3-23)30(32)33)13-27(26)14-28(29)31-16-20-10-21(17-31)12-22(11-20)18-31/h2-7,13-15,20-22H,8-12,16-19H2,1H3,(H,32,33)" . "OC(c1ccc2c(c1)C(C)(C)CCC2(C)C)C(=O)Nc1ccc(cc1F)C(=O)O" . "O[C@H](c1ccc2c(c1)C(C)(C)CCC2(C)C)C(=O)Nc1ccc(cc1F)C(=O)O" . "AANFHDFOMFRLLR-LJQANCHMSA-N" . "InChI=1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t19-/m1/s1" . "OC(c1ccc2c(c1)C(C)(C)CCC2(C)C)C=Cc1ccc(cc1)C(=O)O" . "OC(c1ccc2c(c1)C(C)(C)CCC2(C)C)/C=C/c1ccc(cc1)C(=O)O" . "QCSYBKHFYYISTQ-KPKJPENVSA-N" . "InChI=1S/C24H28O3/c1-23(2)13-14-24(3,4)20-15-18(10-11-19(20)23)21(25)12-7-16-5-8-17(9-6-16)22(26)27/h5-12,15,21,25H,13-14H2,1-4H3,(H,26,27)/b12-7+" . "Clc1cc(ccc1C=Cc1ccc2c(c1)C(=CCC2(C)C)c1ccccc1)C(=O)O" . "Clc1cc(ccc1/C=C/c1ccc2c(c1)C(=CCC2(C)C)c1ccccc1)C(=O)O" . "FRTYVAKGTFXRNY-CSKARUKUSA-N" . "InChI=1S/C27H23ClO2/c1-27(2)15-14-22(19-6-4-3-5-7-19)23-16-18(9-13-24(23)27)8-10-20-11-12-21(26(29)30)17-25(20)28/h3-14,16-17H,15H2,1-2H3,(H,29,30)/b10-8+" . "O=C(c1ccc2c(c1)C(C)(C)C(=O)C2(C)C)Nc1ccc(cc1)C(=O)O" . "O=C(c1ccc2c(c1)C(C)(C)C(=O)C2(C)C)Nc1ccc(cc1)C(=O)O" . "KFBPBWUZXBYJDG-UHFFFAOYSA-N" . "InChI=1S/C21H21NO4/c1-20(2)15-10-7-13(11-16(15)21(3,4)19(20)26)17(23)22-14-8-5-12(6-9-14)18(24)25/h5-11H,1-4H3,(H,22,23)(H,24,25)" . "O=C(c1cc(F)c(c(c1)F)C(=O)O)Nc1cc2c(c(c1O)Br)C(C)(C)CCC2(C)C" . "O=C(c1cc(F)c(c(c1)F)C(=O)O)Nc1cc2c(c(c1O)Br)C(C)(C)CCC2(C)C" . "FADQHUSDAKOWFT-UHFFFAOYSA-N" . "InChI=1S/C22H22BrF2NO4/c1-21(2)5-6-22(3,4)16-11(21)9-14(18(27)17(16)23)26-19(28)10-7-12(24)15(20(29)30)13(25)8-10/h7-9,27H,5-6H2,1-4H3,(H,26,28)(H,29,30)" . "O=C(c1ccc(cc1)C(=O)O)Nc1ccc2c(c1)C(C)(C)CCC2(C)C" . "O=C(c1ccc(cc1)C(=O)O)Nc1ccc2c(c1)C(C)(C)CCC2(C)C" . "MUTNCGKQJGXKEM-UHFFFAOYSA-N" . "InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)" . "O=C(c1ccc2c(c1)C(C)(C)CCC2(C)C)Nc1ccc(cc1)C(=O)O" . "O=C(c1ccc2c(c1)C(C)(C)CCC2(C)C)Nc1ccc(cc1)C(=O)O" . "SZWKGOZKRMMLAJ-UHFFFAOYSA-N" . "InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)" . "CC(=Cc1ccc(cc1)C(=O)O)c1ccc2c(c1)C(C)(C)CCC2(C)C" . "C/C(=C/c1ccc(cc1)C(=O)O)/c1ccc2c(c1)C(C)(C)CCC2(C)C" . "FOIVPCKZDPCJJY-JQIJEIRASA-N" . "InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+" . "CC(=CC=CC(=CC(=O)O)C)C=CC1=C(C)CCCC1(C)C" . "C/C(=C/C=C/C(=C/C(=O)O)/C)/C=C/C1=C(C)CCCC1(C)C" . "SHGAZHPCJJPHSC-ZVCIMWCZSA-N" . "InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+" . "CC(=CC=CC(=CC(=O)O)C)C=CC1=C(C)CCCC1(C)C" . "C/C(=C/C=C/C(=C/C(=O)O)/C)/C=C/C1=C(C)CCCC1(C)C" . "SHGAZHPCJJPHSC-YCNIQYBTSA-N" . "InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+" . "O=C(c1ccc2c(c1)C(=CCC2(C)C)c1cnc2c(c1)cccc2)Nc1ccc(cc1)C(=O)O" . "O=C(c1ccc2c(c1)C(=CCC2(C)C)c1cnc2c(c1)cccc2)Nc1ccc(cc1)C(=O)O" . "WGLMBRZXZDAQHP-UHFFFAOYSA-N" . "InChI=1S/C29H24N2O3/c1-29(2)14-13-23(21-15-19-5-3-4-6-26(19)30-17-21)24-16-20(9-12-25(24)29)27(32)31-22-10-7-18(8-11-22)28(33)34/h3-13,15-17H,14H2,1-2H3,(H,31,32)(H,33,34)" . "CCCCCCC[N+](CCCCc1ccc(cc1)Cl)(CC)CC" . "CCCCCCC[N+](CCCCc1ccc(cc1)Cl)(CC)CC" . "WPSYTTKBGAZSCX-UHFFFAOYSA-N" . "InChI=1S/C21H37ClN/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20/h14-17H,4-13,18-19H2,1-3H3/q+1" . "CCCCCCCOc1cc2c(cc1C(=Cc1ccc(cc1)C(=O)O)C)C(C)(C)CCS2(=O)=O" . "CCCCCCCOc1cc2c(cc1/C(=C/c1ccc(cc1)C(=O)O)/C)C(C)(C)CCS2(=O)=O" . "JEIWQRITHXYGIF-LVZFUZTISA-N" . "InChI=1S/C28H36O5S/c1-5-6-7-8-9-15-33-25-19-26-24(28(3,4)14-16-34(26,31)32)18-23(25)20(2)17-21-10-12-22(13-11-21)27(29)30/h10-13,17-19H,5-9,14-16H2,1-4H3,(H,29,30)/b20-17+" . "OC(=O)c1ccc(cc1)C=Cc1ccc2c(c1)C(=CCC2(C)C)C#Cc1ccccc1" . "OC(=O)c1ccc(cc1)/C=C/c1ccc2c(c1)C(=CCC2(C)C)C#Cc1ccccc1" . "YCADIXLLWMXYKW-CMDGGOBGSA-N" . "InChI=1S/C29H24O2/c1-29(2)19-18-24(14-10-21-6-4-3-5-7-21)26-20-23(13-17-27(26)29)9-8-22-11-15-25(16-12-22)28(30)31/h3-9,11-13,15-18,20H,19H2,1-2H3,(H,30,31)/b9-8+" . "Cc1ccc(cc1)C1=CCC(c2c1cc(cc2)C#Cc1ccc(cc1)C(=O)O)(C)C" . "Cc1ccc(cc1)C1=CCC(c2c1cc(cc2)C#Cc1ccc(cc1)C(=O)O)(C)C" . "NCEQLLNVRRTCKJ-UHFFFAOYSA-N" . "InChI=1S/C28H24O2/c1-19-4-11-22(12-5-19)24-16-17-28(2,3)26-15-10-21(18-25(24)26)7-6-20-8-13-23(14-9-20)27(29)30/h4-5,8-16,18H,17H2,1-3H3,(H,29,30)" . "OC(=O)COc1cc(C)c(c(c1)C)Cc1ccc(c(c1)C(C)C)O" . "OC(=O)COc1cc(C)c(c(c1)C)Cc1ccc(c(c1)C(C)C)O" . "QNAZTOHXCZPOSA-UHFFFAOYSA-N" . "InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)" . "OC(=O)Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)O" . "OC(=O)Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)O" . "UOWZUVNAGUAEQC-UHFFFAOYSA-N" . "InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)" . "OC(=O)C(Cc1ccc(c(c1)I)Oc1cc(I)c(c(c1)I)O)N" . "OC(=O)C(Cc1ccc(c(c1)I)Oc1cc(I)c(c(c1)I)O)N" . "HZCBWYNLGPIQRK-UHFFFAOYSA-N" . "InChI=1S/C15H12I3NO4/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8/h1-3,5-6,12,20H,4,19H2,(H,21,22)" . "OC(=O)C(Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O)N" . "OC(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O)N" . "XUIIKFGFIJCVMT-LBPRGKRZSA-N" . "InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1" . "OC(=O)C(Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)O)N" . "OC(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)O)N" . "AUYYCJSJGJYCDS-LBPRGKRZSA-N" . "InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1" . "OC(=O)COc1cc(C)c(c(c1)C)Cc1cc(C(C)C)c(c(c1)C#Cc1ccc(cc1)[N+](=O)[O-])O" . "OC(=O)COc1cc(C)c(c(c1)C)Cc1cc(C(C)C)c(c(c1)C#Cc1ccc(cc1)[N+](=O)[O-])O" . "IXMROOKFPWGDGF-UHFFFAOYSA-N" . "InChI=1S/C28H27NO6/c1-17(2)25-14-21(15-26-18(3)11-24(12-19(26)4)35-16-27(30)31)13-22(28(25)32)8-5-20-6-9-23(10-7-20)29(33)34/h6-7,9-14,17,32H,15-16H2,1-4H3,(H,30,31)" . "CC(COc1c(C)cccc1C)N" . "CC(COc1c(C)cccc1C)N" . "VLPIATFUUWWMKC-UHFFFAOYSA-N" . "InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3" . "OC1CC23CC(C(C2O)CCC3C(C2C1(O)C(C)(C)C(C2)O)(C)O)(C)O" . "O[C@@H]1C[C@@]23C[C@@]([C@@H]([C@H]2O)CC[C@H]3[C@@]([C@H]2[C@@]1(O)C(C)(C)[C@H](C2)O)(C)O)(C)O" . "BWMFRQKICHXLSH-FIRPSQKQSA-N" . "InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10-,11+,12+,13+,14-,15-,17-,18-,19+,20+/m1/s1" . "COc1ccc(cc1OC)C(=O)OC1CCC2(C3C1(O)OC12CC2(C(C1CC3)(O)CC(C1(C2CN2CC(C)CCC2C1(C)O)O)O)O)C" . "COc1ccc(cc1OC)C(=O)O[C@H]1CC[C@]2([C@H]3[C@]1(O)O[C@]12C[C@@]2([C@@]([C@@H]1CC3)(O)C[C@@H]([C@]1([C@H]2CN2C[C@@H](C)CC[C@H]2[C@@]1(C)O)O)O)O)C" . "FVECELJHCSPHKY-YFUMOZOISA-N" . "InChI=1S/C36H51NO11/c1-19-6-11-26-31(3,40)35(43)25(17-37(26)16-19)33(42)18-34-24(32(33,41)15-27(35)38)10-9-23-30(34,2)13-12-28(36(23,44)48-34)47-29(39)20-7-8-21(45-4)22(14-20)46-5/h7-8,14,19,23-28,38,40-44H,6,9-13,15-18H2,1-5H3/t19-,23-,24-,25-,26-,27-,28-,30-,31+,32+,33+,34+,35-,36-/m0/s1" . "NC(=O)OCC1N=C(N)N2C3(C1NC(=N3)N)C(O)(O)CC2" . "NC(=O)OC[C@@H]1N=C(N)N2[C@@]3([C@H]1NC(=N3)N)C(O)(O)CC2" . "RPQXVSUAYFXFJA-HGRQIUPRSA-N" . "InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1" . "O=C1NC(=O)NC1(c1ccccc1)c1ccccc1" . "O=C1NC(=O)NC1(c1ccccc1)c1ccccc1" . "CXOFVDLJLONNDW-UHFFFAOYSA-N" . "InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)" . "CCN(CC(=O)Nc1c(C)cccc1C)CC" . "CCN(CC(=O)Nc1c(C)cccc1C)CC" . "NNJVILVZKWQKPM-UHFFFAOYSA-N" . "InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)" . "Nc1nnc(c(n1)N)c1cccc(c1Cl)Cl" . "Nc1nnc(c(n1)N)c1cccc(c1Cl)Cl" . "PYZRQGJRPPTADH-UHFFFAOYSA-N" . "InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)" . "CN1CCOC23C(C1)(CC(O)C14C3=CCC3C4(C)CCC(O1)(O)C3)C(=CC2)C(OC(=O)c1c(C)c[nH]c1C)C" . "CN1CCO[C@@]23[C@](C1)(C[C@@H](O)[C@]14C3=CC[C@H]3[C@]4(C)CC[C@](O1)(O)C3)C(=CC2)[C@@H](OC(=O)c1c(C)c[nH]c1C)C" . "ISNYUQWBWALXEY-OMIQOYQYSA-N" . "InChI=1S/C31H42N2O6/c1-18-16-32-19(2)25(18)26(35)38-20(3)22-8-9-30-23-7-6-21-14-29(36)11-10-27(21,4)31(23,39-29)24(34)15-28(22,30)17-33(5)12-13-37-30/h7-8,16,20-21,24,32,34,36H,6,9-15,17H2,1-5H3/t20-,21+,24+,27-,28-,29+,30-,31-/m0/s1" . "COCC12CN(CC)C3C4(C2C(OC)C3C2(C3C4CC(C3OC(=O)c3ccccc3)(C(C2O)OC)O)OC(=O)C)C(CC1O)OC" . "COC[C@@]12CN(CC)C3[C@]4([C@@H]2[C@@H](OC)[C@@H]3[C@@]2([C@@H]3[C@H]4C[C@@]([C@@H]3OC(=O)c3ccccc3)([C@H]([C@@H]2O)OC)O)OC(=O)C)[C@H](C[C@H]1O)OC" . "XFSBVAOIAHNAPC-XTHSEXKGSA-N" . "InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1" . "OCC1(O)C2OC3(OC1C1C(C2O)(C3O)NC(=NC1O)N)O" . "OC[C@@]1(O)[C@H]2O[C@]3(O[C@@H]1[C@H]1[C@@]([C@H]2O)([C@@H]3O)NC(=N[C@@H]1O)N)O" . "CFMYXEVWODSLAX-QYIGHCJRSA-N" . "InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3+,4-,5+,6-,7+,9+,10-,11+/m1/s1" . "O=C(c1c(O)c(Cc2c(O)c(C)c(c(c2O)C(=O)C)O)c(c2c1OC(C)(C)C=C2)O)C=Cc1ccccc1" . "O=C(c1c(O)c(Cc2c(O)c(C)c(c(c2O)C(=O)C)O)c(c2c1OC(C)(C)C=C2)O)/C=C/c1ccccc1" . "DEZFNHCVIZBHBI-ZHACJKMWSA-N" . "InChI=1S/C30H28O8/c1-15-24(33)19(27(36)22(16(2)31)25(15)34)14-20-26(35)18-12-13-30(3,4)38-29(18)23(28(20)37)21(32)11-10-17-8-6-5-7-9-17/h5-13,33-37H,14H2,1-4H3/b11-10+" . "OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O" . "OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O" . "GUGOEEXESWIERI-UHFFFAOYSA-N" . "InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3" . "N#Cc1ccc2c(c1)CCC(C2)N1CCC2(CC1)CC(O)c1c(O2)ccc(c1)NS(=O)(=O)C" . "N#Cc1ccc2c(c1)CC[C@H](C2)N1CCC2(CC1)C[C@@H](O)c1c(O2)ccc(c1)NS(=O)(=O)C" . "NIYGLRKUBPNXQS-FYYLOGMGSA-N" . "InChI=1S/C25H29N3O4S/c1-33(30,31)27-20-5-7-24-22(14-20)23(29)15-25(32-24)8-10-28(11-9-25)21-6-4-18-12-17(16-26)2-3-19(18)13-21/h2-3,5,7,12,14,21,23,27,29H,4,6,8-11,13,15H2,1H3/t21-,23-/m1/s1" . "CCCCCCCN(CCCCc1ccc(cc1)[N+](=O)[O-])CC" . "CCCCCCCN(CCCCc1ccc(cc1)[N+](=O)[O-])CC" . "YTYATOMQOOFRNA-UHFFFAOYSA-N" . "InChI=1S/C19H32N2O2/c1-3-5-6-7-9-16-20(4-2)17-10-8-11-18-12-14-19(15-13-18)21(22)23/h12-15H,3-11,16-17H2,1-2H3" . "Cc1cccc(n1)CCN1CCC(CC1)C(=O)c1ccc(cc1)NS(=O)(=O)C" . "Cc1cccc(n1)CCN1CCC(CC1)C(=O)c1ccc(cc1)NS(=O)(=O)C" . "SRUISGSHWFJION-UHFFFAOYSA-N" . "InChI=1S/C21H27N3O3S/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27/h3-9,18,23H,10-15H2,1-2H3" . "CN(CCc1ccc(cc1)NS(=O)(=O)C)CCOc1ccc(cc1)NS(=O)(=O)C" . "CN(CCc1ccc(cc1)NS(=O)(=O)C)CCOc1ccc(cc1)NS(=O)(=O)C" . "IXTMWRCNAAVVAI-UHFFFAOYSA-N" . "InChI=1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3" . "COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2" . "COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2" . "GXDALQBWZGODGZ-UHFFFAOYSA-N" . "InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)" . "CCOC(=O)Nc1ccc(cc1N)NCc1ccc(cc1)F" . "CCOC(=O)Nc1ccc(cc1N)NCc1ccc(cc1)F" . "PCOBBVZJEWWZFR-UHFFFAOYSA-N" . "InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)" . "O=C(NC(c1cccc(c1)N1CCOCC1)C)C=Cc1ccccc1" . "O=C(N[C@H](c1cccc(c1)N1CCOCC1)C)/C=C/c1ccccc1" . "QMIMHUDEVKGOTQ-DVQDXYAYSA-N" . "InChI=1S/C21H24N2O2/c1-17(22-21(24)11-10-18-6-3-2-4-7-18)19-8-5-9-20(16-19)23-12-14-25-15-13-23/h2-11,16-17H,12-15H2,1H3,(H,22,24)/b11-10+/t17-/m0/s1" . "O=C1N(c2ccccc2)c2c(C1(Cc1ccncc1)Cc1ccncc1)cccc2" . "O=C1N(c2ccccc2)c2c(C1(Cc1ccncc1)Cc1ccncc1)cccc2" . "YEJCDKJIEMIWRQ-UHFFFAOYSA-N" . "InChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2" . "CCOC(=O)Nc1ccc(nc1N)NCc1ccc(cc1)F" . "CCOC(=O)Nc1ccc(nc1N)NCc1ccc(cc1)F" . "JUUFBMODXQKSTD-UHFFFAOYSA-N" . "InChI=1S/C15H17FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20)" . "[S-]c1cccc[n+]1[O-].[S-]c1cccc[n+]1[O-].[Zn+2]" . "[S-]c1cccc[n+]1[O-].[S-]c1cccc[n+]1[O-].[Zn+2]" . "OTPSWLRZXRHDNX-UHFFFAOYSA-L" . "InChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,8H;/q;;+2/p-2" . "O=C1c2ccccc2C(c2c1cccc2)(Cc1ccncc1)Cc1ccncc1" . "O=C1c2ccccc2C(c2c1cccc2)(Cc1ccncc1)Cc1ccncc1" . "KHJFBUUFMUBONL-UHFFFAOYSA-N" . "InChI=1S/C26H20N2O/c29-25-21-5-1-3-7-23(21)26(17-19-9-13-27-14-10-19,18-20-11-15-28-16-12-20)24-8-4-2-6-22(24)25/h1-16H,17-18H2" . "O=C1C(N=C(c2c(N1C)cccc2)c1ccccc1F)Cc1c[nH]c2c1cccc2" . "O=C1[C@H](N=C(c2c(N1C)cccc2)c1ccccc1F)Cc1c[nH]c2c1cccc2" . "CGBANSGENFERAT-JOCHJYFZSA-N" . "InChI=1S/C25H20FN3O/c1-29-23-13-7-4-10-19(23)24(18-9-2-5-11-20(18)26)28-22(25(29)30)14-16-15-27-21-12-6-3-8-17(16)21/h2-13,15,22,27H,14H2,1H3/t22-/m1/s1" . "OC(=O)c1ccccc1Nc1cccc(c1C)C" . "OC(=O)c1ccccc1Nc1cccc(c1C)C" . "HYYBABOKPJLUIN-UHFFFAOYSA-N" . "InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)" . "O=C(NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2)C=Cc1ccc(cc1Cl)Cl" . "O=C(N[C@@H]1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2)/C=C/c1ccc(cc1Cl)Cl" . "BYULDQRRUINTAA-SWDTZWKESA-N" . "InChI=1S/C25H19Cl2N3O2/c1-30-21-10-6-5-9-19(21)23(17-7-3-2-4-8-17)29-24(25(30)32)28-22(31)14-12-16-11-13-18(26)15-20(16)27/h2-15,24H,1H3,(H,28,31)/b14-12+/t24-/m1/s1" . "CCCCN(S(=O)(=O)CC)C1CC(C)(C)Oc2c1cc(C#N)cc2" . "CCCCN(S(=O)(=O)CC)C1CC(C)(C)Oc2c1cc(C#N)cc2" . "VTICUGOJGKDYJD-UHFFFAOYSA-N" . "InChI=1S/C18H26N2O3S/c1-5-7-10-20(24(21,22)6-2)16-12-18(3,4)23-17-9-8-14(13-19)11-15(16)17/h8-9,11,16H,5-7,10,12H2,1-4H3" . "CCS(=O)(=O)N(C1c2cc(OCCCC(F)(F)F)ccc2OC(C1O)(C)C)C" . "CCS(=O)(=O)N([C@H]1c2cc(OCCCC(F)(F)F)ccc2OC([C@@H]1O)(C)C)C" . "YBZQPPIQXNWGEX-JKSUJKDBSA-N" . "InChI=1S/C18H26F3NO5S/c1-5-28(24,25)22(4)15-13-11-12(26-10-6-9-18(19,20)21)7-8-14(13)27-17(2,3)16(15)23/h7-8,11,15-16,23H,5-6,9-10H2,1-4H3/t15-,16+/m0/s1" . "O=C1CC(Oc2c1cccc2)c1ccccc1" . "O=C1CC(Oc2c1cccc2)c1ccccc1" . "ZONYXWQDUYMKFB-UHFFFAOYSA-N" . "InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2" . "CCS(=O)(=O)N(C1C(O)C(C)(C)Oc2c1cc(cc2)C#N)C" . "CCS(=O)(=O)N([C@@H]1[C@@H](O)C(C)(C)Oc2c1cc(cc2)C#N)C" . "HVSJHHXUORMCGK-UONOGXRCSA-N" . "InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m0/s1" . "CN1CCN(CC1)CCCCN1C(=O)CN(C1=O)N=Cc1ccc(o1)c1ccc(cc1)Cl" . "CN1CCN(CC1)CCCCN1C(=O)CN(C1=O)/N=C/c1ccc(o1)c1ccc(cc1)Cl" . "MREBEPTUUMTTIA-PCLIKHOPSA-N" . "InChI=1S/C23H28ClN5O3/c1-26-12-14-27(15-13-26)10-2-3-11-28-22(30)17-29(23(28)31)25-16-20-8-9-21(32-20)18-4-6-19(24)7-5-18/h4-9,16H,2-3,10-15,17H2,1H3/b25-16+" . "CC(CC(C1(CCC1)c1ccc(cc1)Cl)N(C)C)C" . "CC(CC(C1(CCC1)c1ccc(cc1)Cl)N(C)C)C" . "UNAANXDKBXWMLN-UHFFFAOYSA-N" . "InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3" . "CN1CCCC1c1cccnc1" . "CN1CCC[C@H]1c1cccnc1" . "SNICXCGAKADSCV-JTQLQIEISA-N" . "InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CS)C(C)C)CS)CCCN=C(N)N)CC(=O)N)C(CC)C)CS)CCCCN)C)C)C(C)C)C(CC)C)C)NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(CCC(=O)N)N)CCC(=O)O)CC(=O)N)CCCCN)CS)CCC(=O)N)CO)CS)C)CO)CS)CCCN=C(N)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)C(C)C)[C@@H](C)CC)C(C)C" . "OVMOLHUEGARLEO-FPJBZLIISA-N" . "InChI=1S/C140H246N48O45S6/c1-20-66(13)106(130(224)159-52-99(200)181-101(61(3)4)131(225)163-69(16)110(204)160-68(15)109(203)156-50-97(198)164-74(30-22-25-41-141)117(211)177-89(59-238)129(223)187-107(67(14)21-2)136(230)172-81(46-93(147)194)115(209)158-51-98(199)165-75(33-28-44-153-139(149)150)118(212)176-88(58-237)128(222)185-105(65(11)12)135(229)180-90(60-239)138(232)233)186-112(206)71(18)161-116(210)76(31-23-26-42-142)167-119(213)78(34-29-45-154-140(151)152)168-127(221)87(57-236)179-134(228)104(64(9)10)184-124(218)84(54-190)174-111(205)70(17)162-125(219)85(55-234)178-123(217)83(53-189)166-96(197)49-155-95(196)48-157-114(208)79(36-39-92(146)193)169-126(220)86(56-235)175-120(214)77(32-24-27-43-143)170-133(227)103(63(7)8)183-122(216)82(47-94(148)195)173-137(231)108(72(19)191)188-121(215)80(37-40-100(201)202)171-132(226)102(62(5)6)182-113(207)73(144)35-38-91(145)192/h61-90,101-108,189-191,234-239H,20-60,141-144H2,1-19H3,(H2,145,192)(H2,146,193)(H2,147,194)(H2,148,195)(H,155,196)(H,156,203)(H,157,208)(H,158,209)(H,159,224)(H,160,204)(H,161,210)(H,162,219)(H,163,225)(H,164,198)(H,165,199)(H,166,197)(H,167,213)(H,168,221)(H,169,220)(H,170,227)(H,171,226)(H,172,230)(H,173,231)(H,174,205)(H,175,214)(H,176,212)(H,177,211)(H,178,217)(H,179,228)(H,180,229)(H,181,200)(H,182,207)(H,183,216)(H,184,218)(H,185,222)(H,186,206)(H,187,223)(H,188,215)(H,201,202)(H,232,233)(H4,149,150,153)(H4,151,152,154)/t66-,67-,68-,69-,70-,71-,72+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,101-,102-,103-,104-,105-,106-,107-,108-/m0/s1" . "CCCC(C1(CC)C(=O)NC(=S)NC1=O)C" . "CCCC(C1(CC)C(=O)NC(=S)NC1=O)C" . "IUJDSEJGGMCXSG-UHFFFAOYSA-N" . "InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)" . "C1CN2CCN1CC2" . "C1CN2CCN1CC2" . "IMNIMPAHZVJRPE-UHFFFAOYSA-N" . "InChI=1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2" . "CCCCCCCCCCCCCCCC[N+]12CCN(CC1)CC2" . "CCCCCCCCCCCCCCCC[N+]12CCN(CC1)CC2" . "YPKLQHHICPWJRD-UHFFFAOYSA-N" . "InChI=1S/C22H45N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-20-16-23(17-21-24)18-22-24/h2-22H2,1H3/q+1" . "Oc1cccc(c1O)C1CC2CC1CC2" . "Oc1cccc(c1O)C1CC2CC1CC2" . "DWWJNUSFHLSDSW-UHFFFAOYSA-N" . "InChI=1S/C13H16O2/c14-12-3-1-2-10(13(12)15)11-7-8-4-5-9(11)6-8/h1-3,8-9,11,14-15H,4-7H2" . "Clc1ccc(c(c1)Cl)C1(OCC(O1)COc1ccc(cc1)N1CCN(CC1)C(=O)C)Cn1cncc1" . "Clc1ccc(c(c1)Cl)C1(OCC(O1)COc1ccc(cc1)N1CCN(CC1)C(=O)C)Cn1cncc1" . "XMAYWYJOQHXEEK-UHFFFAOYSA-N" . "InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3" . "C1CCC2(C1)C1CN(CC2CN(C1)CC1CC1)CC1CC1" . "C1CCC2(C1)C1CN(CC2CN(C1)CC1CC1)CC1CC1" . "CTIRHWCPXYGDGF-UHFFFAOYSA-N" . "InChI=1S/C19H32N2/c1-2-8-19(7-1)17-11-20(9-15-3-4-15)12-18(19)14-21(13-17)10-16-5-6-16/h15-18H,1-14H2" . "CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2" . "CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2" . "IYIKLHRQXLHMJQ-UHFFFAOYSA-N" . "InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3" . "O=C(NCc1ccccc1c1ccccc1C(=O)NCCc1ccccn1)OCc1ccccc1" . "O=C(NCc1ccccc1c1ccccc1C(=O)NCCc1ccccn1)OCc1ccccc1" . "FLOLVFLAXFXKBU-UHFFFAOYSA-N" . "InChI=1S/C29H27N3O3/c33-28(31-19-17-24-13-8-9-18-30-24)27-16-7-6-15-26(27)25-14-5-4-12-23(25)20-32-29(34)35-21-22-10-2-1-3-11-22/h1-16,18H,17,19-21H2,(H,31,33)(H,32,34)" . "CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O" . "CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O" . "JWHAUXFOSRPERK-UHFFFAOYSA-N" . "InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3" . "O=C(c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)NCC1CCCCN1" . "O=C(c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)NCC1CCCCN1" . "DJBNUMBKLMJRSA-UHFFFAOYSA-N" . "InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)" . "COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C" . "COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C" . "ZBBHBTPTTSWHBA-UHFFFAOYSA-N" . "InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3" . "CCCCCN=c1ccn(c2c1cccc2)Cc1ccccc1" . "CCCCCN=c1ccn(c2c1cccc2)Cc1ccccc1" . "MMGAVKCAGQCFHS-UHFFFAOYSA-N" . "InChI=1S/C21H24N2/c1-2-3-9-15-22-20-14-16-23(17-18-10-5-4-6-11-18)21-13-8-7-12-19(20)21/h4-8,10-14,16H,2-3,9,15,17H2,1H3" . "COC(=O)C12OC1C(=C)CC1(C2(C)C(OC(=O)C)C(OC(=O)C)C2(C1CCC1(C2C(OC(=O)C)C(OC(=O)C)C2(C1C=CC(=O)OC2)C(OC(=O)C)C)C)C)O" . "COC(=O)[C@@]12O[C@@H]1C(=C)C[C@@]1([C@@]2(C)[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@]2([C@H]1CC[C@@]1([C@@H]2[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@]2([C@H]1C=CC(=O)OC2)C(OC(=O)C)C)C)C)O" . "VKDXHXWBOARFPD-IHWRNOMOSA-N" . "InChI=1S/C40H52O16/c1-18-16-39(48)26-14-15-35(8)25-12-13-27(46)50-17-38(25,19(2)51-20(3)41)31(53-22(5)43)28(52-21(4)42)29(35)36(26,9)32(54-23(6)44)33(55-24(7)45)37(39,10)40(30(18)56-40)34(47)49-11/h12-13,19,25-26,28-33,48H,1,14-17H2,2-11H3/t19?,25-,26+,28-,29-,30+,31-,32+,33-,35-,36-,37+,38+,39+,40-/m0/s1" . "O=c1ccc2c(o1)cc1c(c2OCCCCOc2ccccc2)cco1" . "O=c1ccc2c(o1)cc1c(c2OCCCCOc2ccccc2)cco1" . "KINMYBBFQRSVLL-UHFFFAOYSA-N" . "InChI=1S/C21H18O5/c22-20-9-8-16-19(26-20)14-18-17(10-13-24-18)21(16)25-12-5-4-11-23-15-6-2-1-3-7-15/h1-3,6-10,13-14H,4-5,11-12H2" . "NCCCCC1NC(=O)C(CCCNC(=N)N)NC(=O)C2CSSCC(NC(=O)C(NC(=O)C(CSSCC(NC(=O)C(NC1=O)C(CC)C)C(=O)NCC(=O)NC(C(=O)NC(C(=O)N)CC(=O)N)CCCCN)NC(=O)C(NC(=O)C(C(CC)C)N)CCCCN)CC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC1N=CN=C1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)N2)C(CC)C)CC2N=CN=C2)CCC1)CCCCN)C(CC)C)C(C)C" . "NCCCCC1NC(=O)C(CCCNC(=N)N)NC(=O)C2CSSCC(NC(=O)C(NC(=O)C(CSSCC(NC(=O)C(NC1=O)C(CC)C)C(=O)NCC(=O)NC(C(=O)NC(C(=O)N)CC(=O)N)CCCCN)NC(=O)C(NC(=O)C(C(CC)C)N)CCCCN)CC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC1N=CN=C1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)N2)C(CC)C)CC2N=CN=C2)CCC1)CCCCN)C(CC)C)C(C)C" . "QMBRLNFAEHGOLY-UHFFFAOYSA-N" . "InChI=1S/C110H192N40O24S4/c1-11-58(7)83(118)103(169)136-66(30-17-22-38-113)94(160)142-77-53-176-175-51-75(89(155)128-50-82(153)131-64(28-15-20-36-111)90(156)138-71(88(119)154)46-80(116)151)144-106(172)85(59(8)12-2)147-95(161)67(31-18-23-39-114)132-92(158)68(33-25-41-126-109(120)121)135-100(166)78-54-178-177-52-76(143-96(162)74(47-81(117)152)140-101(77)167)99(165)134-65(29-16-21-37-112)91(157)133-69(34-26-42-127-110(122)123)93(159)139-72(44-62-48-124-55-129-62)97(163)146-84(57(5)6)104(170)149-87(61(10)14-4)105(171)137-70(32-19-24-40-115)108(174)150-43-27-35-79(150)102(168)141-73(45-63-49-125-56-130-63)98(164)148-86(60(9)13-3)107(173)145-78/h48-49,55-79,83-87H,11-47,50-54,111-115,118H2,1-10H3,(H2,116,151)(H2,117,152)(H2,119,154)(H,128,155)(H,131,153)(H,132,158)(H,133,157)(H,134,165)(H,135,166)(H,136,169)(H,137,171)(H,138,156)(H,139,159)(H,140,167)(H,141,168)(H,142,160)(H,143,162)(H,144,172)(H,145,173)(H,146,163)(H,147,161)(H,148,164)(H,149,170)(H4,120,121,126)(H4,122,123,127)" . "NCCCCC1NC(=O)C(C)NC(=O)CNC(=O)C(CCCCN)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(N)CSSCC2C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC3CSSCC(NC1=O)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)NC(Cc1ccc(cc1)O)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)N2)CSSCC(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC3=O)CCCNC(=N)N)CO)CCCCN)C(=O)N)CO)C(O)C" . "NCCCC[C@@H]1NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H]3CSSC[C@H](NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N2)CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC3=O)CCCNC(=N)N)CO)CCCCN)C(=O)N)CO)[C@H](O)C" . "BPKIMPVREBSLAJ-QTBYCLKRSA-N" . "InChI=1S/C102H172N36O32S7/c1-50(2)34-63-91(161)127-62(26-33-171-5)90(160)129-64(35-53-22-24-54(143)25-23-53)92(162)130-65(36-78(148)149)93(163)135-72-48-175-173-45-69(80(108)150)133-86(156)58(18-8-12-29-105)121-76(146)39-117-85(155)66(41-139)131-88(158)61(21-15-32-114-102(111)112)126-96(166)70-46-176-177-47-71(97(167)132-68(43-141)95(165)125-60(87(157)128-63)20-14-31-113-101(109)110)134-89(159)59(19-9-13-30-106)123-81(151)51(3)119-74(144)37-115-83(153)56(16-6-10-27-103)120-75(145)38-116-84(154)57(17-7-11-28-104)124-82(152)55(107)44-172-174-49-73(137-98(72)168)99(169)138-79(52(4)142)100(170)118-40-77(147)122-67(42-140)94(164)136-70/h22-25,50-52,55-73,79,139-143H,6-21,26-49,103-107H2,1-5H3,(H2,108,150)(H,115,153)(H,116,154)(H,117,155)(H,118,170)(H,119,144)(H,120,145)(H,121,146)(H,122,147)(H,123,151)(H,124,152)(H,125,165)(H,126,166)(H,127,161)(H,128,157)(H,129,160)(H,130,162)(H,131,158)(H,132,167)(H,133,156)(H,134,159)(H,135,163)(H,136,164)(H,137,168)(H,138,169)(H,148,149)(H4,109,110,113)(H4,111,112,114)/t51-,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,79-/m0/s1" . "CCCCCC=CCC=CCC=CCC=CCCCC(=O)NC(CO)C" . "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)N[C@@H](CO)C" . "SQKRUBZPTNJQEM-FQPARAGTSA-N" . "InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-22(2)21-25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-/t22-/m1/s1" . "FC(OC(C(F)(F)F)Cl)F" . "FC(OC(C(F)(F)F)Cl)F" . "PIWKPBJCKXDKJR-UHFFFAOYSA-N" . "InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccc(cc1)O)CS)CCCNC(=N)N)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C1CC(CN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C1CC(CN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1CC(CN1C(=O)C(NC(=O)C(NC(=O)C(CS)N)CCCCN)CO)O)CO)CO)CS)CO)O)CO)Cc1ccc(cc1)O)CC(=O)N)CS)CS)CCCNC(=N)N)CO)CS)CC(=O)N)O)Cc1ccc(cc1)O" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccc(cc1)O)CS)CCCNC(=N)N)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)N)CCCCN)CO)O)CO)CO)CS)CO)O)CO)Cc1ccc(cc1)O)CC(=O)N)CS)CS)CCCNC(=N)N)CO)CS)CC(=O)N)O)Cc1ccc(cc1)O" . "XJKFZICVAPPHCK-NZPQQUJLSA-N" . "InChI=1S/C120H188N38O43S6/c1-53(165)91(114(197)138-66(10-4-6-26-122)95(178)136-68(12-8-28-132-120(129)130)98(181)149-81(49-204)107(190)139-69(93(126)176)29-55-13-19-58(167)20-14-55)154-101(184)71(31-57-17-23-60(169)24-18-57)142-112(195)86-33-62(171)39-157(86)116(199)73(36-89(125)174)143-108(191)82(50-205)151-104(187)75(42-160)144-96(179)67(11-7-27-131-119(127)128)137-106(189)80(48-203)153-110(193)84(52-207)150-100(183)72(35-88(124)173)141-99(182)70(30-56-15-21-59(168)22-16-56)140-103(186)77(44-162)146-115(198)92(54(2)166)155-113(196)87-34-63(172)40-158(87)118(201)79(46-164)148-109(192)83(51-206)152-105(188)76(43-161)145-102(185)74(41-159)134-90(175)37-133-111(194)85-32-61(170)38-156(85)117(200)78(45-163)147-97(180)65(9-3-5-25-121)135-94(177)64(123)47-202/h13-24,53-54,61-87,91-92,159-172,202-207H,3-12,25-52,121-123H2,1-2H3,(H2,124,173)(H2,125,174)(H2,126,176)(H,133,194)(H,134,175)(H,135,177)(H,136,178)(H,137,189)(H,138,197)(H,139,190)(H,140,186)(H,141,182)(H,142,195)(H,143,191)(H,144,179)(H,145,185)(H,146,198)(H,147,180)(H,148,192)(H,149,181)(H,150,183)(H,151,187)(H,152,188)(H,153,193)(H,154,184)(H,155,196)(H4,127,128,131)(H4,129,130,132)/t53-,54-,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,91+,92+/m1/s1" . "COC(=O)C1=C(C)NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OCC(C)C)C" . "COC(=O)C1=C(C)NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OCC(C)C)C" . "VKQFCGNPDRICFG-UHFFFAOYSA-N" . "InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3" . "COCCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC(C)C)C" . "COCCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC(C)C)C" . "UIAGMCDKSXEBJQ-UHFFFAOYSA-N" . "InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3" . "Cn1cnc2c1c(=O)n(C)c(=O)n2C" . "Cn1cnc2c1c(=O)n(C)c(=O)n2C" . "RYYVLZVUVIJVGH-UHFFFAOYSA-N" . "InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3" . "COCC(=O)OC1(CCN(CCCc2nc3c([nH]2)cccc3)C)CCc2c(C1C(C)C)ccc(c2)F" . "COCC(=O)O[C@]1(CCN(CCCc2nc3c([nH]2)cccc3)C)CCc2c([C@@H]1C(C)C)ccc(c2)F" . "HBNPJJILLOYFJU-VMPREFPWSA-N" . "InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1" . "CC1=C(C(=O)OCCN(c2ccccc2)Cc2ccccc2)C(C(=C(N1)C)P1(=O)OCC(CO1)(C)C)c1cccc(c1)[N+](=O)[O-]" . "CC1=C(C(=O)OCCN(c2ccccc2)Cc2ccccc2)[C@H](C(=C(N1)C)P1(=O)OCC(CO1)(C)C)c1cccc(c1)[N+](=O)[O-]" . "NSVFSAJIGAJDMR-WJOKGBTCSA-N" . "InChI=1S/C34H38N3O7P/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(3,4)23-44-45/h5-17,20,31,35H,18-19,21-23H2,1-4H3/t31-/m1/s1" . "COC(=O)c1c(C)[nH]c(c1C(=O)c1ccccc1Cc1ccccc1)C" . "COC(=O)c1c(C)[nH]c(c1C(=O)c1ccccc1Cc1ccccc1)C" . "MDMWHKZANMNXTF-UHFFFAOYSA-N" . "InChI=1S/C22H21NO3/c1-14-19(20(15(2)23-14)22(25)26-3)21(24)18-12-8-7-11-17(18)13-16-9-5-4-6-10-16/h4-12,23H,13H2,1-3H3" . "COc1cccc(c1)CCN(CCCC(c1ccc(c(c1)OC)OC)(C(C)C)C#N)C" . "COc1cccc(c1)CCN(CCC[C@@](c1ccc(c(c1)OC)OC)(C(C)C)C#N)C" . "VMVKIDPOEOLUFS-SANMLTNESA-N" . "InChI=1S/C26H36N2O3/c1-20(2)26(19-27,22-11-12-24(30-5)25(18-22)31-6)14-8-15-28(3)16-13-21-9-7-10-23(17-21)29-4/h7,9-12,17-18,20H,8,13-16H2,1-6H3/t26-/m0/s1" . "COc1cccc(c1)CCN(CCCC(c1ccc(c(c1)OC)OC)(C(C)C)C#N)C" . "COc1cccc(c1)CCN(CCC[C@@](c1ccc(c(c1)OC)OC)(C(C)C)C#N)C" . "VMVKIDPOEOLUFS-SANMLTNESA-N" . "InChI=1S/C26H36N2O3/c1-20(2)26(19-27,22-11-12-24(30-5)25(18-22)31-6)14-8-15-28(3)16-13-21-9-7-10-23(17-21)29-4/h7,9-12,17-18,20H,8,13-16H2,1-6H3/t26-/m0/s1" . "COC(=O)C1=C(C)NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OC)C" . "COC(=O)C1=C(C)NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OC)C" . "HYIMSNHJOBLJNT-UHFFFAOYSA-N" . "InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3" . "COC(=O)C1=C(C)NC(=C(C1c1cccc2c1non2)C(=O)OC(C)C)C" . "COC(=O)C1=C(C)NC(=C([C@H]1c1cccc2c1non2)C(=O)OC(C)C)C" . "HMJIYCCIJYRONP-INIZCTEOSA-N" . "InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,20H,1-5H3/t16-/m0/s1" . "COc1ccc(cc1)C1Sc2ccccc2N(C(=O)C1OC(=O)C)CCN(C)C" . "COc1ccc(cc1)C1Sc2ccccc2N(C(=O)C1OC(=O)C)CCN(C)C" . "HSUGRBWQSSZJOP-UHFFFAOYSA-N" . "InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3" . "COC(=O)C1=C(C)NC(=C(C1c1ccccc1C(F)(F)F)[N+](=O)[O-])C" . "COC(=O)C1=C(C)NC(=C(C1c1ccccc1C(F)(F)F)[N+](=O)[O-])C" . "ZFLWDHHVRRZMEI-UHFFFAOYSA-N" . "InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,20H,1-3H3" . "C=CC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)O" . "C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O" . "LOUPRKONTZGTKE-WZBLMQSHSA-N" . "InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1" . "OC(COP(=O)(OCC[N+](C)(C)C)[O-])COC(=O)C" . "O[C@@H](COP(=O)(OCC[N+](C)(C)C)[O-])COC(=O)C" . "RYCNUMLMNKHWPZ-SNVBAGLBSA-N" . "InChI=1S/C10H22NO7P/c1-9(12)16-7-10(13)8-18-19(14,15)17-6-5-11(2,3)4/h10,13H,5-8H2,1-4H3/t10-/m1/s1" . "CCC(C(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccccc1)Cc1nc[nH]c1)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(CC(=O)O)N)CCCN=C(N)N)Cc1ccc(cc1)O)C" . "CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)Cc1ccccc1)Cc1nc[nH]c1)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)CCCN=C(N)N)Cc1ccc(cc1)O)C" . "CZGUSIXMZVURDU-JZXHSEFVSA-N" . "InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1" . "ClC(Cl)Cl" . "ClC(Cl)Cl" . "HEDRZPFGACZZDS-UHFFFAOYSA-N" . "InChI=1S/CHCl3/c2-1(3)4/h1H" . "OCC1(C)C(O)CCC2(C1CCC(=C)C2C=CC1=CC(OC1=O)C(C1=CCOC1=O)CC1C(=C)CCC2C1(C)CCC(C2(C)CO)O)C" . "OC[C@]1(C)[C@H](O)CC[C@@]2([C@@H]1CCC(=C)[C@H]2/C=C/C1=CC(OC1=O)C(C1=CCOC1=O)C[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CC[C@H]([C@@]2(C)CO)O)C" . "WQHWOZANSOUSAY-LZBAHHAZSA-N" . "InChI=1S/C40H56O8/c1-23-7-11-31-37(3,16-13-33(43)39(31,5)21-41)28(23)10-9-25-19-30(48-35(25)45)27(26-15-18-47-36(26)46)20-29-24(2)8-12-32-38(29,4)17-14-34(44)40(32,6)22-42/h9-10,15,19,27-34,41-44H,1-2,7-8,11-14,16-18,20-22H2,3-6H3/b10-9+/t27?,28-,29-,30?,31+,32+,33-,34-,37+,38+,39+,40+/m1/s1" . "CCCCCCCCCCCCCC=CC(C(N(C)C)CO)O" . "CCCCCCCCCCCCC/C=C/[C@@H]([C@H](N(C)C)CO)O" . "YRXOQXUDKDCXME-QWKHPXNBSA-N" . "InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m1/s1" . "CCCCCCCCCC(=O)OC1C(C)C2(O)C(C3C1(OC(=O)CCCCCCCCC)C3(C)C)C=C(CC1(C2C=C(C1=O)C)O)CO" . "CCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@H]([C@H]3[C@]1(OC(=O)CCCCCCCCC)C3(C)C)C=C(C[C@@]1([C@H]2C=C(C1=O)C)O)CO" . "DGOSGFYDFDYMCW-OEFRVDPMSA-N" . "InChI=1S/C40H64O8/c1-7-9-11-13-15-17-19-21-32(42)47-36-28(4)39(46)30(24-29(26-41)25-38(45)31(39)23-27(3)35(38)44)34-37(5,6)40(34,36)48-33(43)22-20-18-16-14-12-10-8-2/h23-24,28,30-31,34,36,41,45-46H,7-22,25-26H2,1-6H3/t28-,30+,31-,34-,36-,38+,39-,40-/m1/s1" . "Cc1ccc(c(c1)O)C(C)C" . "Cc1ccc(c(c1)O)C(C)C" . "MGSRCZKZVOBKFT-UHFFFAOYSA-N" . "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3" . "c1ccc(cc1)C1(CCCO1)c1ccccc1" . "c1ccc(cc1)C1(CCCO1)c1ccccc1" . "ONRSPOWNRLCCGF-UHFFFAOYSA-N" . "InChI=1S/C16H16O/c1-3-8-14(9-4-1)16(12-7-13-17-16)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2" . "CC(c1ccc(c(c1)O)C)C" . "CC(c1ccc(c(c1)O)C)C" . "RECUKUPTGUEGMW-UHFFFAOYSA-N" . "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3" . "O(B(c1ccccc1)c1ccccc1)B(c1ccccc1)c1ccccc1" . "O(B(c1ccccc1)c1ccccc1)B(c1ccccc1)c1ccccc1" . "SNQFEECGHGUHBK-UHFFFAOYSA-N" . "InChI=1S/C24H20B2O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H" . "COc1cc(CC(=O)OCC2=CC3C4OC5(OC3(C3C(C2)(O)C(=O)C(=C3)C)C(CC4(O5)C(=C)C)C)Cc2ccccc2)cc(c1O)I" . "COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(O[C@]3([C@H]3[C@@](C2)(O)C(=O)C(=C3)C)[C@@H](C[C@@]4(O5)C(=C)C)C)Cc2ccccc2)cc(c1O)[125I]" . "TZUJORCXGLGWDV-FOFZJNPASA-N" . "InChI=1S/C37H39IO9/c1-20(2)35-16-22(4)37-26(33(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)12-25(17-34(42)29(37)11-21(3)32(34)41)19-44-30(39)15-24-13-27(38)31(40)28(14-24)43-5/h6-14,22,26,29,33,40,42H,1,15-19H2,2-5H3/t22-,26+,29-,33-,34-,35-,36-,37-/m1/s1/i38-2" . "COc1cc(ccc1O)CC(=O)OCC1=CC2C3OC4(OC2(C2C(C1)(O)C(=O)C(=C2)C)C(CC3(O4)C(=C)C)C)Cc1ccccc1" . "COc1cc(ccc1O)CC(=O)OCC1=C[C@H]2[C@H]3O[C@]4(O[C@]2([C@H]2[C@@](C1)(O)C(=O)C(=C2)C)[C@@H](C[C@@]3(O4)C(=C)C)C)Cc1ccccc1" . "DSDNAKHZNJAGHN-MXTYGGKSSA-N" . "InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36-,37-/m1/s1" . "COc1cc(ccc1O)CC(=O)OCC1=CC2C3C(C3(OC(=O)C)C(C(C2(C2C(C1)(O)C(=O)C(=C2)C)O)C)OC(=O)Cc1ccccc1)(C)C" . "COc1cc(ccc1O)CC(=O)OCC1=C[C@H]2[C@@H]3C([C@]3(OC(=O)C)[C@@H]([C@H]([C@@]2([C@H]2[C@@](C1)(O)C(=O)C(=C2)C)O)C)OC(=O)Cc1ccccc1)(C)C" . "OGRGWTXWAZBJKF-JXWJAAHMSA-N" . "InChI=1S/C39H44O11/c1-21-14-30-37(45,34(21)44)19-26(20-48-31(42)18-25-12-13-28(41)29(16-25)47-6)15-27-33-36(4,5)39(33,50-23(3)40)35(22(2)38(27,30)46)49-32(43)17-24-10-8-7-9-11-24/h7-16,22,27,30,33,35,41,45-46H,17-20H2,1-6H3/t22-,27+,30-,33-,35-,37-,38-,39-/m1/s1" . "O=C(N1CCCCC1)C=CC=Cc1ccc2c(c1)OCO2" . "O=C(N1CCCCC1)/C=C/C=C/c1ccc2c(c1)OCO2" . "MXXWOMGUGJBKIW-YPCIICBESA-N" . "InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+" . "CCCCCCCCC=CCCCCCCCC(=O)NCc1ccc(c(c1)OC)O" . "CCCCCCCC/C=C/CCCCCCCC(=O)NCc1ccc(c(c1)OC)O" . "OPZKBPQVWDSATI-KHPPLWFESA-N" . "InChI=1S/C26H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27-22-23-19-20-24(28)25(21-23)30-2/h10-11,19-21,28H,3-9,12-18,22H2,1-2H3,(H,27,29)/b11-10-" . "CCCCCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O" . "CCCCC/C=C/C[C@H](/C=C/C=C/C=C/[C@H](CCCC(=O)O)O)O" . "VNYSSYRCGWBHLG-AMOLWHMGSA-N" . "InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1" . "COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O" . "COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O" . "YKPUWZUDDOIDPM-SOFGYWHQSA-N" . "InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+" . "CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCc1ccc(c(c1)OC)O" . "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NCc1ccc(c(c1)OC)O" . "QVLMCRFQGHWOPM-ZKWNWVNESA-N" . "InChI=1S/C28H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(31)29-24-25-21-22-26(30)27(23-25)32-2/h7-8,10-11,13-14,16-17,21-23,30H,3-6,9,12,15,18-20,24H2,1-2H3,(H,29,31)/b8-7-,11-10-,14-13-,17-16-" . "NCCCNCCCCNCCCNCCCN(CCCNC(=O)Cc1c[nH]c2c1cccc2)O" . "NCCCNCCCCNCCCNCCCN(CCCNC(=O)Cc1c[nH]c2c1cccc2)O" . "LIURIBSBVUMOJS-UHFFFAOYSA-N" . "InChI=1S/C26H47N7O2/c27-11-5-14-28-12-3-4-13-29-15-6-16-30-17-7-19-33(35)20-8-18-31-26(34)21-23-22-32-25-10-2-1-9-24(23)25/h1-2,9-10,22,28-30,32,35H,3-8,11-21,27H2,(H,31,34)" . "CCCCCC=CCC=CCC=CC=CC(CCCC(=O)O)OO" . "CCCCC/C=C/C/C=C/C/C=C/C=C/[C@H](CCCC(=O)O)OO" . "JNUUNUQHXIOFDA-JGKLHWIESA-N" . "InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h6-7,9-10,12-14,16,19,23H,2-5,8,11,15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1" . "CON=CC1=CCCN(C1)C" . "CO/N=C/C1=CCCN(C1)C" . "YMMXHEYLRHNXAB-RMKNXTFCSA-N" . "InChI=1S/C8H14N2O/c1-10-5-3-4-8(7-10)6-9-11-2/h4,6H,3,5,7H2,1-2H3/b9-6+" . "CCCCCC(C=CC=CCC=CCC=CCCCC(=O)O)OO" . "CCCCC[C@@H](/C=C/C=C/C/C=C/C/C=C/CCCC(=O)O)OO" . "BFWYTORDSFIVKP-VAEKSGALSA-N" . "InChI=1S/C20H32O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h4-5,8-11,14,17,19,23H,2-3,6-7,12-13,15-16,18H2,1H3,(H,21,22)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1" . "CCCCCC=CCC(C=CC=CCC=CCCCC(=O)O)OO" . "CCCCC/C=C/C[C@@H](/C=C/C=C/C/C=C/CCCC(=O)O)OO" . "ZIOZYRSDNLNNNJ-LQWMCKPYSA-N" . "InChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1" . "OC(=O)CC(C(=O)O)O" . "OC(=O)CC(C(=O)O)O" . "BJEPYKJPYRNKOW-UHFFFAOYSA-N" . "InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)" . "OC(=O)C(CC(=O)O)(CC(=O)O)O" . "OC(=O)C(CC(=O)O)(CC(=O)O)O" . "KRKNYBCHXYNGOX-UHFFFAOYSA-N" . "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" . "CCNC(=O)C1CC(C)CCC1C(C)C" . "CCNC(=O)C1CC(C)CCC1C(C)C" . "VUNOFAIHSALQQH-UHFFFAOYSA-N" . "InChI=1S/C13H25NO/c1-5-14-13(15)12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,14,15)" . "CNC(=O)C(C(C)C)(C(C)C)C" . "CNC(=O)C(C(C)C)(C(C)C)C" . "RWAXQWRDVUOOGG-UHFFFAOYSA-N" . "InChI=1S/C10H21NO/c1-7(2)10(5,8(3)4)9(12)11-6/h7-8H,1-6H3,(H,11,12)" . "S=C(N1CCN(CC1)c1ncccc1Cl)Nc1ccc(cc1)C(C)(C)C" . "S=C(N1CCN(CC1)c1ncccc1Cl)Nc1ccc(cc1)C(C)(C)C" . "ODPJGEXSZMHIBU-UHFFFAOYSA-N" . "InChI=1S/C20H25ClN4S/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)" . "CC1CCC(C(C1)O)C(O)(C)C" . "C[C@@H]1CC[C@H]([C@@H](C1)O)C(O)(C)C" . "LMXFTMYMHGYJEI-IWSPIJDZSA-N" . "InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9-/m1/s1" . "CC1CCC(C(C1)O)C(C)C" . "C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C" . "NOOLISFMXDJSKH-AEJSXWLSSA-N" . "InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m0/s1" . "C=CC(CCC=C(C)C)(O)C" . "C=CC(CCC=C(C)C)(O)C" . "CDOSHBSSFJOMGT-UHFFFAOYSA-N" . "InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3" . "O=CCC(CCCC(O)(C)C)C" . "O=CCC(CCCC(O)(C)C)C" . "WPFVBOQKRVRMJB-UHFFFAOYSA-N" . "InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3" . "OCC=C(CCC=C(C)C)C" . "OC/C=C(/CCC=C(C)C)/C" . "GLZPCOQZEFWAFX-JXMROGBWSA-N" . "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+" . "CC1CCC(C(C1)OC(=O)C(O)C)C(C)C" . "C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(O)C)C(C)C" . "UJNOLBSYLSYIBM-SGUBAKSOSA-N" . "InChI=1S/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3/t9-,10?,11+,12-/m1/s1" . "OCC1COC2(O1)CC(C)CCC2C(C)C" . "OCC1COC2(O1)CC(C)CCC2C(C)C" . "ZBJCYZPANVLBRK-UHFFFAOYSA-N" . "InChI=1S/C13H24O3/c1-9(2)12-5-4-10(3)6-13(12)15-8-11(7-14)16-13/h9-12,14H,4-8H2,1-3H3" . "CC12CCC(CC1)C(O2)(C)C" . "CC12CCC(CC1)C(O2)(C)C" . "WEEGYLXZBRQIMU-UHFFFAOYSA-N" . "InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3" . "OCC(COC1CC(C)CCC1C(C)C)O" . "OCC(COC1CC(C)CCC1C(C)C)O" . "MDVYIGJINBYKOM-UHFFFAOYSA-N" . "InChI=1S/C13H26O3/c1-9(2)12-5-4-10(3)6-13(12)16-8-11(15)7-14/h9-15H,4-8H2,1-3H3" . "CC1CCC(C(C1)O)C(=C)C" . "C[C@@H]1CC[C@H]([C@@H](C1)O)C(=C)C" . "ZYTMANIQRDEHIO-KXUCPTDWSA-N" . "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1" . "Clc1ccc(cc1)CCNC(=S)N1CCCc2c(C1)cc(O)c(c2)O" . "Clc1ccc(cc1)CCNC(=S)N1CCCc2c(C1)cc(O)c(c2)O" . "DRCMAZOSEIMCHM-UHFFFAOYSA-N" . "InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25)" . "O=C(N1CCN(CC1)c1ncccc1Cl)Nc1ccc(cc1)C(C)(C)C" . "O=C(N1CCN(CC1)c1ncccc1Cl)Nc1ccc(cc1)C(C)(C)C" . "ROGUAPYLUCHQGK-UHFFFAOYSA-N" . "InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)" . "[O-][V](=O)(O[V]1(=O)O[V]2(=O)O[V](=O)(O[V]3(=O)O[V](=O)(O1)O[V](=O)(O3)O[V](=O)([O-])[O-])O[V](=O)(O2)O[V](=O)([O-])[O-])[O-]" . "[O-][V](=O)(O[V]1(=O)O[V]2(=O)O[V](=O)(O[V]3(=O)O[V](=O)(O1)O[V](=O)(O3)O[V](=O)([O-])[O-])O[V](=O)(O2)O[V](=O)([O-])[O-])[O-]" . "OSBWBKHFRWKREF-UHFFFAOYSA-N" . "InChI=1S/28O.10V/q;;;;;;;;;;;;;;;;;;;;;;6*-1;;;;;;;;;;" . "OC1C(COP(=O)(OP(=O)(NP(=O)(O)O)O)O)OC(C1O)n1cnc2c1ncnc2N" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(NP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N" . "PVKSNHVPLWYQGJ-KQYNXXCUSA-N" . "InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1" . "OC1C(O)C(OC1n1cnc2c1ncnc2N)COP(=O)(O)O" . "O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)(O)O" . "UDMBCSSLTHHNCD-KQYNXXCUSA-N" . 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"InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1" . "OC1C(O)C(OC1[n+]1cccc(c1)C(=O)O)COP(=O)(OP(=O)(OCC1OC(C(C1O)OP(=O)(O)O)n1cnc2c1ncnc2N)O)O" . "O[C@@H]1[C@H](O)[C@H](O[C@H]1[n+]1cccc(c1)C(=O)O)COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)OP(=O)(O)O)n1cnc2c1ncnc2N)O)O" . "QOTXBMGJKFVZRD-HISDBWNOSA-O" . "InChI=1S/C21H27N6O18P3/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(44-46(33,34)35)14(29)11(43-20)6-41-48(38,39)45-47(36,37)40-5-10-13(28)15(30)19(42-10)26-3-1-2-9(4-26)21(31)32/h1-4,7-8,10-11,13-16,19-20,28-30H,5-6H2,(H6-,22,23,24,31,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1" . "Clc1ccc(c(c1)Cl)COC(c1ccc(cc1Cl)Cl)Cn1cncc1" . "Clc1ccc(c(c1)Cl)COC(c1ccc(cc1Cl)Cl)Cn1cncc1" . "BYBLEWFAAKGYCD-UHFFFAOYSA-N" . "InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2" . "OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F" . "OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F" . "LPEPZBJOKDYZAD-UHFFFAOYSA-N" . "InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)" . "Clc1ccc(cc1)COC(c1ccc(cc1Cl)Cl)Cn1cncc1" . "Clc1ccc(cc1)COC(c1ccc(cc1Cl)Cl)Cn1cncc1" . "LEZWWPYKPKIXLL-UHFFFAOYSA-N" . "InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2" . "OC1C(O)C2OC1n1cnc3c(c1=N)ncn3C1OC(COP(=O)(OP(=O)(OC2)O)O)C(C1O)O" . "O[C@@H]1[C@H](O)[C@@H]2O[C@H]1n1cnc3c(c1=N)ncn3[C@@H]1O[C@H](COP(=O)(OP(=O)(OC2)O)O)[C@H]([C@H]1O)O" . "BQOHYSXSASDCEA-KEOHHSTQSA-N" . "InChI=1S/C15H21N5O13P2/c16-12-7-13-18-4-19(12)14-10(23)8(21)5(31-14)1-29-34(25,26)33-35(27,28)30-2-6-9(22)11(24)15(32-6)20(13)3-17-7/h3-6,8-11,14-16,21-24H,1-2H2,(H,25,26)(H,27,28)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1" . "O=CC(C(C(COP(=O)(OP(=O)(OCC1OC(C(C1O)O)n1cnc2c1ncnc2N)O)O)O)O)O" . "O=C[C@@H]([C@@H]([C@@H](COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O)O)O)O" . "PWJFNRJRHXWEPT-AOOZFPJJSA-N" . "InChI=1S/C15H23N5O14P2/c16-13-9-14(18-4-17-13)20(5-19-9)15-12(26)11(25)8(33-15)3-32-36(29,30)34-35(27,28)31-2-7(23)10(24)6(22)1-21/h1,4-8,10-12,15,22-26H,2-3H2,(H,27,28)(H,29,30)(H2,16,17,18)/t6-,7+,8+,10-,11+,12+,15+/m0/s1" . "CCCCCc1ccc(cc1)C=CC(=O)Nc1ccccc1C(=O)O" . "CCCCCc1ccc(cc1)/C=C/C(=O)Nc1ccccc1C(=O)O" . "GAMRBCZMOOMBSQ-CCEZHUSRSA-N" . "InChI=1S/C21H23NO3/c1-2-3-4-7-16-10-12-17(13-11-16)14-15-20(23)22-19-9-6-5-8-18(19)21(24)25/h5-6,8-15H,2-4,7H2,1H3,(H,22,23)(H,24,25)/b15-14+" . "CCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)CO" . "CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=C/C/C=C/CCCCC)CO" . "AJMZUFBKADIAKC-SKTOPKGQSA-N" . "InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,37,40H,3-11,13,15-17,19,21-36H2,1-2H3/b14-12-,20-18-/t37-/m0/s1" . "COc1ccc(cc1)CCCOC(c1ccc(cc1)OC)Cn1ccnc1" . "COc1ccc(cc1)CCCOC(c1ccc(cc1)OC)Cn1ccnc1" . "HLMBXBGDBBCYII-UHFFFAOYSA-N" . "InChI=1S/C22H26N2O3/c1-25-20-9-5-18(6-10-20)4-3-15-27-22(16-24-14-13-23-17-24)19-7-11-21(26-2)12-8-19/h5-14,17,22H,3-4,15-16H2,1-2H3" . "OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F" . "OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F" . "JZFPYUNJRRFVQU-UHFFFAOYSA-N" . "InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)" . "O=C(c1snnc1C)Nc1ccc(cc1)n1nc(cc1C(F)(F)F)C(F)(F)F" . "O=C(c1snnc1C)Nc1ccc(cc1)n1nc(cc1C(F)(F)F)C(F)(F)F" . "XPRZIORDEVHURQ-UHFFFAOYSA-N" . "InChI=1S/C15H9F6N5OS/c1-7-12(28-25-23-7)13(27)22-8-2-4-9(5-3-8)26-11(15(19,20)21)6-10(24-26)14(16,17)18/h2-6H,1H3,(H,22,27)" . "CCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCC=CCC=CCC=CCC=CCCCCC)CO" . "CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)CO" . "NSXLMTYRMFVYNT-IUJDHQGTSA-N" . "InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,39,42H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3/b13-11-,19-17-,24-22-,30-28-/t39-/m0/s1" . "CCCCCCCCC=CCCCCCCCC(=O)OCC(OC(=O)C)CO" . "CCCCCCCC/C=C/CCCCCCCC(=O)OCC(OC(=O)C)CO" . "PWTCCMJTPHCGMS-ZHACJKMWSA-N" . "InChI=1S/C23H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)27-20-22(19-24)28-21(2)25/h10-11,22,24H,3-9,12-20H2,1-2H3/b11-10+" . "CCCCCCCC(=O)OCC(OC(=O)CCCCCCC)CO" . "CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC)CO" . "ZQBULZYTDGUSSK-KRWDZBQOSA-N" . "InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-16-17(15-20)24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3/t17-/m0/s1" . "NCCOB(c1ccccc1)c1ccccc1" . "NCCOB(c1ccccc1)c1ccccc1" . "BLZVCIGGICSWIG-UHFFFAOYSA-N" . "InChI=1S/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2" . "COC(=O)c1ccccc1O" . "COC(=O)c1ccccc1O" . "OSWPMRLSEDHDFF-UHFFFAOYSA-N" . "InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3" . "CC1CCC(C(C1)O)C(C)C" . "C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C" . "NOOLISFMXDJSKH-KXUCPTDWSA-N" . "InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1" . "O=C1NC(=CCN1c1ccccc1O)c1cccc(c1)[N+](=O)[O-]" . "O=C1NC(=CCN1c1ccccc1O)c1cccc(c1)[N+](=O)[O-]" . "RCEFMOGVOYEGJN-UHFFFAOYSA-N" . "InChI=1S/C16H13N3O4/c20-15-7-2-1-6-14(15)18-9-8-13(17-16(18)21)11-4-3-5-12(10-11)19(22)23/h1-8,10,20H,9H2,(H,17,21)" . "CCCCCC(CC(=O)CCc1ccc(c(c1)OC)O)O" . "CCCCC[C@@H](CC(=O)CCc1ccc(c(c1)OC)O)O" . "NLDDIKRKFXEWBK-AWEZNQCLSA-N" . "InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1" . "C=CCc1ccc(c(c1)OC)O" . "C=CCc1ccc(c(c1)OC)O" . "RRAFCDWBNXTKKO-UHFFFAOYSA-N" . "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3" . "CCCCCc1cc(O)c2c(c1)OC(C1C2C=C(C)CC1)(C)C" . "CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C" . "CYQFCXCEBYINGO-IAGOWNOFSA-N" . "InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1" . "O=CC=Cc1ccccc1" . "O=C/C=C/c1ccccc1" . "KJPRLNWUNMBNBZ-QPJJXVBHSA-N" . "InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+" . "O=C1CC2C(C1(C)CC2)(C)C" . "O=C1CC2C(C1(C)CC2)(C)C" . "DSSYKIVIOFKYAU-UHFFFAOYSA-N" . "InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3" . "NC(=NC(=O)c1nc(Cl)c(nc1N)N)N" . "NC(=NC(=O)c1nc(Cl)c(nc1N)N)N" . "XSDQTOBWRPYKKA-UHFFFAOYSA-N" . "InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)" . "C=CCN=C=S" . "C=CCN=C=S" . "ZOJBYZNEUISWFT-UHFFFAOYSA-N" . "InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2" . "C=CCSS(=O)CC=C" . "C=CCSS(=O)CC=C" . "JDLKFOPOAOFWQN-UHFFFAOYSA-N" . "InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2" . "C=CC=O" . "C=CC=O" . "HGINCPLSRVDWNT-UHFFFAOYSA-N" . "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2" . "CCC=CC=O" . "CC/C=C/C=O" . "DTCCTIQRPGSLPT-ONEGZZNKSA-N" . "InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3+" . "Nc1ccncc1" . "Nc1ccncc1" . "NUKYPUAOHBNCPY-UHFFFAOYSA-N" . "InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)" . "COc1ccc(cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1)Cl" . "COc1ccc(cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1)Cl" . "ZNNLBTZKUZBEKO-UHFFFAOYSA-N" . "InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)" . "N#Cc1ccc2c(c1)C(N1CCCC1=O)C(C(O2)(C)C)O" . "N#Cc1ccc2c(c1)C(N1CCCC1=O)C(C(O2)(C)C)O" . "TVZCRIROJQEVOT-UHFFFAOYSA-N" . "InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3" . "CC(C(C)(C)C)N=C(Nc1ccncc1)NC#N" . "CC(C(C)(C)C)N=C(Nc1ccncc1)NC#N" . "IVVNZDGDKPTYHK-UHFFFAOYSA-N" . "InChI=1S/C13H19N5/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11/h5-8,10H,1-4H3,(H2,15,16,17,18)" . "[O-][N+](=O)OCCNC(=O)c1cccnc1" . "[O-][N+](=O)OCCNC(=O)c1cccnc1" . "LBHIOVVIQHSOQN-UHFFFAOYSA-N" . "InChI=1S/C8H9N3O4/c12-8(7-2-1-3-9-6-7)10-4-5-15-11(13)14/h1-3,6H,4-5H2,(H,10,12)" . "OC1C(COP(=O)(OP(=O)(O)O)O)OC(C1O)n1cnc2c1[nH]c(N)nc2=O" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(N)nc2=O" . "QGWNDRXFNXRZMB-UUOKFMHZSA-N" . "InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1" . "Clc1ccc2c(c1)S(=O)(=O)N=C(N2)C" . "Clc1ccc2c(c1)S(=O)(=O)N=C(N2)C" . "GDLBFKVLRPITMI-UHFFFAOYSA-N" . "InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)" . "COc1ccc(cc1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OC(C(C2NC1CC1)O)(C)C" . "COc1ccc(cc1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OC([C@@H]([C@H]2NC1CC1)O)(C)C" . "HWADWMAQVCHLHJ-FCHUYYIVSA-N" . "InChI=1S/C23H27N3O6/c1-23(2)22(28)21(24-14-6-7-14)16-11-17(18(26(29)30)12-19(16)32-23)25-20(27)10-13-4-8-15(31-3)9-5-13/h4-5,8-9,11-12,14,21-22,24,28H,6-7,10H2,1-3H3,(H,25,27)/t21-,22+/m0/s1" . "CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N" . "CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N" . "KKGQTZUTZRNORY-UHFFFAOYSA-N" . "InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3" . "COc1ccc(cc1OC)CCN(CCCC(c1ccc(c(c1)OC)OC)(C(C)C)C#N)C" . "COc1ccc(cc1OC)CCN(CCCC(c1ccc(c(c1)OC)OC)(C(C)C)C#N)C" . "SGTNSNPWRIOYBX-UHFFFAOYSA-N" . "InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3" . "CC[N+](CC(=O)Nc1c(C)cccc1C)(CC)CC" . "CC[N+](CC(=O)Nc1c(C)cccc1C)(CC)CC" . "PYEBKOFMWAMBFV-UHFFFAOYSA-O" . "InChI=1S/C16H26N2O/c1-6-18(7-2,8-3)12-15(19)17-16-13(4)10-9-11-14(16)5/h9-11H,6-8,12H2,1-5H3/p+1" . "CNCCC=C1c2ccccc2CCc2c1cccc2" . "CNCCC=C1c2ccccc2CCc2c1cccc2" . "PHVGLTMQBUFIQQ-UHFFFAOYSA-N" . "InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3" . "CC12NC(c3c2cccc3)Cc2c1cccc2" . "C[C@]12N[C@@H](c3c2cccc3)Cc2c1cccc2" . "LBOJYSIDWZQNJS-CVEARBPZSA-N" . "InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1" . "CNCCCC12CCC(c3c1cccc3)c1c2cccc1" . "CNCCCC12CCC(c3c1cccc3)c1c2cccc1" . "QSLMDECMDJKHMQ-UHFFFAOYSA-N" . "InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3" . "ClC(C(F)(F)F)Br" . "ClC(C(F)(F)F)Br" . "BCQZXOMGPXTTIC-UHFFFAOYSA-N" . "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H" . "FC1(Cl)CCC1(F)F" . "FC1(Cl)CCC1(F)F" . "ZZQYDYODFHABLC-UHFFFAOYSA-N" . "InChI=1S/C4H4ClF3/c5-3(6)1-2-4(3,7)8/h1-2H2" . "CNCCCN1c2ccccc2CCc2c1cccc2" . "CNCCCN1c2ccccc2CCc2c1cccc2" . "HCYAFALTSJYZDH-UHFFFAOYSA-N" . "InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3" . "CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C" . "CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C" . "GDLIGKIOYRNHDA-UHFFFAOYSA-N" . "InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3" . "CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C" . "CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C" . "LEBVLXFERQHONN-UHFFFAOYSA-N" . "InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)" . "Clc1c(Cl)c(Cl)c(c(c1Cl)C(=O)O)c1c2cc(I)c(=O)c(c2oc2c1cc(I)c(c2I)O)I" . "Clc1c(Cl)c(Cl)c(c(c1Cl)C(=O)O)c1c2cc(I)c(=O)c(c2oc2c1cc(I)c(c2I)O)I" . "VDNLFJGJEQUWRB-UHFFFAOYSA-N" . "InChI=1S/C20H4Cl4I4O5/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28/h1-2,29H,(H,31,32)" . "CCCCCC=CCC=CCC=CCC=CCCCC(=O)O" . "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O" . "YZXBAPSDXZZRGB-DOFZRALJSA-N" . "InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-" . "NCCCNCCCCN" . "NCCCNCCCCN" . "ATHGHQPFGPMSJY-UHFFFAOYSA-N" . "InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2" . "NCCCCN" . "NCCCCN" . "KIDHWZJUCRJVML-UHFFFAOYSA-N" . "InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2" . "CCCCCCCCC=CCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(OC1C(O)C(O)C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O" . "CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=C/CCCCCCCC)COP(=O)(O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O" . "IGQSAMXNWMLOOS-GGDMTQDZSA-N" . "InChI=1S/C45H85O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h17-20,37,40-45,48-50H,3-16,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b19-17-,20-18-/t37-,40-,41+,42+,43-,44-,45-/m1/s1" . "CCCCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(COP(=O)(OP(=O)(OCC1OC(C(C1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O" . "CCCCCCCC/C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O" . "XDUHQPOXLUAVEE-BPMMELMSSA-N" . "InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b12-11-/t28-,32-,33-,34+,38-/m1/s1" . "O=C1CC2OCC=C3C4C2C2N1c1ccccc1C12CCN(C1C4)C3" . "O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3" . "QMGVPVSNSZLJIA-FVWCLLPLSA-N" . "InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1" . "Cc1ccc(o1)C[N+](C)(C)C" . "Cc1ccc(o1)C[N+](C)(C)C" . "KOWVJDFMEZKDDT-UHFFFAOYSA-N" . "InChI=1S/C9H16NO/c1-8-5-6-9(11-8)7-10(2,3)4/h5-6H,7H2,1-4H3/q+1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CCCCN)CCCCN)CS)CCCCN)CCCCN)Cc1c[nH]c2c1cccc2)CS)CCC(=O)N)NC(=O)C1CCCN1C(=O)C(C(CC)C)NC(=O)C(C(CC)C)NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)CC(C)C)CS)CC(=O)N)CS)CC(=O)N)CCCN=C(N)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC)[C@@H](C)CC" . "ZBLPZPDBJUWUTH-HUVNXVGSSA-N" . "InChI=1S/C112H187N33O26S4/c1-9-60(6)89(142-99(158)73(33-24-46-124-112(122)123)130-102(161)78(51-86(120)148)136-106(165)83(58-175)141-103(162)79(52-87(121)149)137-105(164)82(57-174)140-100(159)76(48-59(4)5)134-92(151)67(118)49-63-35-37-65(146)38-36-63)108(167)143-90(61(7)10-2)109(168)144-91(62(8)11-3)110(169)145-47-25-34-84(145)107(166)132-72(31-17-22-44-116)96(155)131-74(39-40-85(119)147)98(157)139-81(56-173)104(163)135-77(50-64-53-125-68-27-13-12-26-66(64)68)101(160)129-70(29-15-20-42-114)95(154)128-71(30-16-21-43-115)97(156)138-80(55-172)93(152)126-54-88(150)127-69(28-14-19-41-113)94(153)133-75(111(170)171)32-18-23-45-117/h12-13,26-27,35-38,53,59-62,67,69-84,89-91,125,146,172-175H,9-11,14-25,28-34,39-52,54-58,113-118H2,1-8H3,(H2,119,147)(H2,120,148)(H2,121,149)(H,126,152)(H,127,150)(H,128,154)(H,129,160)(H,130,161)(H,131,155)(H,132,166)(H,133,153)(H,134,151)(H,135,163)(H,136,165)(H,137,164)(H,138,156)(H,139,157)(H,140,159)(H,141,162)(H,142,158)(H,143,167)(H,144,168)(H,170,171)(H4,122,123,124)/t60-,61-,62-,67-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,89-,90-,91-/m0/s1" . "NCCS(=O)(=O)O" . "NCCS(=O)(=O)O" . "XOAAWQZATWQOTB-UHFFFAOYSA-N" . "InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)" . "OC1CCC2(C(C1)CCC1C2C(=O)CC2(C1CC(=N2)N)C)C" . "O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C(=O)C[C@]2([C@H]1CC(=N2)N)C)C" . "LLAKESJIQFAQJA-PLCDLCHKSA-N" . "InChI=1S/C18H28N2O2/c1-17-6-5-11(21)7-10(17)3-4-12-13-8-15(19)20-18(13,2)9-14(22)16(12)17/h10-13,16,21H,3-9H2,1-2H3,(H2,19,20)/t10-,11+,12+,13+,16-,17+,18+/m1/s1" . "O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2C(=O)C)C)C" . "O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C" . "RJKFOVLPORLFTN-LEKSSAKUSA-N" . "InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1" . "OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(=O)C)C)C1)C" . "O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2C(=O)C)C)C1)C" . "ORNBQBCIOKFOEO-QGVNFLHTSA-N" . "InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1" . "CC(C1(O)CCS(=O)CC1)(C)C" . "CC(C1(O)CCS(=O)CC1)(C)C" . "BKPWCHDEUGQJRG-UHFFFAOYSA-N" . "InChI=1S/C9H18O2S/c1-8(2,3)9(10)4-6-12(11)7-5-9/h10H,4-7H2,1-3H3" . "CCCCOC(=O)c1ncc2c(c1)c1ccccc1[nH]2" . "CCCCOC(=O)c1ncc2c(c1)c1ccccc1[nH]2" . "WGNGIELOOKACSB-UHFFFAOYSA-N" . "InChI=1S/C16H16N2O2/c1-2-3-8-20-16(19)14-9-12-11-6-4-5-7-13(11)18-15(12)10-17-14/h4-7,9-10,18H,2-3,8H2,1H3" . "COC1CC(OC2C(C)C=CC=C3COC4C3(O)C(C=C(C4O)C)C(=O)OC3CC(CC=C2C)OC2(C3)CCC(C(O2)C(CC)C)C)OC(C1OC1CC(OC)C(C(O1)C)O)C" . "CO[C@H]1C[C@H](OC2C(C)/C=C/C=C/3/COC4C3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3CC(C/C=C/2/C)O[C@]2(C3)CCC(C(O2)C(CC)C)C)O[C@H](C1O[C@H]1C[C@H](OC)C([C@@H](O1)C)O)C" . "AZSNMRSAGSSBNP-ZLRQRZFZSA-N" . "InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25?,26?,28?,30-,31-,33?,34-,35-,36-,37-,38-,39-,40+,41?,42?,43?,44?,45?,47+,48?/m0/s1" . "OC1CCC2(C(=CCC3C2CCC2(C3CCC2=O)C)C1)C" . "O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC2=O)C)C1)C" . "FMGSKLZLMKYGDP-USOAJAOKSA-N" . "InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1" . "COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1C(CC2)NC(=O)C)OC" . "COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)OC" . "IAKHMKGGTNLKSZ-INIZCTEOSA-N" . "InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1" . "O=C1OC2C3(C1)C(=O)OC1C3(C(C2)(O)C(C)(C)C)C(O)C(=O)O1" . "O=C1O[C@@H]2[C@@]3(C1)C(=O)O[C@H]1[C@]3([C@](C2)(O)C(C)(C)C)[C@@H](O)C(=O)O1" . "MOLPUWBMSBJXER-YDGSQGCISA-N" . "InChI=1S/C15H18O8/c1-12(2,3)14(20)4-6-13(5-7(16)21-6)10(19)23-11-15(13,14)8(17)9(18)22-11/h6,8,11,17,20H,4-5H2,1-3H3/t6-,8-,11-,13-,14+,15+/m0/s1" . "NCCC(=O)O" . "NCCC(=O)O" . "UCMIRNVEIXFBKS-UHFFFAOYSA-N" . "InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)" . "CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO" . "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NCCO" . "LGEQQWMQCRIYKG-DOFZRALJSA-N" . "InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-" . "CC1(CC)CCSC1=O" . "CC1(CC)CCSC1=O" . "PSYRIJIIQVMBLR-UHFFFAOYSA-N" . "InChI=1S/C7H12OS/c1-3-7(2)4-5-9-6(7)8/h3-5H2,1-2H3" . "CCCCCCC(c1ccc(cc1)S(=O)(=O)O)CCCCC" . "CCCCCCC(c1ccc(cc1)S(=O)(=O)O)CCCCC" . "GHNRTXCRBJQVGN-UHFFFAOYSA-N" . "InChI=1S/C18H30O3S/c1-3-5-7-9-11-16(10-8-6-4-2)17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)" . "Clc1cc(Cl)c2c(c1)[nH]c(cc2=O)C(=O)O" . "Clc1cc(Cl)c2c(c1)[nH]c(cc2=O)C(=O)O" . "BGKFPRIGXAVYNX-UHFFFAOYSA-N" . "InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)" . "C[N+](Cc1ccco1)(C)C" . "C[N+](Cc1ccco1)(C)C" . "HEDXEAAVEOJUCR-UHFFFAOYSA-N" . "InChI=1S/C8H14NO/c1-9(2,3)7-8-5-4-6-10-8/h4-6H,7H2,1-3H3/q+1" . "CCN(c1cc(=NC)n(c(n1)C)C)c1ccccc1" . "CCN(c1cc(=NC)n(c(n1)C)C)c1ccccc1" . "JABSKGQQWUDVRU-UHFFFAOYSA-N" . "InChI=1S/C15H20N4/c1-5-19(13-9-7-6-8-10-13)15-11-14(16-3)18(4)12(2)17-15/h6-11H,5H2,1-4H3" . "COc1ccc(cc1OC)CCN(CCCN1CCc2c(CC1=O)cc(c(c2)OC)OC)C" . "COc1ccc(cc1OC)CCN(CCCN1CCc2c(CC1=O)cc(c(c2)OC)OC)C" . "KEDQCFRVSHYKLR-UHFFFAOYSA-N" . "InChI=1S/C26H36N2O5/c1-27(13-9-19-7-8-22(30-2)23(15-19)31-3)11-6-12-28-14-10-20-16-24(32-4)25(33-5)17-21(20)18-26(28)29/h7-8,15-17H,6,9-14,18H2,1-5H3" . "COc1cc2CC(c2cc1OC)CN(CCCN1CCc2c(CC1=O)cc(c(c2)OC)OC)C" . "COc1cc2C[C@@H](c2cc1OC)CN(CCCN1CCc2c(CC1=O)cc(c(c2)OC)OC)C" . "ACRHBAYQBXXRTO-OAQYLSRUSA-N" . "InChI=1S/C27H36N2O5/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30/h12-14,16,21H,6-11,15,17H2,1-5H3/t21-/m1/s1" . "COc1ccc(cc1OC)CCN1CCCC(C1)CN1CCc2c(CC1=O)cc(c(c2)OC)OC" . "COc1ccc(cc1OC)CCN1CCC[C@@H](C1)CN1CCc2c(CC1=O)cc(c(c2)OC)OC" . "OBUFMJDDZTXJPY-NRFANRHFSA-N" . "InChI=1S/C28H38N2O5/c1-32-24-8-7-20(14-25(24)33-2)9-12-29-11-5-6-21(18-29)19-30-13-10-22-15-26(34-3)27(35-4)16-23(22)17-28(30)31/h7-8,14-16,21H,5-6,9-13,17-19H2,1-4H3/t21-/m0/s1" . "CC(=O)OC(OC(=O)C)COP(=O)(OC1C(O)C(OP(=O)(O)O)C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O" . "CC(=O)OC(OC(=O)C)COP(=O)(O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O" . "RQQIRMLGKSPXSE-UQPICLANSA-N" . "InChI=1S/C12H24O22P4/c1-4(13)29-6(30-5(2)14)3-28-38(26,27)34-9-7(15)10(31-35(17,18)19)12(33-37(23,24)25)11(8(9)16)32-36(20,21)22/h6-12,15-16H,3H2,1-2H3,(H,26,27)(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)/t7-,8-,9-,10+,11-,12-/m0/s1" . "OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2N" . "O[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2N" . "IVOMOUWHDPKRLL-KQYNXXCUSA-N" . "InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1" . "O=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C" . "O=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)/C)/C" . "NCYCYZXNIZJOKI-OVSJKPMPSA-N" . "InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+" . "COc1ccc(cc1)C1Sc2ccccc2N(C(=O)C1OC(=O)C)CCN(C)C" . "COc1ccc(cc1)[C@H]1Sc2ccccc2N(C(=O)[C@H]1OC(=O)C)CCN(C)C" . "HSUGRBWQSSZJOP-LEWJYISDSA-N" . "InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m0/s1" . "CNCCNS(=O)(=O)c1cccc2c1ccnc2" . "CNCCNS(=O)(=O)c1cccc2c1ccnc2" . "PJWUXKNZVMEPPH-UHFFFAOYSA-N" . "InChI=1S/C12H15N3O2S/c1-13-7-8-15-18(16,17)12-4-2-3-10-9-14-6-5-11(10)12/h2-6,9,13,15H,7-8H2,1H3" . "OC1C2OP(=O)(O)OCC2OC1n1cnc2c1nc(N)[nH]c2=O" . "O[C@@H]1[C@@H]2OP(=O)(O)OC[C@H]2O[C@H]1n1cnc2c1nc(N)[nH]c2=O" . "ZOOGRGPOEVQQDX-UUOKFMHZSA-N" . "InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1" . "C=CC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)O" . "C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)O" . "LOUPRKONTZGTKE-LHHVKLHASA-N" . "InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1" . "CCCCCCCCCCCCCC(=O)OC1C(C)C2(O)C(C3C1(OC(=O)C)C3(C)C)C=C(CC1(C2C=C(C1=O)C)O)CO" . "CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@H]([C@H]3[C@]1(OC(=O)C)C3(C)C)C=C(C[C@]1([C@H]2C=C(C1=O)C)O)CO" . "PHEDXBVPIONUQT-RGYGYFBISA-N" . "InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30-,32-,34-,35-,36-/m1/s1" . "Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O" . "Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O" . "JFIOVJDNOJYLKP-UHFFFAOYSA-N" . "InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H" . "CC(COCC(N1CCCC1)CN(c1ccccc1)Cc1ccccc1)C" . "CC(COCC(N1CCCC1)CN(c1ccccc1)Cc1ccccc1)C" . "UIEATEWHFDRYRU-UHFFFAOYSA-N" . "InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3" . "Clc1ccccc1C(n1cccn1)(c1ccccc1)c1ccccc1" . "Clc1ccccc1C(n1cccn1)(c1ccccc1)c1ccccc1" . "KBFUQFVFYYBHBT-UHFFFAOYSA-N" . "InChI=1S/C22H17ClN2/c23-21-15-8-7-14-20(21)22(25-17-9-16-24-25,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-17H" . "Nc1nc2c(s1)ccc1c2cccc1" . "Nc1nc2c(s1)ccc1c2cccc1" . "FECQXVPRUCCUIL-UHFFFAOYSA-N" . "InChI=1S/C11H8N2S/c12-11-13-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-6H,(H2,12,13)" . "CCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC)C" . "CCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC)C" . "PVHUJELLJLJGLN-UHFFFAOYSA-N" . "InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3" . "COC(=O)C1=C(C)CC2=C(C1c1ccc(c(c1)C(F)(F)F)Cl)C(=O)OC2" . "COC(=O)C1=C(C)CC2=C(C1c1ccc(c(c1)C(F)(F)F)Cl)C(=O)OC2" . "WMQUFXJLJGXXJD-UHFFFAOYSA-N" . "InChI=1S/C18H14ClF3O4/c1-8-5-10-7-26-17(24)15(10)14(13(8)16(23)25-2)9-3-4-12(19)11(6-9)18(20,21)22/h3-4,6,14H,5,7H2,1-2H3" . "Fc1ccc(cc1)C(c1ccc(cc1)F)(c1ccccc1)C(=O)N" . "Fc1ccc(cc1)C(c1ccc(cc1)F)(c1ccccc1)C(=O)N" . "SCTZUZTYRMOMKT-UHFFFAOYSA-N" . "InChI=1S/C20H15F2NO/c21-17-10-6-15(7-11-17)20(19(23)24,14-4-2-1-3-5-14)16-8-12-18(22)13-9-16/h1-13H,(H2,23,24)" . "Clc1ccccc1C(n1cncc1)(c1ccccc1)c1ccccc1" . "Clc1ccccc1C(n1cncc1)(c1ccccc1)c1ccccc1" . "VNFPBHJOKIVQEB-UHFFFAOYSA-N" . "InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H" . "Clc1ccc2c(c1)nc(o2)N" . "Clc1ccc2c(c1)nc(o2)N" . "YGCODSQDUUUKIV-UHFFFAOYSA-N" . "InChI=1S/C7H5ClN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)" . "Nc1nc2c(s1)cc(cc2)OC(F)(F)F" . "Nc1nc2c(s1)cc(cc2)OC(F)(F)F" . "FTALBRSUTCGOEG-UHFFFAOYSA-N" . "InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)" . "CCn1c(=O)[nH]c2c1cc(Cl)c(c2)Cl" . "CCn1c(=O)[nH]c2c1cc(Cl)c(c2)Cl" . "LKHRMULASXZCLG-UHFFFAOYSA-N" . "InChI=1S/C9H8Cl2N2O/c1-2-13-8-4-6(11)5(10)3-7(8)12-9(13)14/h3-4H,2H2,1H3,(H,12,14)" . "Cc1cc(NC2CCCCC2)nc(n1)n1nc(cc1C)C" . "Cc1cc(NC2CCCCC2)nc(n1)n1nc(cc1C)C" . "USEMRPYUFJNFQN-UHFFFAOYSA-N" . "InChI=1S/C16H23N5/c1-11-10-15(18-14-7-5-4-6-8-14)19-16(17-11)21-13(3)9-12(2)20-21/h9-10,14H,4-8H2,1-3H3,(H,17,18,19)" . "Clc1ccc2c(c1)[nH]c(=O)o2" . "Clc1ccc2c(c1)[nH]c(=O)o2" . "TZFWDZFKRBELIQ-UHFFFAOYSA-N" . "InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)" . "C1CCNc2cc[n+](c3c2cccc3)CCCCC[n+]2ccc(NCC1)c1ccccc21" . "C1CCNc2cc[n+](c3c2cccc3)CCCCC[n+]2ccc(NCC1)c1ccccc21" . "IOXVWOJJNCBJBX-UHFFFAOYSA-P" . "InChI=1S/C28H32N4/c1-7-17-29-25-15-21-31(27-13-5-3-11-23(25)27)19-9-2-10-20-32-22-16-26(30-18-8-1)24-12-4-6-14-28(24)32/h3-6,11-16,21-22H,1-2,7-10,17-20H2/p+2" . "c1cc2cc(c1)C[n+]1ccc(c3c1cccc3)NCc1ccc(CNc3cc[n+](C2)c2ccccc32)cc1" . "c1cc2cc(c1)C[n+]1ccc(c3c1cccc3)NCc1ccc(CNc3cc[n+](C2)c2ccccc32)cc1" . "HZWVJPDDZQOYGA-UHFFFAOYSA-P" . "InChI=1S/C34H28N4/c1-3-10-33-29(8-1)31-16-18-37(33)23-27-6-5-7-28(20-27)24-38-19-17-32(30-9-2-4-11-34(30)38)36-22-26-14-12-25(13-15-26)21-35-31/h1-20H,21-24H2/p+2" . "c1ccc2c(c1)C(CCC2)Nc1nc2c([nH]1)cccc2" . "c1ccc2c(c1)[C@@H](CCC2)Nc1nc2c([nH]1)cccc2" . "XZIZUQSOFMLIIR-CQSZACIVSA-N" . "InChI=1S/C17H17N3/c1-2-8-13-12(6-1)7-5-11-14(13)18-17-19-15-9-3-4-10-16(15)20-17/h1-4,6,8-10,14H,5,7,11H2,(H2,18,19,20)/t14-/m1/s1" . "ONC1=c2ccc(c(c2=NC1=O)Cl)Cl" . "ONC1=c2ccc(c(c2=NC1=O)Cl)Cl" . "CVOUSAVHMDXCKG-UHFFFAOYSA-N" . "InChI=1S/C8H4Cl2N2O2/c9-4-2-1-3-6(5(4)10)11-8(13)7(3)12-14/h1-2,14H,(H,11,12,13)" . "CCn1c(=O)[nH]c2c1cccc2" . "CCn1c(=O)[nH]c2c1cccc2" . "CXUCKELNYMZTRT-UHFFFAOYSA-N" . "InChI=1S/C9H10N2O/c1-2-11-8-6-4-3-5-7(8)10-9(11)12/h3-6H,2H2,1H3,(H,10,12)" . "Nc1cc(C)[n+](c2c1cccc2)CCCCCCCCCC[n+]1c(C)cc(c2c1cccc2)N" . "Nc1cc(C)[n+](c2c1cccc2)CCCCCCCCCC[n+]1c(C)cc(c2c1cccc2)N" . "PCSWXVJAIHCTMO-UHFFFAOYSA-P" . "InChI=1S/C30H38N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3/p+2" . "CN1CCc2c(C1C1OC(=O)c3c1ccc1c3OCO1)cc1c(c2)OCO1" . "CN1CCc2c([C@H]1[C@@H]1OC(=O)c3c1ccc1c3OCO1)cc1c(c2)OCO1" . "IYGYMKDQCDOMRE-ZWKOTPCHSA-N" . "InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1" . "NCCCCC1NC(=O)C2CSSCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(CSSCC(C(=O)NC(C(=O)N2)CC(=O)N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC1=O)C)CCC2)CCC(=O)O)C(O)C)C)CC(C)C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1cnc[nH]1)CCC(=O)N)CCC(=O)N" . "NCCCC[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC1=O)C)CCC2)CCC(=O)O)[C@H](O)C)C)CC(C)C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1cnc[nH]1)CCC(=O)N)CCC(=O)N" . "YVIIHEKJCKCXOB-STYWVVQQSA-N" . "InChI=1S/C79H131N31O24S4/c1-35(2)26-49-70(127)107-51-31-136-135-30-41(81)63(120)105-50(28-57(84)114)71(128)108-53(73(130)99-42(12-7-8-22-80)64(121)96-38(5)77(134)110-25-11-15-54(110)75(132)102-47(18-21-58(115)116)69(126)109-59(39(6)111)76(133)95-37(4)62(119)104-49)33-138-137-32-52(106-66(123)44(14-10-24-92-79(88)89)98-65(122)43(13-9-23-91-78(86)87)97-61(118)36(3)94-72(51)129)74(131)101-45(16-19-55(82)112)67(124)100-46(17-20-56(83)113)68(125)103-48(60(85)117)27-40-29-90-34-93-40/h29,34-39,41-54,59,111H,7-28,30-33,80-81H2,1-6H3,(H2,82,112)(H2,83,113)(H2,84,114)(H2,85,117)(H,90,93)(H,94,129)(H,95,133)(H,96,121)(H,97,118)(H,98,122)(H,99,130)(H,100,124)(H,101,131)(H,102,132)(H,103,125)(H,104,119)(H,105,120)(H,106,123)(H,107,127)(H,108,128)(H,109,126)(H,115,116)(H4,86,87,91)(H4,88,89,92)/t36-,37-,38-,39+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C(C)C)Cc1ccc(cc1)O)CS)CCCCN)CS)CCCCN)CCCCN)CCSC)CS)CCCCN)CCCNC(=N)N)CC(=O)O)C(C)C)Cc1ccccc1)C)C)NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(C(O)C)N)Cc1ccccc1)CC(=O)O)CC(=O)O)CS)CO)CCCCN)CCC(=O)O)CS)C)CS" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)Cc1ccc(cc1)O)CS)CCCCN)CS)CCCCN)CCCCN)CCSC)CS)CCCCN)CCCNC(=N)N)CC(=O)O)C(C)C)Cc1ccccc1)C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)N)Cc1ccccc1)CC(=O)O)CC(=O)O)CS)CO)CCCCN)CCC(=O)O)CS)C)CS" . "IYKSHBADGOZWIF-UTPLJIOFSA-N" . "InChI=1S/C177H281N47O50S7/c1-17-92(10)141(222-159(256)116(71-99-42-22-19-23-43-99)207-169(266)136(184)96(14)226)173(270)210-120(76-135(238)239)160(257)219-138(89(4)5)171(268)209-119(75-134(236)237)157(254)216-127(87-280)167(264)223-142(97(15)227)174(271)220-139(90(6)7)172(269)211-121(81-225)161(258)199-109(49-29-35-64-181)151(248)202-112(58-59-132(232)233)154(251)215-125(85-278)166(263)206-117(73-101-77-188-104-45-25-24-44-103(101)104)155(252)194-95(13)175(272)224-68-39-53-128(224)168(265)217-126(86-279)164(261)200-108(48-28-34-63-180)148(245)193-93(11)143(240)192-94(12)144(241)204-114(70-98-40-20-18-21-41-98)147(244)191-80-131(231)218-137(88(2)3)170(267)208-118(74-133(234)235)156(253)197-105(52-38-67-187-177(185)186)145(242)189-78-129(229)196-107(47-27-33-62-179)150(247)212-123(83-276)163(260)203-113(60-69-281-16)146(243)190-79-130(230)195-106(46-26-32-61-178)149(246)198-110(50-30-36-65-182)152(249)213-122(82-275)162(259)201-111(51-31-37-66-183)153(250)214-124(84-277)165(262)205-115(72-100-54-56-102(228)57-55-100)158(255)221-140(91(8)9)176(273)274/h18-25,40-45,54-57,77,88-97,105-128,136-142,188,225-228,275-280H,17,26-39,46-53,58-76,78-87,178-184H2,1-16H3,(H,189,242)(H,190,243)(H,191,244)(H,192,240)(H,193,245)(H,194,252)(H,195,230)(H,196,229)(H,197,253)(H,198,246)(H,199,258)(H,200,261)(H,201,259)(H,202,248)(H,203,260)(H,204,241)(H,205,262)(H,206,263)(H,207,266)(H,208,267)(H,209,268)(H,210,270)(H,211,269)(H,212,247)(H,213,249)(H,214,250)(H,215,251)(H,216,254)(H,217,265)(H,218,231)(H,219,257)(H,220,271)(H,221,255)(H,222,256)(H,223,264)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,273,274)(H4,185,186,187)/t92-,93-,94-,95-,96+,97+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,136-,137-,138-,139-,140-,141-,142-/m0/s1" . "O=C1C=C2C(OC1C(O)(C)C)CCC1(C2(O)CCC2C1(C)c1[nH]c3c(c1C2)cccc3)C" . "O=C1C=C2C(OC1C(O)(C)C)CCC1(C2(O)CCC2C1(C)c1[nH]c3c(c1C2)cccc3)C" . "ACNHBCIZLNNLRS-UHFFFAOYSA-N" . "InChI=1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3" . "O=C(Nc1cc(ccc1O)C(F)(F)F)Nc1cc(ccc1O)C(F)(F)F" . "O=C(Nc1cc(ccc1O)C(F)(F)F)Nc1cc(ccc1O)C(F)(F)F" . "NJFVQMRYJZHGME-UHFFFAOYSA-N" . "InChI=1S/C15H10F6N2O3/c16-14(17,18)7-1-3-11(24)9(5-7)22-13(26)23-10-6-8(15(19,20)21)2-4-12(10)25/h1-6,24-25H,(H2,22,23,26)" . "COc1ccc(cc1C1(F)C(=O)Nc2c1ccc(c2)C(F)(F)F)Cl" . "COc1ccc(cc1[C@]1(F)C(=O)Nc2c1ccc(c2)C(F)(F)F)Cl" . "ULYONBAOIMCNEH-HNNXBMFYSA-N" . "InChI=1S/C16H10ClF4NO2/c1-24-13-5-3-9(17)7-11(13)15(18)10-4-2-8(16(19,20)21)6-12(10)22-14(15)23/h2-7H,1H3,(H,22,23)/t15-/m0/s1" . "O=C(c1cn(c2c1cccc2)C)C1CCc2c(C1)[nH]cn2" . "O=C(c1cn(c2c1cccc2)C([3H])([3H])[3H])[C@@H]1CCc2c(C1)[nH]cn2" . "NTHPAPBPFQJABD-WENCKANPSA-N" . "InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1/i1T3" . "Clc1cccc(c1)N=C(N=C(N)N)N" . "Clc1cccc(c1)N=C(N=C(N)N)N" . "DIHXJZHAIHGSAW-UHFFFAOYSA-N" . "InChI=1S/C8H10ClN5/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)" . "O=C(c1cn(c2c1cccc2)C)CCc1nc[nH]c1C" . "O=C(c1cn(c2c1cccc2)C)CCc1nc[nH]c1C" . "QZNZJWLUNDXZQA-UHFFFAOYSA-N" . "InChI=1S/C16H17N3O/c1-11-14(18-10-17-11)7-8-16(20)13-9-19(2)15-6-4-3-5-12(13)15/h3-6,9-10H,7-8H2,1-2H3,(H,17,18)" . "CN1C2CCC1CC(C2)NC(=O)N1CC(c2c1cccc2)(C)C" . "CN1[C@@H]2CC[C@H]1C[C@H](C2)NC(=O)N1CC(c2c1cccc2)(C)C" . "ILXWRFDRNAKTDD-QDMKHBRRSA-N" . "InChI=1S/C19H27N3O/c1-19(2)12-22(17-7-5-4-6-16(17)19)18(23)20-13-10-14-8-9-15(11-13)21(14)3/h4-7,13-15H,8-12H2,1-3H3,(H,20,23)/t13-,14+,15-" . "O=C(c1cn(c2c1cccc2)C)C1CCc2c(C1)[nH]cn2" . "O=C(c1cn(c2c1cccc2)C)[C@@H]1CCc2c(C1)[nH]cn2" . "NTHPAPBPFQJABD-LLVKDONJSA-N" . "InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1" . "CN1C2CCCC1CC(C2)NC(=O)c1nn(c2c1cccc2)C" . "CN1[C@@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(c2c1cccc2)C" . "MFWNKCLOYSRHCJ-AGUYFDCRSA-N" . "InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12?,13-,14+" . "CCO" . "CCO" . "LFQSCWFLJHTTHZ-UHFFFAOYSA-N" . "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3" . "COc1ccc(cc1)C1Sc2ccccc2N(C(=O)C1OC(=O)C)CCN(C)C" . "COc1ccc(cc1)[C@@H]1Sc2ccccc2N(C(=O)[C@@H]1OC(=O)C)CCN(C)C" . "HSUGRBWQSSZJOP-RTWAWAEBSA-N" . "InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1" . "O=C1C(CCc2c1c1cccc3c1n2CCC3)Cn1ccnc1C" . "O=C1[C@H](CCc2c1c1cccc3c1n2CCC3)Cn1ccnc1C" . "NCNFDKWULDWJDS-OAHLLOKOSA-N" . "InChI=1S/C20H21N3O/c1-13-21-9-11-22(13)12-15-7-8-17-18(20(15)24)16-6-2-4-14-5-3-10-23(17)19(14)16/h2,4,6,9,11,15H,3,5,7-8,10,12H2,1H3/t15-/m1/s1" . "O=C1N(CCc2c1c1ccccc1n2C)Cc1nc[nH]c1C" . "O=C1N(CCc2c1c1ccccc1n2C)Cc1nc[nH]c1C" . "JSWZEAMFRNKZNL-UHFFFAOYSA-N" . "InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19)" . "Oc1ccc2c(c1)cc[nH]2" . "Oc1ccc2c(c1)cc[nH]2" . "LMIQERWZRIFWNZ-UHFFFAOYSA-N" . "InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H" . "COc1cc2CCN(C3c2cc1Oc1cc(ccc1O)CC1c2c(CC[N+]1(C)C)cc(c(c2Oc1ccc(C3)cc1)O)OC)C" . "COc1cc2CCN([C@@H]3c2cc1Oc1cc(ccc1O)C[C@@H]1c2c(CC[N+]1(C)C)cc(c(c2Oc1ccc(C3)cc1)O)OC)C" . "JFJZZMVDLULRGK-URLMMPGGSA-O" . "InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1/t28-,29+/m0/s1" . "OCC(Cl)(Cl)Cl" . "OCC(Cl)(Cl)Cl" . "KPWDGTGXUYRARH-UHFFFAOYSA-N" . "InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2" . "CN1C2CCCC1CC(C2)NC(=O)c1nn(c2c1cccc2)C" . "CN1C2CCCC1CC(C2)NC(=O)c1nn(c2c1cccc2)C" . "MFWNKCLOYSRHCJ-UHFFFAOYSA-N" . "InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)" . "CC(=C)C1C2OC(=O)C1C1(C3(C2OC(=O)C23C(C1)O2)C)O" . "CC(=C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1([C@]3([C@@H]2OC(=O)[C@]23[C@@H](C1)O2)C)O" . "PIMZUZSSNYHVCU-YKWPQBAZSA-N" . "InChI=1S/C15H16O6/c1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h6-10,18H,1,4H2,2-3H3/t6-,7+,8-,9-,10-,13-,14-,15+/m1/s1" . "O=C1C(CCc2c1c1ccccc1n2C)Cn1ccnc1C" . "O=C1C(CCc2c1c1ccccc1n2C)Cn1ccnc1C" . "FELGMEQIXOGIFQ-UHFFFAOYSA-N" . "InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3" . "COc1cc(N)c(cc1C(=O)NC1CN2CCC1CC2)Cl" . "COc1cc(N)c(cc1C(=O)N[C@@H]1CN2CCC1CC2)Cl" . "FEROPKNOYKURCJ-CYBMUJFWSA-N" . "InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m1/s1" . "COc1cc(N)c(cc1C(=O)NC1CN2CCC1CC2)Cl" . "COc1cc(N)c(cc1C(=O)N[C@H]1CN2CCC1CC2)Cl" . "FEROPKNOYKURCJ-ZDUSSCGKSA-N" . "InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m0/s1" . "Clc1cccc(c1)N=C(N=C(N)N)N" . "Clc1cccc(c1)N=C(N=C(N)N)N" . "DIHXJZHAIHGSAW-UHFFFAOYSA-N" . "InChI=1S/C8H10ClN5/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)" . "COC(=O)C1C(CC2N(C1CC2)C)OC(=O)c1ccccc1" . "COC(=O)[C@H]1[C@H](C[C@H]2N([C@@H]1CC2)C)OC(=O)c1ccccc1" . "ZPUCINDJVBIVPJ-LJISPDSOSA-N" . "InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1" . "Clc1cc2N(C)C(=O)COc2c(c1)C(=O)NC1CN2CCC1CC2" . "Clc1cc2N(C)C(=O)COc2c(c1)C(=O)NC1CN2CCC1CC2" . "WUKZPHOXUVCQOR-UHFFFAOYSA-N" . "InChI=1S/C17H20ClN3O3/c1-20-14-7-11(18)6-12(16(14)24-9-15(20)22)17(23)19-13-8-21-4-2-10(13)3-5-21/h6-7,10,13H,2-5,8-9H2,1H3,(H,19,23)" . "NC(=Nc1ccccc1)N=C(N)N" . "NC(=Nc1ccccc1)N=C(N)N" . "CUQCMXFWIMOWRP-UHFFFAOYSA-N" . "InChI=1S/C8H11N5/c9-7(10)13-8(11)12-6-4-2-1-3-5-6/h1-5H,(H6,9,10,11,12,13)" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)CCCCN)CC(=O)N)CCCCN)C(CC)C)CO)CCC(=O)N)CC(C)C)Cc1ccc(cc1)O)CCCCN)CCCCN)C)C)C(C)C)CCC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1nc[nH]c1)N)CO)CC(=O)O)C)Cc1ccccc1)CC(=O)O)CC(=O)N)Cc1ccc(cc1)O)CCCN=C(N)N)CC(C)C)CCCN=C(N)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O" . "XALJYDFLMDKOLY-ZBLLYJRDSA-N" . "InChI=1S/C167H269N51O47/c1-16-86(10)131(161(261)200-105(39-24-29-63-172)143(243)206-116(74-125(176)228)152(252)196-103(37-22-27-61-170)139(239)195-107(41-31-65-186-166(180)181)145(245)211-120(164(264)265)72-95-47-53-99(225)54-48-95)216-158(258)122(80-220)213-146(246)109(55-57-123(174)226)199-150(250)112(68-83(4)5)203-151(251)113(70-93-43-49-97(223)50-44-93)204-142(242)104(38-23-28-62-171)194-138(238)101(35-20-25-59-168)192-135(235)88(12)189-134(234)87(11)191-159(259)129(84(6)7)215-147(247)110(56-58-124(175)227)198-140(240)102(36-21-26-60-169)193-141(241)106(40-30-64-185-165(178)179)197-149(249)111(67-82(2)3)202-144(244)108(42-32-66-187-167(182)183)201-162(262)132(90(14)221)217-155(255)114(71-94-45-51-98(224)52-46-94)205-153(253)117(75-126(177)229)207-154(254)119(77-128(232)233)210-163(263)133(91(15)222)218-156(256)115(69-92-33-18-17-19-34-92)209-160(260)130(85(8)9)214-136(236)89(13)190-148(248)118(76-127(230)231)208-157(257)121(79-219)212-137(237)100(173)73-96-78-184-81-188-96/h17-19,33-34,43-54,78,81-91,100-122,129-133,219-225H,16,20-32,35-42,55-77,79-80,168-173H2,1-15H3,(H2,174,226)(H2,175,227)(H2,176,228)(H2,177,229)(H,184,188)(H,189,234)(H,190,248)(H,191,259)(H,192,235)(H,193,241)(H,194,238)(H,195,239)(H,196,252)(H,197,249)(H,198,240)(H,199,250)(H,200,261)(H,201,262)(H,202,244)(H,203,251)(H,204,242)(H,205,253)(H,206,243)(H,207,254)(H,208,257)(H,209,260)(H,210,263)(H,211,245)(H,212,237)(H,213,246)(H,214,236)(H,215,247)(H,216,258)(H,217,255)(H,218,256)(H,230,231)(H,232,233)(H,264,265)(H4,178,179,185)(H4,180,181,186)(H4,182,183,187)/t86-,87-,88-,89-,90+,91+,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,129-,130-,131-,132-,133-/m0/s1" . "CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C" . "CN(CCC1(OC(=O)c2c(C1)cccc2)c1ccc(cc1)Cl)C" . "HIVBATDUVFEJFZ-UHFFFAOYSA-N" . "InChI=1S/C19H20ClNO2/c1-21(2)12-11-19(15-7-9-16(20)10-8-15)13-14-5-3-4-6-17(14)18(22)23-19/h3-10H,11-13H2,1-2H3" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N)CO)C(O)C)CCCNC(=N)N)CO)CC(C)C)C(CC)C)CO)C)CC(C)C)Cc1ccc(cc1)O)CCCCN)CCC(=O)N)CC(C)C)C)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1[nH]cnc1)N)CO)CC(=O)O)C)Cc1ccccc1)CCC(=O)N)CCC(=O)N)Cc1ccc(cc1)O)CO)CCCCN)CC(C)C)CC(C)C)C" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N)CO)[C@H](O)C)CCCNC(=N)N)CO)CC(C)C)[C@H](CC)C)CO)C)CC(C)C)Cc1ccc(cc1)O)CCCCN)CCC(=O)N)CC(C)C)C)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1[nH]cnc1)N)CO)CC(=O)O)C)Cc1ccccc1)CCC(=O)N)CCC(=O)N)Cc1ccc(cc1)O)CO)CCCCN)CC(C)C)CC(C)C)C" . "SSAAJZQUEUTACT-MDBKHZGBSA-N" . "InChI=1S/C176H285N47O49/c1-23-93(15)138(217-146(243)98(20)194-159(256)124(78-137(237)238)210-167(264)126(82-225)214-147(244)107(180)77-104-79-187-86-190-104)169(266)212-123(74-101-38-26-25-27-39-101)164(261)220-140(99(21)229)171(268)202-114(57-60-135(183)235)153(250)200-113(56-59-134(182)234)154(251)209-122(76-103-49-53-106(232)54-50-103)163(260)215-127(83-226)166(263)198-110(42-30-33-63-179)150(247)205-120(73-92(13)14)161(258)206-117(70-89(7)8)157(254)191-95(17)143(240)196-108(40-28-31-61-177)149(246)204-116(69-88(5)6)156(253)192-96(18)144(241)203-119(72-91(11)12)160(257)201-112(55-58-133(181)233)152(249)197-109(41-29-32-62-178)151(248)208-121(75-102-47-51-105(231)52-48-102)162(259)207-118(71-90(9)10)158(255)193-97(19)145(242)213-128(84-227)168(265)218-139(94(16)24-2)170(267)211-115(68-87(3)4)148(245)189-80-136(236)195-125(81-224)165(262)199-111(43-34-64-188-176(185)186)155(252)219-141(100(22)230)172(269)216-129(85-228)173(270)222-66-36-45-131(222)175(272)223-67-37-46-132(223)174(271)221-65-35-44-130(221)142(184)239/h25-27,38-39,47-54,79,86-100,107-132,138-141,224-232H,23-24,28-37,40-46,55-78,80-85,177-180H2,1-22H3,(H2,181,233)(H2,182,234)(H2,183,235)(H2,184,239)(H,187,190)(H,189,245)(H,191,254)(H,192,253)(H,193,255)(H,194,256)(H,195,236)(H,196,240)(H,197,249)(H,198,263)(H,199,262)(H,200,250)(H,201,257)(H,202,268)(H,203,241)(H,204,246)(H,205,247)(H,206,258)(H,207,259)(H,208,248)(H,209,251)(H,210,264)(H,211,267)(H,212,266)(H,213,242)(H,214,244)(H,215,260)(H,216,269)(H,217,243)(H,218,265)(H,219,252)(H,220,261)(H,237,238)(H4,185,186,188)/t93-,94-,95-,96-,97-,98-,99+,100+,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,138-,139-,140-,141-/m0/s1" . "CCC(C(C(=O)C1(C=O)CCCN1C(=O)C(CC1=NC(N=C1)(C(=O)N1CCCCC1)C(=O)N1CCCCC1)N)NC(=O)C(Cc1ccc2c(c1)cccc2)N)C" . "CC[C@@H]([C@@H](C(=O)[C@@]1(C=O)CCCN1C(=O)[C@@H](CC1=NC(N=C1)(C(=O)N1CCCCC1)C(=O)N1CCCCC1)N)NC(=O)[C@H](Cc1ccc2c(c1)cccc2)N)C" . "OCVKQRQVXSMCCJ-HWFQYKCLSA-N" . "InChI=1S/C42H56N8O6/c1-3-28(2)35(46-37(53)33(43)24-29-15-16-30-13-6-7-14-31(30)23-29)36(52)41(27-51)17-12-22-50(41)38(54)34(44)25-32-26-45-42(47-32,39(55)48-18-8-4-9-19-48)40(56)49-20-10-5-11-21-49/h6-7,13-16,23,26-28,33-35H,3-5,8-12,17-22,24-25,43-44H2,1-2H3,(H,46,53)/t28-,33-,34+,35-,41-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)CCCCN)CC(=O)N)CCCCN)C(CC)C)CO)CCC(=O)N)CC(C)C)Cc1ccc(cc1)O)CCCCN)CCCCN)C)C)C(C)C)CCC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1nc[nH]c1)N)CO)CC(=O)O)C)Cc1ccccc1)CC(=O)O)CC(=O)N)Cc1ccc(cc1)O)CCCN=C(N)N)CC(C)C)CCCN=C(N)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O" . "XALJYDFLMDKOLY-ZBLLYJRDSA-N" . "InChI=1S/C167H269N51O47/c1-16-86(10)131(161(261)200-105(39-24-29-63-172)143(243)206-116(74-125(176)228)152(252)196-103(37-22-27-61-170)139(239)195-107(41-31-65-186-166(180)181)145(245)211-120(164(264)265)72-95-47-53-99(225)54-48-95)216-158(258)122(80-220)213-146(246)109(55-57-123(174)226)199-150(250)112(68-83(4)5)203-151(251)113(70-93-43-49-97(223)50-44-93)204-142(242)104(38-23-28-62-171)194-138(238)101(35-20-25-59-168)192-135(235)88(12)189-134(234)87(11)191-159(259)129(84(6)7)215-147(247)110(56-58-124(175)227)198-140(240)102(36-21-26-60-169)193-141(241)106(40-30-64-185-165(178)179)197-149(249)111(67-82(2)3)202-144(244)108(42-32-66-187-167(182)183)201-162(262)132(90(14)221)217-155(255)114(71-94-45-51-98(224)52-46-94)205-153(253)117(75-126(177)229)207-154(254)119(77-128(232)233)210-163(263)133(91(15)222)218-156(256)115(69-92-33-18-17-19-34-92)209-160(260)130(85(8)9)214-136(236)89(13)190-148(248)118(76-127(230)231)208-157(257)121(79-219)212-137(237)100(173)73-96-78-184-81-188-96/h17-19,33-34,43-54,78,81-91,100-122,129-133,219-225H,16,20-32,35-42,55-77,79-80,168-173H2,1-15H3,(H2,174,226)(H2,175,227)(H2,176,228)(H2,177,229)(H,184,188)(H,189,234)(H,190,248)(H,191,259)(H,192,235)(H,193,241)(H,194,238)(H,195,239)(H,196,252)(H,197,249)(H,198,240)(H,199,250)(H,200,261)(H,201,262)(H,202,244)(H,203,251)(H,204,242)(H,205,253)(H,206,243)(H,207,254)(H,208,257)(H,209,260)(H,210,263)(H,211,245)(H,212,237)(H,213,246)(H,214,236)(H,215,247)(H,216,258)(H,217,255)(H,218,256)(H,230,231)(H,232,233)(H,264,265)(H4,178,179,185)(H4,180,181,186)(H4,182,183,187)/t86-,87-,88-,89-,90+,91+,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,129-,130-,131-,132-,133-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CC(C)C)C(CC)C)CC(=O)O)CCC(=O)N)CC(C)C)CC(C)C)CCCCN)CCCN=C(N)N)C)CO)CC(C)C)CCCN=C(N)N)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1nc[nH]c1)NC(=O)C)Cc1ccccc1)CC(=O)O)C)Cc1ccccc1)CC(=O)N)CO)Cc1ccc(cc1)O)CCCN=C(N)N)CCCCN)CC(C)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O" . "ATUJPFYFVOFWAC-MVAHIZQLSA-N" . "InChI=1S/C150H246N44O38/c1-21-82(16)119(146(231)178-99(121(156)206)59-75(2)3)193-141(226)110(70-116(204)205)184-129(214)98(51-52-113(154)200)177-132(217)100(60-76(4)5)181-134(219)101(61-77(6)7)179-127(212)93(42-29-32-54-152)172-125(210)95(44-34-56-164-148(157)158)171-122(207)83(17)169-142(227)111(72-195)189-135(220)102(62-78(8)9)180-128(213)97(46-36-58-166-150(161)162)174-124(209)92(41-28-31-53-151)175-133(218)103(63-79(10)11)186-145(230)118(81(14)15)192-130(215)94(43-30-33-55-153)173-126(211)96(45-35-57-165-149(159)160)176-136(221)105(66-89-47-49-91(199)50-48-89)183-143(228)112(73-196)190-139(224)108(68-114(155)201)188-147(232)120(85(19)197)194-140(225)106(65-88-39-26-23-27-40-88)187-144(229)117(80(12)13)191-123(208)84(18)168-131(216)109(69-115(202)203)185-137(222)104(64-87-37-24-22-25-38-87)182-138(223)107(170-86(20)198)67-90-71-163-74-167-90/h22-27,37-40,47-50,71,74-85,92-112,117-120,195-197,199H,21,28-36,41-46,51-70,72-73,151-153H2,1-20H3,(H2,154,200)(H2,155,201)(H2,156,206)(H,163,167)(H,168,216)(H,169,227)(H,170,198)(H,171,207)(H,172,210)(H,173,211)(H,174,209)(H,175,218)(H,176,221)(H,177,217)(H,178,231)(H,179,212)(H,180,213)(H,181,219)(H,182,223)(H,183,228)(H,184,214)(H,185,222)(H,186,230)(H,187,229)(H,188,232)(H,189,220)(H,190,224)(H,191,208)(H,192,215)(H,193,226)(H,194,225)(H,202,203)(H,204,205)(H4,157,158,164)(H4,159,160,165)(H4,161,162,166)/t82-,83-,84-,85+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104+,105-,106-,107-,108-,109-,110-,111-,112-,117-,118-,119-,120-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CC(C)C)C(C)C)C)C)CC(C)C)Cc1ccc(cc1)O)CCCCN)CCCCN)C(C)C)C)CCSC)CCC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1[nH]cnc1)N)CO)CC(=O)O)Cc1ccccc1)CC(=O)O)CO)Cc1ccc(cc1)O)CO)CCCNC(=N)N)Cc1ccc(cc1)O)CCCNC(=N)N" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CC(C)C)C(C)C)C)C)CC(C)C)Cc1ccc(cc1)O)CCCCN)CCCCN)C(C)C)C)CCSC)CCC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1[nH]cnc1)N)CO)CC(=O)O)Cc1ccccc1)CC(=O)O)CO)Cc1ccc(cc1)O)CO)CCCNC(=N)N)Cc1ccc(cc1)O)CCCNC(=N)N" . "RZGBUJXSKLDAFE-UHFFFAOYSA-N" . "InChI=1S/C142H224N40O39S/c1-16-75(10)113(179-108(191)66-156-120(201)102(63-109(192)193)173-135(216)104(67-183)176-119(200)88(146)62-84-65-153-70-157-84)139(220)174-101(58-80-28-18-17-19-29-80)133(214)182-114(79(14)186)140(221)175-103(64-110(194)195)132(213)178-106(69-185)136(217)172-100(61-83-39-45-87(189)46-40-83)131(212)177-105(68-184)134(215)164-93(34-27-54-155-142(151)152)126(207)170-98(59-81-35-41-85(187)42-36-81)129(210)163-92(33-26-53-154-141(149)150)124(205)161-89(30-20-23-50-143)122(203)165-94(47-48-107(147)190)127(208)166-95(49-55-222-15)121(202)159-78(13)118(199)180-111(73(6)7)137(218)167-91(32-22-25-52-145)123(204)162-90(31-21-24-51-144)125(206)171-99(60-82-37-43-86(188)44-38-82)130(211)169-97(57-72(4)5)128(209)160-76(11)116(197)158-77(12)117(198)181-112(74(8)9)138(219)168-96(115(148)196)56-71(2)3/h17-19,28-29,35-46,65,70-79,88-106,111-114,183-189H,16,20-27,30-34,47-64,66-69,143-146H2,1-15H3,(H2,147,190)(H2,148,196)(H,153,157)(H,156,201)(H,158,197)(H,159,202)(H,160,209)(H,161,205)(H,162,204)(H,163,210)(H,164,215)(H,165,203)(H,166,208)(H,167,218)(H,168,219)(H,169,211)(H,170,207)(H,171,206)(H,172,217)(H,173,216)(H,174,220)(H,175,221)(H,176,200)(H,177,212)(H,178,213)(H,179,191)(H,180,199)(H,181,198)(H,182,214)(H,192,193)(H,194,195)(H4,149,150,154)(H4,151,152,155)" . "COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-]" . "COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-]" . "SKWSXDUHUVMPBT-UHFFFAOYSA-N" . "InChI=1S/C33H38N4O6/c1-23-24(7-5-15-36(23)40)21-34-16-13-27(14-17-34)43-28-9-10-29(31(20-28)41-2)32(38)35-18-11-26(12-19-35)37-30-8-4-3-6-25(30)22-42-33(37)39/h3-10,15,20,26-27H,11-14,16-19,21-22H2,1-2H3" . "COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C" . "COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C" . "WDERJSQJYIJOPD-UHFFFAOYSA-N" . "InChI=1S/C28H33N3O6/c1-19(32)29-15-11-22(12-16-29)37-23-7-8-24(26(17-23)35-2)27(33)30-13-9-21(10-14-30)31-25-6-4-3-5-20(25)18-36-28(31)34/h3-8,17,21-22H,9-16,18H2,1-2H3" . "O=C(C(CCS(=O)(=O)C)N)NC1CC2C(C1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C" . "O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C" . "MWIASLNTAGRGGA-ZJPWWDJASA-N" . "InChI=1S/C26H42N4O5S2/c1-19-7-5-6-8-22(19)29-12-14-30(15-13-29)37(34,35)18-26-11-9-20(25(26,2)3)17-23(26)28-24(31)21(27)10-16-36(4,32)33/h5-8,20-21,23H,9-18,27H2,1-4H3,(H,28,31)/t20-,21+,23+,26-/m1/s1" . "O=C(Cc1cnc[nH]1)NC1CC2C(C1(CC2)CS(=O)(=O)N1CCC2(CC1)CCc1c2cccc1)(C)C" . "O=C(Cc1cnc[nH]1)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCC2(CC1)CCc1c2cccc1)(C)C" . "VQAVBHLGXVZOKM-RASJMTDNSA-N" . "InChI=1S/C28H38N4O3S/c1-26(2)21-8-10-28(26,24(15-21)31-25(33)16-22-17-29-19-30-22)18-36(34,35)32-13-11-27(12-14-32)9-7-20-5-3-4-6-23(20)27/h3-6,17,19,21,24H,7-16,18H2,1-2H3,(H,29,30)(H,31,33)/t21-,24+,28-/m1/s1" . "C=CC(C(C(=O)N1CCCCC1(C=O)C(=O)N1CCCCC1)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)N)C" . "C=C[C@@H]([C@@H](C(=O)N1CCCC[C@]1(C=O)C(=O)N1CCCCC1)NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1cnc[nH]1)N)C" . "QHUGACUEEILSLD-NNWJBWDNSA-N" . "InChI=1S/C40H53N9O6/c1-3-26(2)34(38(54)49-19-10-7-15-40(49,24-50)39(55)47-16-8-4-9-17-47)46-35(51)32(20-27-22-43-31-13-6-5-12-29(27)31)45-36(52)33-14-11-18-48(33)37(53)30(41)21-28-23-42-25-44-28/h3,5-6,12-13,22-26,30,32-34,43H,1,4,7-11,14-21,41H2,2H3,(H,42,44)(H,45,52)(H,46,51)/t26-,30+,32+,33-,34-,40-/m0/s1" . "OC(=O)CC1(O)CC2C(C1(CC2)CS(=O)(=O)N1CCC2(CC1)C=Cc1c2cccc1)(C)C" . "OC(=O)CC1(O)CC2C(C1(CC2)CS(=O)(=O)N1CCC2(CC1)C=Cc1c2cccc1)(C)C" . "XKVDTEPESVJNPJ-UHFFFAOYSA-N" . "InChI=1S/C25H33NO5S/c1-22(2)19-8-10-24(22,25(29,15-19)16-21(27)28)17-32(30,31)26-13-11-23(12-14-26)9-7-18-5-3-4-6-20(18)23/h3-7,9,19,29H,8,10-17H2,1-2H3,(H,27,28)" . "CCC(C1NC(=O)C(Cc2ccccc2)NC(=O)C2CCCN2C(=O)C(N(C(=O)C2N(C(=O)C3N(C1=O)N=CCC3)N=CCC2)C)Cc1ccccc1)C" . "CC[C@@H]([C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](N(C(=O)[C@H]2N(C(=O)[C@@H]3N(C1=O)N=CCC3)N=CCC2)C)Cc1ccccc1)C" . "IFHSSGUGRIXWQU-NSTWBPGMSA-N" . "InChI=1S/C40H50N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,21-22,26,29-34H,4,11-13,18-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26-,29+,30-,31-,32+,33+,34-/m0/s1" . "CC(CC1C(=O)NC(C(=O)N1C(c1ccc(cc1F)F)C(=O)NC(C)C)C1Cc2c(C1)cccc2)C" . "CC(C[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c1ccc(cc1F)F)C(=O)NC(C)C)C1Cc2c(C1)cccc2)C" . "QGSYCKKZFPLTMQ-UBFVSLLYSA-N" . "InChI=1S/C28H33F2N3O3/c1-15(2)11-23-26(34)32-24(19-12-17-7-5-6-8-18(17)13-19)28(36)33(23)25(27(35)31-16(3)4)21-10-9-20(29)14-22(21)30/h5-10,14-16,19,23-25H,11-13H2,1-4H3,(H,31,35)(H,32,34)/t23-,24-,25-/m1/s1" . "Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C" . "Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C" . "PPHTXRNHTVLQED-UHFFFAOYSA-N" . "InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)" . "CCC(C(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CCCN=C(N)N)CS)CC(=O)N)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)CC1CCCCC1=S)Cc1ccccc1)C" . "CC[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CCCN=C(N)N)CS)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)CC1CCCCC1=S)Cc1ccccc1)C" . "CNWFVLCMGVAHSD-HAEBMLOOSA-N" . "InChI=1S/C49H77N13O10S2/c1-5-27(3)40(60-39(65)23-30-16-10-11-19-36(30)74)46(70)57-32(22-29-14-8-7-9-15-29)44(68)61-41(28(4)6-2)47(71)58-33(24-37(50)63)43(67)59-34(26-73)48(72)62-21-13-18-35(62)45(69)56-31(17-12-20-54-49(52)53)42(66)55-25-38(51)64/h7-9,14-15,27-28,30-35,40-41,73H,5-6,10-13,16-26H2,1-4H3,(H2,50,63)(H2,51,64)(H,55,66)(H,56,69)(H,57,70)(H,58,71)(H,59,67)(H,60,65)(H,61,68)(H4,52,53,54)/t27-,28+,30?,31-,32-,33-,34-,35-,40-,41+/m0/s1" . "NCCc1ccc(cc1)O" . "NCCc1ccc(cc1)O" . "DZGWFCGJZKJUFP-UHFFFAOYSA-N" . "InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2" . "NCC(c1ccc(cc1)O)O" . "NCC(c1ccc(cc1)O)O" . "QHGUCRYDKWKLMG-UHFFFAOYSA-N" . "InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2" . "CCOc1ccc2c(c1)C1(CCC(CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C" . "CCOc1ccc2c(c1)C1(CCC(CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C" . "QKXJWFOKVQWEDZ-UHFFFAOYSA-N" . "InChI=1S/C33H45N3O8S/c1-6-43-25-8-9-27-26(22-25)33(13-11-24(12-14-33)44-20-17-35-15-18-42-19-16-35)31(38)36(27)45(39,40)29-10-7-23(21-28(29)41-5)30(37)34-32(2,3)4/h7-10,21-22,24H,6,11-20H2,1-5H3,(H,34,37)" . "Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C" . "Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C" . "GYHCTFXIZSNGJT-UHFFFAOYSA-N" . "InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)" . "COc1ccc(cc1)CC1NC(=O)CC(C)(C)SSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)Cc1ccccc1)CCC(=O)N)CC(=O)N)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CCCN=C(N)N" . "COc1ccc(cc1)CC1NC(=O)CC(C)(C)SSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)Cc1ccccc1)CCC(=O)N)CC(=O)N)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CCCN=C(N)N" . "HNOGCDKPALYUIG-UHFFFAOYSA-N" . "InChI=1S/C49H70N14O12S2/c1-49(2)24-40(67)57-32(22-28-13-15-29(75-3)16-14-28)43(70)60-33(21-27-9-5-4-6-10-27)44(71)58-31(17-18-37(50)64)42(69)61-34(23-38(51)65)45(72)62-35(26-76-77-49)47(74)63-20-8-12-36(63)46(73)59-30(11-7-19-55-48(53)54)41(68)56-25-39(52)66/h4-6,9-10,13-16,30-36H,7-8,11-12,17-26H2,1-3H3,(H2,50,64)(H2,51,65)(H2,52,66)(H,56,68)(H,57,67)(H,58,71)(H,59,73)(H,60,70)(H,61,69)(H,62,72)(H4,53,54,55)" . "CCC1(OC(=CC1=O)C(=O)O)c1ccccc1" . "CCC1(OC(=CC1=O)C(=O)O)c1ccccc1" . "SUHZZFNDVLWPTL-UHFFFAOYSA-N" . "InChI=1S/C13H12O4/c1-2-13(9-6-4-3-5-7-9)11(14)8-10(17-13)12(15)16/h3-8H,2H2,1H3,(H,15,16)" . "COc1ccc(cc1)CC1NC(=O)CC2(CCCCC2)SSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)Cc1ccccc1)CCC(=O)N)CC(=O)N)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CCCN=C(N)N" . "COc1ccc(cc1)C[C@H]1NC(=O)CC2(CCCCC2)SSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1ccccc1)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CCCN=C(N)N" . "QVQOGNOOAMQKCE-OVSZNHMYSA-N" . "InChI=1S/C52H74N14O12S2/c1-78-32-16-14-31(15-17-32)25-35-46(73)63-36(24-30-10-4-2-5-11-30)47(74)61-34(18-19-40(53)67)45(72)64-37(26-41(54)68)48(75)65-38(29-79-80-52(27-43(70)60-35)20-6-3-7-21-52)50(77)66-23-9-13-39(66)49(76)62-33(12-8-22-58-51(56)57)44(71)59-28-42(55)69/h2,4-5,10-11,14-17,33-39H,3,6-9,12-13,18-29H2,1H3,(H2,53,67)(H2,54,68)(H2,55,69)(H,59,71)(H,60,70)(H,61,74)(H,62,76)(H,63,73)(H,64,72)(H,65,75)(H4,56,57,58)/t33-,34-,35+,36-,37-,38-,39+/m0/s1" . "CCOc1ccc(cc1)CC1NC(=O)CC2(CCCCC2)SSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)Cc1ccccc1)C(C)C)CC(=O)N)C(=O)N1CCCC1C(=O)NC(C(=O)N)CCCN=C(N)N" . "CCOc1ccc(cc1)C[C@H]1NC(=O)CC2(CCCCC2)SSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1ccccc1)C(C)C)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N)CCCN=C(N)N" . "DRLYXDZRLDZVIS-XXNQTUAPSA-N" . "InChI=1S/C51H74N12O10S2/c1-4-73-33-19-17-32(18-20-33)26-35-44(67)59-36(25-31-13-7-5-8-14-31)46(69)62-42(30(2)3)48(71)60-37(27-40(52)64)45(68)61-38(29-74-75-51(28-41(65)57-35)21-9-6-10-22-51)49(72)63-24-12-16-39(63)47(70)58-34(43(53)66)15-11-23-56-50(54)55/h5,7-8,13-14,17-20,30,34-39,42H,4,6,9-12,15-16,21-29H2,1-3H3,(H2,52,64)(H2,53,66)(H,57,65)(H,58,70)(H,59,67)(H,60,71)(H,61,68)(H,62,69)(H4,54,55,56)/t34-,35+,36-,37-,38-,39-,42-/m0/s1" . "NCCCC(C(=O)NCC(=O)N)NC(=O)C1CCCN1C(=O)C1CSSCCC(=O)NC(Cc2ccc(cc2)OCC)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)N)C(O)C)C(CC)C" . "NCCC[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2ccc(cc2)OCC)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)[C@H](O)C)[C@H](CC)C" . "VWXRQYYUEIYXCZ-OBIMUBPZSA-N" . "InChI=1S/C43H67N11O12S2/c1-5-23(3)35-41(63)53-36(24(4)55)42(64)50-29(20-32(45)56)38(60)51-30(43(65)54-17-8-10-31(54)40(62)49-27(9-7-16-44)37(59)47-21-33(46)57)22-68-67-18-15-34(58)48-28(39(61)52-35)19-25-11-13-26(14-12-25)66-6-2/h11-14,23-24,27-31,35-36,55H,5-10,15-22,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,59)(H,48,58)(H,49,62)(H,50,64)(H,51,60)(H,52,61)(H,53,63)/t23-,24+,27-,28+,29-,30-,31-,35-,36-/m0/s1" . "CN(C1CCN(CC1)C(=O)C=C1c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C" . "CN(C1CCN(CC1)C(=O)/C=C/1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C" . "ICRPTZMWRJGNQI-CLIDGEQKSA-N" . "InChI=1S/C39H38F2N4O3/c1-43(2)30-20-23-44(24-21-30)36(46)26-34-33-14-8-9-15-35(33)45(25-22-39(34,40)41)38(48)28-16-18-29(19-17-28)42-37(47)32-13-7-6-12-31(32)27-10-4-3-5-11-27/h3-19,26,30H,20-25H2,1-2H3,(H,42,47)/b34-26-" . "O=C(N1CCC(CC1)N1CCCCC1)C=C1c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccoc1C" . "O=C(N1CCC(CC1)N1CCCCC1)/C=C/1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccoc1C" . "VDUUABBYYOPFAW-WMMMYUQOSA-N" . "InChI=1S/C35H38F2N4O4/c1-24-28(15-22-45-24)33(43)38-26-11-9-25(10-12-26)34(44)41-21-16-35(36,37)30(29-7-3-4-8-31(29)41)23-32(42)40-19-13-27(14-20-40)39-17-5-2-6-18-39/h3-4,7-12,15,22-23,27H,2,5-6,13-14,16-21H2,1H3,(H,38,43)/b30-23-" . "Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1" . "Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1" . "IKENVDNFQMCRTR-UHFFFAOYSA-N" . "InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)" . "COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2C(C1=O)(N1CC(CC1C(=O)N(C)C)O)c1ccccc1OC)Cl" . "COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl" . "NJXZWIIMWNEOGJ-WEWKHQNJSA-N" . "InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1" . "CCN(C(=O)c1ccc(c(c1)C1(C)c2cc(Cl)ccc2N(C1=O)Cc1ccc(cc1OC)OC)Cl)Cc1cccnc1" . "CCN(C(=O)c1ccc(c(c1)[C@@]1(C)c2cc(Cl)ccc2N(C1=O)Cc1ccc(cc1OC)OC)Cl)Cc1cccnc1" . "UENRBNCNIZQNTR-XIFFEERXSA-N" . "InChI=1S/C33H31Cl2N3O4/c1-5-37(19-21-7-6-14-36-18-21)31(39)22-9-12-28(35)26(15-22)33(2)27-16-24(34)10-13-29(27)38(32(33)40)20-23-8-11-25(41-3)17-30(23)42-4/h6-18H,5,19-20H2,1-4H3/t33-/m0/s1" . "COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2C(C1C(=O)N1CCCC1C(=O)N)(O)c1ccccc1Cl)Cl" . "COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl" . "CEBYCSRFKCEUSW-NAYZPBBASA-N" . "InChI=1S/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34)/t22-,25-,28+/m0/s1" . "OC1C=CC2C34C1Oc1c4c(CC2NCC3)ccc1O" . "O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2NCC3)ccc1O" . "ONBWJWYUHXVEJS-ZTYRTETDSA-N" . "InChI=1S/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2/t9-,10+,12-,15-,16-/m0/s1" . "CCOc1ccc2c(c1)C1(CCC(CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C" . "CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C" . "QKXJWFOKVQWEDZ-VCCCEUOBSA-N" . "InChI=1S/C33H45N3O8S/c1-6-43-25-8-9-27-26(22-25)33(13-11-24(12-14-33)44-20-17-35-15-18-42-19-16-35)31(38)36(27)45(39,40)29-10-7-23(21-28(29)41-5)30(37)34-32(2,3)4/h7-10,21-22,24H,6,11-20H2,1-5H3,(H,34,37)/t24-,33+" . "Clc1cc(ccc1C(=O)N1CC2COCCN2Cc2c1cccc2)NC(=O)c1ccccc1c1ccccc1" . "Clc1cc(ccc1C(=O)N1C[C@H]2COCCN2Cc2c1cccc2)NC(=O)c1ccccc1c1ccccc1" . "TYWBAYRNYLDJBB-VWLOTQADSA-N" . "InChI=1S/C32H28ClN3O3/c33-29-18-24(34-31(37)27-12-6-5-11-26(27)22-8-2-1-3-9-22)14-15-28(29)32(38)36-20-25-21-39-17-16-35(25)19-23-10-4-7-13-30(23)36/h1-15,18,25H,16-17,19-21H2,(H,34,37)/t25-/m0/s1" . "O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C" . "O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C" . "WRNXUQJJCIZICJ-UHFFFAOYSA-N" . "InChI=1S/C27H29N3O2/c1-19-9-4-5-10-22(19)26(31)28-21-16-14-20(15-17-21)27(32)30-18-8-13-24(29(2)3)23-11-6-7-12-25(23)30/h4-7,9-12,14-17,24H,8,13,18H2,1-3H3,(H,28,31)" . "CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2" . "CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2" . "KSNUCNRMDYJBKT-UHFFFAOYSA-N" . "InChI=1S/C26H31N3O4/c1-19(30)27-15-4-18-33-23-10-7-21(8-11-23)26(32)28-16-13-22(14-17-28)29-24-6-3-2-5-20(24)9-12-25(29)31/h2-3,5-8,10-11,22H,4,9,12-18H2,1H3,(H,27,30)" . "CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C" . "CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C" . "BUKWNCANUKACAQ-UHFFFAOYSA-N" . "InChI=1S/C30H33ClN6O5S/c1-36(2)19-5-18-32-27(38)17-10-21-8-15-24(16-9-21)43(41,42)37(23-13-11-22(31)12-14-23)20-28(39)34-35-29-25-6-3-4-7-26(25)33-30(29)40/h3-4,6-9,11-16H,5,10,17-20H2,1-2H3,(H,32,38)(H,34,39)(H,33,35,40)" . "CON=C1CN(C(C1)C(=O)NCC(c1ccccc1)O)C(=O)c1ccc(cc1)c1ccccc1C" . "CO/N=C/1/CN([C@@H](C1)C(=O)NC[C@H](c1ccccc1)O)C(=O)c1ccc(cc1)c1ccccc1C" . "IBXGJPAYWMFXSF-UEEONYLUSA-N" . "InChI=1S/C28H29N3O4/c1-19-8-6-7-11-24(19)20-12-14-22(15-13-20)28(34)31-18-23(30-35-2)16-25(31)27(33)29-17-26(32)21-9-4-3-5-10-21/h3-15,25-26,32H,16-18H2,1-2H3,(H,29,33)/b30-23-/t25-,26+/m0/s1" . "NC(=O)CC1NC(=O)C(CCC(=O)N)NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)CCSSCC(NC1=O)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CCCN=C(N)N)Cc1ccc(cc1)O" . "NC(=O)CC1NC(=O)C(CCC(=O)N)NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)CCSSCC(NC1=O)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CCCN=C(N)N)Cc1ccc(cc1)O" . "NFLWUMRGJYTJIN-UHFFFAOYSA-N" . "InChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)" . "NC(=O)CC1NC(=O)C(CCC(=O)N)NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)CCSSCC(NC1=O)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CCCN=C(N)N)Cc1ccc(cc1)O" . "NC(=O)CC1NC(=O)C(CCC(=O)N)NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)CCSSCC(NC1=O)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CCCN=C(N)N)Cc1ccc(cc1)O" . "NFLWUMRGJYTJIN-UHFFFAOYSA-N" . "InChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)" . "NC(=O)CC1NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CSSCC(NC1=O)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CCCN=C(N)N)N)Cc1ccc(cc1)O)Cc1ccccc1)C(C)C" . "NC(=O)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)NCC(=O)N)CCCN=C(N)N)N)Cc1ccc(cc1)O)Cc1ccccc1)C(C)C" . "JITASQOSGITBPR-FMCGBTBPSA-N" . "InChI=1S/C46H66N14O11S2/c1-24(2)37-44(70)57-32(20-35(48)62)41(67)58-33(45(71)60-17-7-11-34(60)43(69)54-29(10-6-16-52-46(50)51)39(65)53-21-36(49)63)23-73-72-22-28(47)38(64)55-30(19-26-12-14-27(61)15-13-26)40(66)56-31(42(68)59-37)18-25-8-4-3-5-9-25/h3-5,8-9,12-15,24,28-34,37,61H,6-7,10-11,16-23,47H2,1-2H3,(H2,48,62)(H2,49,63)(H,53,65)(H,54,69)(H,55,64)(H,56,66)(H,57,70)(H,58,67)(H,59,68)(H4,50,51,52)/t28-,29+,30-,31-,32-,33-,34-,37-/m0/s1" . "O=C1CCC(N1)C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1nc[nH]c1" . "O=C1CC[C@H](N1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1nc[nH]c1" . "XNSAINXGIQZQOO-SRVKXCTJSA-N" . "InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1" . "OC(=O)c1ccc2c(c1)nnn2C(C)C" . "OC(=O)c1ccc2c(c1)nnn2C(C)C" . "RUTVRAJKELSHCC-UHFFFAOYSA-N" . "InChI=1S/C10H11N3O2/c1-6(2)13-9-4-3-7(10(14)15)5-8(9)11-12-13/h3-6H,1-2H3,(H,14,15)" . "CCC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)N)CC(C)C)CS)CC(=O)N)C(O)C)NC(=O)C(NC(=O)C(C=S)N)Cc1ccc(cc1)O)C" . "CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)CS)CC(=O)N)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](C=S)N)Cc1ccc(cc1)O)C" . "SJRRTEZQOSELMP-IKNHWLCZSA-N" . "InChI=1S/C39H61N11O12S2/c1-6-19(4)31(49-37(60)25(46-33(56)23(40)16-63)12-21-7-9-22(52)10-8-21)38(61)50-32(20(5)51)39(62)47-26(13-28(41)53)36(59)48-27(17-64)35(58)44-15-30(55)45-24(11-18(2)3)34(57)43-14-29(42)54/h7-10,16,18-20,23-27,31-32,51-52,64H,6,11-15,17,40H2,1-5H3,(H2,41,53)(H2,42,54)(H,43,57)(H,44,58)(H,45,55)(H,46,56)(H,47,62)(H,48,59)(H,49,60)(H,50,61)/t19-,20+,23-,24-,25-,26-,27-,31-,32-/m0/s1" . "CC(CC(C(=O)NCC(=O)N)NC(=O)C1CCCN1C(=O)C1CSSCC(N)C(=O)NC(Cc2ccc(cc2)O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)N)CCC(=O)N)Cc1ccccc1)C" . "CC(C[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)CCC(=O)N)Cc1ccccc1)C" . "WTHKESHUHBGMGM-DZCXQCEKSA-N" . "InChI=1S/C46H64N12O12S2/c1-24(2)17-30(40(64)51-21-38(50)62)56-45(69)35-9-6-16-58(35)46(70)34-23-72-71-22-28(47)39(63)53-31(19-26-10-12-27(59)13-11-26)43(67)54-32(18-25-7-4-3-5-8-25)42(66)52-29(14-15-36(48)60)41(65)55-33(20-37(49)61)44(68)57-34/h3-5,7-8,10-13,24,28-35,59H,6,9,14-23,47H2,1-2H3,(H2,48,60)(H2,49,61)(H2,50,62)(H,51,64)(H,52,66)(H,53,63)(H,54,67)(H,55,65)(H,56,69)(H,57,68)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1" . "CCC(C1NC(=O)C(Cc2ccc(cc2)O)NC(=O)C(N)CSSCC(NC(=O)C(NC(=O)C(NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CC(C)C)C" . "CC[C@@H]([C@@H]1NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)C" . "XNOPRXBHLZRZKH-DSZYJQQASA-N" . "InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1" . "SCC(C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CCCN=C(N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CS)N)Cc1ccc(cc1)O)Cc1ccccc1)CCC(=O)N)CC(=O)N " . "NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O" . "MIFHTMACYGHZKT-LGYYRGKSSA-N" . "InChI=1S/C46H67N15O12S2/c47-27(22-74)38(66)57-30(19-25-10-12-26(62)13-11-25)42(70)58-31(18-24-6-2-1-3-7-24)41(69)55-29(14-15-35(48)63)40(68)59-32(20-36(49)64)43(71)60-33(23-75)45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65/h1-3,6-7,10-13,27-34,62,74-75H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1" . "CCC(C1NC(=O)C(Cc2ccc(cc2)O)NC(=O)C(N)CSSCC(NC(=O)C(NC(=O)C(NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CC(C)C)C" . "CC[C@@H]([C@@H]1NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)C" . "XNOPRXBHLZRZKH-DSZYJQQASA-N" . "InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1" . "CC(NC(=O)CC1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C" . "CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C" . "INGXCNVWWKKWOO-LJQANCHMSA-N" . "InChI=1S/C26H32ClN3O2/c1-18(2)28-25(31)16-19-8-7-15-30(24-10-4-3-9-21(19)24)26(32)22-12-11-20(17-23(22)27)29-13-5-6-14-29/h3-4,9-12,17-19H,5-8,13-16H2,1-2H3,(H,28,31)/t19-/m1/s1" . "NCCc1ccc(cc1)O" . "NCCc1ccc(cc1)O" . "DZGWFCGJZKJUFP-UHFFFAOYSA-N" . "InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2" . "NCCCCC(C(=O)NCC(=O)N)NC(=O)C1CCCN1C(=O)C1CSSCC(N)C(=O)NC(Cc2ccc(cc2)O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)N)CCC(=O)N)Cc1ccccc1" . "NCCCC[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)CCC(=O)N)Cc1ccccc1" . "BJFIDCADFRDPIO-DZCXQCEKSA-N" . "InChI=1S/C46H65N13O12S2/c47-17-5-4-9-29(40(65)52-22-38(51)63)54-45(70)35-10-6-18-59(35)46(71)34-24-73-72-23-28(48)39(64)55-31(20-26-11-13-27(60)14-12-26)43(68)56-32(19-25-7-2-1-3-8-25)42(67)53-30(15-16-36(49)61)41(66)57-33(21-37(50)62)44(69)58-34/h1-3,7-8,11-14,28-35,60H,4-6,9-10,15-24,47-48H2,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,67)(H,54,70)(H,55,64)(H,56,68)(H,57,66)(H,58,69)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1" . "CCC(C1NC(=O)C(Cc2ccc(cc2)O)NC(=O)C(N)CSSCC(NC(=O)C(NC(=O)C(NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CCCN=C(N)N)C" . "CC[C@@H](C1NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCCC1C(=O)N[C@H](C(=O)NCC(=O)N)CCCN=C(N)N)C" . "OXDZADMCOWPSOC-ICBIOJHSSA-N" . "InChI=1S/C43H67N15O12S2/c1-3-21(2)34-41(69)53-26(12-13-31(45)60)37(65)55-28(17-32(46)61)38(66)56-29(20-72-71-19-24(44)35(63)54-27(39(67)57-34)16-22-8-10-23(59)11-9-22)42(70)58-15-5-7-30(58)40(68)52-25(6-4-14-50-43(48)49)36(64)51-18-33(47)62/h8-11,21,24-30,34,59H,3-7,12-20,44H2,1-2H3,(H2,45,60)(H2,46,61)(H2,47,62)(H,51,64)(H,52,68)(H,53,69)(H,54,63)(H,55,65)(H,56,66)(H,57,67)(H4,48,49,50)/t21-,24-,25-,26-,27-,28-,29-,30?,34?/m0/s1" . "NC(=O)CC1NC(=O)C(CCC(=O)N)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(cc2)O)NC(=O)C(CSSCC(NC1=O)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CCCN=C(N)N)N" . "NC(=O)C[C@@H]1NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CCCN=C(N)N)N" . "KBZOIRJILGZLEJ-LGYYRGKSSA-N" . "InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1" . "COc1cc(c(cc1OC)Br)S(=O)(=O)Nc1ccc(c(c1)OC1CCN(C1)C)C(F)(F)F" . "COc1cc(c(cc1OC)Br)S(=O)(=O)Nc1ccc(c(c1)O[C@@H]1CCN(C1)C)C(F)(F)F" . "BPOWQJYAMDEAFF-CYBMUJFWSA-N" . "InChI=1S/C20H22BrF3N2O5S/c1-26-7-6-13(11-26)31-16-8-12(4-5-14(16)20(22,23)24)25-32(27,28)19-10-18(30-3)17(29-2)9-15(19)21/h4-5,8-10,13,25H,6-7,11H2,1-3H3/t13-/m1/s1" . "CN(CCCOc1ccc(cc1)CN1CCC(C1)NC(=O)c1ccc(c(c1)Cl)Cl)C" . "CN(CCCOc1ccc(cc1)CN1CC[C@@H](C1)NC(=O)c1ccc(c(c1)Cl)Cl)C" . "AMSSIFVGNFEEFU-IBGZPJMESA-N" . "InChI=1S/C23H29Cl2N3O2/c1-27(2)11-3-13-30-20-7-4-17(5-8-20)15-28-12-10-19(16-28)26-23(29)18-6-9-21(24)22(25)14-18/h4-9,14,19H,3,10-13,15-16H2,1-2H3,(H,26,29)/t19-/m0/s1" . "NC(=N)c1cccc(c1)Cn1c(cc2c1cccc2C)C(=O)NCc1cccc2c1cccc2" . "NC(=N)c1cccc(c1)Cn1c(cc2c1cccc2C)C(=O)NCc1cccc2c1cccc2" . "IDKGPACCMPKKQB-UHFFFAOYSA-N" . "InChI=1S/C29H26N4O/c1-19-7-4-14-26-25(19)16-27(33(26)18-20-8-5-11-22(15-20)28(30)31)29(34)32-17-23-12-6-10-21-9-2-3-13-24(21)23/h2-16H,17-18H2,1H3,(H3,30,31)(H,32,34)" . "NCCCCC1NC(=O)C(NC(=O)C(CC2CCCCC2)NC(=O)C(CSSCC(NC(=O)C(NC1=O)Cc1ccc(cc1)O)C(=O)NC(C(=O)O)C(C)C)NC(=O)C(N)C)Cc1c[nH]c2c1cccc2" . "NCCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)O)C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@@H](N)C)Cc1c[nH]c2c1cccc2" . "BKBNRUZZGBUWOM-KOOAXUMWSA-N" . "InChI=1S/C49H70N10O10S2/c1-27(2)41(49(68)69)59-48(67)40-26-71-70-25-39(57-42(61)28(3)51)47(66)55-36(21-29-11-5-4-6-12-29)44(63)56-38(23-31-24-52-34-14-8-7-13-33(31)34)46(65)53-35(15-9-10-20-50)43(62)54-37(45(64)58-40)22-30-16-18-32(60)19-17-30/h7-8,13-14,16-19,24,27-29,35-41,52,60H,4-6,9-12,15,20-23,25-26,50-51H2,1-3H3,(H,53,65)(H,54,62)(H,55,66)(H,56,63)(H,57,61)(H,58,64)(H,59,67)(H,68,69)/t28-,35-,36-,37-,38-,39-,40-,41-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C(C)C)CS)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)O)N)CS)Cc1ccccc1 " . "CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(=O)O)C(=O)O" . "OQZDXQFQHJIOEY-LOWSNRHLSA-N" . "InChI=1S/C50H66N10O12S2/c1-27(2)42(50(71)72)60-49(70)40(26-74)59-46(67)37(21-29-15-17-31(61)18-16-29)55-44(65)35(14-8-9-19-51)54-47(68)38(22-30-24-53-34-13-7-6-12-32(30)34)57-45(66)36(20-28-10-4-3-5-11-28)56-48(69)39(25-73)58-43(64)33(52)23-41(62)63/h3-7,10-13,15-18,24,27,33,35-40,42,53,61,73-74H,8-9,14,19-23,25-26,51-52H2,1-2H3,(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,64)(H,59,67)(H,60,70)(H,62,63)(H,71,72)/t33-,35-,36-,37-,38-,39-,40-,42-/m0/s1" . "CC(Cc1ccccc1)N" . "C[C@@H](Cc1ccccc1)N" . "KWTSXDURSIMDCE-QMMMGPOBSA-N" . "InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1" . "CN1C(=O)CC(NC1=O)C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1[nH]cnc1" . "CN1C(=O)C[C@H](NC1=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1[nH]cnc1" . "LQZAIAZUDWIVPM-SRVKXCTJSA-N" . "InChI=1S/C17H23N7O5/c1-23-13(25)6-10(22-17(23)29)15(27)21-11(5-9-7-19-8-20-9)16(28)24-4-2-3-12(24)14(18)26/h7-8,10-12H,2-6H2,1H3,(H2,18,26)(H,19,20)(H,21,27)(H,22,29)/t10-,11-,12-/m0/s1" . "O=C(N1CCCC1C(=O)N)C(NC(=O)C1CCC(=O)N1C)Cc1[nH]cnc1" . "O=C(N1CCC[C@H]1C(=O)N)[C@@H](NC(=O)[C@@H]1CCC(=O)N1C)Cc1[nH]cnc1" . "DJLHRAHTTSWYAW-AVGNSLFASA-N" . "InChI=1S/C17H24N6O4/c1-22-13(4-5-14(22)24)16(26)21-11(7-10-8-19-9-20-10)17(27)23-6-2-3-12(23)15(18)25/h8-9,11-13H,2-7H2,1H3,(H2,18,25)(H,19,20)(H,21,26)/t11-,12-,13-/m0/s1" . "O=C(N1CCCC1C(=O)N)C(NC(=O)C1CCC(=O)N1C)Cc1[nH]cnc1" . "O=C(N1CCC[C@H]1C(=O)N)[C@@H](NC(=O)[C@@H]1CCC(=O)N1C)Cc1[nH]cnc1" . "DJLHRAHTTSWYAW-AVGNSLFASA-N" . "InChI=1S/C17H24N6O4/c1-22-13(4-5-14(22)24)16(26)21-11(7-10-8-19-9-20-10)17(27)23-6-2-3-12(23)15(18)25/h8-9,11-13H,2-7H2,1H3,(H2,18,25)(H,19,20)(H,21,26)/t11-,12-,13-/m0/s1" . "CN(C(=O)NC1(CCN(CC1)CCCC1(CCCN(C1)C(=O)c1ccccc1)c1ccc(c(c1)Cl)Cl)c1ccccc1)C" . "CN(C(=O)NC1(CCN(CC1)CCC[C@@]1(CCCN(C1)C(=O)c1ccccc1)c1ccc(c(c1)Cl)Cl)c1ccccc1)C" . "XWPBINGFFFZAOZ-UMSFTDKQSA-N" . "InChI=1S/C35H42Cl2N4O2/c1-39(2)33(43)38-35(28-13-7-4-8-14-28)19-23-40(24-20-35)21-9-17-34(29-15-16-30(36)31(37)25-29)18-10-22-41(26-34)32(42)27-11-5-3-6-12-27/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3,(H,38,43)/t34-/m0/s1" . "CCC(c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1" . "CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1" . "BIAVGWDGIJKWRM-FQEVSTJZSA-N" . "InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1" . "CCC(c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1" . "CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1" . "MQNYRKWJSMQECI-QFIPXVFZSA-N" . "InChI=1S/C26H24N2O/c1-3-22(19-12-6-4-7-13-19)28-26(29)24-18(2)25(20-14-8-5-9-15-20)27-23-17-11-10-16-21(23)24/h4-17,22H,3H2,1-2H3,(H,28,29)/t22-/m0/s1" . "COC(=O)N(c1ccccc1)NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c1cccc2F)c1ccccc1" . "COC(=O)N(c1ccccc1)NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c1cccc2F)c1ccccc1" . "KQNYTTDHCMFOME-UHFFFAOYSA-N" . "InChI=1S/C33H36FN5O3/c1-33(2,3)38-20-18-37(19-21-38)22-26-28(31(40)36-39(32(41)42-4)24-14-9-6-10-15-24)25-16-11-17-27(34)30(25)35-29(26)23-12-7-5-8-13-23/h5-17H,18-22H2,1-4H3,(H,36,40)" . "COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1" . "COC(=O)N(c1ccccc1)NC(=O)c1c(OC)c(nc2c1cccc2)c1ccccc1" . "JLSTVOPSMZBZSR-UHFFFAOYSA-N" . "InChI=1S/C25H21N3O4/c1-31-23-21(24(29)27-28(25(30)32-2)18-13-7-4-8-14-18)19-15-9-10-16-20(19)26-22(23)17-11-5-3-6-12-17/h3-16H,1-2H3,(H,27,29)" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCC2C1C(=O)N(C2)C(C(=O)NC(COCc1ccccc1)COCc1ccccc1)CC(C)C)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)CC(=O)O)Cc1[nH]cnc1)NC(=O)C(CC(=O)O)N" . "CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CC[C@H]2[C@@H]1C(=O)N(C2)[C@@H](C(=O)NC(COCc1ccccc1)COCc1ccccc1)CC(C)C)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)CC(=O)O)Cc1[nH]cnc1)NC(=O)[C@H](CC(=O)O)N" . "SHZVIDXXKGEHEF-QEPUNBJPSA-N" . "InChI=1S/C75H92N12O15S/c1-47(2)33-63(73(98)79-55(44-101-42-51-25-15-7-16-26-51)45-102-43-52-27-17-8-18-28-52)87-41-53-29-31-86(66(53)75(87)100)74(99)62(36-50-23-13-6-14-24-50)85-70(95)59(35-49-21-11-5-12-22-49)81-69(94)58(34-48-19-9-4-10-20-48)82-72(97)61(39-65(90)91)84-71(96)60(37-54-40-77-46-78-54)83-68(93)57(30-32-103-3)80-67(92)56(76)38-64(88)89/h4-28,40,46-47,53,55-63,66H,29-39,41-45,76H2,1-3H3,(H,77,78)(H,79,98)(H,80,92)(H,81,94)(H,82,97)(H,83,93)(H,84,96)(H,85,95)(H,88,89)(H,90,91)/t53-,56+,57+,58+,59+,60+,61+,62+,63-,66-/m1/s1" . "CSCCC(C(=O)N)NC(=O)C(NC(=O)CNC(=O)C(N(C(=O)C(NC(=O)C(NC(=O)CCC(=O)O)CC(=O)O)Cc1ccccc1)C)Cc1ccccc1)CC(C)C" . "CSCC[C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC(=O)O)CC(=O)O)Cc1ccccc1)C)Cc1ccccc1)CC(C)C" . "HMHYXLVEFVGOPM-QKUYTOGTSA-N" . "InChI=1S/C40H55N7O11S/c1-24(2)19-28(37(55)45-27(36(41)54)17-18-59-4)44-33(49)23-42-39(57)31(21-26-13-9-6-10-14-26)47(3)40(58)30(20-25-11-7-5-8-12-25)46-38(56)29(22-35(52)53)43-32(48)15-16-34(50)51/h5-14,24,27-31H,15-23H2,1-4H3,(H2,41,54)(H,42,57)(H,43,48)(H,44,49)(H,45,55)(H,46,56)(H,50,51)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1" . "CC(=O)NC1(CCN(CC1)CCC(c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1" . "CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1" . "PGKXDIMONUAMFR-AREMUKBSSA-N" . "InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1" . "NC(=O)NCCCCCCCNC(=O)C(Cc1ccccc1)(NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C" . "NC(=O)NCCCCCCCNC(=O)[C@@](Cc1ccccc1)(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C" . "BYVRLIUFCGUMSP-XYFQYJLHSA-N" . "InChI=1S/C32H47N5O5/c1-31(2,3)42-30(41)36-26(22-24-16-10-8-11-17-24)27(38)37-32(4,23-25-18-12-9-13-19-25)28(39)34-20-14-6-5-7-15-21-35-29(33)40/h8-13,16-19,26H,5-7,14-15,20-23H2,1-4H3,(H,34,39)(H,36,41)(H,37,38)(H3,33,35,40)/t26-,32+/m0/s1" . "N#Cc1cc2ccccc2c(c1)C(=O)N(CC(c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)c1ccccc1S(=O)C)C" . "N#Cc1cc2ccccc2c(c1)C(=O)N(C[C@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)c1ccccc1[S@@](=O)C)C" . "SJHZTGDJTIZMSK-KPRDSAADSA-N" . "InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43+/m1/s1" . "[O-][n+]1cc(ncc1C)C(=O)O" . "[O-][n+]1cc(ncc1C)C(=O)O" . "DJQOOSBJCLSSEY-UHFFFAOYSA-N" . "InChI=1S/C6H6N2O3/c1-4-2-7-5(6(9)10)3-8(4)11/h2-3H,1H3,(H,9,10)" . "OCC1OC(NC(=O)CC(C(=O)NC2CC(=O)NCC(NC(=O)C(NC(=O)C(NC2=O)Cc2c[nH]c3c2cccc3)Cc2ccccc2)C(=O)NC(C(=O)O)CC(C)C)N)C(C(C1O)O)NC(=O)C" . "OC[C@H]1O[C@@H](NC(=O)C[C@@H](C(=O)N[C@H]2CC(=O)NC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)Cc2c[nH]c3c2cccc3)Cc2ccccc2)C(=O)N[C@H](C(=O)O)CC(C)C)N)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C" . "NPSVXOVMLVOMDD-SXRVEDALSA-N" . "InChI=1S/C45H60N10O14/c1-21(2)13-31(45(67)68)53-43(66)32-19-48-34(58)17-30(50-39(62)26(46)16-35(59)55-44-36(49-22(3)57)38(61)37(60)33(20-56)69-44)42(65)52-29(15-24-18-47-27-12-8-7-11-25(24)27)41(64)51-28(40(63)54-32)14-23-9-5-4-6-10-23/h4-12,18,21,26,28-33,36-38,44,47,56,60-61H,13-17,19-20,46H2,1-3H3,(H,48,58)(H,49,57)(H,50,62)(H,51,64)(H,52,65)(H,53,66)(H,54,63)(H,55,59)(H,67,68)/t26-,28-,29-,30-,31-,32-,33+,36+,37+,38+,44+/m0/s1" . "CC(Oc1cccc(c1)CC(=O)N1CCCC(C1)(CC[N+]1(C)CCC(CC1)c1ccccc1)c1ccc(c(c1)Cl)Cl)C" . "CC(Oc1cccc(c1)CC(=O)N1CCCC(C1)(CC[N+]1(C)CCC(CC1)c1ccccc1)c1ccc(c(c1)Cl)Cl)C" . "QRSSYNAUQYYMPH-UHFFFAOYSA-N" . "InChI=1S/C36H45Cl2N2O2/c1-27(2)42-32-12-7-9-28(23-32)24-35(41)39-19-8-17-36(26-39,31-13-14-33(37)34(38)25-31)18-22-40(3)20-15-30(16-21-40)29-10-5-4-6-11-29/h4-7,9-14,23,25,27,30H,8,15-22,24,26H2,1-3H3/q+1" . "O=C1Cc2ccccc2C2(N1)CCN(CC2)CCC(c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccc(cc1)F)C" . "O=C1Cc2ccccc2C2(N1)CCN(CC2)CCC(c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccc(cc1)F)C" . "MIXOPBNZLJBQJH-UHFFFAOYSA-N" . "InChI=1S/C31H32Cl2FN3O2/c1-36(30(39)21-6-9-25(34)10-7-21)20-24(22-8-11-27(32)28(33)18-22)12-15-37-16-13-31(14-17-37)26-5-3-2-4-23(26)19-29(38)35-31/h2-11,18,24H,12-17,19-20H2,1H3,(H,35,38)" . "COc1cc(cc(c1OC)OC)C(=O)N(CC(c1ccc(c(c1)Cl)Cl)CCN1CCC2(CC1)NC(=O)Cc1c2cccc1)C" . "COc1cc(cc(c1OC)OC)C(=O)N(CC(c1ccc(c(c1)Cl)Cl)CCN1CCC2(CC1)NC(=O)Cc1c2cccc1)C" . "RMRHFQVHSFCBEO-UHFFFAOYSA-N" . "InChI=1S/C34H39Cl2N3O5/c1-38(33(41)25-18-29(42-2)32(44-4)30(19-25)43-3)21-24(22-9-10-27(35)28(36)17-22)11-14-39-15-12-34(13-16-39)26-8-6-5-7-23(26)20-31(40)37-34/h5-10,17-19,24H,11-16,20-21H2,1-4H3,(H,37,40)" . "CC(CC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N)Cc1ccccc1)Cc1c[nH]c2c1cccc2)CCC(=O)N)CC(=O)O)NC(=O)C)C" . "CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N)Cc1ccccc1)Cc1c[nH]c2c1cccc2)CCC(=O)N)CC(=O)O)NC(=O)C)C" . "VTQMNICJVWMKEV-QKUYTOGTSA-N" . "InChI=1S/C39H51N9O10/c1-21(2)15-28(44-22(3)49)37(56)48-31(18-34(52)53)39(58)45-27(13-14-32(40)50)36(55)47-30(17-24-19-42-26-12-8-7-11-25(24)26)38(57)46-29(35(54)43-20-33(41)51)16-23-9-5-4-6-10-23/h4-12,19,21,27-31,42H,13-18,20H2,1-3H3,(H2,40,50)(H2,41,51)(H,43,54)(H,44,49)(H,45,58)(H,46,57)(H,47,55)(H,48,56)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1" . "O=C(C(NC(=O)C1(CCCC1)NC(=O)c1cc2c(s1)cc(cc2)C)Cc1ccccc1)NCC1CCN(CC1)CC1CCOCC1" . "O=C([C@H](NC(=O)C1(CCCC1)NC(=O)c1cc2c(s1)cc(cc2)C)Cc1ccccc1)NCC1CCN(CC1)CC1CCOCC1" . "YQYSVMKCMIUCHY-WJOKGBTCSA-N" . "InChI=1S/C37H48N4O4S/c1-26-9-10-30-23-33(46-32(30)21-26)35(43)40-37(15-5-6-16-37)36(44)39-31(22-27-7-3-2-4-8-27)34(42)38-24-28-11-17-41(18-12-28)25-29-13-19-45-20-14-29/h2-4,7-10,21,23,28-29,31H,5-6,11-20,22,24-25H2,1H3,(H,38,42)(H,39,44)(H,40,43)/t31-/m1/s1" . "NCCCCC(C(=O)N)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(C(C)C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(CC(=O)O)N)Cc1ccc(cc1)O" . "NCCCC[C@@H](C(=O)N)NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)Cc1ccc(cc1)O" . "QQHOFZNACVKNHK-SXVLBCBNSA-N" . "InChI=1S/C57H68N12O10/c1-31(2)50(69-56(78)48(26-35-30-63-43-16-8-5-13-39(35)43)67-53(75)45(23-32-18-20-36(70)21-19-32)65-52(74)40(59)27-49(71)72)57(79)68-47(25-34-29-62-42-15-7-4-12-38(34)42)55(77)66-46(24-33-28-61-41-14-6-3-11-37(33)41)54(76)64-44(51(60)73)17-9-10-22-58/h3-8,11-16,18-21,28-31,40,44-48,50,61-63,70H,9-10,17,22-27,58-59H2,1-2H3,(H2,60,73)(H,64,76)(H,65,74)(H,66,77)(H,67,75)(H,68,79)(H,69,78)(H,71,72)/t40-,44-,45-,46+,47+,48+,50-/m0/s1" . "COC1(CCN(CC1)CCc1c[nH]c2c1cc(F)cc2)CS(=O)c1ccccc1" . "COC1(CCN(CC1)CCc1c[nH]c2c1cc(F)cc2)C[S@@](=O)c1ccccc1" . "BANYJBHWTOJQDU-GDLZYMKVSA-N" . "InChI=1S/C23H27FN2O2S/c1-28-23(17-29(27)20-5-3-2-4-6-20)10-13-26(14-11-23)12-9-18-16-25-22-8-7-19(24)15-21(18)22/h2-8,15-16,25H,9-14,17H2,1H3/t29-/m1/s1" . "OC1CC(N(C1)C(=O)c1cn(c2c1cccc2)C)C(=O)NC(C(=O)N(Cc1ccccc1)C)Cc1ccc2c(c1)cccc2" . "O[C@@H]1C[C@H](N(C1)C(=O)c1cn(c2c1cccc2)C)C(=O)N[C@H](C(=O)N(Cc1ccccc1)C)Cc1ccc2c(c1)cccc2" . "BFNKQTIJVFGCKQ-PDJGWCFMSA-N" . "InChI=1S/C36H36N4O4/c1-38-23-30(29-14-8-9-15-32(29)38)35(43)40-22-28(41)20-33(40)34(42)37-31(36(44)39(2)21-24-10-4-3-5-11-24)19-25-16-17-26-12-6-7-13-27(26)18-25/h3-18,23,28,31,33,41H,19-22H2,1-2H3,(H,37,42)/t28-,31+,33+/m1/s1" . "O=C(N1CCCC(C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1" . "O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1" . "DZOJBGLFWINFBF-UMSFTDKQSA-N" . "InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1" . "CC(Oc1cccc(c1)CC(=O)N1CCCC(C1)(CC[N+]12CCC(CC1)(CC2)c1ccccc1)c1ccc(c(c1)Cl)Cl)C" . "CC(Oc1cccc(c1)CC(=O)N1CCC[C@](C1)(CC[N+]12CCC(CC1)(CC2)c1ccccc1)c1ccc(c(c1)Cl)Cl)C" . "RPDFDSQFBCJTDY-GAQXSTBRSA-N" . "InChI=1S/C37H45Cl2N2O2/c1-28(2)43-32-11-6-8-29(24-32)25-35(42)40-19-7-14-37(27-40,31-12-13-33(38)34(39)26-31)18-23-41-20-15-36(16-21-41,17-22-41)30-9-4-3-5-10-30/h3-6,8-13,24,26,28H,7,14-23,25,27H2,1-2H3/q+1/t36?,37-,41?/m1/s1" . "CON=C(C(c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)N1CCCC(C1=O)CC(=O)NC)CN(C(=O)c1cc(Cl)cc(c1)Cl)C" . "CO/N=C(/[C@@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)N1CCC[C@@H](C1=O)CC(=O)NC)/CN(C(=O)c1cc(Cl)cc(c1)Cl)C" . "UITMLIVWRRGLLR-SUFYPKAWSA-N" . "InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22-,27-/m1/s1" . "Ic1ccccc1CNC1C2CCN(C1C(c1ccccc1)c1ccccc1)CC2" . "Ic1ccccc1CN[C@@H]1C2CCN([C@@H]1C(c1ccccc1)c1ccccc1)CC2" . "WSLTYZVXORBNLB-KAYWLYCHSA-N" . "InChI=1S/C27H29IN2/c28-24-14-8-7-13-23(24)19-29-26-22-15-17-30(18-16-22)27(26)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,25-27,29H,15-19H2/t26-,27-/m1/s1" . "CCCCCc1ccccc1CCC(=O)NC1C(C)OC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(=Cc2ccc(cc2)O)N(C1=O)C)CC(C)C)Cc1ccccc1)C(O)C" . "CCCCCc1ccccc1CCC(=O)NC1C(C)OC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)/C(=C/c2ccc(cc2)O)/N(C1=O)C)CC(C)C)Cc1ccccc1)C(O)C" . "BEWCDVTWUFJSSM-MBMPTNJISA-N" . "InChI=1S/C54H72N8O13/c1-7-8-10-17-36-18-13-14-19-37(36)22-25-45(67)60-47-33(5)75-54(74)42(30-63)59-49(69)41(29-44(55)66)58-52(72)46(32(4)64)61-50(70)40(27-34-15-11-9-12-16-34)56-48(68)39(26-31(2)3)57-51(71)43(62(6)53(47)73)28-35-20-23-38(65)24-21-35/h9,11-16,18-21,23-24,28,31-33,39-42,46-47,63-65H,7-8,10,17,22,25-27,29-30H2,1-6H3,(H2,55,66)(H,56,68)(H,57,71)(H,58,72)(H,59,69)(H,60,67)(H,61,70)/b43-28-" . "COc1ccccc1CNC1CCCNC1c1ccccc1" . "COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1" . "DTQNEFOKTXXQKV-HKUYNNGSSA-N" . "InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1" . "NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N)CCSC)CC(C)C)Cc1ccccc1)Cc1ccccc1)CCC(=O)N)CCC(=O)N)NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)N" . "NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCSC)CC(C)C)Cc1ccccc1)Cc1ccccc1)CCC(=O)N)CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)N" . "ADNPLDHMAVUMIW-CUZNLEPHSA-N" . "InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N)CCSC)CC(C)C)C(C)C)Cc1ccccc1)CO)CC(=O)O)C(O)C)NC(=O)C(Cc1[nH]cnc1)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCSC)CC(C)C)C(C)C)Cc1ccccc1)CO)CC(=O)O)[C@H](O)C)NC(=O)[C@H](Cc1[nH]cnc1)N" . "HEAUFJZALFKPBA-JPQUDPSNSA-N" . "InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69)/t28-,31+,32+,33+,34+,35+,36+,37+,40+,41+/m1/s1" . "Clc1cccc(c1)NC(=O)c1ccn2c1CSC2c1cccnc1" . "Clc1cccc(c1)NC(=O)c1ccn2c1CSC2c1cccnc1" . "MJGVBIXLFIUPQU-UHFFFAOYSA-N" . "InChI=1S/C18H14ClN3OS/c19-13-4-1-5-14(9-13)21-17(23)15-6-8-22-16(15)11-24-18(22)12-3-2-7-20-10-12/h1-10,18H,11H2,(H,21,23)" . "NCCCCC1NC(=O)C(NC(=O)C(Cc2ccc(cc2)O)NC(=O)C(CSSCC(NC(=O)C(NC1=O)C(C)C)C(=O)NC(C(=O)N)Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1ccccc1)N)Cc1c[nH]c2c1cccc2" . "CC(C)C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)Cc1c[nH]c2ccccc12)Cc1ccc(cc1)O)NC(=O)C(Cc1ccccc1)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N" . "SWXOGPJRIDTIRL-UHFFFAOYSA-N" . "InChI=1S/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)" . "CCCCC(C(=O)N(C(=O)C1CCCN1C(=O)C(Cc1cccnc1)N)C(=O)C1CCCN1C(=O)C(CCCCNC(=O)c1cccnc1)N)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(Cc1ccc(c(c1)Cl)Cl)N)CC(=O)N)Cc1ccccc1)CC(C)C" . "CCCC[C@@H](C(=O)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cccnc1)N)C(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCNC(=O)c1cccnc1)N)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc(c(c1)Cl)Cl)N)CC(=O)N)Cc1ccccc1)CC(C)C" . "AZZJAARMZMEIHY-BBKUSFMUSA-N" . "InChI=1S/C86H104Cl2N18O13/c1-4-5-26-66(84(117)106(86(119)73-30-18-37-105(73)83(116)63(91)41-53-21-15-33-93-46-53)85(118)72-29-17-36-104(72)82(115)61(89)25-13-14-35-95-75(108)54-22-16-34-94-47-54)98-77(110)67(38-50(2)3)100-79(112)69(43-55-48-96-64-27-11-9-23-57(55)64)102-78(111)68(42-51-19-7-6-8-20-51)101-80(113)70(44-56-49-97-65-28-12-10-24-58(56)65)103-81(114)71(45-74(92)107)99-76(109)62(90)40-52-31-32-59(87)60(88)39-52/h6-12,15-16,19-24,27-28,31-34,39,46-50,61-63,66-73,96-97H,4-5,13-14,17-18,25-26,29-30,35-38,40-45,89-91H2,1-3H3,(H2,92,107)(H,95,108)(H,98,110)(H,99,109)(H,100,112)(H,101,113)(H,102,111)(H,103,114)/t61-,62-,63+,66+,67+,68+,69-,70-,71+,72+,73+/m1/s1" . "CSCCC(C(=O)N)NC(=O)C(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C1CCC(=O)N1)CC(C)C" . "CSCC[C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)CC(C)C" . "UUZURPUIMYJOIL-JNRWAQIZSA-N" . "InChI=1S/C39H53N7O7S/c1-24(2)21-29(36(50)42-27(34(40)48)18-20-54-3)44-38(52)32-15-10-19-46(32)39(53)31(23-26-13-8-5-9-14-26)45-37(51)30(22-25-11-6-4-7-12-25)43-35(49)28-16-17-33(47)41-28/h4-9,11-14,24,27-32H,10,15-23H2,1-3H3,(H2,40,48)(H,41,47)(H,42,50)(H,43,49)(H,44,52)(H,45,51)/t27-,28-,29-,30-,31-,32-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N)CCSC)CC(C)C)Cc1ccc(cc1)O)Cc1ccccc1)NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C1CCC(=O)N1)C)CC(=O)O)CC(=O)N" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N)CCSC)CC(C)C)Cc1ccc(cc1)O)Cc1ccccc1)NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C1CCC(=O)N1)C)CC(=O)O)CC(=O)N" . "SHSUJLMLURFKID-UHFFFAOYSA-N" . "InChI=1S/C58H84N14O16S/c1-31(2)25-39(54(84)66-36(49(61)79)21-24-89-4)65-47(76)30-62-51(81)40(27-34-15-17-35(73)18-16-34)68-55(85)41(26-33-11-6-5-7-12-33)69-53(83)37(13-8-9-22-59)67-56(86)42(28-45(60)74)70-57(87)44-14-10-23-72(44)58(88)43(29-48(77)78)71-50(80)32(3)63-52(82)38-19-20-46(75)64-38/h5-7,11-12,15-18,31-32,36-44,73H,8-10,13-14,19-30,59H2,1-4H3,(H2,60,74)(H2,61,79)(H,62,81)(H,63,82)(H,64,75)(H,65,76)(H,66,84)(H,67,86)(H,68,85)(H,69,83)(H,70,87)(H,71,80)(H,77,78)" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CCSC)CC(C)C)C(C)C)Cc1ccccc1)CO)CC(=O)O)C(O)C)CCCCN)Cc1nc[nH]c1)CCCN=C(N)N)NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)CNC(=O)C(Cc1nc[nH]c1)NC(=O)CNC(=O)C(NC(=O)C(CC(=O)O)N)C)CCC(=O)N)CO)Cc1nc[nH]c1 " . "CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)O)C(C)C)[C@@H](C)O" . "PLSDWRYNZIVQKX-BGKYVOMCSA-N" . "InChI=1S/C99H157N33O30S/c1-10-51(6)79(131-87(150)62(24-25-72(103)136)117-73(137)42-111-83(146)66(33-55-38-106-46-113-55)119-74(138)41-110-81(144)52(7)116-82(145)58(102)36-76(140)141)96(159)129-71(45-134)94(157)126-68(35-57-40-108-48-115-57)90(153)121-59(21-14-16-27-100)84(147)120-61(23-18-29-109-99(104)105)85(148)125-67(34-56-39-107-47-114-56)89(152)122-60(22-15-17-28-101)86(149)132-80(53(8)135)97(160)127-69(37-77(142)143)91(154)128-70(44-133)93(156)124-65(32-54-19-12-11-13-20-54)92(155)130-78(50(4)5)95(158)112-43-75(139)118-64(31-49(2)3)88(151)123-63(98(161)162)26-30-163-9/h11-13,19-20,38-40,46-53,58-71,78-80,133-135H,10,14-18,21-37,41-45,100-102H2,1-9H3,(H2,103,136)(H,106,113)(H,107,114)(H,108,115)(H,110,144)(H,111,146)(H,112,158)(H,116,145)(H,117,137)(H,118,139)(H,119,138)(H,120,147)(H,121,153)(H,122,152)(H,123,151)(H,124,156)(H,125,148)(H,126,157)(H,127,160)(H,128,154)(H,129,159)(H,130,155)(H,131,150)(H,132,149)(H,140,141)(H,142,143)(H,161,162)(H4,104,105,109)/t51-,52-,53+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,78-,79-,80-/m0/s1" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N)CCSC)CC(C)C)C(C)C)Cc1ccccc1)Cc1ccccc1)CC(=O)O)Cc1[nH]cnc1)NC(=O)C(CC(=O)O)N" . "CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCSC)CC(C)C)C(C)C)Cc1ccccc1)Cc1ccccc1)CC(=O)O)Cc1[nH]cnc1)NC(=O)[C@H](CC(=O)O)N" . "NHXYSAFTNPANFK-HDMCBQFHSA-N" . "InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1" . "NCCCCC1NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(CSSCC(NC(=O)C(NC1=O)C(O)C)C(=O)NC(C(O)C)CO)NC(=O)C(Cc1ccccc1)N)Cc1c[nH]c2c1cccc2" . "NCCCCC1NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(CSSCC(NC(=O)C(NC1=O)C(O)C)C(=O)NC(C(O)C)CO)NC(=O)C(Cc1ccccc1)N)Cc1c[nH]c2c1cccc2" . "DEQANNDTNATYII-UHFFFAOYSA-N" . "InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N)CCSC)CC(C)C)C(C)C)Cc1ccccc1)CCC(=O)N)CC(=O)O)CO)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(CC(=O)O)N" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N)CCSC)CC(C)C)C(C)C)Cc1ccccc1)CCC(=O)N)CC(=O)O)CO)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(CC(=O)O)N" . "NXTPETCPVNEEOP-UHFFFAOYSA-N" . "InChI=1S/C59H95N15O18S/c1-30(2)24-38(53(86)66-35(49(63)82)20-23-93-7)65-44(77)28-64-58(91)47(31(3)4)72-55(88)39(25-33-14-9-8-10-15-33)69-52(85)37(18-19-43(62)76)67-54(87)40(27-46(80)81)70-56(89)41(29-75)71-51(84)36(16-11-12-21-60)68-57(90)42-17-13-22-74(42)59(92)48(32(5)6)73-50(83)34(61)26-45(78)79/h8-10,14-15,30-32,34-42,47-48,75H,11-13,16-29,60-61H2,1-7H3,(H2,62,76)(H2,63,82)(H,64,91)(H,65,77)(H,66,86)(H,67,87)(H,68,90)(H,69,85)(H,70,89)(H,71,84)(H,72,88)(H,73,83)(H,78,79)(H,80,81)" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N)CCSC)CC(C)C)C(CC)C)Cc1ccccc1)C)CC(=O)O)NC(=O)C(NC(=O)C1CCCN1C(=O)C1CCC(=O)N1)CO" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCSC)CC(C)C)[C@H](CC)C)Cc1ccccc1)C)CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)CO" . "AYLPVIWBPZMVSH-FCKMLYJASA-N" . "InChI=1S/C54H85N13O15S/c1-7-30(4)44(53(81)57-27-42(70)60-36(24-29(2)3)49(77)61-33(45(56)73)20-23-83-6)66-50(78)37(25-32-14-9-8-10-15-32)63-46(74)31(5)58-48(76)38(26-43(71)72)64-47(75)34(16-11-12-21-55)62-51(79)39(28-68)65-52(80)40-17-13-22-67(40)54(82)35-18-19-41(69)59-35/h8-10,14-15,29-31,33-40,44,68H,7,11-13,16-28,55H2,1-6H3,(H2,56,73)(H,57,81)(H,58,76)(H,59,69)(H,60,70)(H,61,77)(H,62,79)(H,63,74)(H,64,75)(H,65,80)(H,66,78)(H,71,72)/t30-,31-,33-,34-,35-,36-,37-,38-,39-,40-,44-/m0/s1" . "NCCCCC1NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C(N)CSSCC(NC(=O)C(NC(=O)C(NC1=O)C(O)C)Cc1ccccc1)C(=O)N)Cc1c[nH]c2c1cccc2" . "NCCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@H](O)C)Cc1ccccc1)C(=O)N)Cc1c[nH]c2c1cccc2" . "JNMPZUZCPFIJGJ-OCZUONHDSA-N" . "InChI=1S/C54H67N11O9S2/c1-32(66)46-54(74)63-43(27-35-19-9-4-10-20-35)52(72)64-45(47(57)67)31-76-75-30-38(56)48(68)60-41(25-33-15-5-2-6-16-33)50(70)61-42(26-34-17-7-3-8-18-34)51(71)62-44(28-36-29-58-39-22-12-11-21-37(36)39)53(73)59-40(49(69)65-46)23-13-14-24-55/h2-12,15-22,29,32,38,40-46,58,66H,13-14,23-28,30-31,55-56H2,1H3,(H2,57,67)(H,59,73)(H,60,68)(H,61,70)(H,62,71)(H,63,74)(H,64,72)(H,65,69)/t32-,38+,40+,41+,42+,43+,44-,45+,46+/m1/s1" . "COC(=O)C(NC(=O)CCCc1c([nH]c2c1cc(F)cc2F)c1ccccc1)CCCN=C(N)N" . "COC(=O)[C@@H](NC(=O)CCCc1c([nH]c2c1cc(F)cc2F)c1ccccc1)CCCN=C(N)N" . "OPNMQSFIGUSHDH-FQEVSTJZSA-N" . "InChI=1S/C25H29F2N5O3/c1-35-24(34)20(10-6-12-30-25(28)29)31-21(33)11-5-9-17-18-13-16(26)14-19(27)23(18)32-22(17)15-7-3-2-4-8-15/h2-4,7-8,13-14,20,32H,5-6,9-12H2,1H3,(H,31,33)(H4,28,29,30)/t20-/m0/s1" . "NCCCCC(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CC(Cc1cccc(c1)O)NC(=O)C)CC(=O)NC1CC(=O)OC1C" . "NCCCC[C@H](NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C[C@H](Cc1cccc(c1)O)NC(=O)C)CC(=O)N[C@@H]1CC(=O)O[C@@H]1C" . "GQYXVIIYXPRQJK-JZYDGZRSSA-N" . "InChI=1S/C35H46N6O7/c1-21-30(19-34(46)48-21)40-32(44)17-25(9-5-6-13-36)39-35(47)31(16-24-20-37-29-12-4-3-11-28(24)29)41-33(45)18-26(38-22(2)42)14-23-8-7-10-27(43)15-23/h3-4,7-8,10-12,15,20-21,25-26,30-31,37,43H,5-6,9,13-14,16-19,36H2,1-2H3,(H,38,42)(H,39,47)(H,40,44)(H,41,45)/t21-,25+,26+,30-,31?/m1/s1" . "COc1ccc(cn1)CC(CN1CC2CCCCC2C(C1)C(=O)N1CCN(CC1)c1ccc(c(c1)F)F)C" . "COc1ccc(cn1)CC(CN1C[C@@H]2CCCC[C@@H]2[C@@H](C1)C(=O)N1CCN(CC1)c1ccc(c(c1)F)F)C" . "RDSAUPRYZCQORM-RIVQXRJNSA-N" . "InChI=1S/C30H40F2N4O2/c1-21(15-22-7-10-29(38-2)33-17-22)18-34-19-23-5-3-4-6-25(23)26(20-34)30(37)36-13-11-35(12-14-36)24-8-9-27(31)28(32)16-24/h7-10,16-17,21,23,25-26H,3-6,11-15,18-20H2,1-2H3/t21?,23-,25-,26+/m0/s1" . "NCCCCC(C(=O)OC)NC(=O)C(NC(=O)NC(C(=O)Nc1ccc(cc1)[N+](=O)[O-])Cc1ccccc1)CCCC" . "NCCCC[C@@H](C(=O)OC)NC(=O)[C@H](NC(=O)N[C@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])Cc1ccccc1)CCCC" . "KEATTYUTWJKTRT-DSITVLBTSA-N" . "InChI=1S/C29H40N6O7/c1-3-4-12-23(26(36)32-24(28(38)42-2)13-8-9-18-30)33-29(39)34-25(19-20-10-6-5-7-11-20)27(37)31-21-14-16-22(17-15-21)35(40)41/h5-7,10-11,14-17,23-25H,3-4,8-9,12-13,18-19,30H2,1-2H3,(H,31,37)(H,32,36)(H2,33,34,39)/t23-,24+,25+/m1/s1" . "CCCCCC1(CCCCC)NC(Cc2c1[nH]c1c2cccc1)c1ncc([nH]1)c1ccccc1" . "CCCCCC1(CCCCC)N[C@H](Cc2c1[nH]c1c2cccc1)c1ncc([nH]1)c1ccccc1" . "DGSMSHNIDMODOQ-AREMUKBSSA-N" . "InChI=1S/C30H38N4/c1-3-5-12-18-30(19-13-6-4-2)28-24(23-16-10-11-17-25(23)32-28)20-26(34-30)29-31-21-27(33-29)22-14-8-7-9-15-22/h7-11,14-17,21,26,32,34H,3-6,12-13,18-20H2,1-2H3,(H,31,33)/t26-/m1/s1" . "CCCCC1(CCCC)NC(Cc2c1[nH]c1c2cccc1)c1ncc([nH]1)c1ccccc1" . "CCCCC1(CCCC)N[C@H](Cc2c1[nH]c1c2cccc1)c1ncc([nH]1)c1ccccc1" . "FOBFICSYUINKAA-XMMPIXPASA-N" . "InChI=1S/C28H34N4/c1-3-5-16-28(17-6-4-2)26-22(21-14-10-11-15-23(21)30-26)18-24(32-28)27-29-19-25(31-27)20-12-8-7-9-13-20/h7-15,19,24,30,32H,3-6,16-18H2,1-2H3,(H,29,31)/t24-/m1/s1" . "NCCCCC1NC(=O)C(NC(=O)C(Cc2ccc(cc2)O)NC(=O)C(N(C(=O)C(NC(=O)C(NC1=O)C(C)C)Cc1ccccc1)C)C)Cc1c[nH]c2c1cccc2" . "NCCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)Cc1ccccc1)C)C)Cc1c[nH]c2c1cccc2" . "NPJIOCBFOAHEDO-AVWFULIKSA-N" . "InChI=1S/C44H56N8O7/c1-26(2)38-43(58)50-37(23-28-12-6-5-7-13-28)44(59)52(4)27(3)39(54)48-35(22-29-17-19-31(53)20-18-29)41(56)49-36(24-30-25-46-33-15-9-8-14-32(30)33)42(57)47-34(40(55)51-38)16-10-11-21-45/h5-9,12-15,17-20,25-27,34-38,46,53H,10-11,16,21-24,45H2,1-4H3,(H,47,57)(H,48,54)(H,49,56)(H,50,58)(H,51,55)/t27-,34-,35-,36+,37-,38-/m0/s1" . "NCC1CCCC(C1)CNC(=O)C(C(c1c[nH]c2c1cccc2)C)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2" . "NC[C@@H]1CCC[C@H](C1)CNC(=O)[C@@H]([C@H](c1c[nH]c2c1cccc2)C)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2" . "DDVPVAOEMZRZQU-JONNCTARSA-N" . "InChI=1S/C33H43N7O3/c1-21(26-20-35-27-10-3-2-9-25(26)27)30(31(41)36-19-23-8-6-7-22(17-23)18-34)38-32(42)39-15-13-24(14-16-39)40-29-12-5-4-11-28(29)37-33(40)43/h2-5,9-12,20-24,30,35H,6-8,13-19,34H2,1H3,(H,36,41)(H,37,43)(H,38,42)/t21-,22+,23+,30+/m0/s1" . "NCCCCC(C(=O)OC(C)(C)C)NC(=O)C(C(c1c[nH]c2c1cccc2)C)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2" . "NCCCC[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@@H]([C@H](c1c[nH]c2c1cccc2)C)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2" . "WFCIXKAZBUIFTR-PKIMSIDOSA-N" . "InChI=1S/C35H47N7O5/c1-22(25-21-37-26-12-6-5-11-24(25)26)30(31(43)38-28(14-9-10-18-36)32(44)47-35(2,3)4)40-33(45)41-19-16-23(17-20-41)42-29-15-8-7-13-27(29)39-34(42)46/h5-8,11-13,15,21-23,28,30,37H,9-10,14,16-20,36H2,1-4H3,(H,38,43)(H,39,46)(H,40,45)/t22-,28-,30+/m0/s1" . "NCCCCC1NC(=O)C(NC(=O)C(Cc2ccc(cc2)O)NC(=O)C(CSSCC(NC(=O)C(NC1=O)C(C)C)C(=O)NC(C(=O)N)C(O)C)NC(=O)C(Cc1ccc2c(c1)cccc2)N)Cc1c[nH]c2c1cccc2" . "NCCCCC1NC(=O)C(NC(=O)C(Cc2ccc(cc2)O)NC(=O)C(CSSCC(NC(=O)C(NC1=O)C(C)C)C(=O)NC(C(=O)N)C(O)C)NC(=O)C(Cc1ccc2c(c1)cccc2)N)Cc1c[nH]c2c1cccc2" . "PUDHBTGHUJUUFI-UHFFFAOYSA-N" . "InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)" . "COc1cccc2c1CC1CC(CN(C1C2)C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]" . "COc1cccc2c1C[C@H]1C[C@H](CN([C@@H]1C2)C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]" . "INULNSAIIZKOQE-YOSAUDMPSA-N" . "InChI=1S/C26H32N4O4/c1-27-17-20(14-19-15-23-18(16-24(19)27)4-3-5-25(23)34-2)26(31)29-12-10-28(11-13-29)21-6-8-22(9-7-21)30(32)33/h3-9,19-20,24H,10-17H2,1-2H3/t19-,20-,24-/m1/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NC1CSSCC(NC(=O)C(CO)NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCCCN)CC(=O)N)Cc1ccccc1)Cc1ccccc1)Cc1c[nH]c2c1cccc2)CCCCN)C(O)C)C(O)C)C(=O)O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CO)N)C)CC(=O)N)CO)CC(=O)N)C)CCSC)C)CCCNC(=N)N)CCC(=O)O)CCCNC(=N)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)Cc1ccccc1)Cc1ccccc1)Cc1c[nH]c2c1cccc2)CCCCN)[C@H](O)C)[C@H](O)C)C(=O)O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)C)CC(=O)N)CO)CC(=O)N)C)CCSC)C)CCCNC(=N)N)CCC(=O)O)CCCNC(=N)N" . "GGYTXJNZMFRSLX-DFTNLTQTSA-N" . "InChI=1S/C137H207N41O39S3/c1-69(154-113(194)82(37-19-22-47-138)159-115(196)85(40-25-50-149-136(145)146)160-118(199)87(44-45-106(188)189)163-116(197)86(41-26-51-150-137(147)148)164-130(211)101-43-27-52-177(101)133(214)72(4)156-114(195)88(46-54-218-7)158-110(191)71(3)155-129(210)100-42-28-53-178(100)134(215)95(61-104(144)186)171-126(207)96(65-180)172-124(205)93(59-102(142)184)165-111(192)70(2)153-112(193)80(141)64-179)109(190)152-63-105(187)157-98-67-219-220-68-99(135(216)217)174-127(208)97(66-181)173-132(213)108(74(6)183)176-125(206)91(57-77-33-15-10-16-34-77)170-131(212)107(73(5)182)175-119(200)84(39-21-24-49-140)161-122(203)92(58-78-62-151-81-36-18-17-35-79(78)81)168-121(202)90(56-76-31-13-9-14-32-76)166-120(201)89(55-75-29-11-8-12-30-75)167-123(204)94(60-103(143)185)169-117(198)83(162-128(98)209)38-20-23-48-139/h8-18,29-36,62,69-74,80,82-101,107-108,151,179-183H,19-28,37-61,63-68,138-141H2,1-7H3,(H2,142,184)(H2,143,185)(H2,144,186)(H,152,190)(H,153,193)(H,154,194)(H,155,210)(H,156,195)(H,157,187)(H,158,191)(H,159,196)(H,160,199)(H,161,203)(H,162,209)(H,163,197)(H,164,211)(H,165,192)(H,166,201)(H,167,204)(H,168,202)(H,169,198)(H,170,212)(H,171,207)(H,172,205)(H,173,213)(H,174,208)(H,175,200)(H,176,206)(H,188,189)(H,216,217)(H4,145,146,149)(H4,147,148,150)/t69-,70-,71-,72-,73+,74+,80-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,107-,108-/m0/s1" . "O=C(Nc1ccc(cc1)I)NNCC1C2CCC(C1CC=CCCCC(=O)O)O2" . "O=C(Nc1ccc(cc1)[125I])NNC[C@@H]1[C@H]2CC[C@@H]([C@@H]1C/C=C/CCCC(=O)O)O2" . "AMZRVJWBVXWSAC-BYMOSMHDSA-N" . "InChI=1S/C21H28IN3O4/c22-14-7-9-15(10-8-14)24-21(28)25-23-13-17-16(18-11-12-19(17)29-18)5-3-1-2-4-6-20(26)27/h1,3,7-10,16-19,23H,2,4-6,11-13H2,(H,26,27)(H2,24,25,28)/b3-1-/t16-,17+,18+,19-/m1/s1/i22-2" . "OC(=O)CCCC=CCC1C(CC2CC1C2(C)C)NS(=O)(=O)c1ccc(cc1)I" . "OC(=O)CCC/C=C/C[C@@H]1[C@H](C[C@@H]2C[C@H]1C2(C)C)NS(=O)(=O)c1ccc(cc1)[125I]" . "SZNMERGTFJHNSM-NTVCQXSRSA-N" . "InChI=1S/C22H30INO4S/c1-22(2)15-13-19(22)18(7-5-3-4-6-8-21(25)26)20(14-15)24-29(27,28)17-11-9-16(23)10-12-17/h3,5,9-12,15,18-20,24H,4,6-8,13-14H2,1-2H3,(H,25,26)/b5-3-/t15-,18-,19+,20-/m0/s1/i23-2" . "OC(Cc1ccc(c(c1)I)O)CNC1CC2CC(C1CC=CCCCC(=O)O)C2(C)C" . "OC(Cc1ccc(c(c1)[125I])O)CNC1CC2CC(C1C/C=C/CCCC(=O)O)C2(C)C" . "RCPAWLXQBMAVGJ-WEGMHNBISA-N" . "InChI=1S/C25H36INO4/c1-25(2)17-13-20(25)19(7-5-3-4-6-8-24(30)31)22(14-17)27-15-18(28)11-16-9-10-23(29)21(26)12-16/h3,5,9-10,12,17-20,22,27-29H,4,6-8,11,13-15H2,1-2H3,(H,30,31)/b5-3+/i26-2" . "OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1" . "OC(=O)C1=CC(=O)C(O1)(C)c1ccccc1" . "DFDGRKNOFOJBAJ-UHFFFAOYSA-N" . "InChI=1S/C12H10O4/c1-12(8-5-3-2-4-6-8)10(13)7-9(16-12)11(14)15/h2-7H,1H3,(H,14,15)" . "NCCCCC1NC(=O)C(CSSCC(NC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC(=O)N)Cc1ccccc1)Cc1ccccc1)Cc1c[nH]c2c1cccc2)CCCCN)C(O)C)C(=O)O)NC(=O)CNC(=O)C(N)C" . "NCCCC[C@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(=O)N)Cc1ccccc1)Cc1ccccc1)Cc1c[nH]c2c1cccc2)CCCCN)[C@H](O)C)C(=O)O)NC(=O)CNC(=O)[C@@H](N)C" . "VVEJUSYNERNRME-XGFVQVCISA-N" . "InChI=1S/C63H88N16O16S2/c1-34(66)53(84)69-30-51(83)70-48-32-96-97-33-49(63(94)95)78-60(91)47(31-80)77-62(93)52(35(2)81)79-55(86)42(22-12-14-24-65)71-58(89)45(27-38-29-68-40-20-10-9-19-39(38)40)75-57(88)44(26-37-17-7-4-8-18-37)73-56(87)43(25-36-15-5-3-6-16-36)74-59(90)46(28-50(67)82)76-54(85)41(72-61(48)92)21-11-13-23-64/h3-10,15-20,29,34-35,41-49,52,68,80-81H,11-14,21-28,30-33,64-66H2,1-2H3,(H2,67,82)(H,69,84)(H,70,83)(H,71,89)(H,72,92)(H,73,87)(H,74,90)(H,75,88)(H,76,85)(H,77,93)(H,78,91)(H,79,86)(H,94,95)/t34-,35+,41+,42-,43+,44-,45+,46-,47-,48+,49-,52+/m0/s1" . "NCCCCC1NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C(NC1=O)Cc1ccc(cc1)OCc1ccccc1)Cc1ccccc1)CC(C2)OC(=O)NCCN)c1ccccc1)Cc1c[nH]c2c1cccc2" . "NCCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)OCc1ccccc1)Cc1ccccc1)C[C@@H](C2)OC(=O)NCCN)c1ccccc1)Cc1c[nH]c2c1cccc2" . "VMZMNAABQBOLAK-DBILLSOUSA-N" . "InChI=1S/C58H66N10O9/c59-27-13-12-22-46-52(69)64-47(30-38-23-25-42(26-24-38)76-36-39-16-6-2-7-17-39)53(70)66-49(31-37-14-4-1-5-15-37)57(74)68-35-43(77-58(75)61-29-28-60)33-50(68)55(72)67-51(40-18-8-3-9-19-40)56(73)65-48(54(71)63-46)32-41-34-62-45-21-11-10-20-44(41)45/h1-11,14-21,23-26,34,43,46-51,62H,12-13,22,27-33,35-36,59-60H2,(H,61,75)(H,63,71)(H,64,69)(H,65,73)(H,66,70)(H,67,72)/t43-,46+,47+,48-,49+,50+,51+/m1/s1" . "NCCCCC(C(=O)OCC(N)C)NC(=O)Cc1c([nH]c2c1ccc1c2cccc1)c1ccc2c(c1)cccc2" . "NCCCC[C@@H](C(=O)OC[C@@H](N)C)NC(=O)Cc1c([nH]c2c1ccc1c2cccc1)c1ccc2c(c1)cccc2" . "NFVRGDRCCNEGBS-LGGPFLRQSA-N" . "InChI=1S/C33H36N4O3/c1-21(35)20-40-33(39)29(12-6-7-17-34)36-30(38)19-28-27-16-15-23-9-4-5-11-26(23)32(27)37-31(28)25-14-13-22-8-2-3-10-24(22)18-25/h2-5,8-11,13-16,18,21,29,37H,6-7,12,17,19-20,34-35H2,1H3,(H,36,38)/t21-,29-/m0/s1" . "NCCC(CC(CNC(=O)C(Cc1cccc2c1cccc2)NC(=O)N(CCc1ccccn1)CCc1ccccc1)(C)C)C" . "NCCC(CC(CNC(=O)[C@@H](Cc1cccc2c1cccc2)NC(=O)N(CCc1ccccn1)CCc1ccccc1)(C)C)C" . "MZKKCMXXGCRPGX-LMZJGDDPSA-N" . "InChI=1S/C38H49N5O2/c1-29(19-22-39)27-38(2,3)28-41-36(44)35(26-32-16-11-15-31-14-7-8-18-34(31)32)42-37(45)43(24-20-30-12-5-4-6-13-30)25-21-33-17-9-10-23-40-33/h4-18,23,29,35H,19-22,24-28,39H2,1-3H3,(H,41,44)(H,42,45)/t29?,35-/m1/s1" . "NCCCCC1NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C(CC(=O)N)NC(=O)C(CCCCN)NC(=O)CCCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)C(O)C)Cc1ccc(cc1)O)C(O)C)CO)C(=O)O)Cc1c[nH]c2c1cccc2" . "NCCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)CCCCC[C@H](NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)C(NC1=O)[C@H](O)C)Cc1ccc(cc1)O)[C@H](O)C)CO)C(=O)O)Cc1c[nH]c2c1cccc2" . "HTEPNQQGQXAYEW-YQENAMKYSA-N" . "InChI=1S/C73H99N15O18/c1-41(90)61-71(103)85-55(36-45-28-30-47(92)31-29-45)69(101)88-62(42(2)91)72(104)86-58(40-89)70(102)80-52(73(105)106)26-10-5-11-27-60(94)78-50(24-14-16-32-74)63(95)84-57(38-59(76)93)68(100)82-53(34-43-18-6-3-7-19-43)65(97)81-54(35-44-20-8-4-9-21-44)66(98)83-56(37-46-39-77-49-23-13-12-22-48(46)49)67(99)79-51(64(96)87-61)25-15-17-33-75/h3-4,6-9,12-13,18-23,28-31,39,41-42,50-58,61-62,77,89-92H,5,10-11,14-17,24-27,32-38,40,74-75H2,1-2H3,(H2,76,93)(H,78,94)(H,79,99)(H,80,102)(H,81,97)(H,82,100)(H,83,98)(H,84,95)(H,85,103)(H,86,104)(H,87,96)(H,88,101)(H,105,106)/t41-,42-,50+,51+,52+,53+,54+,55+,56+,57?,58+,61?,62?/m1/s1" . "CCCCCNC(=O)c1coc(n1)C1C2CCC(C1Cc1ccccc1CCC(=O)O)O2" . "CCCCCNC(=O)c1coc(n1)[C@@H]1[C@H]2CC[C@@H]([C@@H]1Cc1ccccc1CCC(=O)O)O2" . "BBPRUNPUJIUXSE-DXKRWKNPSA-N" . "InChI=1S/C25H32N2O5/c1-2-3-6-13-26-24(30)19-15-31-25(27-19)23-18(20-10-11-21(23)32-20)14-17-8-5-4-7-16(17)9-12-22(28)29/h4-5,7-8,15,18,20-21,23H,2-3,6,9-14H2,1H3,(H,26,30)(H,28,29)/t18-,20-,21+,23-/m0/s1" . "OC(=O)Cc1ccc(cc1)CCNS(=O)(=O)c1ccc(cc1)Cl" . "OC(=O)Cc1ccc(cc1)CCNS(=O)(=O)c1ccc(cc1)Cl" . "IULOBWFWYDMECP-UHFFFAOYSA-N" . "InChI=1S/C16H16ClNO4S/c17-14-5-7-15(8-6-14)23(21,22)18-10-9-12-1-3-13(4-2-12)11-16(19)20/h1-8,18H,9-11H2,(H,19,20)" . "O=C(Nc1ccccc1)NNCC1C2CCC(C1CC=CCCCC(=O)O)O2" . "O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C/CCCC(=O)O)O2" . "RJNDVCNWVBWHLY-OQMICVBCSA-N" . "InChI=1S/C21H29N3O4/c25-20(26)11-7-2-1-6-10-16-17(19-13-12-18(16)28-19)14-22-24-21(27)23-15-8-4-3-5-9-15/h1,3-6,8-9,16-19,22H,2,7,10-14H2,(H,25,26)(H2,23,24,27)/b6-1-/t16-,17+,18-,19+/m1/s1" . "OC(=O)CCCC=CCC1C2CCC(C1NS(=O)(=O)c1ccccc1)C2" . "OC(=O)CCC/C=C/C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2" . "PWTCIBWRMQFJBC-ZEMKZVSASA-N" . "InChI=1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16+,18+,20+/m1/s1" . "O=C(Nc1ccccc1)NNCC1C2CCC(C1CC=CCCCC(=O)O)O2" . "O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C/CCCC(=O)O)O2" . "RJNDVCNWVBWHLY-OQMICVBCSA-N" . "InChI=1S/C21H29N3O4/c25-20(26)11-7-2-1-6-10-16-17(19-13-12-18(16)28-19)14-22-24-21(27)23-15-8-4-3-5-9-15/h1,3-6,8-9,16-19,22H,2,7,10-14H2,(H,25,26)(H2,23,24,27)/b6-1-/t16-,17+,18-,19+/m1/s1" . "OC(=O)CCCC=CCC1C2CCC(C1NS(=O)(=O)c1ccccc1)C2" . "OC(=O)CCC/C=C/C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2" . "PWTCIBWRMQFJBC-ZEMKZVSASA-N" . "InChI=1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16+,18+,20+/m1/s1" . "OC(=O)CCCC=CCC1C(NC(=O)C(C2CCCC2)O)CC2CC1C2(C)C" . "OC(=O)CCC/C=C/C[C@@H]1[C@@H](NC(=O)[C@@H](C2CCCC2)O)C[C@H]2C[C@@H]1C2(C)C" . "SXHUZJPIRVLMHY-AZPSIHDESA-N" . "InChI=1S/C23H37NO4/c1-23(2)16-13-18(23)17(11-5-3-4-6-12-20(25)26)19(14-16)24-22(28)21(27)15-9-7-8-10-15/h3,5,15-19,21,27H,4,6-14H2,1-2H3,(H,24,28)(H,25,26)/b5-3-/t16-,17+,18+,19+,21-/m1/s1" . "[O-]C(=O)c1ccc2c(c1)C(=CCn1cnc3c1cc(C)c(c3)C)c1ccccc1CO2" . "[O-]C(=O)c1ccc2c(c1)/C(=C/Cn1cnc3c1cc(C)c(c3)C)/c1ccccc1CO2" . "WZXFXUCKNJCHJG-ZVBGSRNCSA-M" . "InChI=1S/C26H22N2O3/c1-16-11-23-24(12-17(16)2)28(15-27-23)10-9-21-20-6-4-3-5-19(20)14-31-25-8-7-18(26(29)30)13-22(21)25/h3-9,11-13,15H,10,14H2,1-2H3,(H,29,30)/p-1/b21-9+" . "OC(=O)CCC=CCCC1C(OCc2ccc(cc2)c2ccccc2)CC(C1N1CCCCC1)O" . "OC(=O)CC/C=C/CC[C@H]1[C@@H](OCc2ccc(cc2)c2ccccc2)C[C@@H]([C@@H]1N1CCCCC1)O" . "GQGRDYWMOPRROR-XUSMOFMBSA-N" . "InChI=1S/C30H39NO4/c32-27-21-28(35-22-23-15-17-25(18-16-23)24-11-5-3-6-12-24)26(13-7-1-2-8-14-29(33)34)30(27)31-19-9-4-10-20-31/h1-3,5-6,11-12,15-18,26-28,30,32H,4,7-10,13-14,19-22H2,(H,33,34)/b2-1-/t26-,27-,28-,30+/m0/s1" . "CCCCCC(C=CC1C2OCC(C1CC=CCCCC(=O)O)C2)O" . "CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C/CCCC(=O)O)C2)O" . "LQANGKSBLPMBTJ-BRSNVKEHSA-N" . "InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19-,20-/m1/s1" . "OC(=O)CCCC=CCC1C2CCC(C1C=CC(COc1ccc(cc1)I)O)O2" . "OC(=O)CCC/C=C/C[C@H]1[C@@H]2CC[C@H]([C@@H]1/C=C/[C@H](COc1ccc(cc1)[125I])O)O2" . "UYFMSCHBODMWON-ZKBYQGIHSA-N" . "InChI=1S/C23H29IO5/c24-16-7-10-18(11-8-16)28-15-17(25)9-12-20-19(21-13-14-22(20)29-21)5-3-1-2-4-6-23(26)27/h1,3,7-12,17,19-22,25H,2,4-6,13-15H2,(H,26,27)/b3-1+,12-9+/t17-,19-,20-,21+,22-/m1/s1/i24-2" . "CCCCCC(C=CC1C2OOC(C1CC=CCCCC(=O)O)C2)O" . "CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OO[C@H]([C@@H]1C/C=C/CCCC(=O)O)C2)O" . "YIBNHAJFJUQSRA-YNNPMVKQSA-N" . "InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h4,7,12-13,15-19,21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1" . 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"CCCCc1nn(c(=O)n1Cc1ccc(cc1)c1ccccc1S(=O)(=O)NC(=O)c1ccc(s1)C)c1ccccc1C(F)(F)F" . "JYZLVNVGBRFRME-UHFFFAOYSA-N" . "InChI=1S/C32H29F3N4O4S2/c1-3-4-13-29-36-39(26-11-7-6-10-25(26)32(33,34)35)31(41)38(29)20-22-15-17-23(18-16-22)24-9-5-8-12-28(24)45(42,43)37-30(40)27-19-14-21(2)44-27/h5-12,14-19H,3-4,13,20H2,1-2H3,(H,37,40)" . "OC(=O)CCC=CCCC1C(OCc2ccc(cc2)c2ccccc2)CC(=O)C1N1CCOCC1" . "OC(=O)CC/C=C/CCC1C(OCc2ccc(cc2)c2ccccc2)CC(=O)C1N1CCOCC1" . "IOFUFYLETVNNRF-OWOJBTEDSA-N" . "InChI=1S/C29H35NO5/c31-26-20-27(35-21-22-12-14-24(15-13-22)23-8-4-3-5-9-23)25(10-6-1-2-7-11-28(32)33)29(26)30-16-18-34-19-17-30/h1-5,8-9,12-15,25,27,29H,6-7,10-11,16-21H2,(H,32,33)/b2-1+" . "OC(=O)CCC=CCCC1C(OCc2ccc(cc2)c2ccccc2)CC(=O)C1N1CCOCC1" . "OC(=O)CC/C=C/CC[C@H]1[C@@H](OCc2ccc(cc2)c2ccccc2)CC(=O)[C@@H]1N1CCOCC1" . "IOFUFYLETVNNRF-OSAZKUMMSA-N" . "InChI=1S/C29H35NO5/c31-26-20-27(35-21-22-12-14-24(15-13-22)23-8-4-3-5-9-23)25(10-6-1-2-7-11-28(32)33)29(26)30-16-18-34-19-17-30/h1-5,8-9,12-15,25,27,29H,6-7,10-11,16-21H2,(H,32,33)/b2-1-/t25-,27-,29+/m0/s1" . "OC(C=CC1C(O)CC(=O)C1CC=CCCCC(=O)O)CCCC(O)C" . "O[C@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O)CCC[C@H](O)C" . "WTJYDBMHYPQFNJ-ZUVVJKHESA-N" . "InChI=1S/C20H32O6/c1-14(21)7-6-8-15(22)11-12-17-16(18(23)13-19(17)24)9-4-2-3-5-10-20(25)26/h2,4,11-12,14-17,19,21-22,24H,3,5-10,13H2,1H3,(H,25,26)/b4-2-,12-11+/t14-,15+,16-,17-,19-/m1/s1" . "CCCCCC(CCC1C(O)CC(=O)C1CCCCCCC(=O)O)O" . "CCCCC[C@@H](CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O" . "DPOINJQWXDTOSF-DODZYUBVSA-N" . "InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h15-17,19,21,23H,2-14H2,1H3,(H,24,25)/t15-,16+,17+,19+/m0/s1" . "CCCCCC(C=CC1CCC(=O)C1CC=CCCCC(=O)O)O" . "CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1C/C=C/CCCC(=O)O)O" . "CTHZICXYLKQMKI-FOSBLDSVSA-N" . "InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,16-18,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+/m0/s1" . "OC(C=CC1C(O)CC(=O)C1CCCCCCC(=O)O)CCCC(O)C" . "O[C@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)CCCC(O)C" . "QVVXWHIDRKRPMO-LXCOYWBSSA-N" . "InChI=1S/C20H34O6/c1-14(21)7-6-8-15(22)11-12-17-16(18(23)13-19(17)24)9-4-2-3-5-10-20(25)26/h11-12,14-17,19,21-22,24H,2-10,13H2,1H3,(H,25,26)/b12-11+/t14?,15-,16+,17+,19+/m0/s1" . "CC(CC(c1cccc2c1cccc2)C(=O)Nc1cc(ccc1Cc1ccccc1C(=O)O)Cn1cccn1)C" . "CC(CC(c1cccc2c1cccc2)C(=O)Nc1cc(ccc1Cc1ccccc1C(=O)O)Cn1cccn1)C" . "WXTQSWUTEXDKIF-UHFFFAOYSA-N" . "InChI=1S/C34H33N3O3/c1-23(2)19-31(30-14-7-11-25-9-3-5-12-28(25)30)33(38)36-32-20-24(22-37-18-8-17-35-37)15-16-27(32)21-26-10-4-6-13-29(26)34(39)40/h3-18,20,23,31H,19,21-22H2,1-2H3,(H,36,38)(H,39,40)" . "N#Cc1ccc(c(c1)NC(=O)C(c1ccc(c2c1cccc2)F)C)CCCC(=O)O" . "N#Cc1ccc(c(c1)NC(=O)C(c1ccc(c2c1cccc2)F)C)CCCC(=O)O" . "MTDIMKNAJUQTIO-UHFFFAOYSA-N" . "InChI=1S/C24H21FN2O3/c1-15(18-11-12-21(25)20-7-3-2-6-19(18)20)24(30)27-22-13-16(14-26)9-10-17(22)5-4-8-23(28)29/h2-3,6-7,9-13,15H,4-5,8H2,1H3,(H,27,30)(H,28,29)" . "COc1ccc(cc1S(=O)(=O)NC(=O)C=Cc1ccccc1Cc1ccc2c(c1)cccc2)Br" . "COc1ccc(cc1S(=O)(=O)NC(=O)/C=C/c1ccccc1Cc1ccc2c(c1)cccc2)Br" . "ODTKFNUPVBULRJ-NTCAYCPXSA-N" . "InChI=1S/C27H22BrNO4S/c1-33-25-14-13-24(28)18-26(25)34(31,32)29-27(30)15-12-21-7-3-5-9-23(21)17-19-10-11-20-6-2-4-8-22(20)16-19/h2-16,18H,17H2,1H3,(H,29,30)/b15-12+" . "OC(=O)CCCC=CCC1C(O)CC(C1C=CC(COc1cccc(c1)C(F)(F)F)O)O" . "OC(=O)CCC/C=C/C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O" . "WWSWYXNVCBLWNZ-QIZQQNKQSA-N" . "InChI=1S/C23H29F3O6/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h1,3,5-7,10-12,16,18-21,27-29H,2,4,8-9,13-14H2,(H,30,31)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1" . "CCCCCC(C=CC1CC2CC(C1CC=CCCCC(=O)O)S2)O" . "CCCCC[C@H](/C=C/[C@H]1C[C@H]2C[C@@H]([C@@H]1C/C=C/CCCC(=O)O)S2)O" . "OVGWMUWIRHGGJP-WVDJAODQSA-N" . "InChI=1S/C21H34O3S/c1-2-3-6-9-17(22)13-12-16-14-18-15-20(25-18)19(16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18-,19+,20-/m0/s1" . "OC(=O)CCCC=CCC1C2CCC(C1C=CC(COc1ccc(cc1)I)O)O2" . "OC(=O)CCC/C=C/C[C@H]1[C@@H]2CC[C@H]([C@@H]1/C=C/[C@H](COc1ccc(cc1)I)O)O2" . "UYFMSCHBODMWON-HBHIRWTLSA-N" . "InChI=1S/C23H29IO5/c24-16-7-10-18(11-8-16)28-15-17(25)9-12-20-19(21-13-14-22(20)29-21)5-3-1-2-4-6-23(26)27/h1,3,7-12,17,19-22,25H,2,4-6,13-15H2,(H,26,27)/b3-1-,12-9+/t17-,19-,20-,21+,22-/m1/s1" . "OC(COC1C(O)CC(=O)C1CC=CCCCC(=O)Oc1ccc(cc1)NC(=O)c1ccccc1)COc1ccccc1" . "O[C@H](CO[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)Oc1ccc(cc1)NC(=O)c1ccccc1)COc1ccccc1" . "KVSPDLWJCJFYEZ-CZQLRZFZSA-N" . "InChI=1S/C34H37NO8/c36-26(22-41-27-13-7-4-8-14-27)23-42-33-29(30(37)21-31(33)38)15-9-1-2-10-16-32(39)43-28-19-17-25(18-20-28)35-34(40)24-11-5-3-6-12-24/h1,3-9,11-14,17-20,26,29,31,33,36,38H,2,10,15-16,21-23H2,(H,35,40)/b9-1-/t26-,29-,31+,33+/m0/s1" . "CCCCC(CC=CC1C(O)CC(=O)C1CCCCCCC(=O)OC)(O)C" . "CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C" . "OJLOPKGSLYJEMD-URPKTTJQSA-N" . "InChI=1S/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3/b12-10+/t17-,18-,20-,22?/m1/s1" . "CCCCC(CC=CC1C(O)CC(=O)C1CCCCCCC(=O)O)(O)C" . "CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)(O)C" . "CNWGPXZGIIOYDL-MKYGPDKMSA-N" . "InChI=1S/C21H36O5/c1-3-4-13-21(2,26)14-9-11-17-16(18(22)15-19(17)23)10-7-5-6-8-12-20(24)25/h9,11,16-17,19,23,26H,3-8,10,12-15H2,1-2H3,(H,24,25)/b11-9+/t16-,17-,19-,21?/m1/s1" . "CC(CC(=O)O)O" . "C[C@H](CC(=O)O)O" . "WHBMMWSBFZVSSR-GSVOUGTGSA-N" . "InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1" . "CCCCCC(C=CC1C(O)CC2C1CC(=C2)CCCCC(=O)O)O" . "CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1CC(=C2)CCCCC(=O)O)O" . "JANVYOZZTKSZGN-WCAFQOMDSA-N" . "InChI=1S/C21H34O4/c1-2-3-4-8-17(22)10-11-18-19-13-15(7-5-6-9-21(24)25)12-16(19)14-20(18)23/h10-12,16-20,22-23H,2-9,13-14H2,1H3,(H,24,25)/b11-10+/t16-,17-,18+,19-,20+/m0/s1" . "COCc1ccccc1CCC(C=CC1C(O)CC(=O)C1SCCCSCC(=O)O)O" . "COCc1ccccc1CC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)O)O" . "BVGVPUMSPSNRRQ-CNOJNPITSA-N" . "InChI=1S/C23H32O6S2/c1-29-14-17-6-3-2-5-16(17)7-8-18(24)9-10-19-20(25)13-21(26)23(19)31-12-4-11-30-15-22(27)28/h2-3,5-6,9-10,18-20,23-25H,4,7-8,11-15H2,1H3,(H,27,28)/b10-9+/t18-,19-,20+,23+/m0/s1" . "C=CCC1(CCC1)C(CC=CC1C(O)CC(C1CC=CCCCC(=O)O)Cl)O" . "C=CCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)C[C@H]([C@@H]1C/C=C/CCCC(=O)O)Cl)O" . "XXTBGKDWFYXGDZ-KJCKJCAZSA-N" . "InChI=1S/C23H35ClO4/c1-2-13-23(14-8-15-23)21(26)11-7-10-18-17(19(24)16-20(18)25)9-5-3-4-6-12-22(27)28/h2-3,5,7,10,17-21,25-26H,1,4,6,8-9,11-16H2,(H,27,28)/b5-3-,10-7+/t17-,18-,19-,20-,21+/m1/s1" . "CCCCCC(C=CC1C(OC)CC(=O)C1CC=CCCCC(=O)O)OC" . "CCCCC[C@@H](/C=C/[C@H]1[C@H](OC)CC(=O)[C@@H]1C/C=C/CCCC(=O)O)OC" . "MXDQOCKVVLKVJS-QKIVIXBWSA-N" . "InChI=1S/C22H36O5/c1-4-5-8-11-17(26-2)14-15-19-18(20(23)16-21(19)27-3)12-9-6-7-10-13-22(24)25/h6,9,14-15,17-19,21H,4-5,7-8,10-13,16H2,1-3H3,(H,24,25)/b9-6-,15-14+/t17-,18+,19+,21+/m0/s1" . "COCc1cccc(c1)CC(C=CC1C(O)CC(=O)C1CCSCCCC(=O)OC)O" . "COCc1cccc(c1)C[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)OC)O" . "FBQUXLIJKPWCAO-AZIFJQEOSA-N" . "InChI=1S/C24H34O6S/c1-29-16-18-6-3-5-17(13-18)14-19(25)8-9-20-21(23(27)15-22(20)26)10-12-31-11-4-7-24(28)30-2/h3,5-6,8-9,13,19-22,25-26H,4,7,10-12,14-16H2,1-2H3/b9-8+/t19-,20-,21-,22-/m1/s1" . "OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C" . "OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C" . "WOHRHWDYFNWPNG-UHFFFAOYSA-N" . "InChI=1S/C25H28N2O5S/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29/h4-15H,16-18H2,1-3H3,(H,28,29)" . "CCCCCC(c1ccc(cc1)C1CCC(=O)C1CCCCCCC(=O)O)O" . "CCCCCC(c1ccc(cc1)C1CCC(=O)C1CCCCCCC(=O)O)O" . "XMQKDOCUWFCMEJ-UHFFFAOYSA-N" . "InChI=1S/C24H36O4/c1-2-3-6-10-22(25)19-14-12-18(13-15-19)20-16-17-23(26)21(20)9-7-4-5-8-11-24(27)28/h12-15,20-22,25H,2-11,16-17H2,1H3,(H,27,28)" . "CCCCC(C(C=CC1C(O)CC(=O)C1CC=CCCCC(=O)O)O)(C)C" . "CCCCC([C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O)O)(C)C" . "QAOBBBBDJSWHMU-WMBBNPMCSA-N" . "InChI=1S/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-17,19-20,24-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12+/t16-,17-,19-,20-/m1/s1" . "CCCCCC(C=CC1CCC(=O)C1CCCCCCC(=O)O)O" . "CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O)O" . "DPNOTBLPQOITGU-LDDQNKHRSA-N" . "InChI=1S/C20H34O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,16-18,21H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+/m0/s1" . "O=C(NNC(=O)N1Cc2ccccc2Oc2c1cc(Cl)cc2)CCSCc1ccco1" . "O=C(NNC(=O)N1Cc2ccccc2Oc2c1cc(Cl)cc2)CCSCc1ccco1" . "CQBVTZDISUKDSX-UHFFFAOYSA-N" . "InChI=1S/C22H20ClN3O4S/c23-16-7-8-20-18(12-16)26(13-15-4-1-2-6-19(15)30-20)22(28)25-24-21(27)9-11-31-14-17-5-3-10-29-17/h1-8,10,12H,9,11,13-14H2,(H,24,27)(H,25,28)" . "O=C(NNC(=O)N1Cc2ccccc2Oc2c1cc(Cl)cc2)CCc1ccncc1" . "O=C(NNC(=O)N1Cc2ccccc2Oc2c1cc(Cl)cc2)CCc1ccncc1" . "XDJPQOUDGROSEU-UHFFFAOYSA-N" . "InChI=1S/C22H19ClN4O3/c23-17-6-7-20-18(13-17)27(14-16-3-1-2-4-19(16)30-20)22(29)26-25-21(28)8-5-15-9-11-24-12-10-15/h1-4,6-7,9-13H,5,8,14H2,(H,25,28)(H,26,29)" . "CC(=O)NNC(=O)N1Cc2ccccc2Oc2c1cc(Cl)cc2" . "CC(=O)NNC(=O)N1Cc2ccccc2Oc2c1cc(Cl)cc2" . "KNURFLJTOUGOOQ-UHFFFAOYSA-N" . "InChI=1S/C16H14ClN3O3/c1-10(21)18-19-16(22)20-9-11-4-2-3-5-14(11)23-15-7-6-12(17)8-13(15)20/h2-8H,9H2,1H3,(H,18,21)(H,19,22)" . "CC(CN(S(=O)(=O)c1ccco1)c1ccc(cc1OCc1ccc(cc1)C=CC(=O)O)C(F)(F)F)C" . "CC(CN(S(=O)(=O)c1ccco1)c1ccc(cc1OCc1ccc(cc1)/C=C/C(=O)O)C(F)(F)F)C" . "LOQMSUDLLHPPHQ-FMIVXFBMSA-N" . "InChI=1S/C25H24F3NO6S/c1-17(2)15-29(36(32,33)24-4-3-13-34-24)21-11-10-20(25(26,27)28)14-22(21)35-16-19-7-5-18(6-8-19)9-12-23(30)31/h3-14,17H,15-16H2,1-2H3,(H,30,31)/b12-9+" . "OC(=O)CCCC=CC1C2CCC(C1CNS(=O)(=O)c1ccc(cc1C)Cl)CC2" . "OC(=O)CCC/C=C/[C@H]1C2CCC([C@@H]1CNS(=O)(=O)c1ccc(cc1C)Cl)CC2" . "VVEXPDRCGCQELD-CFDZEDGGSA-N" . "InChI=1S/C22H30ClNO4S/c1-15-13-18(23)11-12-21(15)29(27,28)24-14-20-17-9-7-16(8-10-17)19(20)5-3-2-4-6-22(25)26/h3,5,11-13,16-17,19-20,24H,2,4,6-10,14H2,1H3,(H,25,26)/b5-3-/t16?,17?,19-,20-/m0/s1" . "O=C(NS(=O)(=O)C)CCCC=CCC1C(=O)CC(C1C=CC(COc1ccccc1)O)O" . "O=C(NS(=O)(=O)C)CCC/C=C/C[C@H]1C(=O)C[C@H]([C@@H]1/C=C/[C@H](COc1ccccc1)O)O" . "UQZVCDCIMBLVNR-TWYODKAFSA-N" . 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"OC(=O)CCn1c2CCC(Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F" . "OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F" . "LDXDSHIEDAPSSA-OAHLLOKOSA-N" . "InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1" . "COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C" . "COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C" . "CGIGDMFJXJATDK-UHFFFAOYSA-N" . "InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)" . "CCC=CCC(C=CC1C(=O)CC(C1CC=CCCCC(=O)O)O)O" . "CCC=CC[C@@H](C=C[C@H]1C(=O)C[C@@H]([C@@H]1CC=CCCCC(=O)O)O)O" . "ANOICLBSJIMQTA-MLHJIOFPSA-N" . "InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-18,21-22H,2,5,8-11,14H2,1H3,(H,24,25)/t15-,16+,17+,18-/m0/s1" . "OC(=O)CC1CCn2c1c(Sc1ccc(cc1)Cl)c1c2cc(cc1)F" . "OC(=O)C[C@@H]1CCn2c1c(Sc1ccc(cc1)Cl)c1c2cc(cc1)F" . 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"InChI=1S/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,21+/m1/s1" . "Cc1cc(cnc1)C(=O)O" . "Cc1cc(cnc1)C(=O)O" . "DJDHHXDFKSLEQY-UHFFFAOYSA-N" . "InChI=1S/C7H7NO2/c1-5-2-6(7(9)10)4-8-3-5/h2-4H,1H3,(H,9,10)" . "CCCCCC(C=CC1C(=O)CC(C1CC=CCCCC(=O)O)O)(O)C" . "CCCCC[C@](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C/CCCC(=O)O)O)(O)C" . "CTXLUMAOXBULOZ-BKVRKCTKSA-N" . "InChI=1S/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,21-/m1/s1" . "CCCCCC(=O)CCC1C(O)CC(C1CC=CCCCC(=O)O)O" . "CCCCCC(=O)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C/CCCC(=O)O)O" . "VKTIONYPMSCHQI-XAGFEHLVSA-N" . "InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-19,22-23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,18+,19-/m1/s1" . "CCCCCC(=O)CCC1C(=O)CC(C1CC=CCCCC(=O)O)O" . "CCCCCC(=O)CC[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C/CCCC(=O)O)O" . "VSRXYLYXIXYEST-KZTWKYQFSA-N" . "InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-18,22H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,18+/m1/s1" . "OC(=O)CCCCCCC1N(NCC(C2CCCCC2)O)C(=O)N(C1=O)Cc1ccccc1" . "OC(=O)CCCCCCC1N(NCC(C2CCCCC2)O)C(=O)N(C1=O)Cc1ccccc1" . "YZJVWSKJHGEIBL-UHFFFAOYSA-N" . "InChI=1S/C25H37N3O5/c29-22(20-13-7-4-8-14-20)17-26-28-21(15-9-1-2-10-16-23(30)31)24(32)27(25(28)33)18-19-11-5-3-6-12-19/h3,5-6,11-12,20-22,26,29H,1-2,4,7-10,13-18H2,(H,30,31)" . "OC(=O)CCCC=CCC1CC2CC(C1NC(=O)c1csc3c1cc(O)cc3)C2(C)C" . "OC(=O)CCC/C=C/C[C@@H]1C[C@H]2C[C@@H]([C@@H]1NC(=O)c1csc3c1cc(O)cc3)C2(C)C" . "ZXBHFWFKSIYJEK-VAIANQQOSA-N" . 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"InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18?,19-,20+,21+/m0/s1" . "OC(=O)CCCC=CCC1C(O)CC(C1C=CC(COc1cccc(c1)Cl)O)O" . "OC(=O)CCC/C=C/C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)Cl)O)O" . "VJGGHXVGBSZVMZ-QIZQQNKQSA-N" . "InChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1" . "CCCCCC(C=CC1C(O)CC2C1CC(=CCCCC(=O)O)C2)O" . "CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O" . "XZFRIPGNUQRGPI-WLPVIMDJSA-N" . "InChI=1S/C21H34O4/c1-2-3-4-8-17(22)10-11-18-19-13-15(7-5-6-9-21(24)25)12-16(19)14-20(18)23/h7,10-11,16-20,22-23H,2-6,8-9,12-14H2,1H3,(H,24,25)/b11-10+,15-7-/t16-,17-,18+,19-,20+/m0/s1" . "CCCC1(CCC1)C(CC=CC1C(O)CC(=O)C1CCCCCCC(=O)O)O" . 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"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1" . "CCCCCC(C=CC1C(O)CC(=O)C1CC=CCCCC(=O)O)O" . "CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O)O" . "XEYBRNLFEZDVAW-ARSRFYASSA-N" . "InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1" . "CCCCCC(C=CC1C(O)CC(=O)C1CCCCCCC(=O)O)O" . "CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O" . "GMVPRGQOIOIIMI-DWKJAMRDSA-N" . "InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1" . "CCCCCC(C=CC1C(=O)CC(C1CC=CCCCC(=O)O)O)O" . "CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C/CCCC(=O)O)O)O" . "BHMBVRSPMRCCGG-OUTUXVNYSA-N" . "InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1" . "OC(=O)CC1CCn2c1c(Sc1ccc(cc1)Cl)c1c2cc(cc1)F" . "OC(=O)CC1CCn2c1c(Sc1ccc(cc1)Cl)c1c2cc(cc1)F" . "GSBAVONRPNJJOH-UHFFFAOYSA-N" . "InChI=1S/C19H15ClFNO2S/c20-12-1-4-14(5-2-12)25-19-15-6-3-13(21)10-16(15)22-8-7-11(18(19)22)9-17(23)24/h1-6,10-11H,7-9H2,(H,23,24)" . "CCCCCC(CCN1C(CCCc2ccc(cc2)C(=O)O)SCC1=O)O" . "CCCCCC(CCN1C(CCCc2ccc(cc2)C(=O)O)SCC1=O)O" . "NDAXAJCKSWCWQI-UHFFFAOYSA-N" . "InChI=1S/C21H31NO4S/c1-2-3-4-7-18(23)13-14-22-19(24)15-27-20(22)8-5-6-16-9-11-17(12-10-16)21(25)26/h9-12,18,20,23H,2-8,13-15H2,1H3,(H,25,26)" . "OC(=O)CCCCCCC1C(=O)NC(=O)N1CCC(C1CCCCC1)O" . "OC(=O)CCCCCCC1C(=O)NC(=O)N1CCC(C1CCCCC1)O" . "ZIDQIOZJEJFMOH-UHFFFAOYSA-N" . "InChI=1S/C19H32N2O5/c22-16(14-8-4-3-5-9-14)12-13-21-15(18(25)20-19(21)26)10-6-1-2-7-11-17(23)24/h14-16,22H,1-13H2,(H,23,24)(H,20,25,26)" . "CCCCCC=CC=C1C(CC=CCCCC(=O)O)C=CC1=O" . "CCCCC/C=C/C=C/1/[C@@H](C/C=C/CCCC(=O)O)C=CC1=O" . "VHRUMKCAEVRUBK-WKELIDJCSA-N" . "InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6-,18-13+/t17-/m0/s1" . "CCCCCC(CC=C1C(CC=CCCCC(=O)O)C=CC1=O)O" . "CCCCC[C@@H](C/C=C/1/[C@@H](C/C=C/CCCC(=O)O)C=CC1=O)O" . "TUXFWOHFPFBNEJ-GJGHEGAFSA-N" . "InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)/b7-4-,18-14+/t16-,17-/m0/s1" . "Clc1ccc2c(c1)CCc1c(C2N2CCN(CC2)C(=O)C)nccc1" . "Clc1ccc2c(c1)CCc1c(C2N2CCN(CC2)C(=O)C)nccc1" . "AIESXMXVDNOKQF-UHFFFAOYSA-N" . "InChI=1S/C20H22ClN3O/c1-14(25)23-9-11-24(12-10-23)20-18-7-6-17(21)13-16(18)5-4-15-3-2-8-22-19(15)20/h2-3,6-8,13,20H,4-5,9-12H2,1H3" . "Clc1ccc2c(c1)CCc1c(C2=C2CCN(CC2)C(=O)C)nccc1" . "Clc1ccc2c(c1)CCc1c(C2=C2CCN(CC2)C(=O)C)nccc1" . "FLTBEMVEAFMWDD-UHFFFAOYSA-N" . "InChI=1S/C21H21ClN2O/c1-14(25)24-11-8-15(9-12-24)20-19-7-6-18(22)13-17(19)5-4-16-3-2-10-23-21(16)20/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3" . "CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC" . "CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC" . "LSUANMYXNFBGDT-UHFFFAOYSA-O" . "InChI=1S/C34H59N3O6/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-35-33(39)42-28-32(41-4)29-43-34(40)37(30(3)38)27-31-24-21-23-26-36(31)6-2/h21,23-24,26,32H,5-20,22,25,27-29H2,1-4H3/p+1" . "COc1ccc(cc1OC)SCC(=S)N1CCc2c(C1)sc1c2C(=NCc2n1c(C)nn2)c1ccccc1Cl" . "COc1ccc(cc1OC)SCC(=S)N1CCc2c(C1)sc1c2C(=NCc2n1c(C)nn2)c1ccccc1Cl" . "MRVWRDZEYURFSW-UHFFFAOYSA-N" . "InChI=1S/C28H26ClN5O2S3/c1-16-31-32-24-13-30-27(18-6-4-5-7-20(18)29)26-19-10-11-33(14-23(19)39-28(26)34(16)24)25(37)15-38-17-8-9-21(35-2)22(12-17)36-3/h4-9,12H,10-11,13-15H2,1-3H3" . "CCC(C(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CCCN=C(N)N)C(C)C)CCCN=C(N)N)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C1CCCN1C(=O)C(C(O)C)N)CC(=O)O)CC(=O)N)C)Cc1ccc(cc1)O)C)CO)CCCN=C(N)N)C " . "CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C" . "CPYRNXJVNKJULS-FWGIIJIJSA-N" . "InChI=1S/C104H158N32O26/c1-10-53(5)82(97(158)124-66(29-19-39-116-104(112)113)99(160)134-40-21-32-75(134)95(156)132-81(52(3)4)96(157)119-49-77(141)122-65(28-18-38-115-103(110)111)88(149)125-67(84(107)145)43-58-23-13-12-14-24-58)131-78(142)50-118-87(148)64(27-17-37-114-102(108)109)123-92(153)72(51-137)130-86(147)55(7)120-89(150)68(44-59-33-35-61(139)36-34-59)127-90(151)69(45-60-48-117-63-26-16-15-25-62(60)63)126-85(146)56(8)121-93(154)73-30-20-41-135(73)100(161)71(46-76(105)140)129-98(159)83(54(6)11-2)133-91(152)70(47-79(143)144)128-94(155)74-31-22-42-136(74)101(162)80(106)57(9)138/h12-16,23-26,33-36,48,52-57,64-75,80-83,117,137-139H,10-11,17-22,27-32,37-47,49-51,106H2,1-9H3,(H2,105,140)(H2,107,145)(H,118,148)(H,119,157)(H,120,150)(H,121,154)(H,122,141)(H,123,153)(H,124,158)(H,125,149)(H,126,146)(H,127,151)(H,128,155)(H,129,159)(H,130,147)(H,131,142)(H,132,156)(H,133,152)(H,143,144)(H4,108,109,114)(H4,110,111,115)(H4,112,113,116)/t53-,54-,55-,56-,57+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,80-,81-,82-,83-/m0/s1" . "CCC(C(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)Cc1ccccc1)CCCN=C(N)N)C(C)C)CCCN=C(N)N)NC(=O)CN)C " . "CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C" . "JPKRCQSTRQEKSF-GFYOBVKKSA-N" . "InChI=1S/C41H68N14O9/c1-5-24(4)33(53-30(56)21-42)37(61)51-27(15-10-18-48-41(45)46)38(62)55-19-11-16-29(55)35(59)54-32(23(2)3)36(60)49-22-31(57)50-26(14-9-17-47-40(43)44)34(58)52-28(39(63)64)20-25-12-7-6-8-13-25/h6-8,12-13,23-24,26-29,32-33H,5,9-11,14-22,42H2,1-4H3,(H,49,60)(H,50,57)(H,51,61)(H,52,58)(H,53,56)(H,54,59)(H,63,64)(H4,43,44,47)(H4,45,46,48)/t24-,26-,27-,28-,29-,32-,33-/m0/s1" . "O=C1OC2C(C1C)(O)C13C4(C2)C(OC3=O)C(C(C24C(O1)OC(=O)C2O)C(C)(C)C)O" . "O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@@]13C4(C2)[C@H](OC3=O)[C@@H]([C@H](C24[C@H](O1)OC(=O)C2O)C(C)(C)C)O" . "LMEHVEUFNRJAAV-MHIVRBJNSA-N" . "InChI=1S/C20H24O10/c1-6-12(23)27-7-5-17-11-8(21)9(16(2,3)4)18(17)10(22)13(24)29-15(18)30-20(17,14(25)28-11)19(6,7)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10?,11-,15+,17?,18?,19-,20-/m1/s1" . "O=C1OC2C(C1C)(O)C13C4(C2O)C(OC3=O)C(C(C24C(O1)OC(=O)C2O)C(C)(C)C)O" . "O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@@]13C4(C2O)[C@H](OC3=O)[C@@H]([C@H](C24[C@H](O1)OC(=O)C2O)C(C)(C)C)O" . "AMOGMTLMADGEOQ-WXQWCWKOSA-N" . "InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5-,6-,7+,8?,9?,10-,11+,15+,17?,18?,19-,20-/m1/s1" . "O=C1OC2C(C1C)(O)C13C4(C2O)C(OC3=O)CC(C24C(O1)OC(=O)C2O)C(C)(C)C" . "O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@@]13C4(C2O)[C@H](OC3=O)C[C@H](C24[C@H](O1)OC(=O)C2O)C(C)(C)C" . "SQOJOAFXDQDRGF-OOHPMXMZSA-N" . "InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9?,10?,11+,15+,17?,18?,19-,20-/m1/s1" . "O=C1OC2C(C1C)(O)C13C4(C2)C(OC3=O)CC(C24C(O1)OC(=O)C2O)C(C)(C)C" . "O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@@]13C4(C2)[C@H](OC3=O)C[C@H](C24[C@H](O1)OC(=O)C2O)C(C)(C)C" . "FPUXKXIZEIDQKW-MSAFPSTDSA-N" . "InChI=1S/C20H24O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-11,15,21,25H,5-6H2,1-4H3/t7-,8+,9-,10+,11?,15+,17?,18?,19-,20-/m1/s1" . "O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl" . "O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl" . "JGPJQFOROWSRRS-UHFFFAOYSA-N" . "InChI=1S/C22H22ClN5O2S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-5,12H,6-11,13H2,1H3" . "O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl" . "O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl" . "JGPJQFOROWSRRS-UHFFFAOYSA-N" . "InChI=1S/C22H22ClN5O2S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-5,12H,6-11,13H2,1H3" . "Clc1cccc(c1)NC(=O)c1ccn2c1CSC2c1cccnc1" . "Clc1cccc(c1)NC(=O)c1ccn2c1CSC2c1cccnc1" . "MJGVBIXLFIUPQU-UHFFFAOYSA-N" . "InChI=1S/C18H14ClN3OS/c19-13-4-1-5-14(9-13)21-17(23)15-6-8-22-16(15)11-24-18(22)12-3-2-7-20-10-12/h1-10,18H,11H2,(H,21,23)" . "CC(Cc1ccc(cc1)CCc1sc2c(c1)C(=NC(c1n2c(C)nn1)C)c1ccccc1Cl)C" . "CC(Cc1ccc(cc1)CCc1sc2c(c1)C(=NC(c1n2c(C)nn1)C)c1ccccc1Cl)C" . "RMSWMRJVUJSDGN-UHFFFAOYSA-N" . "InChI=1S/C28H29ClN4S/c1-17(2)15-21-11-9-20(10-12-21)13-14-22-16-24-26(23-7-5-6-8-25(23)29)30-18(3)27-32-31-19(4)33(27)28(24)34-22/h5-12,16-18H,13-15H2,1-4H3" . "CN(CCN(c1scc(n1)c1c(cc(cc1C(C)C)C(C)C)C(C)C)Cc1cccnc1)C" . "CN(CCN(c1scc(n1)c1c(cc(cc1C(C)C)C(C)C)C(C)C)Cc1cccnc1)C" . "VVBFISAUNSXQGZ-UHFFFAOYSA-N" . "InChI=1S/C28H40N4S/c1-19(2)23-14-24(20(3)4)27(25(15-23)21(5)6)26-18-33-28(30-26)32(13-12-31(7)8)17-22-10-9-11-29-16-22/h9-11,14-16,18-21H,12-13,17H2,1-8H3" . "COc1cc(CCc2ccc(cc2)c2cc3ccccc3c3=NCCn23)cc(c1OC)OC" . "COc1cc(CCc2ccc(cc2)c2cc3ccccc3c3=NCCn23)cc(c1OC)OC" . "FKRBSORUVOGNEK-UHFFFAOYSA-N" . "InChI=1S/C28H28N2O3/c1-31-25-16-20(17-26(32-2)27(25)33-3)9-8-19-10-12-21(13-11-19)24-18-22-6-4-5-7-23(22)28-29-14-15-30(24)28/h4-7,10-13,16-18H,8-9,14-15H2,1-3H3" . "NC(=O)OCC[N+](C)(C)C" . "NC(=O)OCC[N+](C)(C)C" . "VPJXQGSRWJZDOB-UHFFFAOYSA-O" . "InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1" . "C#Cc1cccc2c1c(cn2C(=O)N(C)C)C(=O)c1ccc(c(c1)F)Cn1c(C)nc2c1ccnc2" . "C#Cc1cccc2c1c(cn2C(=O)N(C)C)C(=O)c1ccc(c(c1)F)Cn1c(C)nc2c1ccnc2" . "GDLNHSUSOZEAOR-UHFFFAOYSA-N" . "InChI=1S/C28H22FN5O2/c1-5-18-7-6-8-25-26(18)21(16-34(25)28(36)32(3)4)27(35)19-9-10-20(22(29)13-19)15-33-17(2)31-23-14-30-12-11-24(23)33/h1,6-14,16H,15H2,2-4H3" . "CC(=O)OC[n+]1cccc(c1)C1SCc2n1ccc2C(=O)c1cn(c2c1ccc(c2)c1ccc(cc1)F)C(=O)N(C)C.[Cl-]" . "CC(=O)OC[n+]1cccc(c1)[C@H]1SCc2n1ccc2C(=O)c1cn(c2c1ccc(c2)c1ccc(cc1)F)C(=O)N(C)C.[Cl-]" . "NKIONDJYXPXFFL-JSSVAETHSA-M" . "InChI=1S/C32H28FN4O4S.ClH/c1-20(38)41-19-35-13-4-5-23(16-35)31-36-14-12-26(29(36)18-42-31)30(39)27-17-37(32(40)34(2)3)28-15-22(8-11-25(27)28)21-6-9-24(33)10-7-21;/h4-17,31H,18-19H2,1-3H3;1H/q+1;/p-1/t31-;/m1./s1" . "O=C1OC2C(C1C)(O)C13C4(C2O)C(OC3=O)C(C(C24C(O1)OC(=O)C2O)C(C)(C)C)O" . "O=C1O[C@@H]2[C@@](C1C)(O)[C@]13C4(C2O)C(OC3=O)[C@@H](C(C24C(O1)OC(=O)[C@@H]2O)C(C)(C)C)O" . "AMOGMTLMADGEOQ-RNOCTPMTSA-N" . "InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5?,6-,7?,8?,9+,10?,11+,15?,17?,18?,19-,20+/m1/s1" . "O=C(OC1C(C(C)(C)C)C23C45C1OC(=O)C5(OC2OC(=O)C3O)C1(C(C4O)OC(=O)C1C)O)Cc1ccccc1" . "O=C(O[C@H]1C(C(C)(C)C)C23C45C1OC(=O)[C@@]5(OC2OC(=O)[C@@H]3O)[C@@]1([C@H](C4O)OC(=O)C1C)O)Cc1ccccc1" . "IYWGNBBAQNQGIC-MAVMKJRYSA-N" . "InChI=1S/C28H30O12/c1-11-20(32)37-19-16(30)26-18-14(36-13(29)10-12-8-6-5-7-9-12)15(24(2,3)4)25(26)17(31)21(33)39-23(25)40-28(26,22(34)38-18)27(11,19)35/h5-9,11,14-19,23,30-31,35H,10H2,1-4H3/t11?,14-,15?,16?,17-,18?,19-,23?,25?,26?,27+,28-/m0/s1" . "CC(=O)OC1C(C(C)(C)C)C23C45C1OC(=O)C5(OC2OC(=O)C3O)C1(C(C4O)OC(=O)C1C)O" . "CC(=O)OC1C(C(C)(C)C)C23C45C1OC(=O)[C@@]5(OC2OC(=O)[C@@H]3O)[C@@]1([C@H](C4O)OC(=O)C1C)O" . "PTVXMWRAVPFHBG-OIYCRRHPSA-N" . "InChI=1S/C22H26O12/c1-6-14(26)31-13-10(24)20-12-8(30-7(2)23)9(18(3,4)5)19(20)11(25)15(27)33-17(19)34-22(20,16(28)32-12)21(6,13)29/h6,8-13,17,24-25,29H,1-5H3/t6?,8?,9?,10?,11-,12?,13-,17?,19?,20?,21+,22-/m0/s1" . "CNC1C2OC(=O)C34C2(C2(C1C(C)(C)C)C(O3)OC(=O)C2O)C(O)C1C4(O)C(C(=O)O1)C" . "CN[C@@H]1C2OC(=O)[C@@]34C2(C2(C1C(C)(C)C)C(O3)OC(=O)[C@@H]2O)C(O)[C@H]1[C@]4(O)C(C(=O)O1)C" . "IFVRBXXBLQUPAA-WOBCBQRJSA-N" . "InChI=1S/C21H27NO10/c1-6-13(25)29-12-9(23)19-11-7(22-5)8(17(2,3)4)18(19)10(24)14(26)31-16(18)32-21(19,15(27)30-11)20(6,12)28/h6-12,16,22-24,28H,1-5H3/t6?,7-,8?,9?,10-,11?,12-,16?,18?,19?,20+,21-/m0/s1" . "CCNC1C(C(C)(C)C)C23C45C1OC(=O)C5(OC2OC(=O)C3O)C1(C(C4O)OC(=O)C1C)O" . "CCN[C@H]1C(C(C)(C)C)C23C45C1OC(=O)[C@@]5(OC2OC(=O)[C@@H]3O)[C@@]1([C@H](C4O)OC(=O)C1C)O" . "UIERCQIWSNGSNJ-YUTHRBKVSA-N" . "InChI=1S/C22H29NO10/c1-6-23-8-9(18(3,4)5)19-11(25)15(27)32-17(19)33-22-16(28)31-12(8)20(19,22)10(24)13-21(22,29)7(2)14(26)30-13/h7-13,17,23-25,29H,6H2,1-5H3/t7?,8-,9?,10?,11-,12?,13-,17?,19?,20?,21+,22-/m0/s1" . "O=C1OC2C(C1C)(O)C13C4(C2O)C(OC3=O)C(C(C24C(O1)OC(=O)C2O)C(C)(C)C)N" . "O=C1O[C@@H]2[C@@](C1C)(O)[C@]13C4(C2O)C(OC3=O)[C@H](C(C24C(O1)OC(=O)[C@@H]2O)C(C)(C)C)N" . "OONDPNQTNMFTRA-AQPRMESZSA-N" . "InChI=1S/C20H25NO10/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,22-23,27H,21H2,1-4H3/t5?,6-,7?,8?,9-,10?,11-,15?,17?,18?,19+,20-/m0/s1" . "[N-]=[N]=NC1C(C(C)(C)C)C23C45C1OC(=O)C5(OC2OC(=O)C3O)C1(C(C4O)OC(=O)C1C)O" . "[N-]=[N]=N[C@H]1C(C(C)(C)C)C23C45C1OC(=O)[C@@]5(OC2OC(=O)[C@@H]3O)[C@@]1([C@H](C4O)OC(=O)C1C)O" . "QHUUTLYBXWTSBQ-AQPRMESZSA-N" . "InChI=1S/C20H23N3O10/c1-5-12(26)30-11-8(24)18-10-6(22-23-21)7(16(2,3)4)17(18)9(25)13(27)32-15(17)33-20(18,14(28)31-10)19(5,11)29/h5-11,15,24-25,29H,1-4H3/q-1/t5?,6-,7?,8?,9-,10?,11-,15?,17?,18?,19+,20-/m0/s1" . "O=C1OC2C(C1C)(O)C13C4(C2O)C(OC3=O)C(C(C24C(O1)OC(=O)C2O)C(C)(C)C)F" . "O=C1O[C@@H]2[C@@](C1C)(O)[C@]13C4(C2O)C(OC3=O)C(C(C24C(O1)OC(=O)[C@@H]2O)C(C)(C)C)F" . "NKHCTSYWTBHOAK-UUSFTXJGSA-N" . "InChI=1S/C20H23FO10/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,22-23,27H,1-4H3/t5?,6?,7?,8?,9-,10?,11-,15?,17?,18?,19+,20-/m0/s1" . "O=C1OC2C(C1C)(O)C13C4(C2O)C(OC3=O)C(C(C24C(O1)OC(=O)C2O)C(C)(C)C)Cl" . "O=C1O[C@@H]2[C@@](C1C)(O)[C@]13C4(C2O)C(OC3=O)C(C(C24C(O1)OC(=O)[C@@H]2O)C(C)(C)C)Cl" . "GXEIWFYPUUOBJY-UUSFTXJGSA-N" . "InChI=1S/C20H23ClO10/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,22-23,27H,1-4H3/t5?,6?,7?,8?,9-,10?,11-,15?,17?,18?,19+,20-/m0/s1" . "O=C1OC2C3(C1OCc1ccccc1)C(C(C1C43C(O2)(C(=O)O1)C1(C(C4O)OC(=O)C1C)O)O)C(C)(C)C" . "O=C1OC2C3([C@H]1OCc1ccccc1)C([C@@H](C1C43[C@@](O2)(C(=O)O1)[C@@]1([C@H](C4O)OC(=O)C1C)O)O)C(C)(C)C" . "YPOMAFCMSAKBRX-CLNXZACASA-N" . "InChI=1S/C27H30O11/c1-11-19(30)35-17-15(29)25-16-13(28)14(23(2,3)4)24(25)18(34-10-12-8-6-5-7-9-12)20(31)37-22(24)38-27(25,21(32)36-16)26(11,17)33/h5-9,11,13-18,22,28-29,33H,10H2,1-4H3/t11?,13-,14?,15?,16?,17-,18-,22?,24?,25?,26+,27-/m0/s1" . "OCc1c(COP(=O)(O)O)c(N=Nc2cc(ccc2Cl)N(=O)=O)nc(c1O)C" . "OCc1c(COP(=O)(O)O)c(/N=N/c2cc(ccc2Cl)N(=O)=O)nc(c1O)C" . "RYOZMXBRDOGYMB-ISLYRVAYSA-N" . "InChI=1S/C14H14ClN4O8P/c1-7-13(21)9(5-20)10(6-27-28(24,25)26)14(16-7)18-17-12-4-8(19(22)23)2-3-11(12)15/h2-4,20-21H,5-6H2,1H3,(H2,24,25,26)/b18-17+" . "O=C1OC2C3(C1OCc1ccccc1)C(C(C1C43C(O2)(C(=O)O1)C1(C(C4O)OC(=O)C1C)O)O)C(C)(C)C" . "O=C1OC2C3([C@H]1OCc1ccccc1)C([C@H](C1C43[C@@](O2)(C(=O)O1)[C@@]1([C@H](C4O)OC(=O)C1C)O)O)C(C)(C)C" . "YPOMAFCMSAKBRX-WULOTIIESA-N" . "InChI=1S/C27H30O11/c1-11-19(30)35-17-15(29)25-16-13(28)14(23(2,3)4)24(25)18(34-10-12-8-6-5-7-9-12)20(31)37-22(24)38-27(25,21(32)36-16)26(11,17)33/h5-9,11,13-18,22,28-29,33H,10H2,1-4H3/t11?,13-,14?,15?,16?,17+,18+,22?,24?,25?,26-,27+/m1/s1" . "O=C1OC2C3(C1OCc1ccccc1)C(CC1C43C(O2)(C(=O)O1)C1(C(C4O)OC(=O)C1C)O)C(C)(C)C" . "O=C1OC2C3([C@H]1OCc1ccccc1)C(CC1C43[C@@](O2)(C(=O)O1)[C@@]1([C@H](C4O)OC(=O)C1C)O)C(C)(C)C" . "PHJOWQWLQBFEEM-ZTPSGWAGSA-N" . "InChI=1S/C27H30O10/c1-12-19(29)35-17-16(28)25-15-10-14(23(2,3)4)24(25)18(33-11-13-8-6-5-7-9-13)20(30)36-22(24)37-27(25,21(31)34-15)26(12,17)32/h5-9,12,14-18,22,28,32H,10-11H2,1-4H3/t12?,14?,15?,16?,17-,18-,22?,24?,25?,26+,27-/m0/s1" . "O=C1OC2C3(C1OCc1ccccc1)C(C(C1C43C(O2)(C(=O)O1)C1(C(C4O)OC(=O)C1C)O)F)C(C)(C)C" . "O=C1OC2C3([C@H]1OCc1ccccc1)C([C@@H](C1C43[C@@](O2)(C(=O)O1)[C@@]1([C@H](C4O)OC(=O)C1C)O)F)C(C)(C)C" . "LFVHCLPCEWRXME-CLNXZACASA-N" . "InChI=1S/C27H29FO10/c1-11-19(30)35-17-15(29)25-16-13(28)14(23(2,3)4)24(25)18(34-10-12-8-6-5-7-9-12)20(31)37-22(24)38-27(25,21(32)36-16)26(11,17)33/h5-9,11,13-18,22,29,33H,10H2,1-4H3/t11?,13-,14?,15?,16?,17-,18-,22?,24?,25?,26+,27-/m0/s1" . "CCCCCCCCCCCCCCCCOCC(OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-]" . "CCCCCCCCCCCCCCCCOCC(OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-]" . "HVAUUPRFYPCOCA-UHFFFAOYSA-N" . "InChI=1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3" . "CCCCCCCCCCCCCCCCOCC(OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-]" . "CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-]" . "HVAUUPRFYPCOCA-AREMUKBSSA-N" . "InChI=1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1" . "CCCCCCCCCCCCCCCCOCC(OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-]" . "CCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-]" . "HVAUUPRFYPCOCA-AREMUKBSSA-N" . "InChI=1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1" . "CCCCCCCCCCCCCCCCC(COCC(OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-])C" . "CCCCCCCCCCCCCCCCC(COCC(OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-])C" . "CIVAIADZNGBFHP-UHFFFAOYSA-N" . "InChI=1S/C29H60NO7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(2)24-34-25-29(37-28(3)31)26-36-38(32,33)35-23-22-30(4,5)6/h27,29H,7-26H2,1-6H3" . "CCCCCCCCCCCCCCCCOCC(COP(=O)(OCC[N+](C)(C)C)O)OCC" . "CCCCCCCCCCCCCCCCOCC(COP(=O)(OCC[N+](C)(C)C)O)OCC" . "LPHUUVMLQFHHQG-UHFFFAOYSA-O" . "InChI=1S/C26H56NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-30-24-26(31-7-2)25-33-34(28,29)32-23-21-27(3,4)5/h26H,6-25H2,1-5H3/p+1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)O)C)CC(=O)O)CC(C)C)CC(C)C)CC(C)C)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)O)N)C)C)Cc1ccccc1)CCCN=C(N)N)CCC(=O)O)CCCN=C(N)N)C)CCCN=C(N)N)CC(C)C)CC(C)C)C)C)CC(C)C)CCC(=O)O)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)CC(=O)O)CO)Cc1ccc(cc1)O)CCSC)CCC(=O)N " . "CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O" . "VDGRLJCTLFDSRL-ZBGVNHJGSA-N" . "InChI=1S/C177H290N54O47S/c1-86(2)70-118(221-159(265)120(72-88(5)6)220-150(256)109(44-32-63-194-173(183)184)206-141(247)98(21)203-145(251)108(43-31-62-193-172(181)182)208-153(259)115(55-58-134(235)236)214-148(254)112(47-35-66-197-176(189)190)212-165(271)126(78-100-38-25-24-26-39-100)218-143(249)97(20)200-139(245)94(17)202-144(250)105(179)81-136(239)240)156(262)204-95(18)140(246)201-96(19)142(248)217-119(71-87(3)4)158(264)215-116(56-59-135(237)238)154(260)211-111(46-34-65-196-175(187)188)147(253)209-110(45-33-64-195-174(185)186)146(252)210-113(48-36-67-198-177(191)192)151(257)227-128(80-102-84-199-106-41-28-27-40-104(102)106)167(273)225-125(77-93(15)16)164(270)229-130(83-138(243)244)168(274)230-131(85-232)169(275)226-127(79-101-50-52-103(233)53-51-101)166(272)216-117(60-69-279-23)155(261)213-114(54-57-133(180)234)152(258)207-107(42-29-30-61-178)149(255)219-121(73-89(7)8)160(266)222-122(74-90(9)10)161(267)223-123(75-91(11)12)162(268)224-124(76-92(13)14)163(269)228-129(82-137(241)242)157(263)205-99(22)170(276)231-68-37-49-132(231)171(277)278/h24-28,38-41,50-53,84,86-99,105,107-132,199,232-233H,29-37,42-49,54-83,85,178-179H2,1-23H3,(H2,180,234)(H,200,245)(H,201,246)(H,202,250)(H,203,251)(H,204,262)(H,205,263)(H,206,247)(H,207,258)(H,208,259)(H,209,253)(H,210,252)(H,211,260)(H,212,271)(H,213,261)(H,214,254)(H,215,264)(H,216,272)(H,217,248)(H,218,249)(H,219,255)(H,220,256)(H,221,265)(H,222,266)(H,223,267)(H,224,268)(H,225,273)(H,226,275)(H,227,257)(H,228,269)(H,229,270)(H,230,274)(H,235,236)(H,237,238)(H,239,240)(H,241,242)(H,243,244)(H,277,278)(H4,181,182,193)(H4,183,184,194)(H4,185,186,195)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)/t94-,95-,96-,97-,98-,99-,105-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)O)C)CC(=O)O)CC(C)C)C(C)C)CC(C)C)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)O)N)C)C)Cc1ccccc1)CCCN=C(N)N)CCC(=O)O)CCCN=C(N)N)C)CCCN=C(N)N)CC(C)C)CC(C)C)C)C)CC(C)C)CCC(=O)O)CCCN=C(N)N)CCCN=C(N)N)Cc1nc[nH]c1)CC(C)C)CC(=O)N)CO)Cc1ccc(cc1)O)CCSC)Cc1nc[nH]c1 " . "CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O)C(C)C" . "YZZGBCBZTVQFMC-ZZGNCFJISA-N" . "InChI=1S/C177H283N55O45S/c1-86(2)65-118(220-158(262)120(67-88(5)6)219-150(254)111(43-32-59-194-174(183)184)207-142(246)98(21)204-146(250)110(42-31-58-193-173(181)182)208-152(256)115(52-54-135(236)237)213-148(252)113(45-34-61-196-176(187)188)212-162(266)125(72-100-37-25-24-26-38-100)217-144(248)97(20)201-140(244)94(17)203-145(249)107(179)77-137(240)241)155(259)205-95(18)141(245)202-96(19)143(247)216-119(66-87(3)4)157(261)214-116(53-55-136(238)239)153(257)210-112(44-33-60-195-175(185)186)147(251)209-114(46-35-62-197-177(189)190)151(255)225-129(76-104-82-192-85-200-104)166(270)224-127(74-102-80-198-108-40-28-27-39-106(102)108)164(268)221-122(69-90(9)10)160(264)227-130(78-134(180)235)167(271)230-132(83-233)169(273)223-126(73-101-48-50-105(234)51-49-101)163(267)215-117(56-64-278-23)154(258)226-128(75-103-81-191-84-199-103)165(269)211-109(41-29-30-57-178)149(253)218-121(68-89(7)8)159(263)222-124(71-92(13)14)168(272)231-139(93(15)16)170(274)229-123(70-91(11)12)161(265)228-131(79-138(242)243)156(260)206-99(22)171(275)232-63-36-47-133(232)172(276)277/h24-28,37-40,48-51,80-82,84-99,107,109-133,139,198,233-234H,29-36,41-47,52-79,83,178-179H2,1-23H3,(H2,180,235)(H,191,199)(H,192,200)(H,201,244)(H,202,245)(H,203,249)(H,204,250)(H,205,259)(H,206,260)(H,207,246)(H,208,256)(H,209,251)(H,210,257)(H,211,269)(H,212,266)(H,213,252)(H,214,261)(H,215,267)(H,216,247)(H,217,248)(H,218,253)(H,219,254)(H,220,262)(H,221,268)(H,222,263)(H,223,273)(H,224,270)(H,225,255)(H,226,258)(H,227,264)(H,228,265)(H,229,274)(H,230,271)(H,231,272)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H,276,277)(H4,181,182,193)(H4,183,184,194)(H4,185,186,195)(H4,187,188,196)(H4,189,190,197)/t94-,95-,96-,97-,98-,99-,107-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,139-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C)C(O)C)Cc1nc[nH]c1)C(CC)C)CCC(=O)O)C)C(CC)C)CC(C)C)Cc1nc[nH]c1)Cc1nc[nH]c1)CC(C)C)Cc1ccccc1)Cc1ccccc1)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)CC(=O)O)CCC(=O)N)C(CC)C)CO)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(N)C)CO)CCC(=O)O)Cc1nc[nH]c1)CCC(=O)N)CC(C)C)CC(C)C)Cc1nc[nH]c1)CC(=O)O)CCCCN " . "CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)[C@@H](C)CC" . "ZOWOHMFPXMYFKJ-WBTWNKCNSA-N" . "InChI=1S/C180H287N57O48/c1-23-94(16)141(173(280)206-98(20)146(253)209-116(51-55-137(246)247)155(262)234-143(96(18)25-3)175(282)230-128(72-107-79-196-87-205-107)169(276)237-144(100(22)240)176(283)207-99(21)177(284)285)235-168(275)121(65-92(12)13)221-163(270)125(69-104-76-193-84-202-104)227-164(271)126(70-105-77-194-85-203-105)225-159(266)120(64-91(10)11)219-160(267)123(67-102-41-30-27-31-42-102)223-161(268)122(66-101-39-28-26-29-40-101)222-151(258)112(47-38-60-199-180(190)191)212-149(256)110(45-36-58-197-178(186)187)211-150(257)111(46-37-59-198-179(188)189)213-156(263)117(61-88(4)5)220-167(274)130(74-139(250)251)228-153(260)114(49-53-134(185)242)216-174(281)142(95(17)24-2)236-171(278)132(82-239)231-148(255)109(44-33-35-57-182)208-135(243)80-200-147(254)108(43-32-34-56-181)210-166(273)129(73-138(248)249)229-165(272)127(71-106-78-195-86-204-106)226-158(265)119(63-90(8)9)218-157(264)118(62-89(6)7)217-152(259)113(48-52-133(184)241)214-162(269)124(68-103-75-192-83-201-103)224-154(261)115(50-54-136(244)245)215-170(277)131(81-238)232-172(279)140(93(14)15)233-145(252)97(19)183/h26-31,39-42,75-79,83-100,108-132,140-144,238-240H,23-25,32-38,43-74,80-82,181-183H2,1-22H3,(H2,184,241)(H2,185,242)(H,192,201)(H,193,202)(H,194,203)(H,195,204)(H,196,205)(H,200,254)(H,206,280)(H,207,283)(H,208,243)(H,209,253)(H,210,273)(H,211,257)(H,212,256)(H,213,263)(H,214,269)(H,215,277)(H,216,281)(H,217,259)(H,218,264)(H,219,267)(H,220,274)(H,221,270)(H,222,258)(H,223,268)(H,224,261)(H,225,266)(H,226,265)(H,227,271)(H,228,260)(H,229,272)(H,230,282)(H,231,255)(H,232,279)(H,233,252)(H,234,262)(H,235,275)(H,236,278)(H,237,276)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,284,285)(H4,186,187,197)(H4,188,189,198)(H4,190,191,199)/t94-,95-,96-,97-,98-,99-,100+,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,140-,141-,142-,143-,144-/m0/s1" . "OCC1OC(OP(=O)(OP(=O)(OCC2OC(C(C2O)O)n2ccc(=O)[nH]c2=O)O)O)C(C(C1O)O)NC(=O)C" . "OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C" . "LFTYTUAZOPRMMI-CFRASDGPSA-N" . "InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,13-,14-,15-,16-/m1/s1" . "O=CC1=C(COP(=O)(O)O)C(=NNc2ccc(c(c2)[N+](=O)[O-])Cl)N=C(C1=O)C" . "O=CC1=C(COP(=O)(O)O)/C(=N/Nc2ccc(c(c2)[N+](=O)[O-])Cl)/N=C(C1=O)C" . "QFNNQKZCKPHORP-JXAWBTAJSA-N" . "InChI=1S/C14H12ClN4O8P/c1-7-13(21)9(5-20)10(6-27-28(24,25)26)14(16-7)18-17-8-2-3-11(15)12(4-8)19(22)23/h2-5,17H,6H2,1H3,(H2,24,25,26)/b18-14-" . "CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(C(C1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O" . "CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O" . "PAEBIVWUMLRPSK-IDTAVKCVSA-N" . "InChI=1S/C17H25Cl2F3N5O12P3S2/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32)/t8-,10-,11-,14-/m1/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)O)C)CC(=O)O)CC(C)C)C(C)C)CC(C)C)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)Cc1ccccc1)CCCN=C(N)N)CCC(=O)O)CCCN=C(N)N)C)CCCN=C(N)N)CC(C)C)CC(C)C)C)C)CC(C)C)CCC(=O)O)CCCN=C(N)N)CCCN=C(N)N)Cc1nc[nH]c1)CC(C)C)CC(=O)N)CO)Cc1ccc(cc1)O)CCSC)Cc1nc[nH]c1 " . "CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O)C(C)C" . "YZGNBZRNADJFRC-PXNJZTSKSA-N" . "InChI=1S/C170H273N53O41S/c1-84(2)64-114(211-151(249)116(66-86(5)6)210-143(241)107(42-31-58-187-167(176)177)198-137(235)95(20)195-139(237)106(41-30-57-186-166(174)175)199-145(243)111(51-53-131(227)228)204-141(239)109(44-33-60-189-169(180)181)203-155(253)121(207-135(233)92(17)172)71-97-36-24-23-25-37-97)148(246)196-93(18)136(234)194-94(19)138(236)208-115(65-85(3)4)150(248)205-112(52-54-132(229)230)146(244)201-108(43-32-59-188-168(178)179)140(238)200-110(45-34-61-190-170(182)183)144(242)216-125(75-101-80-185-83-193-101)159(257)215-123(73-99-78-191-104-39-27-26-38-103(99)104)157(255)212-118(68-88(9)10)153(251)218-126(76-130(173)226)160(258)221-128(81-224)162(260)214-122(72-98-47-49-102(225)50-48-98)156(254)206-113(55-63-265-22)147(245)217-124(74-100-79-184-82-192-100)158(256)202-105(40-28-29-56-171)142(240)209-117(67-87(7)8)152(250)213-120(70-90(13)14)161(259)222-134(91(15)16)163(261)220-119(69-89(11)12)154(252)219-127(77-133(231)232)149(247)197-96(21)164(262)223-62-35-46-129(223)165(263)264/h23-27,36-39,47-50,78-80,82-96,105-129,134,191,224-225H,28-35,40-46,51-77,81,171-172H2,1-22H3,(H2,173,226)(H,184,192)(H,185,193)(H,194,234)(H,195,237)(H,196,246)(H,197,247)(H,198,235)(H,199,243)(H,200,238)(H,201,244)(H,202,256)(H,203,253)(H,204,239)(H,205,248)(H,206,254)(H,207,233)(H,208,236)(H,209,240)(H,210,241)(H,211,249)(H,212,255)(H,213,250)(H,214,260)(H,215,257)(H,216,242)(H,217,245)(H,218,251)(H,219,252)(H,220,261)(H,221,258)(H,222,259)(H,227,228)(H,229,230)(H,231,232)(H,263,264)(H4,174,175,186)(H4,176,177,187)(H4,178,179,188)(H4,180,181,189)(H4,182,183,190)/t92-,93-,94-,95-,96-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,134-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)O)C)CC(=O)O)CC(C)C)C(C)C)CC(C)C)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CC(C)C)C)CC(=O)O)CC(=O)O)C)C)Cc1ccccc1)CCCN=C(N)N)CCC(=O)O)CCCN=C(N)N)C)CCCN=C(N)N)CC(C)C)CC(C)C)C)C)CC(C)C)CCC(=O)O)CCCN=C(N)N)CCCN=C(N)N)Cc1nc[nH]c1)CC(C)C)CC(=O)N)CO)Cc1ccc(cc1)O)CCSC)Cc1nc[nH]c1 " . "CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O)C(C)C" . "LRMJKUCVFLZDRO-WFFQVJADSA-N" . "InChI=1S/C193H309N59O51S/c1-92(2)69-126(233-152(266)101(19)195)168(282)222-107(25)158(272)236-142(85-150(264)265)183(297)248-140(83-148(260)261)170(284)221-103(21)154(268)218-105(23)157(271)235-134(77-109-41-29-28-30-42-109)177(291)229-121(49-38-65-212-192(203)204)161(275)230-123(56-58-146(256)257)165(279)225-118(46-35-62-209-189(197)198)159(273)219-106(24)155(269)224-119(47-36-63-210-190(199)200)163(277)238-129(72-95(7)8)173(287)239-127(70-93(3)4)169(283)220-102(20)153(267)217-104(22)156(270)234-128(71-94(5)6)172(286)231-124(57-59-147(258)259)166(280)227-120(48-37-64-211-191(201)202)160(274)226-122(50-39-66-213-193(205)206)164(278)244-138(81-113-88-208-91-216-113)181(295)243-136(79-111-86-214-116-44-32-31-43-115(111)116)179(293)240-131(74-97(11)12)175(289)246-139(82-145(196)255)182(296)250-143(89-253)185(299)242-135(78-110-52-54-114(254)55-53-110)178(292)232-125(60-68-304-27)167(281)245-137(80-112-87-207-90-215-112)180(294)228-117(45-33-34-61-194)162(276)237-130(73-96(9)10)174(288)241-133(76-99(15)16)184(298)251-151(100(17)18)186(300)249-132(75-98(13)14)176(290)247-141(84-149(262)263)171(285)223-108(26)187(301)252-67-40-51-144(252)188(302)303/h28-32,41-44,52-55,86-88,90-108,117-144,151,214,253-254H,33-40,45-51,56-85,89,194-195H2,1-27H3,(H2,196,255)(H,207,215)(H,208,216)(H,217,267)(H,218,268)(H,219,273)(H,220,283)(H,221,284)(H,222,282)(H,223,285)(H,224,269)(H,225,279)(H,226,274)(H,227,280)(H,228,294)(H,229,291)(H,230,275)(H,231,286)(H,232,292)(H,233,266)(H,234,270)(H,235,271)(H,236,272)(H,237,276)(H,238,277)(H,239,287)(H,240,293)(H,241,288)(H,242,299)(H,243,295)(H,244,278)(H,245,281)(H,246,289)(H,247,290)(H,248,297)(H,249,300)(H,250,296)(H,251,298)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,302,303)(H4,197,198,209)(H4,199,200,210)(H4,201,202,211)(H4,203,204,212)(H4,205,206,213)/t101-,102-,103-,104-,105-,106-,107-,108-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,151-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C)C(O)C)Cc1nc[nH]c1)C(CC)C)CCC(=O)O)C)C(CC)C)CC(C)C)Cc1nc[nH]c1)Cc1nc[nH]c1)CC(C)C)Cc1ccccc1)Cc1ccccc1)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)CC(=O)O)CCC(=O)N)C(CC)C)CO)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(C)C)N)CC(C)C)Cc1nc[nH]c1)CC(=O)O)CCCCN " . "CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)[C@@H](C)CC" . "FEZOBILJACXPRS-HPMYYUFQSA-N" . "InChI=1S/C153H246N48O38/c1-20-82(14)120(146(234)176-85(17)124(212)179-101(46-48-117(206)207)132(220)198-122(84(16)22-3)148(236)196-111(64-93-70-167-76-175-93)144(232)201-123(87(19)203)149(237)177-86(18)150(238)239)199-143(231)105(58-81(12)13)188-138(226)108(61-90-67-164-73-172-90)193-139(227)109(62-91-68-165-74-173-91)192-135(223)104(57-80(10)11)186-136(224)107(60-89-38-27-24-28-39-89)190-137(225)106(59-88-36-25-23-26-37-88)189-130(218)99(44-35-53-170-153(162)163)182-128(216)97(42-33-51-168-151(158)159)181-129(217)98(43-34-52-169-152(160)161)183-133(221)103(56-79(8)9)187-142(230)113(66-119(210)211)194-131(219)100(45-47-115(157)204)184-147(235)121(83(15)21-2)200-145(233)114(72-202)197-127(215)96(41-30-32-50-155)178-116(205)71-171-126(214)95(40-29-31-49-154)180-141(229)112(65-118(208)209)195-140(228)110(63-92-69-166-75-174-92)191-134(222)102(55-78(6)7)185-125(213)94(156)54-77(4)5/h23-28,36-39,67-70,73-87,94-114,120-123,202-203H,20-22,29-35,40-66,71-72,154-156H2,1-19H3,(H2,157,204)(H,164,172)(H,165,173)(H,166,174)(H,167,175)(H,171,214)(H,176,234)(H,177,237)(H,178,205)(H,179,212)(H,180,229)(H,181,217)(H,182,216)(H,183,221)(H,184,235)(H,185,213)(H,186,224)(H,187,230)(H,188,226)(H,189,218)(H,190,225)(H,191,222)(H,192,223)(H,193,227)(H,194,219)(H,195,228)(H,196,236)(H,197,215)(H,198,220)(H,199,231)(H,200,233)(H,201,232)(H,206,207)(H,208,209)(H,210,211)(H,238,239)(H4,158,159,168)(H4,160,161,169)(H4,162,163,170)/t82-,83-,84-,85-,86-,87+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,120-,121-,122-,123-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(CC)C)C(=O)O)CCC(=O)O)C)C(O)C)Cc1nc[nH]c1)C(CC)C)CCC(=O)O)C)C(CC)C)CC(C)C)Cc1nc[nH]c1)Cc1nc[nH]c1)CC(C)C)Cc1ccccc1)Cc1ccccc1)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)CC(=O)O)CCC(=O)N)C(CC)C)CO)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(N)C)CO)CCC(=O)O)Cc1nc[nH]c1)CCC(=O)N)CC(C)C)CC(C)C)Cc1nc[nH]c1)CC(=O)O)CCCCN " . "CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)O" . "NNRMZXDHMCWWRV-RHBZDGMUSA-N" . "InChI=1S/C191H305N59O52/c1-25-99(17)149(184(297)217-104(22)155(268)220-122(54-59-144(259)260)165(278)246-151(101(19)27-3)186(299)242-135(77-113-84-207-92-216-113)180(293)250-153(106(24)253)187(300)218-105(23)156(269)221-123(55-60-145(261)262)166(279)249-152(188(301)302)102(20)28-4)247-179(292)128(70-97(13)14)233-174(287)132(74-110-81-204-89-213-110)239-175(288)133(75-111-82-205-90-214-111)237-170(283)127(69-96(11)12)231-171(284)130(72-108-44-33-30-34-45-108)235-172(285)129(71-107-42-31-29-32-43-107)234-161(274)118(50-41-65-210-191(201)202)224-159(272)116(48-39-63-208-189(197)198)223-160(273)117(49-40-64-209-190(199)200)225-167(280)124(66-93(5)6)232-178(291)137(79-147(265)266)240-163(276)120(52-57-141(196)255)228-185(298)150(100(18)26-2)248-182(295)139(87-252)243-158(271)115(47-36-38-62-193)219-142(256)85-211-157(270)114(46-35-37-61-192)222-177(290)136(78-146(263)264)241-176(289)134(76-112-83-206-91-215-112)238-169(282)126(68-95(9)10)230-168(281)125(67-94(7)8)229-162(275)119(51-56-140(195)254)226-173(286)131(73-109-80-203-88-212-109)236-164(277)121(53-58-143(257)258)227-181(294)138(86-251)244-183(296)148(98(15)16)245-154(267)103(21)194/h29-34,42-45,80-84,88-106,114-139,148-153,251-253H,25-28,35-41,46-79,85-87,192-194H2,1-24H3,(H2,195,254)(H2,196,255)(H,203,212)(H,204,213)(H,205,214)(H,206,215)(H,207,216)(H,211,270)(H,217,297)(H,218,300)(H,219,256)(H,220,268)(H,221,269)(H,222,290)(H,223,273)(H,224,272)(H,225,280)(H,226,286)(H,227,294)(H,228,298)(H,229,275)(H,230,281)(H,231,284)(H,232,291)(H,233,287)(H,234,274)(H,235,285)(H,236,277)(H,237,283)(H,238,282)(H,239,288)(H,240,276)(H,241,289)(H,242,299)(H,243,271)(H,244,296)(H,245,267)(H,246,278)(H,247,292)(H,248,295)(H,249,279)(H,250,293)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,301,302)(H4,197,198,208)(H4,199,200,209)(H4,201,202,210)/t99-,100-,101-,102-,103-,104-,105-,106+,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,148-,149-,150-,151-,152-,153-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccccc1)CC(=O)N)Cc1nc[nH]c1)C(C)C)CC(=O)O)CCC(=O)N)CC(C)C)CCCCN)CCCCN)CCCN=C(N)N)CC(C)C)Cc1c[nH]c2c1cccc2)CCC(=O)O)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)CC(=O)O)CCC(=O)N)C(CC)C)CO)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(N)C)CO)CCC(=O)O)Cc1nc[nH]c1)CCC(=O)N)CC(C)C)CC(C)C)Cc1nc[nH]c1)CC(=O)O)CCCCN " . "CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C" . "XAFMSRGNPGABMT-AXOOKYBDSA-N" . "InChI=1S/C184H299N61O51/c1-18-97(16)147(245-176(291)134(86-247)241-150(265)107(41-25-29-59-186)214-139(252)84-210-149(264)106(40-24-28-58-185)215-172(287)129(77-142(257)258)238-169(284)126(74-102-82-203-88-212-102)234-166(281)123(70-94(10)11)229-165(280)122(69-93(8)9)228-157(272)114(48-53-135(190)248)224-168(283)125(73-101-81-202-87-211-101)233-161(276)118(52-57-141(255)256)225-175(290)133(85-246)242-178(293)145(95(12)13)243-148(263)98(17)189)179(294)226-116(50-55-137(192)250)159(274)236-130(78-143(259)260)173(288)231-121(68-92(6)7)163(278)221-113(47-35-65-208-184(200)201)154(269)218-110(44-32-62-205-181(194)195)152(267)219-111(45-33-63-206-182(196)197)155(270)222-117(51-56-140(253)254)160(275)232-124(72-100-80-209-105-39-23-22-38-104(100)105)167(282)230-120(67-91(4)5)162(277)220-112(46-34-64-207-183(198)199)153(268)216-108(42-26-30-60-187)151(266)217-109(43-27-31-61-188)156(271)227-119(66-90(2)3)164(279)223-115(49-54-136(191)249)158(273)237-131(79-144(261)262)174(289)244-146(96(14)15)177(292)239-127(75-103-83-204-89-213-103)170(285)235-128(76-138(193)251)171(286)240-132(180(295)296)71-99-36-20-19-21-37-99/h19-23,36-39,80-83,87-98,106-134,145-147,209,246-247H,18,24-35,40-79,84-86,185-189H2,1-17H3,(H2,190,248)(H2,191,249)(H2,192,250)(H2,193,251)(H,202,211)(H,203,212)(H,204,213)(H,210,264)(H,214,252)(H,215,287)(H,216,268)(H,217,266)(H,218,269)(H,219,267)(H,220,277)(H,221,278)(H,222,270)(H,223,279)(H,224,283)(H,225,290)(H,226,294)(H,227,271)(H,228,272)(H,229,280)(H,230,282)(H,231,288)(H,232,275)(H,233,276)(H,234,281)(H,235,285)(H,236,274)(H,237,273)(H,238,284)(H,239,292)(H,240,286)(H,241,265)(H,242,293)(H,243,263)(H,244,289)(H,245,291)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,295,296)(H4,194,195,205)(H4,196,197,206)(H4,198,199,207)(H4,200,201,208)/t97-,98-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,145-,146-,147-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)O)C)CC(=O)O)CC(C)C)C(C)C)CC(C)C)CC(C)C)CCCCN)Cc1nc[nH]c1)CCSC)Cc1ccc(cc1)O)CO)CC(=O)N)CC(C)C)Cc1c[nH]c2c1cccc2)Cc1nc[nH]c1)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)CC(=O)O)CCC(=O)N)C(CC)C)CO)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(N)C)CO)CCC(=O)O)Cc1nc[nH]c1)CCC(=O)N)CC(C)C)CC(C)C)Cc1nc[nH]c1)CC(=O)O)CCCCN " . "CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O)C(C)C" . "VYFPXMRAKJBKGE-LJGPHQHBSA-N" . "InChI=1S/C196H315N61O53S/c1-24-104(20)157(256-188(304)145(90-260)251-160(276)117(40-28-31-58-198)224-150(265)87-218-159(275)116(39-27-30-57-197)225-183(299)141(80-153(270)271)249-181(297)138(77-112-86-213-94-222-112)245-173(289)129(68-98(8)9)236-171(287)128(67-97(6)7)235-165(281)122(50-53-147(201)262)230-179(295)136(75-110-84-211-92-220-110)243-167(283)124(52-55-151(266)267)231-186(302)144(89-259)253-190(306)155(102(16)17)254-158(274)105(21)200)191(307)233-123(51-54-148(202)263)166(282)247-142(81-154(272)273)184(300)238-126(65-95(2)3)170(286)229-120(43-34-61-215-195(206)207)162(278)226-119(42-33-60-214-194(204)205)161(277)227-121(44-35-62-216-196(208)209)164(280)242-137(76-111-85-212-93-221-111)180(296)241-134(73-108-82-217-115-38-26-25-37-114(108)115)177(293)237-130(69-99(10)11)174(290)246-139(78-149(203)264)182(298)252-143(88-258)187(303)240-133(72-107-46-48-113(261)49-47-107)176(292)232-125(56-64-311-23)168(284)244-135(74-109-83-210-91-219-109)178(294)228-118(41-29-32-59-199)163(279)234-127(66-96(4)5)172(288)239-132(71-101(14)15)185(301)255-156(103(18)19)189(305)250-131(70-100(12)13)175(291)248-140(79-152(268)269)169(285)223-106(22)192(308)257-63-36-45-146(257)193(309)310/h25-26,37-38,46-49,82-86,91-106,116-146,155-157,217,258-261H,24,27-36,39-45,50-81,87-90,197-200H2,1-23H3,(H2,201,262)(H2,202,263)(H2,203,264)(H,210,219)(H,211,220)(H,212,221)(H,213,222)(H,218,275)(H,223,285)(H,224,265)(H,225,299)(H,226,278)(H,227,277)(H,228,294)(H,229,286)(H,230,295)(H,231,302)(H,232,292)(H,233,307)(H,234,279)(H,235,281)(H,236,287)(H,237,293)(H,238,300)(H,239,288)(H,240,303)(H,241,296)(H,242,280)(H,243,283)(H,244,284)(H,245,289)(H,246,290)(H,247,282)(H,248,291)(H,249,297)(H,250,305)(H,251,276)(H,252,298)(H,253,306)(H,254,274)(H,255,301)(H,256,304)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,309,310)(H4,204,205,214)(H4,206,207,215)(H4,208,209,216)/t104-,105-,106-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,155-,156-,157-/m0/s1" . "OC1C(COP(=O)(OP(=O)(OC2OC(C(=O)O)C(C(C2O)O)O)O)O)OC(C1O)n1ccc(=O)[nH]c1=O" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(O[C@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O" . "HDYANYHVCAPMJV-LXQIFKJMSA-N" . "InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1" . "OCC1OC(OP(=O)(OP(=O)(OCC2OC(C(C2O)O)n2ccc(=O)[nH]c2=O)O)O)C(C(C1O)O)O" . "OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O" . "HSCJRCZFDFQWRP-JZMIEXBBSA-N" . "InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1" . "OCC1OC(OP(=O)(OP(=O)(OCC2OC(C(C2O)O)n2ccc(=O)[nH]c2=O)O)O)C(C(C1O)O)O" . "OC[C@H]1O[C@H](OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)[C@@H]([C@H]([C@H]1O)O)O" . "HSCJRCZFDFQWRP-ABVWGUQPSA-N" . "InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8+,9-,10+,11-,12-,13-,14-/m1/s1" . "CC(=O)NCCc1c(Cc2ccccc2)[nH]c2c1cccc2" . "CC(=O)NCCc1c(Cc2ccccc2)[nH]c2c1cccc2" . "WVVXBPKOIZGVNS-UHFFFAOYSA-N" . "InChI=1S/C19H20N2O/c1-14(22)20-12-11-17-16-9-5-6-10-18(16)21-19(17)13-15-7-3-2-4-8-15/h2-10,21H,11-13H2,1H3,(H,20,22)" . "CSc1nc(N)c2c(n1)n(cn2)C1OC(C(C1O)O)COP(=O)(OP(=O)(O)O)O" . "CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO[33P](=O)(O[33P](=O)(O)O)O" . "WLMZTKAZJUWXCB-JLOOSCHCSA-N" . "InChI=1S/C11H17N5O10P2S/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(25-10)2-24-28(22,23)26-27(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1/i27+2,28+2" . "Cl[Hg]c1ccc(cc1)S(=O)(=O)O" . "Cl[Hg]c1ccc(cc1)S(=O)(=O)O" . "XXEBDPRHFAWOND-UHFFFAOYSA-M" . "InChI=1S/C6H5O3S.ClH.Hg/c7-10(8,9)6-4-2-1-3-5-6;;/h2-5H,(H,7,8,9);1H;/q;;+1/p-1" . "COC(=O)C(c1ccccc1Cl)N1CCC(C(=CC(=O)O)C1)S" . "COC(=O)[C@H](c1ccccc1Cl)N1CCC(/C(=C/C(=O)O)/C1)S" . "CWUDNVCEAAXNQA-AWGNNQSZSA-N" . "InChI=1S/C16H18ClNO4S/c1-22-16(21)15(11-4-2-3-5-12(11)17)18-7-6-13(23)10(9-18)8-14(19)20/h2-5,8,13,15,23H,6-7,9H2,1H3,(H,19,20)/b10-8-/t13?,15-/m0/s1" . "OC(=O)C=C1CN(CCC1S)C(c1ccccc1F)C(=O)C1CC1" . "OC(=O)/C=C/1/CN(CCC1S)C(c1ccccc1F)C(=O)C1CC1" . "ZWUQVNSJSJHFPS-XFXZXTDPSA-N" . "InChI=1S/C18H20FNO3S/c19-14-4-2-1-3-13(14)17(18(23)11-5-6-11)20-8-7-15(24)12(10-20)9-16(21)22/h1-4,9,11,15,17,24H,5-8,10H2,(H,21,22)/b12-9-" . "CCNC(=O)Nc1ncnc2c1ncn2C1OC(C2C1OC(O2)C=Cc1ccccc1)COP(=O)(O)O" . "CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@@H]2[C@H]1O[C@H](O2)/C=C/c1ccccc1)COP(=O)(O)O" . "NXHAXEBZOXCDKD-XIXRRVGJSA-N" . "InChI=1S/C22H25N6O8P/c1-2-23-22(29)27-19-16-20(25-11-24-19)28(12-26-16)21-18-17(14(34-21)10-33-37(30,31)32)35-15(36-18)9-8-13-6-4-3-5-7-13/h3-9,11-12,14-15,17-18,21H,2,10H2,1H3,(H2,30,31,32)(H2,23,24,25,27,29)/b9-8+/t14-,15+,17-,18-,21-/m1/s1" . "O=C(c1ccccc1)Nc1ncnc2c1ncn2C1OC(C2C1OC(O2)Cc1ccccc1)COP(=O)(OP(=O)(O)O)O" . "O=C(c1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@@H]2[C@H]1O[C@@H](O2)Cc1ccccc1)COP(=O)(OP(=O)(O)O)O" . "VXEHVAOFCPIBTQ-XXXKQHFZSA-N" . "InChI=1S/C25H25N5O11P2/c31-24(16-9-5-2-6-10-16)29-22-19-23(27-13-26-22)30(14-28-19)25-21-20(39-18(40-21)11-15-7-3-1-4-8-15)17(38-25)12-37-43(35,36)41-42(32,33)34/h1-10,13-14,17-18,20-21,25H,11-12H2,(H,35,36)(H2,32,33,34)(H,26,27,29,31)/t17-,18-,20-,21-,25-/m1/s1" . "CCOC(=O)N1CCN(CC1)C(=O)C(NC(=O)c1nc2cc(C)ccc2c(c1)OC(C(=O)OCC)(C)C)CCC(=O)O" . "CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1nc2cc(C)ccc2c(c1)OC(C(=O)OCC)(C)C)CCC(=O)O" . "PHDMSNZRDFPYNQ-FQEVSTJZSA-N" . "InChI=1S/C29H38N4O9/c1-6-40-27(38)29(4,5)42-23-17-22(30-21-16-18(3)8-9-19(21)23)25(36)31-20(10-11-24(34)35)26(37)32-12-14-33(15-13-32)28(39)41-7-2/h8-9,16-17,20H,6-7,10-15H2,1-5H3,(H,31,36)(H,34,35)/t20-/m0/s1" . "CCOC(=O)N1CCN(CC1)C(=O)C(NC(=O)c1cc(OC(C(=O)O)(C)C)c2c(n1)cc(cc2)C)CCC(=O)O" . "CCOC(=O)N1CCN(CC1)C(=O)C(NC(=O)c1cc(OC(C(=O)O)(C)C)c2c(n1)cc(cc2)C)CCC(=O)O" . "MCBLPJPMVOVJCO-UHFFFAOYSA-N" . "InChI=1S/C27H34N4O9/c1-5-39-26(38)31-12-10-30(11-13-31)24(35)18(8-9-22(32)33)29-23(34)20-15-21(40-27(3,4)25(36)37)17-7-6-16(2)14-19(17)28-20/h6-7,14-15,18H,5,8-13H2,1-4H3,(H,29,34)(H,32,33)(H,36,37)" . "CCCSc1nc(NC2CC2c2ccc(c(c2)F)F)c2c(n1)n(nn2)C1CC(C(C1O)O)OCCO" . "CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO" . "OEKWJQXRCDYSHL-FNOIDJSQSA-N" . "InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1" . "CSc1nc(N)c2c(n1)n(cn2)C1OC(C(C1O)O)COP(=O)(O)O" . "CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(O)O" . "XVTFTCNRRAQHEQ-KQYNXXCUSA-N" . "InChI=1S/C11H16N5O7PS/c1-25-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(23-10)2-22-24(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1" . "CSc1nc(N)c2c(n1)n(cn2)C1OC(C(C1O)O)COP(=O)(OP(=O)(O)O)O" . "CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(O)O)O" . "WLMZTKAZJUWXCB-KQYNXXCUSA-N" . "InChI=1S/C11H17N5O10P2S/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(25-10)2-24-28(22,23)26-27(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1" . "NC(=NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1)N" . "NC(=NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1)N" . "RQQJJXVETXFINY-UHFFFAOYSA-N" . "InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)" . "[Na]OS(=O)(=O)c1cc(NC(=O)c2ccc(c(c2)NC(=O)Nc2cc(ccc2C)C(=O)Nc2cc(cc3c2cc(cc3)S(=O)(=O)O[Na])S(=O)(=O)O[Na])C)c2c(c1)ccc(c2)S(=O)(=O)O[Na]" . "[Na]OS(=O)(=O)c1cc(NC(=O)c2ccc(c(c2)NC(=O)Nc2cc(ccc2C)C(=O)Nc2cc(cc3c2cc(cc3)S(=O)(=O)O[Na])S(=O)(=O)O[Na])C)c2c(c1)ccc(c2)S(=O)(=O)O[Na]" . "SJMHXBFWMZYDBY-UHFFFAOYSA-J" . "InChI=1S/C37H30N4O15S4.4Na/c1-19-3-5-23(35(42)38-33-17-27(59(51,52)53)11-21-7-9-25(15-29(21)33)57(45,46)47)13-31(19)40-37(44)41-32-14-24(6-4-20(32)2)36(43)39-34-18-28(60(54,55)56)12-22-8-10-26(16-30(22)34)58(48,49)50;;;;/h3-18H,1-2H3,(H,38,42)(H,39,43)(H2,40,41,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4" . "O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O" . "O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1F)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O" . "UDVIAMRWOLIUAE-UHFFFAOYSA-N" . "InChI=1S/C49H34F2N6O23S6/c50-33-9-7-25(47(60)54-35-11-13-39(83(69,70)71)31-19-29(81(63,64)65)21-41(43(31)35)85(75,76)77)17-37(33)56-45(58)23-3-1-5-27(15-23)52-49(62)53-28-6-2-4-24(16-28)46(59)57-38-18-26(8-10-34(38)51)48(61)55-36-12-14-40(84(72,73)74)32-20-30(82(66,67)68)22-42(44(32)36)86(78,79)80/h1-22H,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)" . "OC1CC(OC1COP(=O)(OP(=O)(OP(=O)(O)O)O)O)n1cnc2c1ncnc2N" . "O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)(OP(=O)(O)O)O)O)n1cnc2c1ncnc2N" . "SUYVUBYJARFZHO-RRKCRQDMSA-N" . "InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1" . "OC1C(OC(=O)c2ccc(cc2)C(=O)c2ccccc2)C(OC1n1cnc2c1ncnc2N)COP(=O)(OP(=O)(OP(=O)(O)O)O)O" . "O[C@@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c2ccccc2)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)(OP(=O)(OP(=O)(O)O)O)O" . "AWJJLYZBWRIBCZ-UGTJMOTHSA-N" . "InChI=1S/C24H24N5O15P3/c25-21-17-22(27-11-26-21)29(12-28-17)23-19(31)20(16(41-23)10-40-46(36,37)44-47(38,39)43-45(33,34)35)42-24(32)15-8-6-14(7-9-15)18(30)13-4-2-1-3-5-13/h1-9,11-12,16,19-20,23,31H,10H2,(H,36,37)(H,38,39)(H2,25,26,27)(H2,33,34,35)/t16-,19-,20-,23-/m1/s1" . "CCCSc1nc(N)c2c(n1)n(cn2)C1OC(C(C1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O" . "CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O" . "ZLIAJZQKKBOFJR-WOUKDFQISA-N" . "InChI=1S/C14H22Cl2N5O12P3S/c1-2-3-37-13-19-10(17)7-11(20-13)21(5-18-7)12-9(23)8(22)6(32-12)4-31-36(29,30)33-35(27,28)14(15,16)34(24,25)26/h5-6,8-9,12,22-23H,2-4H2,1H3,(H,27,28)(H,29,30)(H2,17,19,20)(H2,24,25,26)/t6-,8-,9-,12-/m1/s1" . "OC1C(COP(=O)(OP(=S)(O)O)O)OC(C1O)n1cnc2c1ncnc2N" . "O[C@@H]1[C@@H](COP(=O)(OP(=S)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N" . "HCIKUKNAJRJFOW-KQYNXXCUSA-N" . "InChI=1S/C10H15N5O9P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(23-10)1-22-25(18,19)24-26(20,21)27/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H2,20,21,27)/t4-,6-,7-,10-/m1/s1" . "S=C=Nc1cccc(c1)NC(=S)NCCCCNC(=S)Nc1cccc(c1)N=C=S" . "S=C=Nc1cccc(c1)NC(=S)NCCCCNC(=S)Nc1cccc(c1)N=C=S" . "QOHNRGHTJPFMSL-UHFFFAOYSA-N" . "InChI=1S/C20H20N6S4/c27-13-23-15-5-3-7-17(11-15)25-19(29)21-9-1-2-10-22-20(30)26-18-8-4-6-16(12-18)24-14-28/h3-8,11-12H,1-2,9-10H2,(H2,21,25,29)(H2,22,26,30)" . "S=C=Nc1ccc(cc1)CCc1ccc(cc1)N=C=S" . "S=C=Nc1ccc(cc1)CCc1ccc(cc1)N=C=S" . "KGPFLJVFCCOOEO-UHFFFAOYSA-N" . "InChI=1S/C16H12N2S2/c19-11-17-15-7-3-13(4-8-15)1-2-14-5-9-16(10-6-14)18-12-20/h3-10H,1-2H2" . "OC1C(COP(=O)(OP(=O)(OP(=O)(OCC2OC(C(C2O)O)n2ccc(=O)[nH]c2=O)[O-])[O-])[O-])OC(C1O)n1ccc(=O)[nH]c1=O" . "O[C@@H]1[C@H](COP(=O)(OP(=O)(OP(=O)(OC[C@H]2O[C@H](C([C@H]2O)O)n2ccc(=O)[nH]c2=O)[O-])[O-])[O-])O[C@H](C1O)n1ccc(=O)[nH]c1=O" . "JPNWHMPVXHYIKN-VRXVDWQRSA-K" . "InChI=1S/C18H25N4O20P3/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(39-15)5-37-43(31,32)41-45(35,36)42-44(33,34)38-6-8-12(26)14(28)16(40-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,19,23,29)(H,20,24,30)/p-3/t7-,8+,11+,12-,13?,14?,15-,16-/m1/s1" . "OC1C(COP(=O)(OP(=S)(O)O)O)OC(C1O)n1ccc(=O)[nH]c1=O" . "O[C@@H]1[C@@H](COP(=O)(OP(=S)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O" . "HFPQTPQWHHTLHT-XVFCMESISA-N" . "InChI=1S/C9H14N2O11P2S/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(21-8)3-20-23(16,17)22-24(18,19)25/h1-2,4,6-8,13-14H,3H2,(H,16,17)(H,10,12,15)(H2,18,19,25)/t4-,6-,7-,8-/m1/s1" . "OC1C(COP(=O)(OP(=O)(O)O)O)OC(C1O)n1ccc(=O)[nH]c1=O" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O" . "XCCTYIAWTASOJW-XVFCMESISA-N" . "InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1" . "OC1C(COP(=O)(CP(=O)(O)O)O)OC(C1O)n1ccc(=O)[nH]c1=O" . "O[C@@H]1[C@@H](COP(=O)(CP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O" . "PDEGDTTUBZXACY-ZOQUXTDFSA-N" . "InChI=1S/C10H16N2O11P2/c13-6-1-2-12(10(16)11-6)9-8(15)7(14)5(23-9)3-22-25(20,21)4-24(17,18)19/h1-2,5,7-9,14-15H,3-4H2,(H,20,21)(H,11,13,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1" . "OC1C(COP(=O)(OP(=O)(O)O)O)OC(C1O)n1c(I)cc(=O)[nH]c1=O" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1c(I)cc(=O)[nH]c1=O" . "ZPKIYZBENSTKTC-YXZULKJRSA-N" . "InChI=1S/C9H13IN2O12P2/c10-4-1-5(13)11-9(16)12(4)8-7(15)6(14)3(23-8)2-22-26(20,21)24-25(17,18)19/h1,3,6-8,14-15H,2H2,(H,20,21)(H,11,13,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1" . "CC(C[N+](C)(C)C)OC(=O)N" . "CC(C[N+](C)(C)C)OC(=O)N" . "NZUPCNDJBJXXRF-UHFFFAOYSA-O" . "InChI=1S/C7H16N2O2/c1-6(11-7(8)10)5-9(2,3)4/h6H,5H2,1-4H3,(H-,8,10)/p+1" . "O=c1ccn(c(=O)[nH]1)C1OC(C2C1OC(O2)Cc1ccccc1)COP(=O)(OP(=O)(OP(=O)(OCC1OC(C(C1O)O)n1ccc(=O)[nH]c1=O)O)O)O" . "O=c1ccn(c(=O)[nH]1)[C@@H]1O[C@@H]([C@@H]2[C@H]1OC(O2)Cc1ccccc1)COP(=O)(OP(=O)(OP(=O)(OC[C@@H]1O[C@@H]([C@H]([C@H]1O)O)n1ccc(=O)[nH]c1=O)O)O)O" . "FIZCPSOYGRAJHH-LAJHJGSGSA-N" . "InChI=1S/C26H31N4O20P3/c31-16-6-8-29(25(35)27-16)23-20(34)19(33)14(45-23)11-43-51(37,38)49-53(41,42)50-52(39,40)44-12-15-21-22(24(46-15)30-9-7-17(32)28-26(30)36)48-18(47-21)10-13-4-2-1-3-5-13/h1-9,14-15,18-24,33-34H,10-12H2,(H,37,38)(H,39,40)(H,41,42)(H,27,31,35)(H,28,32,36)/t14-,15+,18?,19-,20-,21+,22+,23-,24+/m0/s1" . "OC1C(O)C(OC1n1ccc(=O)n(c1=O)CC(=O)c1ccccc1)COP(=O)(OP(=O)(O)O)O" . "O[C@@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)n(c1=O)CC(=O)c1ccccc1)COP(=O)(OP(=O)(O)O)O" . "SEUHNFHNNANEAJ-DTZQCDIJSA-N" . "InChI=1S/C17H20N2O13P2/c20-11(10-4-2-1-3-5-10)8-19-13(21)6-7-18(17(19)24)16-15(23)14(22)12(31-16)9-30-34(28,29)32-33(25,26)27/h1-7,12,14-16,22-23H,8-9H2,(H,28,29)(H2,25,26,27)/t12-,14-,15-,16-/m1/s1" . "OC1C(COP(=O)(OP(=O)(OP(=O)(O)O)O)O)OC(C1O)n1cnc2c1[nH]cnc2=O" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1[nH]cnc2=O" . "HAEJPQIATWHALX-KQYNXXCUSA-N" . "InChI=1S/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1" . "OC1C(COP(=O)(OP(=O)(OP(=O)(O)O)O)O)OC(C1O)n1cnc2c1[nH]c(N)nc2=O" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(N)nc2=O" . "XKMLYUALXHKNFT-UUOKFMHZSA-N" . "InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1" . "OC1C(COP(=O)(OP(=O)(OP(=O)(O)O)O)O)OC(C1O)n1ccc(nc1=O)N" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1ccc(nc1=O)N" . "PCDQPRRSZKQHHS-XVFCMESISA-N" . "InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1" . "OC1C(n2ccc(=O)[nH]c2=O)C2C(C1O)(C2)COP(=O)(OP(=O)(OP(=O)(O)O)O)O" . "OC1C(n2ccc(=O)[nH]c2=O)C2C(C1O)(C2)COP(=O)(OP(=O)(OP(=O)(O)O)O)O" . "XWFVJTIKQWQNID-UHFFFAOYSA-N" . "InChI=1S/C11H17N2O14P3/c14-6-1-2-13(10(17)12-6)7-5-3-11(5,9(16)8(7)15)4-25-29(21,22)27-30(23,24)26-28(18,19)20/h1-2,5,7-9,15-16H,3-4H2,(H,21,22)(H,23,24)(H,12,14,17)(H2,18,19,20)" . "OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1" . "OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1" . "JQYMGXZJTCOARG-UHFFFAOYSA-N" . "InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)" . "Clc1ccc2c(c1)C=Cc1c(C2c2cn(C)c(=O)[nH]c2=S)ncs1" . "Clc1ccc2c(c1)C=Cc1c(C2c2cn(C)c(=O)[nH]c2=S)ncs1" . "ZDHQVQVNOIWLNX-UHFFFAOYSA-N" . "InChI=1S/C17H12ClN3OS2/c1-21-7-12(16(23)20-17(21)22)14-11-4-3-10(18)6-9(11)2-5-13-15(14)19-8-24-13/h2-8,14H,1H3,(H,20,22,23)" . "Nc1ccn(c(=O)n1)C1OC(C(C1)O)COP(=O)(OP(=O)(OP(=O)(OP(=O)(OCC1OC(C(C1O)O)n1ccc(=O)[nH]c1=O)O)O)O)O" . "Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@H](C1)O)COP(=O)(OP(=O)(OP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(=O)[nH]c1=O)O)O)O)O" . "FPNPSEMJLALQSA-MIYUEGBISA-N" . "InChI=1S/C18H27N5O21P4/c19-11-1-3-22(17(28)20-11)13-5-8(24)9(40-13)6-38-45(30,31)42-47(34,35)44-48(36,37)43-46(32,33)39-7-10-14(26)15(27)16(41-10)23-4-2-12(25)21-18(23)29/h1-4,8-10,13-16,24,26-27H,5-7H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H2,19,20,28)(H,21,25,29)/t8-,9+,10+,13+,14+,15+,16+/m0/s1" . "O=Cc1c(COP(=O)(O)O)c(N=Nc2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)nc(c1O)C" . "O=Cc1c(COP(=O)(O)O)c(/N=N/c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)nc(c1O)C" . "PNFZSRRRZNXSMF-WUKNDPDISA-N" . "InChI=1S/C14H14N3O12PS2/c1-7-13(19)9(5-18)10(6-29-30(20,21)22)14(15-7)17-16-11-3-2-8(31(23,24)25)4-12(11)32(26,27)28/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)/b17-16+" . "OC1C(COP(=O)(OP(=O)(OP(=O)(OP(=O)(OCC2OC(C(C2O)O)n2ccc(=O)[nH]c2=O)O)O)O)O)OC(C1O)n1ccc(=O)[nH]c1=O" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2ccc(=O)[nH]c2=O)O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O" . "NMLMACJWHPHKGR-NCOIDOBVSA-N" . "InChI=1S/C18H26N4O23P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1" . "O=C(N(C1CCC2(CC1N1CCCC1)CCCO2)C)Cc1ccccc1" . "O=C(N([C@H]1CC[C@]2(C[C@@H]1N1CCCC1)CCCO2)C)Cc1ccccc1" . "PGZRDDYTKFZSFR-ONTIZHBOSA-N" . "InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1" . "OC1C(COP(=O)(OP(=O)(OP(=S)(O)O)O)O)OC(C1O)n1ccc(=O)[nH]c1=O" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=S)(O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O" . "DUDALCZPYHIGIR-XVFCMESISA-N" . "InChI=1S/C9H15N2O14P3S/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(23-8)3-22-26(16,17)24-27(18,19)25-28(20,21)29/h1-2,4,6-8,13-14H,3H2,(H,16,17)(H,18,19)(H,10,12,15)(H2,20,21,29)/t4-,6-,7-,8-/m1/s1" . "OC1C(COP(=O)(OP(=O)(OP(=O)(O)O)O)O)OC(C1O)n1ccc(=O)[nH]c1=O" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O" . "PGAVKCOVUIYSFO-XVFCMESISA-N" . "InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1" . "OC1C(COP(=O)(OP(=O)(OP(=O)(O)O)O)O)OC(C1N)n1ccc(=O)[nH]c1=S" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1N)n1ccc(=O)[nH]c1=S" . "UWTUUIWWVPWHAA-XVFCMESISA-N" . "InChI=1S/C9H16N3O13P3S/c10-6-7(14)4(23-8(6)12-2-1-5(13)11-9(12)29)3-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,4,6-8,14H,3,10H2,(H,18,19)(H,20,21)(H,11,13,29)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1" . "OC1C(COP(=O)(OP(=O)(OP(=O)(OP(=O)(OCC2OC(C(C2O)O)n2cnc3c2ncnc3N)[O-])[O-])[O-])[O-])OC(C1O)n1cnc2c1ncnc2N" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2cnc3c2ncnc3N)[O-])[O-])[O-])[O-])O[C@H]([C@@H]1O)n1cnc2c1ncnc2N" . "YOAHKNVSNCMZGQ-XPWFQUROSA-J" . "InChI=1S/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26)/p-4/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1" . "OC1C(COP(=O)(OP(=O)(OP(=O)(O)O)O)O)OC(C1O)n1cc(Br)c(=O)[nH]c1=O" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cc(Br)c(=O)[nH]c1=O" . "IWFHOSULCAJGRM-UAKXSSHOSA-N" . "InChI=1S/C9H14BrN2O15P3/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(25-8)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h1,4-6,8,13-14H,2H2,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1" . "OC1C(COP(=O)(OP(=O)(OP(=O)(O)O)O)O)OC(C1O)n1ccc(=S)[nH]c1=O" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1ccc(=S)[nH]c1=O" . "GKVHYBAWZAYQDO-XVFCMESISA-N" . "InChI=1S/C9H15N2O14P3S/c12-6-4(3-22-27(18,19)25-28(20,21)24-26(15,16)17)23-8(7(6)13)11-2-1-5(29)10-9(11)14/h1-2,4,6-8,12-13H,3H2,(H,18,19)(H,20,21)(H,10,14,29)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1" . "[O-][N+]1=C(c2ccccn2)C(=O)c2c1cccc2.Cc1ccc(cc1)S(=O)(=O)O" . "[O-][N+]1=C(c2ccccn2)C(=O)c2c1cccc2.Cc1ccc(cc1)S(=O)(=O)O" . "MMPTYEXNPWSTOR-UHFFFAOYSA-N" . "InChI=1S/C13H8N2O2.C7H8O3S/c16-13-9-5-1-2-7-11(9)15(17)12(13)10-6-3-4-8-14-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-8H;2-5H,1H3,(H,8,9,10)" . "O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O" . "O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O" . "FIAFUQMPZJWCLV-UHFFFAOYSA-N" . "InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)" . "CNc1nc(Cl)nc2c1ncn2CC1CC(C(C1)COP(=O)(O)O)OP(=O)(O)O" . "CNc1nc(Cl)nc2c1ncn2C[C@H]1C[C@@H]([C@H](C1)COP(=O)(O)O)OP(=O)(O)O" . "LPZJKPSGEADHTQ-HLTSFMKQSA-N" . "InChI=1S/C13H20ClN5O8P2/c1-15-11-10-12(18-13(14)17-11)19(6-16-10)4-7-2-8(5-26-28(20,21)22)9(3-7)27-29(23,24)25/h6-9H,2-5H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t7-,8-,9+/m1/s1" . "CNc1nc(I)nc2c1ncn2C1CC(C2(C1C2)COP(=O)(O)O)OP(=O)(O)O" . "CNc1nc(I)nc2c1ncn2[C@H]1C[C@@H]([C@]2([C@@H]1C2)CO[32P](=O)(O)O)OP(=O)(O)O" . "NMVWLEUONAKGCD-PNGSNQAVSA-N" . "InChI=1S/C13H18IN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8+,13+/m1/s1/i28+1" . "CNc1nc(I)nc2c1ncn2C1CC(C2(C1C2)COP(=O)(O)O)OP(=O)(O)O" . "CNc1nc(I)nc2c1ncn2[C@H]1C[C@@H]([C@]2([C@@H]1C2)COP(=O)(O)O)OP(=O)(O)O" . "NMVWLEUONAKGCD-SMWKGLLFSA-N" . "InChI=1S/C13H18IN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8+,13+/m1/s1" . "CNc1nc(Cl)nc2c1ncn2CC(CP(=O)(O)O)CP(=O)(O)O" . "CNc1nc(Cl)nc2c1ncn2CC(CP(=O)(O)O)CP(=O)(O)O" . "FFBIISIICFTESN-UHFFFAOYSA-N" . "InChI=1S/C10H16ClN5O6P2/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-23(17,18)19)4-24(20,21)22/h5-6H,2-4H2,1H3,(H,12,14,15)(H2,17,18,19)(H2,20,21,22)" . "CNc1nc(Cl)nc2c1ncn2CC(COP(=O)(O)O)COP(=O)(O)O" . "CNc1nc(Cl)nc2c1ncn2CC(COP(=O)(O)O)COP(=O)(O)O" . "GMCUIIHBWNOHIM-UHFFFAOYSA-N" . "InChI=1S/C10H16ClN5O8P2/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-23-25(17,18)19)4-24-26(20,21)22/h5-6H,2-4H2,1H3,(H,12,14,15)(H2,17,18,19)(H2,20,21,22)" . "CNc1nc(Cl)nc2c1ncn2CC1CC(C(C1)COP(=O)(O)O)OP(=O)(O)O" . "CNc1nc(Cl)nc2c1ncn2C[C@H]1C[C@@H]([C@H](C1)COP(=O)(O)O)OP(=O)(O)O" . "LPZJKPSGEADHTQ-HLTSFMKQSA-N" . "InChI=1S/C13H20ClN5O8P2/c1-15-11-10-12(18-13(14)17-11)19(6-16-10)4-7-2-8(5-26-28(20,21)22)9(3-7)27-29(23,24)25/h6-9H,2-5H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t7-,8-,9+/m1/s1" . "CNc1ncnc2c1ncn2C1CC(C(O1)COP(=O)(O)[O-])OP(=O)(O)[O-]" . "CNc1ncnc2c1ncn2[C@H]1C[C@@H]([C@H](O1)COP(=O)(O)[O-])OP(=O)(O)[O-]" . "CCPLITQNIFLYQB-XLPZGREQSA-L" . "InChI=1S/C11H17N5O9P2/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(25-27(20,21)22)7(24-8)3-23-26(17,18)19/h4-8H,2-3H2,1H3,(H,12,13,14)(H2,17,18,19)(H2,20,21,22)/p-2/t6-,7+,8+/m0/s1" . "OC1C(OP(=O)(O)O)C(OC1n1cnc2c1ncnc2N)COP(=O)(OS(=O)(=O)O)O" . "O[C@@H]1[C@H](OP(=O)(O)O)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)(OS(=O)(=O)O)O" . "GACDQMDRPRGCTN-KQYNXXCUSA-N" . "InChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1" . "OC1C(OP(=O)(O)O)C(OC1n1cnc2c1ncnc2N)COP(=O)(O)O" . "O[C@@H]1[C@H](OP(=O)(O)O)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)(O)O" . "WHTCPDAXWFLDIH-KQYNXXCUSA-N" . "InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1" . "OC1C(COP(=O)(O)O)OC(C1OP(=O)(O)O)n1cnc2c1ncnc2N" . "O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H]([C@@H]1OP(=O)(O)O)n1cnc2c1ncnc2N" . "AEOBEOJCBAYXBA-KQYNXXCUSA-N" . "InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(25-27(20,21)22)6(16)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1" . "OC1C(COP(=O)(OP(=O)(OP(=O)(O)O)O)O)OC(C1O)n1cnc2c1nc(Cl)nc2N" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1nc(Cl)nc2N" . "RNGCVFCOKZEZFL-UUOKFMHZSA-N" . "InChI=1S/C10H15ClN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1" . "OC1CC(OC1COP(=S)(OP(=O)(OP(=O)(O)O)O)O)n1cnc2c1ncnc2N" . "O[C@H]1C[C@@H](O[C@@H]1COP(=S)(OP(=O)(OP(=O)(O)O)O)O)n1cnc2c1ncnc2N" . "CCPIKNHZOWQALM-DLQJRSQOSA-N" . "InChI=1S/C10H16N5O11P3S/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(24-7)2-23-29(22,30)26-28(20,21)25-27(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,30)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+,29?/m0/s1" . "OC1C(COP(=O)(OP(=O)(OP(=S)([O-])[O-])[O-])[O-])OC(C1O)n1cnc2c1ncnc2N" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=S)([O-])[O-])[O-])[O-])O[C@H]([C@@H]1O)n1cnc2c1ncnc2N" . "NLTUCYMLOPLUHL-KQYNXXCUSA-J" . "InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/p-4/t4-,6-,7-,10-/m1/s1" . "OC1C(COP(=O)(OP(=O)(OP(=O)(O)O)O)O)OC(C1O)n1cnc2c1ncnc2N" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N" . "ZKHQWZAMYRWXGA-KQYNXXCUSA-N" . "InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1" . "OC1C(COP(=O)(OP(=O)(O)O)O)OC(C1O)n1cnc2c1ncnc2N" . "O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N" . "XTWYTFMLZFPYCI-KQYNXXCUSA-N" . "InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1" . "CSc1nc(N)c2c(n1)n(cn2)C1OC(C(C1O)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O" . "CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O" . "XNOBOKJVOTYSJV-KQYNXXCUSA-N" . "InChI=1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1" . "CSc1nc(N)c2c(n1)n(cn2)C1OC(C(C1O)O)COP(=O)(OP(=O)(O)O)O" . "CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(O)O)O" . "WLMZTKAZJUWXCB-KQYNXXCUSA-N" . "InChI=1S/C11H17N5O10P2S/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(25-10)2-24-28(22,23)26-27(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1" . "CCCCc1cc(n[nH]1)C(=O)O" . "CCCCc1cc(n[nH]1)C(=O)O" . "ZJTXSGLJNBAMJS-UHFFFAOYSA-N" . "InChI=1S/C8H12N2O2/c1-2-3-4-6-5-7(8(11)12)10-9-6/h5H,2-4H2,1H3,(H,9,10)(H,11,12)" . "Nc1ncnc2c1ncn2C1CCC(O1)COP(=O)(OP(=O)(OP(=O)(O)O)O)O" . "Nc1ncnc2c1ncn2[C@H]1CC[C@H](O1)COP(=O)(OP(=O)(OP(=O)(O)O)O)O" . "OAKPWEUQDVLTCN-NKWVEPMBSA-N" . "InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1" . "Cc1sc(c(n1)C(=O)N1CCCC1Cc1nnc(o1)c1ccccc1)c1ccccc1F" . "Cc1nc(c(s1)c1ccccc1F)C(=O)N1CCC[C@H]1Cc1nnc(o1)c1c([3H])cccc1[3H]" . "HYBZWVLPALMACV-JQGZANCBSA-N" . "InChI=1S/C24H21FN4O2S/c1-15-26-21(22(32-15)18-11-5-6-12-19(18)25)24(30)29-13-7-10-17(29)14-20-27-28-23(31-20)16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-14H2,1H3/t17-/m0/s1/i8T,9T" . "O=C(Nc1ccnc2c1c(F)ccc2F)Nc1ccc(cc1)N(C)C" . "O=C(Nc1ccnc2c1c(F)ccc2F)Nc1ccc(cc1)N(C)C" . "AZFKSWSBVCFBCG-UHFFFAOYSA-N" . "InChI=1S/C18H16F2N4O/c1-24(2)12-5-3-11(4-6-12)22-18(25)23-15-9-10-21-17-14(20)8-7-13(19)16(15)17/h3-10H,1-2H3,(H2,21,22,23,25)" . "O=C(Nc1cc(C)nc2c1cc(F)cc2F)Nc1ccc(cc1)N(C)C" . "O=C(Nc1cc(C)nc2c1cc(F)cc2F)Nc1ccc(cc1)N(C)C" . "JTARFZSNUAGHRB-UHFFFAOYSA-N" . "InChI=1S/C19H18F2N4O/c1-11-8-17(15-9-12(20)10-16(21)18(15)22-11)24-19(26)23-13-4-6-14(7-5-13)25(2)3/h4-10H,1-3H3,(H2,22,23,24,26)" . "O=C(Nc1ccnc2c1nccc2)Nc1ccc2c(c1)oc(n2)C" . "O=C(Nc1ccnc2c1nccc2)Nc1ccc2c(c1)oc(n2)C" . "AKMNUCBQGHFICM-UHFFFAOYSA-N" . "InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23)" . "O=C(Nc1ccccc1Br)NC1COC(OC1c1ccccc1)(C)C" . "O=C(Nc1ccccc1Br)N[C@H]1COC(O[C@H]1c1ccccc1)(C)C" . "ZVELNGXIEZFZIB-IRXDYDNUSA-N" . "InChI=1S/C19H21BrN2O3/c1-19(2)24-12-16(17(25-19)13-8-4-3-5-9-13)22-18(23)21-15-11-7-6-10-14(15)20/h3-11,16-17H,12H2,1-2H3,(H2,21,22,23)/t16-,17-/m0/s1" . "O=C(Nc1ccc(cc1Br)Br)NC1COC(OC1c1ccccc1)(C)C" . "O=C(Nc1ccc(cc1Br)Br)N[C@H]1COC(O[C@H]1c1ccccc1)(C)C" . "RBKIJGLHFFQHBE-IRXDYDNUSA-N" . "InChI=1S/C19H20Br2N2O3/c1-19(2)25-11-16(17(26-19)12-6-4-3-5-7-12)23-18(24)22-15-9-8-13(20)10-14(15)21/h3-10,16-17H,11H2,1-2H3,(H2,22,23,24)/t16-,17-/m0/s1" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)N)CCCN=C(N)N)CO)CC(C)C)CCC(=O)N)CCCN=C(N)N)CC(C)C)CCC(=O)N)CCCN=C(N)N)CC(C)C)CC(C)C)CCC(=O)N)C)CO)CC(=O)N)Cc1nc[nH]c1)C)C)C(CC)C)CC(C)C)C(O)C)N" . "CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCN=C(N)N)CO)CC(C)C)CCC(=O)N)CCCN=C(N)N)CC(C)C)CCC(=O)N)CCCN=C(N)N)CC(C)C)CC(C)C)CCC(=O)N)C)CO)CC(=O)N)Cc1nc[nH]c1)C)C)[C@H](CC)C)CC(C)C)[C@H](O)C)N" . "OHOWSYIKESXDMN-WMQZXSDYSA-N" . "InChI=1S/C123H212N44O35S/c1-18-63(12)96(164-114(196)80(46-62(10)11)163-119(201)97(67(16)170)165-102(184)69(124)35-41-203-17)118(200)143-50-91(175)146-64(13)99(181)147-65(14)101(183)157-81(47-68-49-136-57-145-68)113(195)162-82(48-90(128)174)105(187)141-52-93(177)150-83(55-168)115(197)148-66(15)100(182)153-74(30-33-88(126)172)108(190)160-79(45-61(8)9)112(194)161-78(44-60(6)7)111(193)155-72(26-21-38-139-123(134)135)106(188)156-75(31-34-89(127)173)109(191)159-77(43-59(4)5)110(192)154-71(25-20-37-138-122(132)133)103(185)140-51-92(176)149-73(29-32-87(125)171)107(189)158-76(42-58(2)3)104(186)144-54-95(179)166-39-23-28-86(166)120(202)167-40-22-27-85(167)117(199)142-53-94(178)151-84(56-169)116(198)152-70(98(129)180)24-19-36-137-121(130)131/h49,57-67,69-86,96-97,168-170H,18-48,50-56,124H2,1-17H3,(H2,125,171)(H2,126,172)(H2,127,173)(H2,128,174)(H2,129,180)(H,136,145)(H,140,185)(H,141,187)(H,142,199)(H,143,200)(H,144,186)(H,146,175)(H,147,181)(H,148,197)(H,149,176)(H,150,177)(H,151,178)(H,152,198)(H,153,182)(H,154,192)(H,155,193)(H,156,188)(H,157,183)(H,158,189)(H,159,191)(H,160,190)(H,161,194)(H,162,195)(H,163,201)(H,164,196)(H,165,184)(H4,130,131,137)(H4,132,133,138)(H4,134,135,139)/t63-,64-,65-,66-,67+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,96-,97-/m0/s1" . "CC(=O)NC(C(=O)NC(C(=O)NC1CCC2N(C1=O)C(CS2)C(=O)NC(C(=O)NC(C(=O)N)Cc1ccc(cc1)Cl)CCCN=C(N)N)CC1CCCCC1)CCCN=C(N)N" . "CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1CCC2N(C1=O)[C@H](CS2)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N)Cc1ccc(cc1)Cl)CCCN=C(N)N)CC1CCCCC1)CCCN=C(N)N" . "TVMPRXGFXMXJRH-DLYPAOLNSA-N" . "InChI=1S/C40H62ClN13O7S/c1-22(55)49-26(9-5-17-47-39(43)44)34(57)53-30(20-23-7-3-2-4-8-23)36(59)51-28-15-16-32-54(38(28)61)31(21-62-32)37(60)50-27(10-6-18-48-40(45)46)35(58)52-29(33(42)56)19-24-11-13-25(41)14-12-24/h11-14,23,26-32H,2-10,15-21H2,1H3,(H2,42,56)(H,49,55)(H,50,60)(H,51,59)(H,52,58)(H,53,57)(H4,43,44,47)(H4,45,46,48)/t26-,27+,28+,29+,30-,31+,32?/m0/s1" . "C=CCN1CCC23C4(C1Cc1c3c(OC2C(=O)CC4)c(cc1)O)O" . "C=CCN1CC[C@@]23[C@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O" . "UZHSEJADLWPNLE-FCLVOEFKSA-N" . "InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19+/m1/s1" . "O=C(c1ccsc1)NCC1CN=C(c2c(N1C)cccc2)c1ccccc1F" . "O=C(c1ccsc1)NCC1CN=C(c2c(N1C)cccc2)c1ccccc1F" . "NPGABYHTDVGGJK-UHFFFAOYSA-N" . "InChI=1S/C22H20FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16H,12-13H2,1H3,(H,25,27)" . "COC(=O)C1CC(OC(=O)C)C(=O)C2C1(C)CCC1C2(C)CC(OC1=O)c1cocc1" . "COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1" . "OBSYBRPAKCASQB-AGQYDFLVSA-N" . "InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1" . "OC1CCC2(C34C1Oc1c4c(CC2N(CC3)CC2CCC2)ccc1O)O" . "O[C@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CCC2)ccc1O)O" . "NETZHAKZCGBWSS-CEDHKZHLSA-N" . "InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15-,16+,19-,20-,21+/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CCCCN)CCCN=C(N)N)CCCCN)CCCN=C(N)N)C)CO)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(C(O)C)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)C)CCCN=C(N)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCCN)CCCN=C(N)N)CCCCN)CCCN=C(N)N)C)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)C)CCCN=C(N)N" . "JEXLNFNIIVBCHM-OSMJMQRHSA-N" . "InChI=1S/C73H124N28O17/c1-42(91-57(106)40-90-70(118)59(44(3)103)101-68(116)53(35-45-19-6-4-7-20-45)93-58(107)39-89-56(105)38-88-55(104)37-84-36-46-21-8-5-9-22-46)61(109)95-50(26-16-32-85-71(78)79)65(113)98-49(25-12-15-31-76)67(115)100-54(41-102)69(117)92-43(2)62(110)96-51(27-17-33-86-72(80)81)66(114)97-48(24-11-14-30-75)64(112)99-52(28-18-34-87-73(82)83)63(111)94-47(60(77)108)23-10-13-29-74/h4-9,19-22,42-44,47-54,59,84,102-103H,10-18,23-41,74-76H2,1-3H3,(H2,77,108)(H,88,104)(H,89,105)(H,90,118)(H,91,106)(H,92,117)(H,93,107)(H,94,111)(H,95,109)(H,96,110)(H,97,114)(H,98,113)(H,99,112)(H,100,115)(H,101,116)(H4,78,79,85)(H4,80,81,86)(H4,82,83,87)/t42-,43-,44+,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1" . "OC1CC(CCc2c1cccc2C)CN1CCC(CC1)c1c(Cl)cccc1Cl" . "O[C@H]1C[C@H](CCc2c1cccc2C)CN1CCC(CC1)c1c(Cl)cccc1Cl" . "OHRDCQFCAWLDBP-SBUREZEXSA-N" . "InChI=1S/C24H29Cl2NO/c1-16-4-2-5-20-19(16)9-8-17(14-23(20)28)15-27-12-10-18(11-13-27)24-21(25)6-3-7-22(24)26/h2-7,17-18,23,28H,8-15H2,1H3/t17-,23-/m0/s1" . "CCc1ccc(cc1)OCc1ccccc1C(=O)Nc1ccc2c(c1)c(N)cc(n2)C" . "CCc1ccc(cc1)OCc1ccccc1C(=O)Nc1ccc2c(c1)c(N)cc(n2)C" . "VTGBZWHPJFMTKS-UHFFFAOYSA-N" . "InChI=1S/C26H25N3O2/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30)" . "OCC1CN(CCC1n1c(=O)n(c2c1cccc2)CC)CC1CCCCCCC1" . "OC[C@@H]1CN(CC[C@H]1n1c(=O)n(c2c1cccc2)CC)CC1CCCCCCC1" . "MBGVUMXBUGIIBQ-LEWJYISDSA-N" . "InChI=1S/C24H37N3O2/c1-2-26-22-12-8-9-13-23(22)27(24(26)29)21-14-15-25(17-20(21)18-28)16-19-10-6-4-3-5-7-11-19/h8-9,12-13,19-21,28H,2-7,10-11,14-18H2,1H3/t20-,21+/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCC(=O)N)CC(=O)N)C)CC(C)C)CCCCN)CCCN=C(N)N)C)CO)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(C(O)C)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(Cc1ccccc1)N)C)CCCN=C(N)N " . "CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O" . "PULGYDLMFSFVBL-SMFNREODSA-N" . "InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1" . "O=C1NCN(C21CCN(CC2)C1CCC2c3c1cccc3CCC2)c1ccccc1" . "O=C1NCN(C21CCN(CC2)[C@H]1CC[C@H]2c3c1cccc3CCC2)c1ccccc1" . "JLFMYEAXZNPWBK-REWPJTCUSA-N" . "InChI=1S/C26H31N3O/c30-25-26(29(18-27-25)21-9-2-1-3-10-21)14-16-28(17-15-26)23-13-12-20-7-4-6-19-8-5-11-22(23)24(19)20/h1-3,5,8-11,20,23H,4,6-7,12-18H2,(H,27,30)/t20-,23-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CCCCN)CCCN=C(N)N)C)CO)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(C(O)C)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(Cc1ccccc1)N)C)CCCN=C(N)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCCN)CCCN=C(N)N)C)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)N)C)CCCN=C(N)N" . "RHMALYOXPBRJBG-CGUXNFSNSA-N" . "InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1" . "C=CCN1CCC23C4(C1Cc1c3c(OC2C(=NNC(=O)c2ccccc2)CC4)c(cc1)O)O" . "C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2/C(=N/NC(=O)c2ccccc2)/CC4)c(cc1)O)O" . "AKXCFAYOTIEFOH-XTNAHFASSA-N" . "InChI=1S/C26H27N3O4/c1-2-13-29-14-12-25-21-17-8-9-19(30)22(21)33-23(25)18(10-11-26(25,32)20(29)15-17)27-28-24(31)16-6-4-3-5-7-16/h2-9,20,23,30,32H,1,10-15H2,(H,28,31)/b27-18+/t20-,23+,25+,26-/m1/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCC(=O)N)CC(=O)N)C)CC(C)C)CCCCN)CCCNC(=N)N)C)CO)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(C(O)C)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(Cc1ccccc1)N)C)CCCNC(=N)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)CC(=O)N)C)CC(C)C)CCCCN)CCCNC(=N)N)C)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)N)C)CCCNC(=N)N" . "PULGYDLMFSFVBL-SMFNREODSA-N" . "InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1" . "NCCCCC(C(=O)N)NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCN=C(N)N)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CCCN=C(N)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CCCCN)C(N)=O" . "WBBBVZGQADABSU-RERZDIOCSA-N" . "InChI=1S/C44H70N14O9/c1-4-25(2)36(42(67)54-31(37(46)62)9-5-6-20-45)58-39(64)33(11-8-22-52-44(49)50)55-40(65)34(23-27-12-16-29(60)17-13-27)57-41(66)35(24-28-14-18-30(61)19-15-28)56-38(63)32(53-26(3)59)10-7-21-51-43(47)48/h12-19,25,31-36,60-61H,4-11,20-24,45H2,1-3H3,(H2,46,62)(H,53,59)(H,54,67)(H,55,65)(H,56,63)(H,57,66)(H,58,64)(H4,47,48,51)(H4,49,50,52)/t25-,31-,32-,33-,34-,35-,36-/m0/s1" . "C=CCN1CCC23C4(C1Cc1c3c(OC2C(=NN=C2CCC3(C56C2Oc2c6c(CC3N(CC5)CC=C)ccc2O)O)CC4)c(cc1)O)O" . "C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2/C(=N/N=C/2/CC[C@@]3([C@@]56[C@H]2Oc2c6c(C[C@H]3N(CC5)CC=C)ccc2O)O)/CC4)c(cc1)O)O" . "AJPSBXJNFJCCBI-HNJBNLCWSA-N" . "InChI=1S/C38H42N4O6/c1-3-15-41-17-13-35-29-21-5-7-25(43)31(29)47-33(35)23(9-11-37(35,45)27(41)19-21)39-40-24-10-12-38(46)28-20-22-6-8-26(44)32-30(22)36(38,34(24)48-32)14-18-42(28)16-4-2/h3-8,27-28,33-34,43-46H,1-2,9-20H2/b39-23-,40-24-/t27-,28-,33+,34+,35+,36+,37-,38-/m1/s1" . "C=CCN1CCC23C4(C1Cc1c3c(OC2C(=O)CC4)c(cc1)O)O" . "C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O" . "UZHSEJADLWPNLE-GRGSLBFTSA-N" . "InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1" . "NCCCC1NC(=O)C(NC(=O)C(NC(=O)C(CSSC(C(NC(=O)C(NC1=O)C(O)C)C(=O)NC(C(=O)N)C(O)C)(C)C)NC(=O)C(Cc1ccccc1)N)Cc1ccc(cc1)O)Cc1c[nH]c2c1cccc2" . "NCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC([C@H](NC(=O)[C@@H](NC1=O)[C@H](O)C)C(=O)N[C@H](C(=O)N)[C@H](O)C)(C)C)NC(=O)[C@@H](Cc1ccccc1)N)Cc1ccc(cc1)O)Cc1c[nH]c2c1cccc2" . "PZWWYAHWHHNCHO-FGHAYEPSSA-N" . "InChI=1S/C50H67N11O11S2/c1-26(62)39(42(53)65)59-49(72)41-50(3,4)74-73-25-38(58-43(66)33(52)21-28-11-6-5-7-12-28)47(70)56-36(22-29-16-18-31(64)19-17-29)45(68)57-37(23-30-24-54-34-14-9-8-13-32(30)34)46(69)55-35(15-10-20-51)44(67)60-40(27(2)63)48(71)61-41/h5-9,11-14,16-19,24,26-27,33,35-41,54,62-64H,10,15,20-23,25,51-52H2,1-4H3,(H2,53,65)(H,55,69)(H,56,70)(H,57,68)(H,58,66)(H,59,72)(H,60,67)(H,61,71)/t26-,27-,33-,35+,36+,37-,38+,39+,40+,41-/m1/s1" . "COc1ccc2c3c1OC1C43CCN(C(C2)C4C=CC1O)C" . "COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C" . "OROGSEYTTFOCAN-DNJOTXNNSA-N" . "InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1" . "Oc1ccc(cc1)CC(C(=O)N1CCCC1C(=O)N(C(C(=O)N1CCCC1C(=O)N)Cc1ccccc1)C)N" . "Oc1ccc(cc1)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N([C@H](C(=O)N1CCC[C@@H]1C(=O)N)Cc1ccccc1)C)N" . "JAKBYSTWCHUQOK-NDBXHCKUSA-N" . "InChI=1S/C29H37N5O5/c1-32(25(18-19-7-3-2-4-8-19)29(39)33-15-5-9-23(33)26(31)36)28(38)24-10-6-16-34(24)27(37)22(30)17-20-11-13-21(35)14-12-20/h2-4,7-8,11-14,22-25,35H,5-6,9-10,15-18,30H2,1H3,(H2,31,36)/t22-,23+,24-,25-/m0/s1" . "COC12CCC3(CC1C(C(C)(C)C)(O)C)C14C2Oc2c4c(CC3N(CC1)CC1CC1)ccc2O" . "CO[C@]12CC[C@]3(C[C@@H]1[C@@](C(C)(C)C)(O)C)[C@@]14[C@H]2Oc2c4c(C[C@H]3N(CC1)CC1CC1)ccc2O" . "RMRJXGBAOAMLHD-IHFGGWKQSA-N" . "InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1" . "NC(=Nc1ccc2c(c1)c1CC3(O)C4Cc5c6C3(C(c1[nH]2)Oc6c(O)cc5)CCN4CC1CC1)N" . "NC(=Nc1ccc2c(c1)c1C[C@@]3(O)[C@H]4Cc5c6[C@]3([C@H](c1[nH]2)Oc6c(O)cc5)CCN4CC1CC1)N" . "VLNHDKDBGWXJEE-GYHUNEDQSA-N" . "InChI=1S/C27H29N5O3/c28-25(29)30-15-4-5-18-16(10-15)17-11-27(34)20-9-14-3-6-19(33)23-21(14)26(27,24(35-23)22(17)31-18)7-8-32(20)12-13-1-2-13/h3-6,10,13,20,24,31,33-34H,1-2,7-9,11-12H2,(H4,28,29,30)/t20-,24+,26+,27-/m1/s1" . "O=C(N(C1CCC2(CC1N1CCCC1)CCCO2)C)Cc1ccccc1" . "O=C(N([C@H]1CC[C@]2(C[C@@H]1N1CCCC1)CCCO2)C)Cc1ccccc1" . "PGZRDDYTKFZSFR-ONTIZHBOSA-N" . "InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1" . "O=C(N(C1CCC2(CC1N1CCCC1)CCCO2)C)Cc1ccc(c(c1)Cl)Cl" . "O=C(N([C@H]1CC[C@]2(C[C@@H]1N1CCCC1)CCCO2)C)Cc1ccc(c(c1)Cl)Cl" . "NYKCGQQJNVPOLU-ONTIZHBOSA-N" . "InChI=1S/C22H30Cl2N2O2/c1-25(21(27)14-16-5-6-17(23)18(24)13-16)19-7-9-22(8-4-12-28-22)15-20(19)26-10-2-3-11-26/h5-6,13,19-20H,2-4,7-12,14-15H2,1H3/t19-,20-,22-/m0/s1" . "O=C(N(C1CCCCC1N1CCCC1)C)Cc1ccc(c(c1)Cl)Cl" . "O=C(N([C@@H]1CCCC[C@H]1N1CCCC1)C)Cc1ccc(c(c1)Cl)Cl" . "VQLPLYSROCPWFF-QZTJIDSGSA-N" . "InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1" . "CN(C1CCC2(C34C1Oc1c4c(CC2N(CC3)CC2CC2)ccc1O)O)C(=O)C=Cc1ccoc1" . "CN([C@@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O)O)C(=O)/C=C/c1ccoc1" . "XGZZHZMWIXFATA-UEZBDDGYSA-N" . "InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1" . "OC(=O)COc1cccc(c1)C(N(C(=O)Cc1ccc(c(c1)Cl)Cl)C)CN1CCCC1" . "OC(=O)COc1cccc(c1)C(N(C(=O)Cc1ccc(c(c1)Cl)Cl)C)CN1CCCC1" . "JKYJSFISYHSNOE-UHFFFAOYSA-N" . "InChI=1S/C23H26Cl2N2O4/c1-26(22(28)12-16-7-8-19(24)20(25)11-16)21(14-27-9-2-3-10-27)17-5-4-6-18(13-17)31-15-23(29)30/h4-8,11,13,21H,2-3,9-10,12,14-15H2,1H3,(H,29,30)" . "COC(=O)N1CCN(C(C1)CN1CCCC1)C(=O)Cc1ccc(c(c1)Cl)Cl" . "COC(=O)N1CCN(C(C1)CN1CCCC1)C(=O)Cc1ccc(c(c1)Cl)Cl" . "HJUAKZYKCANOOZ-UHFFFAOYSA-N" . "InChI=1S/C19H25Cl2N3O3/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14/h4-5,10,15H,2-3,6-9,11-13H2,1H3" . "CCNC(=O)C(NC(=O)C(N(C(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(cc1)O)NC)CC(C)C)CCCN=C(N)N)C)CCCN=C(N)N)CC(C)C" . "CCNC(=O)[C@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)NC)CC(C)C)CCCN=C(N)N)C)CCCN=C(N)N)CC(C)C" . "JENWDDCMEATQSR-ONSKYXJOSA-N" . "InChI=1S/C50H81N15O9/c1-8-56-44(70)37(24-30(2)3)64-47(73)40(17-13-23-58-50(53)54)65(7)48(74)35(16-12-22-57-49(51)52)62-45(71)38(25-31(4)5)63-46(72)39(27-32-14-10-9-11-15-32)61-42(68)29-59-41(67)28-60-43(69)36(55-6)26-33-18-20-34(66)21-19-33/h9-11,14-15,18-21,30-31,35-40,55,66H,8,12-13,16-17,22-29H2,1-7H3,(H,56,70)(H,59,67)(H,60,69)(H,61,68)(H,62,71)(H,63,72)(H,64,73)(H4,51,52,57)(H4,53,54,58)/t35-,36-,37+,38-,39-,40-/m0/s1" . "OCCNC(=O)C(N(C(=O)CNC(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)C)C)Cc1ccccc1" . "OCCNC(=O)[C@@H](N(C(=O)CNC(=O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)C)C)Cc1ccccc1" . "HPZJMUBDEAMBFI-WTNAPCKOSA-N" . "InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1" . "O=C(N(C1CCC2(CC1N1CCCC1)CCCO2)C)Cc1cccc2c1cco2" . "O=C(N([C@H]1CC[C@]2(C[C@@H]1N1CCCC1)CCCO2)C)Cc1cccc2c1cco2" . "JMBYBVLCYODBJQ-HFMPRLQTSA-N" . "InChI=1S/C24H32N2O3/c1-25(23(27)16-18-6-4-7-22-19(18)9-15-28-22)20-8-11-24(10-5-14-29-24)17-21(20)26-12-2-3-13-26/h4,6-7,9,15,20-21H,2-3,5,8,10-14,16-17H2,1H3/t20-,21-,24-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)N1CCCC1C(=O)O)Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(cc1)O)N)CC(C)C)CCCN=C(N)N " . "CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O" . "RTXIYIQLESPXIV-VLOLPVCOSA-N" . "InChI=1S/C54H77N13O12/c1-32(2)26-41(65-51(76)42(28-33-10-4-3-5-11-33)62-46(71)31-60-45(70)30-61-47(72)38(56)27-34-15-19-36(68)20-16-34)50(75)64-40(13-8-24-59-54(57)58)48(73)63-39(12-6-7-23-55)49(74)66-43(29-35-17-21-37(69)22-18-35)52(77)67-25-9-14-44(67)53(78)79/h3-5,10-11,15-22,32,38-44,68-69H,6-9,12-14,23-31,55-56H2,1-2H3,(H,60,70)(H,61,72)(H,62,71)(H,63,73)(H,64,75)(H,65,76)(H,66,74)(H,78,79)(H4,57,58,59)/t38-,39-,40-,41-,42-,43-,44-/m0/s1" . "O=C(CCC1(C)C2Cc3c(C1(C)CCN2C)cc(cc3)O)CCC1CCCC1" . "O=C(CCC1(C)[C@H]2Cc3c([C@]1(C)CCN2C)cc(cc3)O)CCC1CCCC1" . "LOYWOYCPSWPKFH-CSIQULDISA-N" . "InChI=1S/C25H37NO2/c1-24-14-15-26(3)23(16-19-9-11-21(28)17-22(19)24)25(24,2)13-12-20(27)10-8-18-6-4-5-7-18/h9,11,17-18,23,28H,4-8,10,12-16H2,1-3H3/t23-,24+,25?/m1/s1" . "COC(=O)C=CC(=O)NC1CCC2(C34C1Oc1c4c(CC2N(CC3)CC2CC2)ccc1O)O" . "COC(=O)/C=C/C(=O)N[C@@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O)O" . "PQKHESYTSKMWFP-WZJCLRDWSA-N" . "InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)O)CCC(=O)O)CCCCN)CCCCN)Cc1ccc(cc1)O)C)CC(=O)N)CCCCN)C(CC)C)C(CC)C)C)CC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(C(C)C)NC(=O)C(NC(=O)C1CCCN1C(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(cc1)O)N)CCSC)CO)CCC(=O)O)CCCCN)CO)CCC(=O)N)CC(C)C)CC(C)C)Cc1ccccc1 " . "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)CC" . "JMHFFDIMOUKDCZ-NTXHZHDSSA-N" . "InChI=1S/C158H251N39O46S/c1-17-84(9)126(153(237)182-102(44-29-34-65-163)137(221)186-112(74-118(166)206)142(226)171-86(11)131(215)183-110(73-94-48-52-96(204)53-49-94)146(230)177-99(41-26-31-62-160)135(219)175-98(40-25-30-61-159)134(218)170-78-122(210)173-106(158(242)243)56-59-124(213)214)193-154(238)127(85(10)18-2)192-132(216)87(12)172-143(227)113(75-119(167)207)185-136(220)100(42-27-32-63-161)178-147(231)111(72-92-38-23-20-24-39-92)184-144(228)107(68-81(3)4)188-155(239)129(89(14)201)195-152(236)125(83(7)8)191-148(232)108(69-82(5)6)187-151(235)116-45-35-66-197(116)157(241)130(90(15)202)196-140(224)103(54-57-117(165)205)179-149(233)114(79-198)189-138(222)101(43-28-33-64-162)176-139(223)104(55-58-123(211)212)180-150(234)115(80-199)190-156(240)128(88(13)200)194-141(225)105(60-67-244-16)181-145(229)109(71-91-36-21-19-22-37-91)174-121(209)77-168-120(208)76-169-133(217)97(164)70-93-46-50-95(203)51-47-93/h19-24,36-39,46-53,81-90,97-116,125-130,198-204H,17-18,25-35,40-45,54-80,159-164H2,1-16H3,(H2,165,205)(H2,166,206)(H2,167,207)(H,168,208)(H,169,217)(H,170,218)(H,171,226)(H,172,227)(H,173,210)(H,174,209)(H,175,219)(H,176,223)(H,177,230)(H,178,231)(H,179,233)(H,180,234)(H,181,229)(H,182,237)(H,183,215)(H,184,228)(H,185,220)(H,186,221)(H,187,235)(H,188,239)(H,189,222)(H,190,240)(H,191,232)(H,192,216)(H,193,238)(H,194,225)(H,195,236)(H,196,224)(H,211,212)(H,213,214)(H,242,243)/t84-,85-,86-,87-,88+,89+,90+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,125-,126-,127-,128-,129-,130-/m0/s1" . "Oc1ccc2c3c1OC1C43CCN(C(C2)C4(O)Cc2c1[nH]c1c2CC2(C34C1Oc1c4c(CC2N(CC3)CC2CC2)ccc1O)O)CC1CC1" . "Oc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)Cc2c1[nH]c1c2C[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O)O)CC1CC1" . "APSUXPSYBJVPPS-YAUKWVCOSA-N" . "InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1" . "Oc1ccc2c3c1OC1C43CCN(C(C2)C4(O)Cc2c1[nH]c1c2cccc1)CC1CC1" . "Oc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)Cc2c1[nH]c1c2cccc1)CC1CC1" . "WIYUZYBFCWCCQJ-IFKAHUTRSA-N" . "InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1" . "Oc1ccc2c3c1OC1C43CCN(C(C2)C4(O)Cc2c1oc1c2cccc1)CC1CC1" . "Oc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)Cc2c1oc1c2cccc1)CC1CC1" . "ZHVWWEYETMPAMX-IFKAHUTRSA-N" . "InChI=1S/C26H25NO4/c28-18-8-7-15-11-20-26(29)12-17-16-3-1-2-4-19(16)30-22(17)24-25(26,21(15)23(18)31-24)9-10-27(20)13-14-5-6-14/h1-4,7-8,14,20,24,28-29H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1" . "O=C1CCC2(C34C1Oc1c4c(CC2N(CC3)CC2CC2)ccc1O)O" . "O=C1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O)O" . "DQCKKXVULJGBQN-XFWGSAIBSA-N" . "InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1" . "C=CCN1CCC23C4(C1Cc1c3c(OC2C(=O)CC4)c(cc1)O)O" . "C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O" . "UZHSEJADLWPNLE-GRGSLBFTSA-N" . "InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1" . "Oc1ccc(cc1)CC(C(=O)N1Cc2ccccc2CC1CNC(C(=O)NC(C(=O)O)Cc1ccccc1)Cc1ccccc1)N" . "Oc1ccc(cc1)C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1CN[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)Cc1ccccc1)N" . "RPKMHCAOERKVEC-DYTOPAQESA-N" . "InChI=1S/C37H40N4O5/c38-32(19-27-15-17-31(42)18-16-27)36(44)41-24-29-14-8-7-13-28(29)22-30(41)23-39-33(20-25-9-3-1-4-10-25)35(43)40-34(37(45)46)21-26-11-5-2-6-12-26/h1-18,30,32-34,39,42H,19-24,38H2,(H,40,43)(H,45,46)/t30-,32-,33-,34-/m0/s1" . "C=CCN(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccccc1)(C)C)Cc1ccc(cc1)O)CC=C" . "C=CCN([C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1)(C)C)Cc1ccc(cc1)O)CC=C" . "BGJPRBZZLWCLJW-AWCRTANDSA-N" . "InChI=1S/C34H46N4O6/c1-7-18-38(19-8-2)29(22-25-14-16-26(39)17-15-25)31(41)37-34(5,6)33(44)36-27(21-24-12-10-9-11-13-24)30(40)35-28(32(42)43)20-23(3)4/h7-17,23,27-29,39H,1-2,18-22H2,3-6H3,(H,35,40)(H,36,44)(H,37,41)(H,42,43)/t27-,28-,29-/m0/s1" . "NC(=NCCCC1NC(=O)C(NC(=O)C(Cc2ccc(cc2)O)NC(=O)C(CSSC(C(NC(=O)C(NC1=O)C(O)C)C(=O)NC(C(=O)N)C(O)C)(C)C)NC(=O)C(Cc1ccccc1)N)Cc1c[nH]c2c1cccc2)N" . "NC(=NCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC([C@H](NC(=O)[C@@H](NC1=O)[C@H](O)C)C(=O)N[C@H](C(=O)N)[C@H](O)C)(C)C)NC(=O)[C@H](Cc1ccccc1)N)Cc1c[nH]c2c1cccc2)N" . "OFMQLVRLOGHAJI-RWMSPKCPSA-N" . "InChI=1S/C51H69N13O11S2/c1-26(65)39(42(53)68)62-49(75)41-51(3,4)77-76-25-38(61-43(69)33(52)21-28-11-6-5-7-12-28)47(73)59-36(22-29-16-18-31(67)19-17-29)45(71)60-37(23-30-24-57-34-14-9-8-13-32(30)34)46(72)58-35(15-10-20-56-50(54)55)44(70)63-40(27(2)66)48(74)64-41/h5-9,11-14,16-19,24,26-27,33,35-41,57,65-67H,10,15,20-23,25,52H2,1-4H3,(H2,53,68)(H,58,72)(H,59,73)(H,60,71)(H,61,69)(H,62,75)(H,63,70)(H,64,74)(H4,54,55,56)/t26-,27-,33+,35+,36+,37+,38+,39+,40+,41-/m1/s1" . "O=C1C(=Cc2ccccc2)CC2(C34C1Oc1c4c(CC2N(CC3)CC2CC2)ccc1O)O" . "O=C1/C(=C/c2ccccc2)/C[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O)O" . "WXOUFNFMPVMGFZ-XEGDMQTMSA-N" . "InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/b19-12-/t21-,25+,26+,27-/m1/s1" . "C=CCN1CCC23C4C1Cc1c3c(OC2C(C=C4)O)c(cc1)O" . "C=CCN1CC[C@@]23[C@@H]4[C@H]1Cc1c3c(O[C@H]2[C@H](C=C4)O)c(cc1)O" . "UIQMVEYFGZJHCZ-SSTWWWIQSA-N" . "InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1" . "C=C1CCC2(C34C1Oc1c4c(CC2N(CC3)CC2CC2)ccc1O)O" . "C=C1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O)O" . "WJBLNOPPDWQMCH-MBPVOVBZSA-N" . "InChI=1S/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16-,19+,20+,21-/m1/s1" . "OC1C=CC2C34C1Oc1c4c(CC2N(CC3)C)ccc1O" . "O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O" . "BQJCRHHNABKAKU-KBQPJGBKSA-N" . "InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1" . "CCC(=O)N(c1ccccc1)C1CCN(CC1)CCc1ccccc1" . "CCC(=O)N(c1ccccc1)C1CCN(CC1)CCc1ccccc1" . "PJMPHNIQZUBGLI-UHFFFAOYSA-N" . "InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3" . "CCCC(C1CC23C=CC1(OC)C1C43CCN(C2Cc2c4c(O1)c(O)cc2)C)(O)C" . "CCCC(C1CC23C=CC1(OC)C1C43CCN(C2Cc2c4c(O1)c(O)cc2)C)(O)C" . "CAHCBJPUTCKATP-UHFFFAOYSA-N" . "InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3" . "CCOc1ccc(cc1)Cc1nc2c(n1CCN(CC)CC)ccc(c2)[N+](=O)[O-]" . "CCOc1ccc(cc1)Cc1nc2c(n1CCN(CC)CC)ccc(c2)[N+](=O)[O-]" . "PXDBZSCGSQSKST-UHFFFAOYSA-N" . "InChI=1S/C22H28N4O3/c1-4-24(5-2)13-14-25-21-12-9-18(26(27)28)16-20(21)23-22(25)15-17-7-10-19(11-8-17)29-6-3/h7-12,16H,4-6,13-15H2,1-3H3" . "Oc1ccc(cc1)CC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)Cc1c[nH]c2c1cccc2)N" . "Oc1ccc(cc1)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)Cc1c[nH]c2c1cccc2)N" . "ZEXLJFNSKAHNFH-SYKYGTKKSA-N" . "InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C(O)C)C(C)C)C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(cc1)O)N)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)Cc1ccccc1" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)C(C)C)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)N)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)Cc1ccccc1" . "AGTSSZRZBSNTGQ-ITZCFHCWSA-N" . "InChI=1S/C74H115N21O17/c1-40(2)34-53(91-68(107)54(36-44-18-10-8-11-19-44)86-58(100)39-84-57(99)38-85-62(101)48(76)35-46-25-27-47(97)28-26-46)67(106)89-51(24-17-33-83-74(80)81)63(102)87-50(23-16-32-82-73(78)79)64(103)90-52(29-30-56(77)98)65(104)92-55(37-45-20-12-9-13-21-45)69(108)88-49(22-14-15-31-75)66(105)93-59(41(3)4)70(109)94-60(42(5)6)71(110)95-61(43(7)96)72(111)112/h8-13,18-21,25-28,40-43,48-55,59-61,96-97H,14-17,22-24,29-39,75-76H2,1-7H3,(H2,77,98)(H,84,99)(H,85,101)(H,86,100)(H,87,102)(H,88,108)(H,89,106)(H,90,103)(H,91,107)(H,92,104)(H,93,105)(H,94,109)(H,95,110)(H,111,112)(H4,78,79,82)(H4,80,81,83)/t43-,48+,49+,50+,51+,52+,53+,54+,55+,59+,60+,61+/m1/s1" . "CSCCC(C(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(cc1)O)N" . "CSCC[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)N" . "YFGBQHOOROIVKG-FKBYEOEOSA-N" . "InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1" . "CCC(C(C(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(cc1)O)N)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O" . "WRPLGMBDXVBPEG-VGXZEHLRSA-N" . "InChI=1S/C46H72N14O10/c1-5-27(4)38(44(69)70)60-41(66)33(14-10-20-53-46(50)51)57-40(65)32(13-9-19-52-45(48)49)58-42(67)34(21-26(2)3)59-43(68)35(23-28-11-7-6-8-12-28)56-37(63)25-54-36(62)24-55-39(64)31(47)22-29-15-17-30(61)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,61H,5,9-10,13-14,19-25,47H2,1-4H3,(H,54,62)(H,55,64)(H,56,63)(H,57,65)(H,58,67)(H,59,68)(H,60,66)(H,69,70)(H4,48,49,52)(H4,50,51,53)/t27-,31-,32-,33-,34-,35-,38-/m0/s1" . "C=CCN1CC(C)N(CC1C)C(c1cccc(c1)OC)c1ccc(cc1)C(=O)N(CC)CC" . "C=CCN1C[C@H](C)N(C[C@H]1C)[C@@H](c1cccc(c1)OC)c1ccc(cc1)C(=O)N(CC)CC" . "KQWVAUSXZDRQPZ-UMTXDNHDSA-N" . "InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCC(=O)N)CC(=O)N)CC(=O)O)Cc1c[nH]c2c1cccc2)CCCCN)CC(C)C)NC(=O)C1CCCN1C(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(cc1)O)N)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O" . "JMNJYGMAUMANNW-FIXZTSJVSA-N" . "InChI=1S/C99H155N31O23/c1-7-55(6)81(129-86(142)66(28-18-40-112-98(107)108)118-83(139)65(27-17-39-111-97(105)106)120-88(144)70(44-54(4)5)125-89(145)71(46-56-21-9-8-10-22-56)117-79(135)52-115-78(134)51-116-82(138)61(102)45-57-31-33-59(131)34-32-57)94(150)122-67(29-19-41-113-99(109)110)95(151)130-42-20-30-75(130)93(149)121-64(26-14-16-38-101)85(141)124-69(43-53(2)3)87(143)119-63(25-13-15-37-100)84(140)126-72(47-58-50-114-62-24-12-11-23-60(58)62)90(146)128-74(49-80(136)137)92(148)127-73(48-77(104)133)91(147)123-68(96(152)153)35-36-76(103)132/h8-12,21-24,31-34,50,53-55,61,63-75,81,114,131H,7,13-20,25-30,35-49,51-52,100-102H2,1-6H3,(H2,103,132)(H2,104,133)(H,115,134)(H,116,138)(H,117,135)(H,118,139)(H,119,143)(H,120,144)(H,121,149)(H,122,150)(H,123,147)(H,124,141)(H,125,145)(H,126,140)(H,127,148)(H,128,146)(H,129,142)(H,136,137)(H,152,153)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t55-,61-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,81-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)CC(C)C)NC(=O)C1CCCN1C(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(cc1)O)N)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O" . "OVVIBUHLQIYUEU-IWIISZHXSA-N" . "InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1" . "NCCCCC(C(=O)O)NC(=O)C1CCCN1C(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(cc1)O)N)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O" . "WZHQALIQGVYQGG-QFIUEGLPSA-N" . "InChI=1S/C63H103N21O13/c1-5-37(4)51(58(94)80-44(20-13-29-74-63(70)71)59(95)84-30-14-21-48(84)57(93)81-45(60(96)97)17-9-10-26-64)83-54(90)43(19-12-28-73-62(68)69)78-53(89)42(18-11-27-72-61(66)67)79-55(91)46(31-36(2)3)82-56(92)47(33-38-15-7-6-8-16-38)77-50(87)35-75-49(86)34-76-52(88)41(65)32-39-22-24-40(85)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,85H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1" . "COC12CCC3(CC1C(O)(C)C)C14C2Oc2c4c(CC3N(CC1)CC1CC1)ccc2O" . "CO[C@]12CC[C@]3(C[C@@H]1C(O)(C)C)[C@@]14[C@H]2Oc2c4c(C[C@H]3N(CC1)CC1CC1)ccc2O" . "OIJXLIIMXHRJJH-KNLIIKEYSA-N" . "InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1" . "OC1CCC2C34C1Oc1c4c(CC2N(CC3)C)ccc1O" . "O[C@H]1CC[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O" . "IJVCSMSMFSCRME-KBQPJGBKSA-N" . "InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1" . "OC(=O)CCC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N)C(C)C)C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)C)Cc1ccccc1" . "OC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N)C(C)C)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)C)Cc1ccccc1" . "NUNBRHVOPFWRRG-LJXGPVSSSA-N" . "InChI=1S/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1" . "O=C(CNC(=O)C(Cc1ccc(cc1)O)N)NCC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccccc1" . "O=C(CNC(=O)C(Cc1ccc(cc1)O)N)NCC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccccc1" . "URLZCHNOLZSCCA-UHFFFAOYSA-N" . "InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)" . "COC12CCC3(CC1C(O)(C)C)C14C2Oc2c4c(CC3N(CC1)CC1CC1)ccc2O" . "CO[C@]12CC[C@]3(C[C@@H]1C(O)(C)C)[C@@]14[C@H]2Oc2c4c(C[C@H]3N(C(C1[3H])[3H])CC1CC1)ccc2O" . "OIJXLIIMXHRJJH-ZXJLXYCOSA-N" . "InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1/i10T,11T/t10?,11?,18-,19-,22-,24-,25+,26-" . "CCC12CCN(C(C1C)C(=O)c1c2cc(O)cc1)CC1CC1" . "CC[C@@]12CCN([C@H]([C@H]1C)C(=O)c1c2cc(O)cc1)CC1CC1" . "SEJUQQOPVAUETF-QHLBDZCJSA-N" . "InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17-,19-/m1/s1" . "OCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C(O)C)CC(C)C)Cc1ccccc1)NC(=O)C(Cc1ccc(cc1)O)N" . "OC[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)CC(C)C)Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)O)N" . "PKSODCLCMBUCPW-LVNBQDLPSA-N" . "InChI=1S/C33H46N6O10/c1-18(2)13-24(32(47)39-28(19(3)41)33(48)49)37-31(46)25(15-20-7-5-4-6-8-20)36-27(43)16-35-30(45)26(17-40)38-29(44)23(34)14-21-9-11-22(42)12-10-21/h4-12,18-19,23-26,28,40-42H,13-17,34H2,1-3H3,(H,35,45)(H,36,43)(H,37,46)(H,38,44)(H,39,47)(H,48,49)/t19-,23+,24+,25+,26-,28+/m1/s1" . "O=C1CNC(=O)C(NC(=O)C(Cc2ccc(cc2)O)N)C(C)(C)SSC(C(NC(=O)C(N1)Cc1ccccc1)C(=O)O)(C)C" . "O=C1CNC(=O)[C@H](NC(=O)[C@H](Cc2ccc(cc2)O)N)C(C)(C)SSC([C@@H](NC(=O)[C@@H](N1)Cc1ccccc1)C(=O)O)(C)C" . "MCMMCRYPQBNCPH-WMIMKTLMSA-N" . "InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1" . "Oc1ccc(cc1)CC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccccc1)C)N" . "Oc1ccc(cc1)C[C@@H](C(=O)N[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(C)C)Cc1ccccc1)C)N" . "ZHUJMSMQIPIPTF-IBURTVSXSA-N" . "InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1" . "CC(=CCN1CCC2(C(C1Cc1c2cc(cc1)O)C)C)C" . "CC(=CCN1CC[C@@]2([C@H]([C@H]1Cc1c2cc(cc1)O)C)C)C" . "VOKSWYLNZZRQPF-GDIGMMSISA-N" . "InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1" . "CCC(=O)C(c1ccccc1)(c1ccccc1)CC(N(C)C)C" . "CCC(=O)C(c1ccccc1)(c1ccccc1)C[C@H](N(C)C)C" . "USSIQXCVUWKGNF-QGZVFWFLSA-N" . "InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/t17-/m1/s1" . "Oc1ccc2c(c1)C1(C)CCN(C(C2)C1C)CC1CC1" . "Oc1ccc2c(c1)[C@]1(C)CCN([C@@H](C2)C1C)CC1CC1" . "YQYVFVRQLZMJKJ-OTLVQASYSA-N" . "InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12?,17-,18+/m0/s1" . "CCC12CCN(C(C2(C)C)Cc2c1cc(O)cc2)CC1(O)CC1" . "CC[C@]12CCN([C@@H](C2(C)C)Cc2c1cc(O)cc2)CC1(O)CC1" . "ZDXGFIXMPOUDFF-XLIONFOSSA-N" . "InChI=1S/C20H29NO2/c1-4-20-9-10-21(13-19(23)7-8-19)17(18(20,2)3)11-14-5-6-15(22)12-16(14)20/h5-6,12,17,22-23H,4,7-11,13H2,1-3H3/t17-,20+/m1/s1" . "CCC1CN(CC2CC2)C2C(C1c1cc(O)ccc1C2=O)C" . "CCC1CN(CC2CC2)C2C(C1c1cc(O)ccc1C2=O)C" . "MOXLMXQSFOOZDO-UHFFFAOYSA-N" . "InChI=1S/C19H25NO2/c1-3-13-10-20(9-12-4-5-12)18-11(2)17(13)16-8-14(21)6-7-15(16)19(18)22/h6-8,11-13,17-18,21H,3-5,9-10H2,1-2H3" . "COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC" . "COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC" . "DYLJVOXRWLXDIG-UHFFFAOYSA-N" . "InChI=1S/C32H31ClN4O5/c1-41-27-4-3-5-28(42-2)29(27)26-16-24(36-37(26)25-8-9-34-23-15-21(33)6-7-22(23)25)30(38)35-32(31(39)40)19-11-17-10-18(13-19)14-20(32)12-17/h3-9,15-20H,10-14H2,1-2H3,(H,35,38)(H,39,40)" . "NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccc(cc1)O)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)C(O)C)C(CC)C)CC(C)C)CC(=O)N)C(CC)C)Cc1ccc(cc1)O)Cc1c[nH]cn1)CCCN=C(N)N)CC(C)C)C)CO)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CCCN=C(N)N)C)CCSC)CC(=O)O)CCC(=O)O)C)C)CC(=O)O)CCC(=O)O)CC(=O)N)CC(=O)O)NC(=O)C(NC(=O)C1CCCN1C(=O)C(Cc1ccc(cc1)O)N)CO " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC" . "XKWCTHKJQNUFOQ-HRPSIEBRSA-N" . "InChI=1S/C189H285N55O57S/c1-15-93(7)148(179(295)234-128(81-140(193)254)168(284)226-123(74-92(5)6)171(287)239-149(94(8)16-2)180(296)240-150(99(13)247)181(297)222-115(31-22-67-208-189(202)203)156(272)220-117(56-59-139(192)253)161(277)218-113(29-20-65-206-187(198)199)157(273)224-121(151(195)267)76-101-38-48-107(249)49-39-101)238-172(288)126(79-104-44-54-110(252)55-45-104)229-167(283)127(80-105-86-204-90-210-105)230-159(275)114(30-21-66-207-188(200)201)219-164(280)122(73-91(3)4)225-154(270)96(10)212-173(289)133(88-245)236-166(282)125(78-103-42-52-109(251)53-43-103)228-165(281)124(77-102-40-50-108(250)51-41-102)227-158(274)112(28-19-64-205-186(196)197)216-152(268)95(9)211-155(271)119(62-72-302-14)221-169(285)130(84-146(263)264)232-162(278)118(58-61-144(259)260)217-153(269)97(11)213-176(292)136-33-24-68-241(136)182(298)98(12)214-163(279)129(83-145(261)262)231-160(276)116(57-60-143(257)258)215-142(256)87-209-175(291)135-32-23-70-243(135)185(301)132(82-141(194)255)235-170(286)131(85-147(265)266)233-177(293)138-35-26-71-244(138)184(300)120(27-17-18-63-190)223-174(290)134(89-246)237-178(294)137-34-25-69-242(137)183(299)111(191)75-100-36-46-106(248)47-37-100/h36-55,86,90-99,111-138,148-150,245-252H,15-35,56-85,87-89,190-191H2,1-14H3,(H2,192,253)(H2,193,254)(H2,194,255)(H2,195,267)(H,204,210)(H,209,291)(H,211,271)(H,212,289)(H,213,292)(H,214,279)(H,215,256)(H,216,268)(H,217,269)(H,218,277)(H,219,280)(H,220,272)(H,221,285)(H,222,297)(H,223,290)(H,224,273)(H,225,270)(H,226,284)(H,227,274)(H,228,281)(H,229,283)(H,230,275)(H,231,276)(H,232,278)(H,233,293)(H,234,295)(H,235,286)(H,236,282)(H,237,294)(H,238,288)(H,239,287)(H,240,296)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t93-,94-,95-,96-,97-,98-,99+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,148-,149-,150-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)CCCCN)Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(cc1)O)N)CC(C)C)CCCN=C(N)N " . "CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O" . "KZTDMJBCZSGHOG-XJIZABAQSA-N" . "InChI=1S/C60H89N15O13/c1-36(2)30-46(73-56(84)47(32-37-12-4-3-5-13-37)69-51(79)35-67-50(78)34-68-52(80)42(63)31-38-18-22-40(76)23-19-38)55(83)71-44(16-10-28-66-60(64)65)53(81)70-43(14-6-8-26-61)54(82)74-48(33-39-20-24-41(77)25-21-39)58(86)75-29-11-17-49(75)57(85)72-45(59(87)88)15-7-9-27-62/h3-5,12-13,18-25,36,42-49,76-77H,6-11,14-17,26-35,61-63H2,1-2H3,(H,67,78)(H,68,80)(H,69,79)(H,70,81)(H,71,83)(H,72,85)(H,73,84)(H,74,82)(H,87,88)(H4,64,65,66)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1" . "Cc1scc(c1)C1(C)OC(=CC1=O)C(=O)O" . "Cc1scc(c1)C1(C)OC(=CC1=O)C(=O)O" . "NNWGOUJBCKZULC-UHFFFAOYSA-N" . "InChI=1S/C11H10O4S/c1-6-3-7(5-16-6)11(2)9(12)4-8(15-11)10(13)14/h3-5H,1-2H3,(H,13,14)" . "OC(=O)Cc1cccnc1" . "OC(=O)Cc1cccnc1" . "WGNUNYPERJMVRM-UHFFFAOYSA-N" . "InChI=1S/C7H7NO2/c9-7(10)4-6-2-1-3-8-5-6/h1-3,5H,4H2,(H,9,10)" . "NCCCCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)C(CC)C)Cc1c[nH]c2c1cccc2)CCCNC(=N)N)CCCCN)Cc1[nH]cnc1)Cc1ccccc1)CO)CC(C)C)NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(CCSC)N)CC(C)C)CCCCN)Cc1ccccc1)CCC(=O)O)CCCCN)CO)C)CCCNC(=N)N" . "NCCCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)[C@H](CC)C)Cc1c[nH]c2c1cccc2)CCCNC(=N)N)CCCCN)Cc1[nH]cnc1)Cc1ccccc1)CO)CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](CCSC)N)CC(C)C)CCCCN)Cc1ccccc1)CCC(=O)O)CCCCN)CO)C)CCCNC(=N)N" . "IDHVLSACPFUBDY-QCDLPZBNSA-N" . "InChI=1S/C139H224N38O32S/c1-15-79(10)111(132(203)169-103(137(208)209)64-77(6)7)173-126(197)101(67-85-69-152-89-41-23-22-40-87(85)89)167-130(201)107-49-34-59-176(107)135(206)96(47-33-58-151-139(147)148)163-117(188)91(43-25-29-54-141)159-129(200)106-48-35-60-177(106)136(207)102(68-86-70-149-74-154-86)168-124(195)100(66-84-38-20-17-21-39-84)166-128(199)105(73-179)171-122(193)97(62-75(2)3)156-108(182)71-153-116(187)90(42-24-28-53-140)160-131(202)110(78(8)9)172-120(191)94(46-32-57-150-138(145)146)157-114(185)80(11)155-127(198)104(72-178)170-119(190)93(45-27-31-56-143)162-133(204)112(81(12)180)174-121(192)95(50-51-109(183)184)158-123(194)99(65-83-36-18-16-19-37-83)165-118(189)92(44-26-30-55-142)161-134(205)113(82(13)181)175-125(196)98(63-76(4)5)164-115(186)88(144)52-61-210-14/h16-23,36-41,69-70,74-82,88,90-107,110-113,152,178-181H,15,24-35,42-68,71-73,140-144H2,1-14H3,(H,149,154)(H,153,187)(H,155,198)(H,156,182)(H,157,185)(H,158,194)(H,159,200)(H,160,202)(H,161,205)(H,162,204)(H,163,188)(H,164,186)(H,165,189)(H,166,199)(H,167,201)(H,168,195)(H,169,203)(H,170,190)(H,171,193)(H,172,191)(H,173,197)(H,174,192)(H,175,196)(H,183,184)(H,208,209)(H4,145,146,150)(H4,147,148,151)/t79-,80-,81+,82+,88-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,110-,111-,112-,113-/m0/s1" . "N#CC1(CCC(CC1)N1CCC(C(C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F" . "N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F" . "ZCGOMHNNNFPNMX-KYTRFIICSA-N" . "InChI=1S/C26H29FN2O2/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20/h2-10,19,23H,11-17H2,1H3,(H,30,31)/t19-,23-,25-,26-/m1/s1" . "COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC" . "Clc1ccc2c(c1)nccc2n1nc(cc1c1c(cccc1OC([3H])([3H])[3H])OC([3H])([3H])[3H])C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3" . "DYLJVOXRWLXDIG-VQBNBCTGSA-N" . "InChI=1S/C32H31ClN4O5/c1-41-27-4-3-5-28(42-2)29(27)26-16-24(36-37(26)25-8-9-34-23-15-21(33)6-7-22(23)25)30(38)35-32(31(39)40)19-11-17-10-18(13-19)14-20(32)12-17/h3-9,15-20H,10-14H2,1-2H3,(H,35,38)(H,39,40)/i1T3,2T3" . "NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccc(cc1)O)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)C(O)C)C(C)C)CC(C)C)CC(=O)N)CC(C)C)Cc1ccc(cc1)O)Cc1c[nH]cn1)CCCN=C(N)N)CC(C)C)CO)C)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CCCN=C(N)N)CO)CC(C)C)CCC(=O)O)CCC(=O)O)CO)C)CC(=O)O)CCC(=O)O)C)CCC(=O)O)NC(=O)C(NC(=O)C1CCCN1C(=O)C(Cc1ccc(cc1)O)N)C " . "CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C" . "DVSSIQOSVMXRLH-HDTKZREISA-N" . "InChI=1S/C190H288N54O57/c1-92(2)74-125(167(282)217-115(28-19-67-206-188(198)199)160(275)233-132(83-107-86-204-91-210-107)172(287)232-131(82-106-43-53-112(253)54-44-106)170(285)227-126(75-93(3)4)168(283)234-133(84-143(194)255)173(288)228-128(77-95(7)8)174(289)239-150(96(9)10)181(296)240-151(101(15)248)182(297)223-117(30-21-69-208-190(202)203)157(272)219-119(55-60-142(193)254)162(277)216-114(27-18-66-205-187(196)197)158(273)225-124(152(195)267)79-103-37-47-109(250)48-38-103)229-176(291)135(88-245)236-154(269)97(11)211-165(280)129(80-104-39-49-110(251)50-40-104)231-171(286)130(81-105-41-51-111(252)52-42-105)230-159(274)116(29-20-68-207-189(200)201)218-175(290)136(89-246)237-169(284)127(76-94(5)6)226-164(279)121(58-63-147(261)262)220-163(278)122(59-64-148(263)264)222-180(295)141-34-25-73-244(141)186(301)137(90-247)238-155(270)98(12)212-166(281)134(85-149(265)266)235-161(276)118(56-61-145(257)258)215-144(256)87-209-177(292)138-31-22-70-241(138)183(298)100(14)214-156(271)120(57-62-146(259)260)221-179(294)140-33-24-72-243(140)185(300)123(26-16-17-65-191)224-153(268)99(13)213-178(293)139-32-23-71-242(139)184(299)113(192)78-102-35-45-108(249)46-36-102/h35-54,86,91-101,113-141,150-151,245-253H,16-34,55-85,87-90,191-192H2,1-15H3,(H2,193,254)(H2,194,255)(H2,195,267)(H,204,210)(H,209,292)(H,211,280)(H,212,281)(H,213,293)(H,214,271)(H,215,256)(H,216,277)(H,217,282)(H,218,290)(H,219,272)(H,220,278)(H,221,294)(H,222,295)(H,223,297)(H,224,268)(H,225,273)(H,226,279)(H,227,285)(H,228,288)(H,229,291)(H,230,274)(H,231,286)(H,232,287)(H,233,275)(H,234,283)(H,235,276)(H,236,269)(H,237,284)(H,238,270)(H,239,289)(H,240,296)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t97-,98-,99-,100-,101+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,150-,151-/m0/s1" . "COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC(C1CCCCC1)C(=O)O)OC" . "COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)N[C@@H](C1CCCCC1)C(=O)O)OC" . "PXNTUYAGLGTUKX-MHZLTWQESA-N" . "InChI=1S/C29H29ClN4O5/c1-38-24-9-6-10-25(39-2)26(24)23-16-21(28(35)32-27(29(36)37)17-7-4-3-5-8-17)33-34(23)22-13-14-31-20-15-18(30)11-12-19(20)22/h6,9-17,27H,3-5,7-8H2,1-2H3,(H,32,35)(H,36,37)/t27-/m0/s1" . "COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC" . "COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC" . "LWULHXVBLMWCHO-UHFFFAOYSA-N" . "InChI=1S/C39H51N5O6/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24/h8,10-13,21-25,27-28H,9,14-20H2,1-7H3,(H,40,45)(H,47,48)" . "NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)C(CC)C)Cc1ccc(cc1)O)CCCN=C(N)N)CCCN=C(N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCC(=O)N1)CC(C)C)Cc1ccc(cc1)O)CCC(=O)O)CC(=O)N" . "NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)[C@H](CC)C)Cc1ccc(cc1)O)CCCN=C(N)N)CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CC(C)C)Cc1ccc(cc1)O)CCC(=O)O)CC(=O)N" . "PCJGZPGTCUMMOT-ISULXFBGSA-N" . "InChI=1S/C78H121N21O20/c1-7-43(6)63(73(115)96-57(76(118)119)37-42(4)5)97-70(112)55(39-45-21-25-47(101)26-22-45)95-72(114)59-18-13-35-99(59)75(117)52(16-11-33-86-78(83)84)90-64(106)48(15-10-32-85-77(81)82)89-71(113)58-17-12-34-98(58)74(116)51(14-8-9-31-79)91-69(111)56(40-60(80)102)94-66(108)50(28-30-62(104)105)88-68(110)54(38-44-19-23-46(100)24-20-44)93-67(109)53(36-41(2)3)92-65(107)49-27-29-61(103)87-49/h19-26,41-43,48-59,63,100-101H,7-18,27-40,79H2,1-6H3,(H2,80,102)(H,87,103)(H,88,110)(H,89,113)(H,90,106)(H,91,111)(H,92,107)(H,93,109)(H,94,108)(H,95,114)(H,96,115)(H,97,112)(H,104,105)(H,118,119)(H4,81,82,85)(H4,83,84,86)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1" . "O=N(=O)c1ccccc1S(=O)(=O)NCC1CCC(CC1)CNc1ccc2c(c1)cccc2" . "O=N(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CC[C@H](CC1)CNc1ccc2c(c1)cccc2" . "BPBPTEVVRMSHTB-WGSAOQKQSA-N" . "InChI=1S/C24H27N3O4S/c28-27(29)23-7-3-4-8-24(23)32(30,31)26-17-19-11-9-18(10-12-19)16-25-22-14-13-20-5-1-2-6-21(20)15-22/h1-8,13-15,18-19,25-26H,9-12,16-17H2/t18-,19-" . "O=C(N(CCc1ccncc1)C)Nc1ccc2c(c1)c1CCCCc1n2C(C)C" . "O=C(N(CCc1ccncc1)C)Nc1ccc2c(c1)c1CCCCc1n2C(C)C" . "YLNOMVNCZMWDST-UHFFFAOYSA-N" . "InChI=1S/C24H30N4O/c1-17(2)28-22-7-5-4-6-20(22)21-16-19(8-9-23(21)28)26-24(29)27(3)15-12-18-10-13-25-14-11-18/h8-11,13-14,16-17H,4-7,12,15H2,1-3H3,(H,26,29)" . "OC(=O)C1CC(CN1Cc1ccccc1)(N)C(=O)O" . "OC(=O)[C@H]1C[C@](CN1Cc1ccccc1)(N)C(=O)O" . "LYCSUAGKQMUTBR-ZWNOBZJWSA-N" . "InChI=1S/C13H16N2O4/c14-13(12(18)19)6-10(11(16)17)15(8-13)7-9-4-2-1-3-5-9/h1-5,10H,6-8,14H2,(H,16,17)(H,18,19)/t10-,13-/m1/s1" . "NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)C(CC)C)Cc1ccc(cc1)O)CCCN=C(N)N)CCCN=C(N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCC(=O)N1)CC(C)C)Cc1ccc(cc1)O)CCC(=O)O)CC(=O)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)O" . "PCJGZPGTCUMMOT-ISULXFBGSA-N" . "InChI=1S/C78H121N21O20/c1-7-43(6)63(73(115)96-57(76(118)119)37-42(4)5)97-70(112)55(39-45-21-25-47(101)26-22-45)95-72(114)59-18-13-35-99(59)75(117)52(16-11-33-86-78(83)84)90-64(106)48(15-10-32-85-77(81)82)89-71(113)58-17-12-34-98(58)74(116)51(14-8-9-31-79)91-69(111)56(40-60(80)102)94-66(108)50(28-30-62(104)105)88-68(110)54(38-44-19-23-46(100)24-20-44)93-67(109)53(36-41(2)3)92-65(107)49-27-29-61(103)87-49/h19-26,41-43,48-59,63,100-101H,7-18,27-40,79H2,1-6H3,(H2,80,102)(H,87,103)(H,88,110)(H,89,113)(H,90,106)(H,91,111)(H,92,107)(H,93,109)(H,94,108)(H,95,114)(H,96,115)(H,97,112)(H,104,105)(H,118,119)(H4,81,82,85)(H4,83,84,86)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)C(CC)C)Cc1ccc(cc1)O)CCCCN)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCC(=O)N1)CO)CCC(=O)O)CCC(=O)O)CO)CC(=O)N)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)O" . "RMBUSFDUDIVELV-FEHLDFIESA-N" . "InChI=1S/C74H117N19O27/c1-7-37(4)59(71(116)89-49(74(119)120)29-36(2)3)91-67(112)47(30-40-16-18-41(97)19-17-40)88-70(115)52-15-12-28-93(52)73(118)46(14-9-11-27-76)86-63(108)42(13-8-10-26-75)85-72(117)60(39(6)96)92-61(106)38(5)80-66(111)48(31-53(77)98)87-68(113)50(34-94)82-56(101)33-78-55(100)32-79-62(107)43(21-24-57(102)103)83-65(110)45(22-25-58(104)105)84-69(114)51(35-95)90-64(109)44-20-23-54(99)81-44/h16-19,36-39,42-52,59-60,94-97H,7-15,20-35,75-76H2,1-6H3,(H2,77,98)(H,78,100)(H,79,107)(H,80,111)(H,81,99)(H,82,101)(H,83,110)(H,84,114)(H,85,117)(H,86,108)(H,87,113)(H,88,115)(H,89,116)(H,90,109)(H,91,112)(H,92,106)(H,102,103)(H,104,105)(H,119,120)/t37-,38-,39+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,59-,60-/m0/s1" . "O=C(C(NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)CNC(=O)N" . "O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)CNC(=O)N" . "TVMJSGGZULFVCZ-XMMPIXPASA-N" . "InChI=1S/C29H35N7O3/c30-28(31)33-17-7-12-24(26(37)34-18-20-13-15-21(16-14-20)19-35-29(32)39)36-27(38)25(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-11,13-16,24-25H,7,12,17-19H2,(H,34,37)(H,36,38)(H4,30,31,33)(H3,32,35,39)/t24-/m1/s1" . "CCC(C(C(=O)NC(C(=O)O)CC(C)C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)CCCN=C(N)N)CCCN=C(N)N)C" . "CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)O)CC(C)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)CCCN=C(N)N)CCCN=C(N)N)C" . "KOHSYJYVCLITLX-OLPQHFNPSA-N" . "InChI=1S/C45H73N13O9/c1-8-26(4)35(39(62)55-33(41(64)65)22-25(2)3)57-37(60)32(23-27-24-52-29-15-10-9-14-28(27)29)54-38(61)34-18-13-21-58(34)40(63)31(17-12-20-51-43(48)49)53-36(59)30(16-11-19-50-42(46)47)56-44(66)67-45(5,6)7/h9-10,14-15,24-26,30-35,52H,8,11-13,16-23H2,1-7H3,(H,53,59)(H,54,61)(H,55,62)(H,56,66)(H,57,60)(H,64,65)(H4,46,47,50)(H4,48,49,51)/t26-,30-,31-,32-,33-,34-,35-/m0/s1" . "NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)C(CC)C)Cc1ccc(cc1)O)NCC(CCCCN)N" . "NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)[C@H](CC)C)Cc1ccc(cc1)O)NC[C@H](CCCCN)N" . "TZCYVPLNMOJUIL-GULBXNHPSA-N" . "InChI=1S/C38H66N8O7/c1-5-25(4)33(36(50)44-31(38(52)53)21-24(2)3)45-34(48)30(22-26-14-16-28(47)17-15-26)43-35(49)32-13-10-20-46(32)37(51)29(12-7-9-19-40)42-23-27(41)11-6-8-18-39/h14-17,24-25,27,29-33,42,47H,5-13,18-23,39-41H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)(H,52,53)/t25-,27-,29-,30-,31-,32-,33-/m0/s1" . "NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(C)(C)C)C(=O)NC(C(=O)OCC)CC(C)C)Cc1c[nH]c2c1cccc2)NC(=O)C(CCCN=C(N)N)NC" . "NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@H](C(=O)OCC)CC(C)C)Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCN=C(N)N)NC" . "BLWANJSERJECRU-ULWXFTFZSA-N" . "InChI=1S/C43H71N11O7/c1-8-61-41(60)33(23-26(2)3)52-39(58)35(43(4,5)6)53-37(56)32(24-27-25-49-29-16-10-9-15-28(27)29)51-38(57)34-19-14-22-54(34)40(59)31(17-11-12-20-44)50-36(55)30(47-7)18-13-21-48-42(45)46/h9-10,15-16,25-26,30-35,47,49H,8,11-14,17-24,44H2,1-7H3,(H,50,55)(H,51,57)(H,52,58)(H,53,56)(H4,45,46,48)/t30-,31-,32-,33-,34-,35+/m0/s1" . "OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C" . "OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C" . "CCJIUBMPDVWYLU-UHFFFAOYSA-N" . "InChI=1S/C23H26O4/c1-22(2)9-14(24)20(15(25)10-22)19-13-7-5-6-8-17(13)27-18-12-23(3,4)11-16(26)21(18)19/h5-8,19,24H,9-12H2,1-4H3" . "Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2" . "Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2" . "UULIGRNKXHCLQN-UHFFFAOYSA-N" . "InChI=1S/C26H29N5O2S/c27-25-22-9-3-4-10-23(22)30-26(31-25)28-16-18-12-14-19(15-13-18)17-29-34(32,33)24-11-5-7-20-6-1-2-8-21(20)24/h1-11,18-19,29H,12-17H2,(H3,27,28,30,31)" . "CCC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)C(O)C)C(CC)C)CC(C)C)CC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CCCN=C(N)N)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CO)C)CC(C)C)CCCN=C(N)N)Cc1nc[nH]c1)Cc1ccc(cc1)O)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC" . "YRPHNBYJNXIEMP-RRMDRAMYSA-N" . "InChI=1S/C112H173N35O28/c1-12-57(7)87(105(171)142-82(51-86(115)155)101(167)137-77(45-56(5)6)102(168)146-88(58(8)13-2)106(172)147-89(61(11)149)107(173)135-74(21-17-43-128-112(122)123)92(158)134-75(38-39-85(114)154)96(162)132-73(20-16-42-127-111(120)121)95(161)143-83(108(174)175)49-65-28-36-70(153)37-29-65)145-103(169)80(48-64-26-34-69(152)35-27-64)140-100(166)81(50-66-52-124-54-129-66)141-94(160)72(19-15-41-126-110(118)119)133-97(163)76(44-55(3)4)136-91(157)60(10)130-104(170)84(53-148)144-99(165)79(47-63-24-32-68(151)33-25-63)139-98(164)78(46-62-22-30-67(150)31-23-62)138-93(159)71(131-90(156)59(9)113)18-14-40-125-109(116)117/h22-37,52,54-61,71-84,87-89,148-153H,12-21,38-51,53,113H2,1-11H3,(H2,114,154)(H2,115,155)(H,124,129)(H,130,170)(H,131,156)(H,132,162)(H,133,163)(H,134,158)(H,135,173)(H,136,157)(H,137,167)(H,138,159)(H,139,164)(H,140,166)(H,141,160)(H,142,171)(H,143,161)(H,144,165)(H,145,169)(H,146,168)(H,147,172)(H,174,175)(H4,116,117,125)(H4,118,119,126)(H4,120,121,127)(H4,122,123,128)/t57-,58-,59-,60-,61+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,87-,88-,89-/m0/s1" . "CCC(C(C(=NC1CCC(=NCC(N=C(O)C2CCCN2C(=O)C(CCC(=NCC(N=C(C2N(C1=O)CCC2)O)C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=N)O)Cc1ccc(cc1)O)O)CCCNC(=N)N)O)CC(C)C)O)CCCNC(=N)N)O)Cc1ccc(cc1)O)O)O)N=C(C(C(CC)C)N)O)C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=N)O)Cc1ccc(cc1)O)O)CCCNC(=N)N)O)CC(C)C)O)CCCNC(=N)N)O)Cc1ccc(cc1)O)O)O)O)N)C" . "CC[C@@H]([C@@H](C(=N[C@@H]1CCC(=NC[C@@H](N=C(O)[C@@H]2CCCN2C(=O)[C@H](CCC(=NC[C@H](N=C([C@H]2N(C1=O)CCC2)O)C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N)O)Cc1ccc(cc1)O)O)CCCNC(=N)N)O)CC(C)C)O)CCCNC(=N)N)O)Cc1ccc(cc1)O)O)O)N=C([C@H]([C@H](CC)C)N)O)C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N)O)Cc1ccc(cc1)O)O)CCCNC(=N)N)O)CC(C)C)O)CCCNC(=N)N)O)Cc1ccc(cc1)O)O)O)O)N)C" . "RJRBRCCJETZJLT-VHUVHYDGSA-N" . "InChI=1S/C110H170N34O24/c1-9-59(7)87(111)103(165)133-73-39-41-85(149)127-55-81(99(161)139-79(53-63-27-35-67(147)36-28-63)97(159)131-71(19-13-45-125-109(119)120)93(155)137-77(49-57(3)4)95(157)129-69(17-11-43-123-107(115)116)91(153)135-75(89(113)151)51-61-23-31-65(145)32-24-61)142-102(164)84-22-16-48-144(84)106(168)74(134-104(166)88(112)60(8)10-2)40-42-86(150)128-56-82(141-101(163)83-21-15-47-143(83)105(73)167)100(162)140-80(54-64-29-37-68(148)38-30-64)98(160)132-72(20-14-46-126-110(121)122)94(156)138-78(50-58(5)6)96(158)130-70(18-12-44-124-108(117)118)92(154)136-76(90(114)152)52-62-25-33-66(146)34-26-62/h23-38,57-60,69-84,87-88,145-148H,9-22,39-56,111-112H2,1-8H3,(H2,113,151)(H2,114,152)(H,127,149)(H,128,150)(H,129,157)(H,130,158)(H,131,159)(H,132,160)(H,133,165)(H,134,166)(H,135,153)(H,136,154)(H,137,155)(H,138,156)(H,139,161)(H,140,162)(H,141,163)(H,142,164)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t59-,60-,69-,70-,71-,72-,73-,74+,75-,76-,77-,78-,79-,80-,81-,82+,83-,84-,87-,88-/m0/s1" . "Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1" . "Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1" . "QWGDMFLQWFTERH-UHFFFAOYSA-N" . "InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)CCCN=C(N)N)C(O)C)CC(C)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)C)CC(=O)O)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)Cc1ccc(cc1)O)CC(=O)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O" . "CPUYPLDQPHAQJS-RCZLJNPTSA-N" . "InChI=1S/C88H145N29O23S/c1-11-45(6)67(115-79(134)60(39-49-22-26-51(119)27-23-49)112-72(127)54(18-13-32-100-86(93)94)104-71(126)53(17-12-31-99-85(91)92)105-75(130)58(37-43(2)3)111-77(132)62(42-66(122)123)109-70(125)47(8)103-69(124)46(7)89)81(136)113-61(41-65(90)121)76(131)106-56(30-36-141-10)74(129)110-59(38-44(4)5)78(133)116-68(48(9)118)82(137)108-57(20-15-34-102-88(97)98)83(138)117-35-16-21-64(117)80(135)107-55(19-14-33-101-87(95)96)73(128)114-63(84(139)140)40-50-24-28-52(120)29-25-50/h22-29,43-48,53-64,67-68,118-120H,11-21,30-42,89H2,1-10H3,(H2,90,121)(H,103,124)(H,104,126)(H,105,130)(H,106,131)(H,107,135)(H,108,137)(H,109,125)(H,110,129)(H,111,132)(H,112,127)(H,113,136)(H,114,128)(H,115,134)(H,116,133)(H,122,123)(H,139,140)(H4,91,92,99)(H4,93,94,100)(H4,95,96,101)(H4,97,98,102)/t45-,46-,47-,48+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,67-,68-/m0/s1" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)CC(=O)O)C)C)Cc1ccc(cc1)O)CCC(=O)N)C)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(NC(=O)C(C(C)C)NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C1CCCN1)CC(C)C)CCC(=O)O)Cc1ccc(cc1)O)CC(=O)O)CC(=O)N)C)CCC(=O)O)CCC(=O)N " . "CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O" . "QYQMWBRWIUIJOU-ARBPZFHVSA-N" . "InChI=1S/C131H197N35O42S/c1-62(2)53-84(118(196)150-77(20-14-47-140-130(135)136)111(189)149-78(21-15-48-141-131(137)138)112(190)161-91(129(207)208)57-72-29-35-75(170)36-30-72)157-121(199)89(60-102(181)182)155-107(185)66(8)143-105(183)65(7)145-116(194)86(55-70-25-31-73(168)32-26-70)158-115(193)79(37-41-95(132)171)148-106(184)67(9)144-110(188)82(45-52-209-12)152-113(191)80(38-42-96(133)172)151-114(192)81(39-43-99(175)176)153-123(201)93-23-18-51-166(93)128(206)104(69(11)167)163-108(186)68(10)146-117(195)87(58-97(134)173)159-120(198)88(59-101(179)180)147-98(174)61-142-122(200)92-22-16-49-164(92)127(205)90(56-71-27-33-74(169)34-28-71)160-125(203)103(64(5)6)162-124(202)94-24-17-50-165(94)126(204)83(40-44-100(177)178)154-119(197)85(54-63(3)4)156-109(187)76-19-13-46-139-76/h25-36,62-69,76-94,103-104,139,167-170H,13-24,37-61H2,1-12H3,(H2,132,171)(H2,133,172)(H2,134,173)(H,142,200)(H,143,183)(H,144,188)(H,145,194)(H,146,195)(H,147,174)(H,148,184)(H,149,189)(H,150,196)(H,151,192)(H,152,191)(H,153,201)(H,154,197)(H,155,185)(H,156,187)(H,157,199)(H,158,193)(H,159,198)(H,160,203)(H,161,190)(H,162,202)(H,163,186)(H,175,176)(H,177,178)(H,179,180)(H,181,182)(H,207,208)(H4,135,136,140)(H4,137,138,141)/t65-,66-,67-,68-,69+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,103-,104-/m0/s1" . "CCN(C1CC(C)OC(C1O)OC1C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(=O)OC(C(C(C(C2=C(CC1(C)O2)C)C)O)(C)O)CC)C" . "CCN([C@H]1C[C@@H](C)O[C@H]([C@@H]1O)O[C@@H]1[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@@H](C)C(=O)O[C@@H]([C@@]([C@@H]([C@H](C2=C(C[C@]1(C)O2)C)C)O)(C)O)CC)C" . "UTTLXGDLSXWDJI-OTELOYJSSA-N" . "InChI=1S/C38H67NO12/c1-14-26-38(11,44)31(41)21(5)29-19(3)17-37(10,51-29)33(50-35-28(40)25(39(12)15-2)16-20(4)46-35)22(6)30(23(7)34(43)48-26)49-27-18-36(9,45-13)32(42)24(8)47-27/h20-28,30-33,35,40-42,44H,14-18H2,1-13H3/t20-,21+,22+,23-,24+,25+,26-,27+,28-,30+,31-,32+,33-,35+,36-,37+,38-/m1/s1" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)CCCN=C(N)N)C(O)C)CC(C)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(C(O)C)N)CCC(=O)O)CCC(=O)N)CCSC)C)CCC(=O)N)Cc1ccc(cc1)O)C)C)CC(=O)O)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)Cc1ccc(cc1)O)CC(=O)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O" . "QEGDVJSSWALCFX-INYLDASMSA-N" . "InChI=1S/C129H205N39O37S2/c1-14-64(6)100(121(200)163-89(60-96(132)176)115(194)154-83(46-54-207-13)112(191)159-86(56-63(4)5)117(196)166-101(69(11)170)122(201)157-84(24-18-50-145-129(140)141)123(202)167-51-19-25-92(167)119(198)155-78(23-17-49-144-128(138)139)108(187)164-91(125(204)205)59-72-31-37-75(173)38-32-72)165-118(197)88(58-71-29-35-74(172)36-30-71)162-107(186)77(22-16-48-143-127(136)137)150-106(185)76(21-15-47-142-126(134)135)151-114(193)85(55-62(2)3)160-116(195)90(61-98(179)180)158-104(183)66(8)146-102(181)65(7)148-113(192)87(57-70-27-33-73(171)34-28-70)161-111(190)79(39-42-94(130)174)149-103(182)67(9)147-105(184)82(45-53-206-12)153-109(188)80(40-43-95(131)175)152-110(189)81(41-44-97(177)178)156-120(199)93-26-20-52-168(93)124(203)99(133)68(10)169/h27-38,62-69,76-93,99-101,169-173H,14-26,39-61,133H2,1-13H3,(H2,130,174)(H2,131,175)(H2,132,176)(H,146,181)(H,147,184)(H,148,192)(H,149,182)(H,150,185)(H,151,193)(H,152,189)(H,153,188)(H,154,194)(H,155,198)(H,156,199)(H,157,201)(H,158,183)(H,159,191)(H,160,195)(H,161,190)(H,162,186)(H,163,200)(H,164,187)(H,165,197)(H,166,196)(H,177,178)(H,179,180)(H,204,205)(H4,134,135,142)(H4,136,137,143)(H4,138,139,144)(H4,140,141,145)/t64-,65-,66-,67-,68+,69+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,99-,100-,101-/m0/s1" . "NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)C(O)C)C(CC)C)CC(C)C)CC(=O)N)C(CC)C)Cc1ccc(cc1)O)Cc1nc[nH]c1)CCCN=C(N)N)CC(C)C)C)CO)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CCCN=C(N)N)C)CCSC)CC(=O)O)CCC(=O)O)C)C)CC(=O)O)CCC(=O)O)CC(=O)N)CC(=O)O)NC(=O)C(NC(=O)C1CCCN1)CO " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC" . "KUMVUFICIDUBDZ-ZVYVYBDNSA-N" . "InChI=1S/C180H275N53O56S/c1-15-88(7)140(170(282)223-120(76-132(183)242)160(272)215-115(70-87(5)6)163(275)229-141(89(8)16-2)171(283)230-142(94(13)236)172(284)212-108(32-23-64-198-180(191)192)148(260)210-110(52-55-131(182)241)153(265)208-107(31-22-63-197-179(189)190)151(263)225-125(176(288)289)74-98-42-50-103(240)51-43-98)228-164(276)118(73-97-40-48-102(239)49-41-97)218-159(271)119(75-99-81-193-85-200-99)219-150(262)106(30-21-62-196-178(187)188)209-156(268)114(69-86(3)4)214-145(257)91(10)202-165(277)126(83-234)227-158(270)117(72-96-38-46-101(238)47-39-96)217-157(269)116(71-95-36-44-100(237)45-37-95)216-149(261)105(29-20-61-195-177(185)186)206-143(255)90(9)201-147(259)112(58-68-290-14)211-161(273)122(79-138(251)252)221-154(266)111(54-57-136(247)248)207-144(256)92(11)203-168(280)129-34-25-65-231(129)173(285)93(12)204-155(267)121(78-137(249)250)220-152(264)109(53-56-135(245)246)205-134(244)82-199-167(279)128-33-24-66-232(128)175(287)124(77-133(184)243)224-162(274)123(80-139(253)254)222-169(281)130-35-26-67-233(130)174(286)113(27-17-18-59-181)213-166(278)127(84-235)226-146(258)104-28-19-60-194-104/h36-51,81,85-94,104-130,140-142,194,234-240H,15-35,52-80,82-84,181H2,1-14H3,(H2,182,241)(H2,183,242)(H2,184,243)(H,193,200)(H,199,279)(H,201,259)(H,202,277)(H,203,280)(H,204,267)(H,205,244)(H,206,255)(H,207,256)(H,208,265)(H,209,268)(H,210,260)(H,211,273)(H,212,284)(H,213,278)(H,214,257)(H,215,272)(H,216,261)(H,217,269)(H,218,271)(H,219,262)(H,220,264)(H,221,266)(H,222,281)(H,223,282)(H,224,274)(H,225,263)(H,226,258)(H,227,270)(H,228,276)(H,229,275)(H,230,283)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,288,289)(H4,185,186,195)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)/t88-,89-,90-,91-,92-,93-,94+,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,140-,141-,142-/m0/s1" . "NC(=NCCCC(C(=O)NCCn1c(=O)n(n(c1=O)c1ccccc1)c1ccccc1)NC(=O)CC1(CCCC1)CC(=O)N1CCN(CC1)C1c2ccccc2NC(=O)c2c1cccc2)N" . "NC(=NCCC[C@@H](C(=O)NCCn1c(=O)n(n(c1=O)c1ccccc1)c1ccccc1)NC(=O)CC1(CCCC1)CC(=O)N1CCN(CC1)C1c2ccccc2NC(=O)c2c1cccc2)N" . "RSJAXPUYVJKAAA-JPGJPTAESA-N" . "InChI=1S/C49H57N11O6/c50-46(51)53-25-13-22-40(45(64)52-26-27-58-47(65)59(34-14-3-1-4-15-34)60(48(58)66)35-16-5-2-6-17-35)54-41(61)32-49(23-11-12-24-49)33-42(62)56-28-30-57(31-29-56)43-36-18-7-8-19-37(36)44(63)55-39-21-10-9-20-38(39)43/h1-10,14-21,40,43H,11-13,22-33H2,(H,52,64)(H,54,61)(H,55,63)(H4,50,51,53)/t40-,43?/m0/s1" . "NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)C(O)C)C(C)C)CC(C)C)CC(=O)N)CC(C)C)Cc1ccc(cc1)O)Cc1nc[nH]c1)CCCN=C(N)N)CC(C)C)CO)C)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CCCN=C(N)N)CO)CC(C)C)CCC(=O)O)CCC(=O)O)CO)C)CC(=O)O)CCC(=O)O)C)CCC(=O)O)NC(=O)C(N)C " . "CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C" . "ZNNVQCVFCHLUQQ-NYGOYQSZSA-N" . "InChI=1S/C176H271N51O55/c1-84(2)67-113(154(263)201-103(26-18-60-190-173(181)182)146(255)216-120(75-98-78-189-83-195-98)159(268)215-119(73-96-37-45-101(234)46-38-96)157(266)210-114(68-85(3)4)155(264)217-121(76-131(180)237)160(269)211-116(70-87(7)8)161(270)223-138(88(9)10)167(276)224-139(93(15)231)168(277)207-106(29-21-63-193-176(187)188)144(253)203-108(49-54-130(179)236)149(258)200-105(28-20-62-192-175(185)186)147(256)219-123(172(281)282)74-97-39-47-102(235)48-40-97)212-163(272)124(80-228)220-141(250)90(12)196-152(261)117(71-94-33-41-99(232)42-34-94)214-158(267)118(72-95-35-43-100(233)44-36-95)213-145(254)104(27-19-61-191-174(183)184)202-162(271)125(81-229)221-156(265)115(69-86(5)6)209-151(260)110(52-57-135(243)244)204-150(259)111(53-58-136(245)246)206-166(275)129-32-24-66-227(129)171(280)126(82-230)222-142(251)91(13)197-153(262)122(77-137(247)248)218-148(257)107(50-55-133(239)240)199-132(238)79-194-164(273)127-30-22-64-225(127)169(278)92(14)198-143(252)109(51-56-134(241)242)205-165(274)128-31-23-65-226(128)170(279)112(25-16-17-59-177)208-140(249)89(11)178/h33-48,78,83-93,103-129,138-139,228-235H,16-32,49-77,79-82,177-178H2,1-15H3,(H2,179,236)(H2,180,237)(H,189,195)(H,194,273)(H,196,261)(H,197,262)(H,198,252)(H,199,238)(H,200,258)(H,201,263)(H,202,271)(H,203,253)(H,204,259)(H,205,274)(H,206,275)(H,207,277)(H,208,249)(H,209,260)(H,210,266)(H,211,269)(H,212,272)(H,213,254)(H,214,267)(H,215,268)(H,216,255)(H,217,264)(H,218,257)(H,219,256)(H,220,250)(H,221,265)(H,222,251)(H,223,270)(H,224,276)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,281,282)(H4,181,182,190)(H4,183,184,191)(H4,185,186,192)(H4,187,188,193)/t89-,90-,91-,92-,93+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,138-,139-/m0/s1" . "CN(CC1CCC(CC1)CN=C(c1ccc(cc1)CC(C(=O)N1CCCC1)NC(=O)C(NS(=O)(=O)c1ccc2c(c1)cccc2)Cc1ccccc1)N)C" . "CN(C[C@@H]1CC[C@@H](CC1)C/N=C(/c1ccc(cc1)C[C@H](C(=O)N1CCCC1)NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)cccc2)Cc1ccccc1)/N)C" . "GKKPXBHNFVDHAQ-GWOGJWAKSA-N" . "InChI=1S/C43H54N6O4S/c1-48(2)30-34-16-14-33(15-17-34)29-45-41(44)36-20-18-32(19-21-36)27-40(43(51)49-24-8-9-25-49)46-42(50)39(26-31-10-4-3-5-11-31)47-54(52,53)38-23-22-35-12-6-7-13-37(35)28-38/h3-7,10-13,18-23,28,33-34,39-40,47H,8-9,14-17,24-27,29-30H2,1-2H3,(H2,44,45)(H,46,50)/t33-,34+,39-,40-/m1/s1" . "CCC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(Cc1nc[nH]c1)N)Cc1ccc(cc1)O)CC(=O)N)CC(C)C)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC" . "ZPFZDAIKXDRLLT-ANSQDGHYSA-N" . "InChI=1S/C67H105N21O17/c1-8-34(5)52(86-61(100)47(27-37-14-18-40(90)19-15-37)82-55(94)42(68)29-39-31-75-32-78-39)62(101)84-48(30-51(70)93)59(98)83-46(26-33(3)4)60(99)87-53(35(6)9-2)63(102)88-54(36(7)89)64(103)81-44(13-11-25-77-67(73)74)56(95)80-45(22-23-50(69)92)58(97)79-43(12-10-24-76-66(71)72)57(96)85-49(65(104)105)28-38-16-20-41(91)21-17-38/h14-21,31-36,42-49,52-54,89-91H,8-13,22-30,68H2,1-7H3,(H2,69,92)(H2,70,93)(H,75,78)(H,79,97)(H,80,95)(H,81,103)(H,82,94)(H,83,98)(H,84,101)(H,85,96)(H,86,100)(H,87,99)(H,88,102)(H,104,105)(H4,71,72,76)(H4,73,74,77)/t34-,35-,36+,42-,43-,44-,45-,46-,47-,48-,49-,52-,53-,54-/m0/s1" . "CCC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CO)N)C)CC(C)C)CCCN=C(N)N)Cc1nc[nH]c1)Cc1ccc(cc1)O)CC(=O)N)CC(C)C)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC" . "RJIICOGGNWIKON-PIJSUOSGSA-N" . "InChI=1S/C85H138N28O22/c1-11-43(7)65(111-78(130)59(34-47-19-23-50(116)24-20-47)107-75(127)60(36-49-38-95-40-99-49)108-71(123)53(16-13-29-96-83(89)90)102-74(126)57(32-41(3)4)105-68(120)45(9)100-69(121)52(86)39-114)79(131)109-61(37-64(88)119)76(128)106-58(33-42(5)6)77(129)112-66(44(8)12-2)80(132)113-67(46(10)115)81(133)104-55(18-15-31-98-85(93)94)70(122)103-56(27-28-63(87)118)73(125)101-54(17-14-30-97-84(91)92)72(124)110-62(82(134)135)35-48-21-25-51(117)26-22-48/h19-26,38,40-46,52-62,65-67,114-117H,11-18,27-37,39,86H2,1-10H3,(H2,87,118)(H2,88,119)(H,95,99)(H,100,121)(H,101,125)(H,102,126)(H,103,122)(H,104,133)(H,105,120)(H,106,128)(H,107,127)(H,108,123)(H,109,131)(H,110,124)(H,111,130)(H,112,129)(H,113,132)(H,134,135)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t43-,44-,45-,46+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-,66-,67-/m0/s1" . "OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)C(O)C)C(CC)C)CC(C)C)CC(=O)N)C(CC)C)Cc1ccc(cc1)O)Cc1c[nH]cn1)CCCN=C(N)N)CC(C)C)C)NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)Cc1ccc(cc1)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC" . "XFZMLFVKLYDVQS-DNSVIXQOSA-N" . "InChI=1S/C103H156N30O26/c1-11-53(7)81(97(155)128-76(47-80(106)141)93(151)125-72(41-52(5)6)94(152)132-82(54(8)12-2)98(156)133-83(56(10)135)99(157)122-69(18-15-39-116-103(111)112)86(144)121-70(35-36-79(105)140)89(147)119-68(17-14-38-115-102(109)110)88(146)129-77(100(158)159)45-60-25-33-65(139)34-26-60)131-95(153)74(44-59-23-31-64(138)32-24-59)126-92(150)75(46-61-48-113-50-117-61)127-87(145)67(16-13-37-114-101(107)108)120-90(148)71(40-51(3)4)123-84(142)55(9)118-96(154)78(49-134)130-91(149)73(43-58-21-29-63(137)30-22-58)124-85(143)66(104)42-57-19-27-62(136)28-20-57/h19-34,48,50-56,66-78,81-83,134-139H,11-18,35-47,49,104H2,1-10H3,(H2,105,140)(H2,106,141)(H,113,117)(H,118,154)(H,119,147)(H,120,148)(H,121,144)(H,122,157)(H,123,142)(H,124,143)(H,125,151)(H,126,150)(H,127,145)(H,128,155)(H,129,146)(H,130,149)(H,131,153)(H,132,152)(H,133,156)(H,158,159)(H4,107,108,114)(H4,109,110,115)(H4,111,112,116)/t53-,54-,55-,56+,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,81-,82-,83-/m0/s1" . "CCC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)C(O)C)C(CC)C)CC(C)C)CC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)O)N)CC(C)C)C)CCCN=C(N)N)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CO)C)CC(C)C)CCCN=C(N)N)Cc1nc[nH]c1)Cc1ccc(cc1)O)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC" . "MFPLULVWBOUSAT-LJPWCPOGSA-N" . "InChI=1S/C122H189N37O32/c1-14-62(9)95(115(187)154-89(55-93(125)167)111(183)149-84(48-61(7)8)112(184)158-96(63(10)15-2)116(188)159-97(66(13)161)117(189)146-80(23-19-45-138-122(132)133)101(173)145-81(40-41-92(124)166)105(177)143-79(22-18-44-137-121(130)131)104(176)155-90(118(190)191)52-70-30-38-75(165)39-31-70)157-113(185)87(51-69-28-36-74(164)37-29-69)152-110(182)88(53-71-56-134-58-139-71)153-103(175)78(21-17-43-136-120(128)129)144-107(179)83(47-60(5)6)147-99(171)65(12)141-114(186)91(57-160)156-109(181)86(50-68-26-34-73(163)35-27-68)151-108(180)85(49-67-24-32-72(162)33-25-67)150-102(174)77(20-16-42-135-119(126)127)142-98(170)64(11)140-106(178)82(46-59(3)4)148-100(172)76(123)54-94(168)169/h24-39,56,58-66,76-91,95-97,160-165H,14-23,40-55,57,123H2,1-13H3,(H2,124,166)(H2,125,167)(H,134,139)(H,140,178)(H,141,186)(H,142,170)(H,143,177)(H,144,179)(H,145,173)(H,146,189)(H,147,171)(H,148,172)(H,149,183)(H,150,174)(H,151,180)(H,152,182)(H,153,175)(H,154,187)(H,155,176)(H,156,181)(H,157,185)(H,158,184)(H,159,188)(H,168,169)(H,190,191)(H4,126,127,135)(H4,128,129,136)(H4,130,131,137)(H4,132,133,138)/t62-,63-,64-,65-,66+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,95-,96-,97-/m0/s1" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)C(O)C)C(CC)C)CC(C)C)CC(=O)N)C(CC)C)Cc1ccc(cc1)O)Cc1nc[nH]c1)CCCN=C(N)N)CC(C)C)C)CO)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CCCN=C(N)N)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1)C)CCC(=O)O)CC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC" . "WNYKZOWMSHGMPJ-YGPTWXQHSA-N" . "InChI=1S/C134H206N40O37S/c1-14-67(7)104(127(207)169-96(60-101(136)182)122(202)163-91(54-66(5)6)124(204)173-105(68(8)15-2)128(208)174-106(72(12)176)129(209)161-86(25-20-51-150-134(143)144)112(192)159-87(42-44-100(135)181)116(196)157-85(24-19-50-149-133(141)142)115(195)170-98(130(210)211)58-76-32-40-81(180)41-33-76)172-125(205)94(57-75-30-38-80(179)39-31-75)166-121(201)95(59-77-62-145-64-151-77)167-114(194)84(23-18-49-148-132(139)140)158-118(198)90(53-65(3)4)162-109(189)71(11)154-126(206)99(63-175)171-120(200)93(56-74-28-36-79(178)37-29-74)165-119(199)92(55-73-26-34-78(177)35-27-73)164-113(193)83(22-17-48-147-131(137)138)155-107(187)70(10)153-111(191)89(46-52-212-13)160-123(203)97(61-103(185)186)168-117(197)88(43-45-102(183)184)156-108(188)69(9)152-110(190)82-21-16-47-146-82/h26-41,62,64-72,82-99,104-106,146,175-180H,14-25,42-61,63H2,1-13H3,(H2,135,181)(H2,136,182)(H,145,151)(H,152,190)(H,153,191)(H,154,206)(H,155,187)(H,156,188)(H,157,196)(H,158,198)(H,159,192)(H,160,203)(H,161,209)(H,162,189)(H,163,202)(H,164,193)(H,165,199)(H,166,201)(H,167,194)(H,168,197)(H,169,207)(H,170,195)(H,171,200)(H,172,205)(H,173,204)(H,174,208)(H,183,184)(H,185,186)(H,210,211)(H4,137,138,147)(H4,139,140,148)(H4,141,142,149)(H4,143,144,150)/t67-,68-,69-,70-,71-,72+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,104-,105-,106-/m0/s1" . "NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccc(cc1)O)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)C(O)C)C(CC)C)CC(C)C)CC(=O)N)C(CC)C)Cc1ccc(cc1)O)Cc1c[nH]cn1)CCCN=C(N)N)CC(C)C)C)CO)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CCCN=C(N)N)C)CCSC)CC(=O)O)CCC(=O)O)C)C)CC(=O)O)CCC(=O)O)CC(=O)N)CC(=O)O)NC(=O)C(NC(=O)C1CCCN1C(=O)C(Cc1ccc(cc1)O)N)CO " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC" . "XKWCTHKJQNUFOQ-HRPSIEBRSA-N" . "InChI=1S/C189H285N55O57S/c1-15-93(7)148(179(295)234-128(81-140(193)254)168(284)226-123(74-92(5)6)171(287)239-149(94(8)16-2)180(296)240-150(99(13)247)181(297)222-115(31-22-67-208-189(202)203)156(272)220-117(56-59-139(192)253)161(277)218-113(29-20-65-206-187(198)199)157(273)224-121(151(195)267)76-101-38-48-107(249)49-39-101)238-172(288)126(79-104-44-54-110(252)55-45-104)229-167(283)127(80-105-86-204-90-210-105)230-159(275)114(30-21-66-207-188(200)201)219-164(280)122(73-91(3)4)225-154(270)96(10)212-173(289)133(88-245)236-166(282)125(78-103-42-52-109(251)53-43-103)228-165(281)124(77-102-40-50-108(250)51-41-102)227-158(274)112(28-19-64-205-186(196)197)216-152(268)95(9)211-155(271)119(62-72-302-14)221-169(285)130(84-146(263)264)232-162(278)118(58-61-144(259)260)217-153(269)97(11)213-176(292)136-33-24-68-241(136)182(298)98(12)214-163(279)129(83-145(261)262)231-160(276)116(57-60-143(257)258)215-142(256)87-209-175(291)135-32-23-70-243(135)185(301)132(82-141(194)255)235-170(286)131(85-147(265)266)233-177(293)138-35-26-71-244(138)184(300)120(27-17-18-63-190)223-174(290)134(89-246)237-178(294)137-34-25-69-242(137)183(299)111(191)75-100-36-46-106(248)47-37-100/h36-55,86,90-99,111-138,148-150,245-252H,15-35,56-85,87-89,190-191H2,1-14H3,(H2,192,253)(H2,193,254)(H2,194,255)(H2,195,267)(H,204,210)(H,209,291)(H,211,271)(H,212,289)(H,213,292)(H,214,279)(H,215,256)(H,216,268)(H,217,269)(H,218,277)(H,219,280)(H,220,272)(H,221,285)(H,222,297)(H,223,290)(H,224,273)(H,225,270)(H,226,284)(H,227,274)(H,228,281)(H,229,283)(H,230,275)(H,231,276)(H,232,278)(H,233,293)(H,234,295)(H,235,286)(H,236,282)(H,237,294)(H,238,288)(H,239,287)(H,240,296)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t93-,94-,95-,96-,97-,98-,99+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,148-,149-,150-/m0/s1" . "OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)C(O)C)C(C)C)CC(C)C)CC(=O)N)CC(C)C)Cc1ccc(cc1)O)Cc1nc[nH]c1)CCCN=C(N)N)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(CO)N)CCC(=O)O)CCC(=O)O)CC(C)C)CO)CCCN=C(N)N)Cc1ccc(cc1)O)Cc1ccc(cc1)O)C " . "CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C" . "IAZLNMARDOOODL-PRZASUQOSA-N" . "InChI=1S/C135H208N40O39/c1-65(2)50-89(164-126(208)99(62-177)171-108(190)70(11)153-116(198)93(54-72-23-31-77(180)32-24-72)166-121(203)94(55-73-25-33-78(181)34-26-73)165-110(192)83(19-14-46-149-133(141)142)156-125(207)100(63-178)172-119(201)91(52-67(5)6)161-115(197)87(40-43-104(186)187)158-114(196)88(41-44-105(188)189)159-127(209)101-22-17-49-175(101)130(212)81(136)61-176)117(199)155-82(18-13-45-148-132(139)140)111(193)168-96(58-76-60-147-64-152-76)122(204)167-95(56-74-27-35-79(182)36-28-74)120(202)162-90(51-66(3)4)118(200)169-97(59-103(138)185)123(205)163-92(53-68(7)8)124(206)173-106(69(9)10)128(210)174-107(71(12)179)129(211)160-85(21-16-48-151-135(145)146)109(191)157-86(39-42-102(137)184)113(195)154-84(20-15-47-150-134(143)144)112(194)170-98(131(213)214)57-75-29-37-80(183)38-30-75/h23-38,60,64-71,81-101,106-107,176-183H,13-22,39-59,61-63,136H2,1-12H3,(H2,137,184)(H2,138,185)(H,147,152)(H,153,198)(H,154,195)(H,155,199)(H,156,207)(H,157,191)(H,158,196)(H,159,209)(H,160,211)(H,161,197)(H,162,202)(H,163,205)(H,164,208)(H,165,192)(H,166,203)(H,167,204)(H,168,193)(H,169,200)(H,170,194)(H,171,190)(H,172,201)(H,173,206)(H,174,210)(H,186,187)(H,188,189)(H,213,214)(H4,139,140,148)(H4,141,142,149)(H4,143,144,150)(H4,145,146,151)/t70-,71+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,106-,107-/m0/s1" . "NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)C(O)C)C(CC)C)CC(C)C)CC(=O)N)C(CC)C)Cc1ccc(cc1)O)Cc1nc[nH]c1)CCCN=C(N)N)CC(C)C)C)CO)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CCCN=C(N)N)C)CC(C)C)CC(=O)O)CCC(=O)O)C)C)CC(=O)O)CCC(=O)O)CC(=O)N)CC(=O)O)NC(=O)C(CO)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC" . "CDGOTJUJFRUDRO-QJAFYHIKSA-N" . "InChI=1S/C176H270N52O55/c1-16-86(9)137(166(276)219-118(73-129(180)237)157(267)211-113(67-85(7)8)160(270)224-138(87(10)17-2)167(277)225-139(92(15)231)168(278)207-106(31-23-61-194-176(188)189)144(254)206-108(51-54-128(179)236)149(259)204-105(30-22-60-193-175(186)187)147(257)221-123(172(282)283)71-96-41-49-101(235)50-42-96)223-161(271)116(70-95-39-47-100(234)48-40-95)214-156(266)117(72-97-78-190-82-196-97)215-146(256)104(29-21-59-192-174(184)185)205-153(263)112(66-84(5)6)209-142(252)89(12)198-162(272)124(81-230)222-155(265)115(69-94-37-45-99(233)46-38-94)213-154(264)114(68-93-35-43-98(232)44-36-93)212-145(255)103(28-20-58-191-173(182)183)202-140(250)88(11)197-151(261)111(65-83(3)4)210-158(268)120(76-135(246)247)217-150(260)109(53-56-133(242)243)203-141(251)90(13)199-164(274)126-33-25-62-226(126)169(279)91(14)200-152(262)119(75-134(244)245)216-148(258)107(52-55-132(240)241)201-131(239)79-195-163(273)125-32-24-63-227(125)171(281)122(74-130(181)238)220-159(269)121(77-136(248)249)218-165(275)127-34-26-64-228(127)170(280)110(27-18-19-57-177)208-143(253)102(178)80-229/h35-50,78,82-92,102-127,137-139,229-235H,16-34,51-77,79-81,177-178H2,1-15H3,(H2,179,236)(H2,180,237)(H2,181,238)(H,190,196)(H,195,273)(H,197,261)(H,198,272)(H,199,274)(H,200,262)(H,201,239)(H,202,250)(H,203,251)(H,204,259)(H,205,263)(H,206,254)(H,207,278)(H,208,253)(H,209,252)(H,210,268)(H,211,267)(H,212,255)(H,213,264)(H,214,266)(H,215,256)(H,216,258)(H,217,260)(H,218,275)(H,219,276)(H,220,269)(H,221,257)(H,222,265)(H,223,271)(H,224,270)(H,225,277)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,282,283)(H4,182,183,191)(H4,184,185,192)(H4,186,187,193)(H4,188,189,194)/t86-,87-,88-,89-,90-,91-,92+,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,137-,138-,139-/m0/s1" . "NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)C(O)C)C(CC)C)CC(C)C)CC(=O)N)C(CC)C)Cc1ccc(cc1)O)Cc1nc[nH]c1)CCCN=C(N)N)CC(C)C)C)CO)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CCCN=C(N)N)C)CC(C)C)CC(=O)O)CCC(=O)O)C)C)CC(=O)O)CCC(=O)O)CC(=O)N)CC(=O)O)NC(=O)C(NC(=O)C1CCCN1)CO " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC" . "GUKLQUDKMJJAKW-XLUSCKSJSA-N" . "InChI=1S/C181H277N53O56/c1-16-89(9)141(171(283)224-121(76-133(184)243)161(273)216-116(70-88(7)8)164(276)230-142(90(10)17-2)172(284)231-143(95(15)237)173(285)212-109(33-24-64-199-181(192)193)148(260)211-111(53-56-132(183)242)153(265)209-108(32-23-63-198-180(190)191)151(263)226-126(177(289)290)74-99-43-51-104(241)52-44-99)229-165(277)119(73-98-41-49-103(240)50-42-98)219-160(272)120(75-100-81-194-85-201-100)220-150(262)107(31-22-62-197-179(188)189)210-157(269)115(69-87(5)6)214-146(258)92(12)203-166(278)127(83-235)228-159(271)118(72-97-39-47-102(239)48-40-97)218-158(270)117(71-96-37-45-101(238)46-38-96)217-149(261)106(30-21-61-196-178(186)187)207-144(256)91(11)202-155(267)114(68-86(3)4)215-162(274)123(79-139(252)253)222-154(266)112(55-58-137(248)249)208-145(257)93(13)204-169(281)130-35-26-65-232(130)174(286)94(14)205-156(268)122(78-138(250)251)221-152(264)110(54-57-136(246)247)206-135(245)82-200-168(280)129-34-25-66-233(129)176(288)125(77-134(185)244)225-163(275)124(80-140(254)255)223-170(282)131-36-27-67-234(131)175(287)113(28-18-19-59-182)213-167(279)128(84-236)227-147(259)105-29-20-60-195-105/h37-52,81,85-95,105-131,141-143,195,235-241H,16-36,53-80,82-84,182H2,1-15H3,(H2,183,242)(H2,184,243)(H2,185,244)(H,194,201)(H,200,280)(H,202,267)(H,203,278)(H,204,281)(H,205,268)(H,206,245)(H,207,256)(H,208,257)(H,209,265)(H,210,269)(H,211,260)(H,212,285)(H,213,279)(H,214,258)(H,215,274)(H,216,273)(H,217,261)(H,218,270)(H,219,272)(H,220,262)(H,221,264)(H,222,266)(H,223,282)(H,224,283)(H,225,275)(H,226,263)(H,227,259)(H,228,271)(H,229,277)(H,230,276)(H,231,284)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,289,290)(H4,186,187,196)(H4,188,189,197)(H4,190,191,198)(H4,192,193,199)/t89-,90-,91-,92-,93-,94-,95+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,141-,142-,143-/m0/s1" . "O=C(NC1=NC(=O)CN1C)Nc1cccc(c1)Cl" . "O=C(NC1=NC(=O)CN1C)Nc1cccc(c1)Cl" . "DWPQODZAOSWNHB-UHFFFAOYSA-N" . "InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18)" . "O=C(NC1=NC(=O)CN1C)Nc1cccc(c1)Cl" . "O=C(NC1=NC(=O)CN1C)Nc1cccc(c1)Cl" . "DWPQODZAOSWNHB-UHFFFAOYSA-N" . "InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18)" . "CCC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)C(O)C)C(CC)C)CC(C)C)CC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1)C)CCC(=O)O)CC(=O)O)CC(C)C)C)CCCN=C(N)N)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CO)C)CC(C)C)CCCN=C(N)N)Cc1nc[nH]c1)Cc1ccc(cc1)O)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC" . "BJKPGURDHQQYOX-QGTLAHJGSA-N" . "InChI=1S/C135H208N40O37/c1-15-68(9)105(128(208)170-97(60-102(137)183)123(203)164-92(54-67(7)8)125(205)174-106(69(10)16-2)129(209)175-107(73(14)177)130(210)161-87(26-21-51-151-135(144)145)112(192)160-88(43-45-101(136)182)116(196)158-86(25-20-50-150-134(142)143)115(195)171-99(131(211)212)58-77-33-41-82(181)42-34-77)173-126(206)95(57-76-31-39-81(180)40-32-76)167-122(202)96(59-78-62-146-64-152-78)168-114(194)85(24-19-49-149-133(140)141)159-119(199)91(53-66(5)6)162-110(190)72(13)155-127(207)100(63-176)172-121(201)94(56-75-29-37-80(179)38-30-75)166-120(200)93(55-74-27-35-79(178)36-28-74)165-113(193)84(23-18-48-148-132(138)139)156-108(188)71(12)154-118(198)90(52-65(3)4)163-124(204)98(61-104(186)187)169-117(197)89(44-46-103(184)185)157-109(189)70(11)153-111(191)83-22-17-47-147-83/h27-42,62,64-73,83-100,105-107,147,176-181H,15-26,43-61,63H2,1-14H3,(H2,136,182)(H2,137,183)(H,146,152)(H,153,191)(H,154,198)(H,155,207)(H,156,188)(H,157,189)(H,158,196)(H,159,199)(H,160,192)(H,161,210)(H,162,190)(H,163,204)(H,164,203)(H,165,193)(H,166,200)(H,167,202)(H,168,194)(H,169,197)(H,170,208)(H,171,195)(H,172,201)(H,173,206)(H,174,205)(H,175,209)(H,184,185)(H,186,187)(H,211,212)(H4,138,139,148)(H4,140,141,149)(H4,142,143,150)(H4,144,145,151)/t68-,69-,70-,71-,72-,73+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,105-,106-,107-/m0/s1" . "NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccc(cc1)O)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)C(O)C)C(CC)C)CC(C)C)CC(=O)N)C(CC)C)Cc1ccc(cc1)O)Cc1c[nH]cn1)CCCN=C(N)N)CC(C)C)C)CO)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CCCN=C(N)N)C)CCSC)CC(=O)O)CCC(=O)O)C)C)CC(=O)O)CCC(=O)O)CC(=O)N)CC(=O)O)NC(=O)C(NC(=O)C1CCCN1C(=O)C(Cc1ccc(cc1)O)N)CO" . "NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccc(cc1)O)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)[C@H](O)C)[C@H](CC)C)CC(C)C)CC(=O)N)[C@H](CC)C)Cc1ccc(cc1)O)Cc1c[nH]cn1)CCCN=C(N)N)CC(C)C)C)CO)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CCCN=C(N)N)C)CCSC)CC(=O)O)CCC(=O)O)C)C)CC(=O)O)CCC(=O)O)CC(=O)N)CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)O)N)CO" . "XKWCTHKJQNUFOQ-HRPSIEBRSA-N" . "InChI=1S/C189H285N55O57S/c1-15-93(7)148(179(295)234-128(81-140(193)254)168(284)226-123(74-92(5)6)171(287)239-149(94(8)16-2)180(296)240-150(99(13)247)181(297)222-115(31-22-67-208-189(202)203)156(272)220-117(56-59-139(192)253)161(277)218-113(29-20-65-206-187(198)199)157(273)224-121(151(195)267)76-101-38-48-107(249)49-39-101)238-172(288)126(79-104-44-54-110(252)55-45-104)229-167(283)127(80-105-86-204-90-210-105)230-159(275)114(30-21-66-207-188(200)201)219-164(280)122(73-91(3)4)225-154(270)96(10)212-173(289)133(88-245)236-166(282)125(78-103-42-52-109(251)53-43-103)228-165(281)124(77-102-40-50-108(250)51-41-102)227-158(274)112(28-19-64-205-186(196)197)216-152(268)95(9)211-155(271)119(62-72-302-14)221-169(285)130(84-146(263)264)232-162(278)118(58-61-144(259)260)217-153(269)97(11)213-176(292)136-33-24-68-241(136)182(298)98(12)214-163(279)129(83-145(261)262)231-160(276)116(57-60-143(257)258)215-142(256)87-209-175(291)135-32-23-70-243(135)185(301)132(82-141(194)255)235-170(286)131(85-147(265)266)233-177(293)138-35-26-71-244(138)184(300)120(27-17-18-63-190)223-174(290)134(89-246)237-178(294)137-34-25-69-242(137)183(299)111(191)75-100-36-46-106(248)47-37-100/h36-55,86,90-99,111-138,148-150,245-252H,15-35,56-85,87-89,190-191H2,1-14H3,(H2,192,253)(H2,193,254)(H2,194,255)(H2,195,267)(H,204,210)(H,209,291)(H,211,271)(H,212,289)(H,213,292)(H,214,279)(H,215,256)(H,216,268)(H,217,269)(H,218,277)(H,219,280)(H,220,272)(H,221,285)(H,222,297)(H,223,290)(H,224,273)(H,225,270)(H,226,284)(H,227,274)(H,228,281)(H,229,283)(H,230,275)(H,231,276)(H,232,278)(H,233,293)(H,234,295)(H,235,286)(H,236,282)(H,237,294)(H,238,288)(H,239,287)(H,240,296)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t93-,94-,95-,96-,97-,98-,99+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,148-,149-,150-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)O)CC(C)C)CCSC)CC(C)C)CC(C)C)C)C)CCCN=C(N)N)C(C)C)C(O)C)Cc1nc[nH]c1)Cc1ccc(cc1)O)CCCN=C(N)N)CO)C)C(C)C)Cc1nc[nH]c1)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)N)Cc1ccc(cc1)O " . "CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O" . "AKMMHLDUORFPQZ-BKMDBHAQSA-N" . "InChI=1S/C119H183N35O28S/c1-60(2)43-83(106(170)146-84(44-61(3)4)107(171)143-82(37-42-183-15)102(166)132-55-94(161)141-89(117(181)182)45-62(5)6)140-93(160)54-131-98(162)65(11)136-99(163)66(12)137-103(167)79(26-20-39-128-118(122)123)139-92(159)56-133-113(177)95(63(7)8)152-115(179)97(68(14)156)153-111(175)88(50-73-53-127-59-135-73)149-109(173)86(47-70-31-35-75(158)36-32-70)147-105(169)81(27-21-40-129-119(124)125)144-112(176)91-28-22-41-154(91)116(180)90(57-155)150-100(164)67(13)138-114(178)96(64(9)10)151-110(174)87(49-72-52-126-58-134-72)148-104(168)80(25-18-19-38-120)142-108(172)85(46-69-29-33-74(157)34-30-69)145-101(165)77(121)48-71-51-130-78-24-17-16-23-76(71)78/h16-17,23-24,29-36,51-53,58-68,77,79-91,95-97,130,155-158H,18-22,25-28,37-50,54-57,120-121H2,1-15H3,(H,126,134)(H,127,135)(H,131,162)(H,132,166)(H,133,177)(H,136,163)(H,137,167)(H,138,178)(H,139,159)(H,140,160)(H,141,161)(H,142,172)(H,143,171)(H,144,176)(H,145,165)(H,146,170)(H,147,169)(H,148,168)(H,149,173)(H,150,164)(H,151,174)(H,152,179)(H,153,175)(H,181,182)(H4,122,123,128)(H4,124,125,129)/t65-,66-,67-,68+,77-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,95-,96-,97-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N)CC(=O)N)CCCN=C(N)N)CCCN=C(N)N)Cc1ccccc1)CC(C)C)Cc1ccccc1)Cc1ccccc1)CO)C)C(C)C)CCC(=O)N)Cc1ccc(cc1)O)CCC(=O)O)CC(=O)N)C(C)C)NC(=O)C(Cc1ccc(cc1)O)N " . "CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O" . "YYDRKWCPVLDJJD-XOXVDEAXSA-N" . "InChI=1S/C124H180N34O31/c1-66(2)54-84(110(177)150-86(57-71-26-13-9-14-27-71)113(180)146-82(32-20-50-136-124(133)134)122(189)158-53-23-35-93(158)116(183)145-79(31-19-49-135-123(131)132)107(174)147-83(103(130)170)60-95(128)163)148-114(181)87(58-72-28-15-10-16-29-72)151-111(178)85(56-70-24-11-8-12-25-70)141-98(166)63-137-97(165)62-138-106(173)90(65-159)153-117(184)92-34-22-52-157(92)121(188)69(7)140-119(186)101(67(3)4)155-118(185)91-33-21-51-156(91)99(167)64-139-105(172)80(44-46-94(127)162)143-112(179)88(59-74-38-42-76(161)43-39-74)149-108(175)81(45-47-100(168)169)144-115(182)89(61-96(129)164)152-120(187)102(68(5)6)154-109(176)78(30-17-18-48-125)142-104(171)77(126)55-73-36-40-75(160)41-37-73/h8-16,24-29,36-43,66-69,77-93,101-102,159-161H,17-23,30-35,44-65,125-126H2,1-7H3,(H2,127,162)(H2,128,163)(H2,129,164)(H2,130,170)(H,137,165)(H,138,173)(H,139,172)(H,140,186)(H,141,166)(H,142,171)(H,143,179)(H,144,182)(H,145,183)(H,146,180)(H,147,174)(H,148,181)(H,149,175)(H,150,177)(H,151,178)(H,152,187)(H,153,184)(H,154,176)(H,155,185)(H,168,169)(H4,131,132,135)(H4,133,134,136)/t69-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,101-,102-/m0/s1" . "OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CCCN=C(N)N)CCC(=O)N)C)C)CC(C)C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(CCC(=O)O)N)Cc1ccc(cc1)O " . "CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O" . "JGHPDOKJMQTPSY-NNVBHMPUSA-N" . "InChI=1S/C65H91N17O16/c1-34(2)28-47(79-62(96)50(33-83)81-61(95)49(31-39-32-72-43-15-9-8-14-41(39)43)80-60(94)48(30-38-18-20-40(84)21-19-38)78-56(90)42(66)22-25-53(86)87)59(93)73-35(3)55(89)74-36(4)64(98)82-27-11-17-51(82)63(97)76-45(23-24-52(67)85)58(92)75-44(16-10-26-71-65(69)70)57(91)77-46(54(68)88)29-37-12-6-5-7-13-37/h5-9,12-15,18-21,32,34-36,42,44-51,72,83-84H,10-11,16-17,22-31,33,66H2,1-4H3,(H2,67,85)(H2,68,88)(H,73,93)(H,74,89)(H,75,92)(H,76,97)(H,77,91)(H,78,90)(H,79,96)(H,80,94)(H,81,95)(H,86,87)(H4,69,70,71)/t35-,36-,42-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1" . "NC(=N)NCCCC(C(=O)NC(C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3" . "NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)C12CC3CC(C2)CC(C1)C3" . "UMKHUSRDQFQHAK-RNJMTYCLSA-N" . "InChI=1S/C26H38N6O3/c27-22(33)21(12-16-5-2-1-3-6-16)31-23(34)20(7-4-8-30-25(28)29)32-24(35)26-13-17-9-18(14-26)11-19(10-17)15-26/h1-3,5-6,17-21H,4,7-15H2,(H2,27,33)(H,31,34)(H,32,35)(H4,28,29,30)/t17?,18?,19?,20-,21-,26?/m0/s1" . "O=C(C(NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O" . "O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O" . "KUWBXRGRMQZCSS-HSZRJFAPSA-N" . "InChI=1S/C27H31N5O3/c28-27(29)30-17-7-12-23(25(34)31-18-19-13-15-22(33)16-14-19)32-26(35)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,23-24,33H,7,12,17-18H2,(H,31,34)(H,32,35)(H4,28,29,30)/t23-/m1/s1" . "COC(=O)C1=CCCN(C1)C" . "COC(=O)C1=CCCN(C1)C" . "HJJPJSXJAXAIPN-UHFFFAOYSA-N" . "InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3" . "CC(CC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CCCN=C(N)N)CCC(=O)N)NC(=O)C(NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(Cc1ccc(cc1)O)N)CC(=O)N)C " . "CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O" . "STIKMBSUWSFACN-OQGPALKGSA-N" . "InChI=1S/C54H81N15O12/c1-29(2)25-39(66-49(77)38(28-43(57)72)65-51(79)41-15-10-24-69(41)53(81)44(30(3)4)67-46(74)34(55)26-32-16-18-33(70)19-17-32)52(80)68-23-9-14-40(68)50(78)63-36(20-21-42(56)71)48(76)62-35(13-8-22-61-54(59)60)47(75)64-37(45(58)73)27-31-11-6-5-7-12-31/h5-7,11-12,16-19,29-30,34-41,44,70H,8-10,13-15,20-28,55H2,1-4H3,(H2,56,71)(H2,57,72)(H2,58,73)(H,62,76)(H,63,78)(H,64,75)(H,65,79)(H,66,77)(H,67,74)(H4,59,60,61)/t34-,35-,36-,37-,38-,39-,40-,41-,44-/m0/s1" . "CC(CC(N(C(=O)C(Cc1ccc(cc1)O)N)C)C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CCCN=C(N)N)CCC(=O)N)CCC(=O)N)Cc1ccccc1)C" . "CC(C[C@H](N(C(=O)[C@H](Cc1ccc(cc1)O)N)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CCCN=C(N)N)CCC(=O)N)CCC(=O)N)Cc1ccccc1)C" . "UQGBICZACVFETI-YTAGXALCSA-N" . "InChI=1S/C55H78N14O11/c1-32(2)28-44(68(3)53(79)37(56)29-35-18-20-36(70)21-19-35)52(78)67-42(31-34-14-8-5-9-15-34)50(76)65-40(23-25-46(58)72)54(80)69-27-11-17-43(69)51(77)64-39(22-24-45(57)71)49(75)63-38(16-10-26-62-55(60)61)48(74)66-41(47(59)73)30-33-12-6-4-7-13-33/h4-9,12-15,18-21,32,37-44,70H,10-11,16-17,22-31,56H2,1-3H3,(H2,57,71)(H2,58,72)(H2,59,73)(H,63,75)(H,64,77)(H,65,76)(H,66,74)(H,67,78)(H4,60,61,62)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1" . "CC(CC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)CC(=O)N)CCCN=C(N)N)CCCN=C(N)N)Cc1ccccc1)NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)Cc1ccccc1)C " . "CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O" . "YUTFGQVEVLPRJQ-AQJXLSMYSA-N" . "InChI=1S/C54H77N15O11/c1-31(2)26-39(66-49(76)40(28-32-12-5-3-6-13-32)65-45(72)36(55)27-34-19-21-35(70)22-20-34)47(74)67-41(29-33-14-7-4-8-15-33)48(75)64-38(17-10-24-62-54(59)60)51(78)69-25-11-18-43(69)50(77)63-37(16-9-23-61-53(57)58)46(73)68-42(52(79)80)30-44(56)71/h3-8,12-15,19-22,31,36-43,70H,9-11,16-18,23-30,55H2,1-2H3,(H2,56,71)(H,63,77)(H,64,75)(H,65,72)(H,66,76)(H,67,74)(H,68,73)(H,79,80)(H4,57,58,61)(H4,59,60,62)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1" . "CCC1OC(=O)C(C)C(OC2OC(C)CC(C2)(C)OC)C(C)C(C2(OC(=C(C)C2)C(C(C1(C)O)O)C)C)OC1OC(C)CC(C1O)N(C)C" . "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)C[C@](C2)(C)OC)[C@H](C)[C@H]([C@@]2(OC(=C(C)C2)[C@@H]([C@H]([C@]1(C)O)O)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C" . "UJUXMUPAZCCNTJ-ANUGEFLXSA-N" . "InChI=1S/C37H65NO11/c1-14-26-37(10,42)31(40)22(5)29-19(2)16-36(9,49-29)32(48-34-28(39)25(38(11)12)15-20(3)45-34)23(6)30(24(7)33(41)46-26)47-27-18-35(8,43-13)17-21(4)44-27/h20-28,30-32,34,39-40,42H,14-18H2,1-13H3/t20-,21+,22+,23+,24-,25+,26-,27+,28-,30+,31-,32-,34+,35+,36-,37-/m1/s1" . "COc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)Cc1ccccc1" . "COc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)Cc1ccccc1" . "MUQOTEHRXIKHKR-UHFFFAOYSA-N" . "InChI=1S/C20H22N2O2/c1-14(23)21-11-10-17-18-13-16(24-2)8-9-19(18)22-20(17)12-15-6-4-3-5-7-15/h3-9,13,22H,10-12H2,1-2H3,(H,21,23)" . "OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N)CC(=O)N)CCCN=C(N)N)CCCN=C(N)N)Cc1ccccc1)CC(C)C)Cc1ccccc1)Cc1ccc(cc1)O)CCCN=C(N)N)CO)CCC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(Cc1ccccc1)N)CCCN=C(N)N)CC(=O)O)CCC(=O)O)CCC(=O)O)Cc1ccccc1)CCC(=O)N)CO)Cc1ccccc1)C " . "CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O" . "VXJPSOQJNUZHDN-YJFQKBDPSA-N" . "InChI=1S/C141H203N41O38/c1-74(2)61-94(125(208)173-98(65-80-33-17-9-18-34-80)128(211)169-92(40-24-58-158-141(153)154)136(219)181-59-25-41-104(181)133(216)168-86(38-22-56-156-139(149)150)118(201)170-93(114(146)197)68-108(145)189)171-129(212)99(66-81-35-19-10-20-36-81)174-126(209)95(67-82-43-45-83(186)46-44-82)161-109(190)70-159-117(200)85(37-21-55-155-138(147)148)163-132(215)102(72-184)178-121(204)88(47-51-106(143)187)167-131(214)101(71-183)177-115(198)76(5)160-124(207)96(63-78-29-13-7-14-30-78)175-134(217)105-42-26-60-182(105)137(220)103(73-185)179-122(205)89(48-52-107(144)188)165-127(210)97(64-79-31-15-8-16-32-79)172-120(203)91(50-54-111(193)194)164-119(202)90(49-53-110(191)192)166-130(213)100(69-112(195)196)176-135(218)113(75(3)4)180-123(206)87(39-23-57-157-140(151)152)162-116(199)84(142)62-77-27-11-6-12-28-77/h6-20,27-36,43-46,74-76,84-105,113,183-186H,21-26,37-42,47-73,142H2,1-5H3,(H2,143,187)(H2,144,188)(H2,145,189)(H2,146,197)(H,159,200)(H,160,207)(H,161,190)(H,162,199)(H,163,215)(H,164,202)(H,165,210)(H,166,213)(H,167,214)(H,168,216)(H,169,211)(H,170,201)(H,171,212)(H,172,203)(H,173,208)(H,174,209)(H,175,217)(H,176,218)(H,177,198)(H,178,204)(H,179,205)(H,180,206)(H,191,192)(H,193,194)(H,195,196)(H4,147,148,155)(H4,149,150,156)(H4,151,152,157)(H4,153,154,158)/t76-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,113-/m0/s1" . "CCN(C1CC(C)OC(C1O)OC1C(C)C(OC2OC(C)CC(C2)(C)OC)C(C)C(=O)OC(C(C(C(C2=C(CC1(C)O2)C)C)O)C)CC)C" . "CCN([C@H]1C[C@@H](C)O[C@H]([C@@H]1O)O[C@@H]1[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)C[C@](C2)(C)OC)[C@@H](C)C(=O)O[C@@H]([C@@H]([C@@H]([C@H](C2=C(C[C@@]1(C)O2)C)C)O)C)CC)C" . "IWTSXJNGTTXMFK-KTQUSEMZSA-N" . "InChI=1S/C38H67NO10/c1-14-28-23(6)30(40)24(7)32-20(3)17-38(11,49-32)34(48-36-31(41)27(39(12)15-2)16-21(4)45-36)25(8)33(26(9)35(42)46-28)47-29-19-37(10,43-13)18-22(5)44-29/h21-31,33-34,36,40-41H,14-19H2,1-13H3/t21-,22+,23+,24-,25+,26-,27+,28-,29+,30+,31-,33+,34-,36+,37+,38-/m1/s1" . "OC(=O)C(CCP(=O)(O)O)N" . "OC(=O)[C@@H](CCP(=O)(O)O)N" . "DDOQBQRIEWHWBT-GSVOUGTGSA-N" . "InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m1/s1" . "CC(CC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)CC(=O)N)CCCN=C(N)N)CCCN=C(N)N)Cc1ccccc1)NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)Cc1ccccc1)C " . "CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O" . "YUTFGQVEVLPRJQ-AQJXLSMYSA-N" . "InChI=1S/C54H77N15O11/c1-31(2)26-39(66-49(76)40(28-32-12-5-3-6-13-32)65-45(72)36(55)27-34-19-21-35(70)22-20-34)47(74)67-41(29-33-14-7-4-8-15-33)48(75)64-38(17-10-24-62-54(59)60)51(78)69-25-11-18-43(69)50(77)63-37(16-9-23-61-53(57)58)46(73)68-42(52(79)80)30-44(56)71/h3-8,12-15,19-22,31,36-43,70H,9-11,16-18,23-30,55H2,1-2H3,(H2,56,71)(H,63,77)(H,64,75)(H,65,72)(H,66,76)(H,67,74)(H,68,73)(H,79,80)(H4,57,58,61)(H4,59,60,62)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1" . "NC(=O)CCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)CC(=O)N)CCCN=C(N)N)CCCN=C(N)N)Cc1ccccc1)CC(C)C)Cc1ccccc1)N " . "CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O" . "MFJNGGFDZMCRBN-QSVFAHTRSA-N" . "InChI=1S/C50H76N16O11/c1-28(2)24-34(63-45(73)35(25-29-12-5-3-6-13-29)62-41(69)31(51)19-20-39(52)67)43(71)64-36(26-30-14-7-4-8-15-30)44(72)61-33(17-10-22-59-50(56)57)47(75)66-23-11-18-38(66)46(74)60-32(16-9-21-58-49(54)55)42(70)65-37(48(76)77)27-40(53)68/h3-8,12-15,28,31-38H,9-11,16-27,51H2,1-2H3,(H2,52,67)(H2,53,68)(H,60,74)(H,61,72)(H,62,69)(H,63,73)(H,64,71)(H,65,70)(H,76,77)(H4,54,55,58)(H4,56,57,59)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1" . "O=C1NCCCCC(NC(=O)C(Cc2ccccc2)N)C(=O)NC(C(=O)NCC1)Cc1ccc(c(c1)C(C)(C)C)O" . "O=C1NCCCC[C@H](NC(=O)[C@H](Cc2ccccc2)N)C(=O)N[C@H](C(=O)NCC1)Cc1ccc(c(c1)C(C)(C)C)O" . "RRXAKVUZGASTMY-SDHOMARFSA-N" . "InChI=1S/C31H43N5O5/c1-31(2,3)22-17-21(12-13-26(22)37)19-25-29(40)34-16-14-27(38)33-15-8-7-11-24(30(41)36-25)35-28(39)23(32)18-20-9-5-4-6-10-20/h4-6,9-10,12-13,17,23-25,37H,7-8,11,14-16,18-19,32H2,1-3H3,(H,33,38)(H,34,40)(H,35,39)(H,36,41)/t23-,24-,25-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)O)CCC(=O)N)CCCCN)CC(=O)N)CCCN=C(N)N)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C1CCCN1C(=O)C(C(C)C)N)Cc1ccccc1)Cc1ccc(cc1)O)CCC(=O)O)CC(C)C)CCC(=O)N)CCCN=C(N)N)CCSC)CCC(=O)N)CCC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O" . "AAXICBFDLRONSR-YPJUOLRESA-N" . "InChI=1S/C111H179N33O34S/c1-9-58(6)89(142-105(173)78-26-19-48-144(78)108(176)88(118)57(4)5)106(174)141-76(51-60-20-11-10-12-21-60)104(172)143-90(59(7)145)107(175)140-75(52-61-27-29-62(146)30-28-61)92(160)126-54-83(151)127-67(34-40-85(153)154)96(164)138-74(50-56(2)3)102(170)136-69(32-38-80(115)148)97(165)131-65(24-17-46-123-110(119)120)94(162)137-72(43-49-179-8)101(169)133-68(31-37-79(114)147)98(166)135-71(36-42-87(157)158)99(167)130-64(23-14-16-45-113)93(161)134-70(35-41-86(155)156)100(168)132-66(25-18-47-124-111(121)122)95(163)139-77(53-82(117)150)103(171)129-63(22-13-15-44-112)91(159)125-55-84(152)128-73(109(177)178)33-39-81(116)149/h10-12,20-21,27-30,56-59,63-78,88-90,145-146H,9,13-19,22-26,31-55,112-113,118H2,1-8H3,(H2,114,147)(H2,115,148)(H2,116,149)(H2,117,150)(H,125,159)(H,126,160)(H,127,151)(H,128,152)(H,129,171)(H,130,167)(H,131,165)(H,132,168)(H,133,169)(H,134,161)(H,135,166)(H,136,170)(H,137,162)(H,138,164)(H,139,163)(H,140,175)(H,141,174)(H,142,173)(H,143,172)(H,153,154)(H,155,156)(H,157,158)(H,177,178)(H4,119,120,123)(H4,121,122,124)/t58-,59+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,88-,89-,90-/m0/s1" . "N#Cc1cccc(c1)C(=O)Nc1cc(nn1c1ccccc1)c1ccccc1" . "N#Cc1cccc(c1)C(=O)Nc1cc(nn1c1ccccc1)c1ccccc1" . "BKUIZWILNWHFHD-UHFFFAOYSA-N" . "InChI=1S/C23H16N4O/c24-16-17-8-7-11-19(14-17)23(28)25-22-15-21(18-9-3-1-4-10-18)26-27(22)20-12-5-2-6-13-20/h1-15H,(H,25,28)" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(=O)N)CCCN=C(N)N)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(Cc1ccccc1)N)Cc1ccccc1)Cc1ccc(cc1)O)CCC(=O)O)CC(C)C)CCC(=O)N)CCCN=C(N)N)CCSC)CCC(=O)N)CCC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)O" . "MGEPJYBDTTYXQQ-AKGJPERPSA-N" . "InChI=1S/C107H165N29O31S/c1-9-57(6)86(134-101(162)77-28-20-47-136(77)104(165)85(56(4)5)133-88(149)63(109)50-59-21-12-10-13-22-59)102(163)131-75(51-60-23-14-11-15-24-60)100(161)135-87(58(7)137)103(164)130-74(52-61-29-31-62(138)32-30-61)89(150)119-54-81(142)120-67(35-40-82(143)144)93(154)129-73(49-55(2)3)99(160)127-69(34-39-79(111)140)94(155)122-65(26-18-45-117-106(113)114)91(152)128-72(43-48-168-8)98(159)124-68(33-38-78(110)139)95(156)126-71(37-42-84(147)148)96(157)121-64(25-16-17-44-108)90(151)125-70(36-41-83(145)146)97(158)123-66(27-19-46-118-107(115)116)92(153)132-76(105(166)167)53-80(112)141/h10-15,21-24,29-32,55-58,63-77,85-87,137-138H,9,16-20,25-28,33-54,108-109H2,1-8H3,(H2,110,139)(H2,111,140)(H2,112,141)(H,119,150)(H,120,142)(H,121,157)(H,122,155)(H,123,158)(H,124,159)(H,125,151)(H,126,156)(H,127,160)(H,128,152)(H,129,154)(H,130,164)(H,131,163)(H,132,153)(H,133,149)(H,134,162)(H,135,161)(H,143,144)(H,145,146)(H,147,148)(H,166,167)(H4,113,114,117)(H4,115,116,118)/t57-,58+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,85-,86-,87-/m0/s1" . "C(NC(c1ccccc1)c1ccccc1)CNC(c1ccccc1)c1ccccc1" . "C(NC(c1ccccc1)c1ccccc1)CNC(c1ccccc1)c1ccccc1" . "DTZDSNQYNPNCPK-UHFFFAOYSA-N" . "InChI=1S/C28H28N2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)29-21-22-30-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-30H,21-22H2" . "COc1cccc(c1)C#Cc1cccc(n1)C" . "COc1cccc(c1)C#Cc1cccc(n1)C" . "STDHINPODVHROK-UHFFFAOYSA-N" . "InChI=1S/C15H13NO/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-2/h3-8,11H,1-2H3" . "Fc1cccc(c1)C=NN=Cc1cccc(c1)F" . "Fc1cccc(c1)/C=N/N=C/c1cccc(c1)F" . "YYMCVDNIIFNDJK-BEQMOXJMSA-N" . "InChI=1S/C14H10F2N2/c15-13-5-1-3-11(7-13)9-17-18-10-12-4-2-6-14(16)8-12/h1-10H/b17-9+,18-10+" . "Clc1ccc(c(c1)CN1C(=O)c2c(C1=O)cccc2)NC(=O)c1ccccc1O" . "Clc1ccc(c(c1)CN1C(=O)c2c(C1=O)cccc2)NC(=O)c1ccccc1O" . "UFOUABRZSDGGAZ-UHFFFAOYSA-N" . "InChI=1S/C22H15ClN2O4/c23-14-9-10-18(24-20(27)17-7-3-4-8-19(17)26)13(11-14)12-25-21(28)15-5-1-2-6-16(15)22(25)29/h1-11,26H,12H2,(H,24,27)" . "CSCCC(C(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(Cc1ccccc1)N)Cc1ccccc1)Cc1ccc(cc1)O)CCC(=O)O)CC(C)C)CCC(=O)N)CCCN=C(N)N " . "CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)O)[C@@H](C)O" . "BYENHSKWDFWKRW-JAFQCPPXSA-N" . "InChI=1S/C76H113N17O19S/c1-9-43(6)62(91-71(107)57-23-17-34-93(57)74(110)61(42(4)5)90-64(100)49(77)37-45-18-12-10-13-19-45)72(108)89-56(38-46-20-14-11-15-21-46)70(106)92-63(44(7)94)73(109)88-55(39-47-24-26-48(95)27-25-47)65(101)82-40-59(97)83-51(29-31-60(98)99)67(103)87-54(36-41(2)3)69(105)85-52(28-30-58(78)96)68(104)84-50(22-16-33-81-76(79)80)66(102)86-53(75(111)112)32-35-113-8/h10-15,18-21,24-27,41-44,49-57,61-63,94-95H,9,16-17,22-23,28-40,77H2,1-8H3,(H2,78,96)(H,82,101)(H,83,97)(H,84,104)(H,85,105)(H,86,102)(H,87,103)(H,88,109)(H,89,108)(H,90,100)(H,91,107)(H,92,106)(H,98,99)(H,111,112)(H4,79,80,81)/t43-,44+,49-,50-,51-,52-,53-,54-,55-,56-,57-,61-,62-,63-/m0/s1" . "CCC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)CCC(=O)N)CC(C)C)CCC(=O)O)Cc1ccc(cc1)O)C(O)C)Cc1ccccc1)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(Cc1ccccc1)N)C " . "CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[C@@H](C)O" . "RMFLNSINIQWBNF-YJSHLDSISA-N" . "InChI=1S/C71H104N16O18/c1-8-40(6)58(85-66(100)53-22-16-32-87(53)69(103)57(39(4)5)84-60(94)46(72)34-42-17-11-9-12-18-42)67(101)83-52(35-43-19-13-10-14-20-43)65(99)86-59(41(7)88)68(102)82-51(36-44-23-25-45(89)26-24-44)61(95)77-37-55(91)78-47(28-30-56(92)93)62(96)81-50(33-38(2)3)64(98)79-48(27-29-54(73)90)63(97)80-49(70(104)105)21-15-31-76-71(74)75/h9-14,17-20,23-26,38-41,46-53,57-59,88-89H,8,15-16,21-22,27-37,72H2,1-7H3,(H2,73,90)(H,77,95)(H,78,91)(H,79,98)(H,80,97)(H,81,96)(H,82,102)(H,83,101)(H,84,94)(H,85,100)(H,86,99)(H,92,93)(H,104,105)(H4,74,75,76)/t40-,41+,46-,47-,48-,49-,50-,51-,52-,53-,57-,58-,59-/m0/s1" . "CCC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCC(=O)N)CC(C)C)CCC(=O)O)Cc1ccc(cc1)O)C(O)C)Cc1ccccc1)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(Cc1ccccc1)N)C " . "CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O" . "NIJZPHVXEFJULR-XUPMJSFCSA-N" . "InChI=1S/C65H92N12O17/c1-8-37(6)54(75-61(89)49-20-15-29-77(49)64(92)53(36(4)5)74-56(84)43(66)31-39-16-11-9-12-17-39)62(90)73-48(32-40-18-13-10-14-19-40)60(88)76-55(38(7)78)63(91)72-47(33-41-21-23-42(79)24-22-41)57(85)68-34-51(81)69-44(26-28-52(82)83)58(86)71-46(30-35(2)3)59(87)70-45(65(93)94)25-27-50(67)80/h9-14,16-19,21-24,35-38,43-49,53-55,78-79H,8,15,20,25-34,66H2,1-7H3,(H2,67,80)(H,68,85)(H,69,81)(H,70,87)(H,71,86)(H,72,91)(H,73,90)(H,74,84)(H,75,89)(H,76,88)(H,82,83)(H,93,94)/t37-,38+,43-,44-,45-,46-,47-,48-,49-,53-,54-,55-/m0/s1" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)O)Cc1nc[nH]c1)CCCN=C(N)N)CC(=O)N)CCCN=C(N)N)CCC(=O)O)CCCN=C(N)N)CCC(=O)O)CCC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(Cc1ccccc1)N)Cc1ccccc1)Cc1ccc(cc1)O)CO)CCC(=O)O)CC(C)C)CCC(=O)N)CCCN=C(N)N " . "CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)[C@@H](C)O" . "JVCLVMOMYGJGII-PIRXSRGKSA-N" . "InChI=1S/C122H189N39O35S/c1-9-63(6)96(159-114(191)87-29-20-49-161(87)117(194)95(62(4)5)158-98(175)70(123)52-65-21-12-10-13-22-65)115(192)155-83(53-66-23-14-11-15-24-66)112(189)160-97(64(7)163)116(193)156-82(54-67-30-32-69(164)33-31-67)110(187)157-86(59-162)113(190)151-79(38-43-94(173)174)107(184)153-81(51-61(2)3)109(186)150-76(35-40-89(125)166)103(180)144-73(27-18-47-138-121(131)132)101(178)152-80(44-50-197-8)108(185)147-75(34-39-88(124)165)104(181)149-78(37-42-93(171)172)106(183)145-72(26-17-46-137-120(129)130)100(177)148-77(36-41-92(169)170)105(182)146-74(28-19-48-139-122(133)134)102(179)154-84(56-90(126)167)111(188)143-71(25-16-45-136-119(127)128)99(176)140-58-91(168)142-85(118(195)196)55-68-57-135-60-141-68/h10-15,21-24,30-33,57,60-64,70-87,95-97,162-164H,9,16-20,25-29,34-56,58-59,123H2,1-8H3,(H2,124,165)(H2,125,166)(H2,126,167)(H,135,141)(H,140,176)(H,142,168)(H,143,188)(H,144,180)(H,145,183)(H,146,182)(H,147,185)(H,148,177)(H,149,181)(H,150,186)(H,151,190)(H,152,178)(H,153,184)(H,154,179)(H,155,192)(H,156,193)(H,157,187)(H,158,175)(H,159,191)(H,160,189)(H,169,170)(H,171,172)(H,173,174)(H,195,196)(H4,127,128,136)(H4,129,130,137)(H4,131,132,138)(H4,133,134,139)/t63-,64+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,95-,96-,97-/m0/s1" . "OC(=O)C(COP(=O)(Oc1ccccc1)O)(N)C" . "OC(=O)C(COP(=O)(Oc1ccccc1)O)(N)C" . "GBCGDIQJCHNFKA-UHFFFAOYSA-N" . "InChI=1S/C10H14NO6P/c1-10(11,9(12)13)7-16-18(14,15)17-8-5-3-2-4-6-8/h2-6H,7,11H2,1H3,(H,12,13)(H,14,15)" . "OC(=O)C1CC1C(C(=O)O)(N)C" . "OC(=O)[C@H]1C[C@@H]1[C@@](C(=O)O)(N)C" . "KFACHLANPCGTFI-FVSJBQLASA-N" . "InChI=1S/C7H11NO4/c1-7(8,6(11)12)4-2-3(4)5(9)10/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12)/t3-,4-,7-/m0/s1" . "NCCOC=CC(C(=O)O)NCC1=C(CNC(C1=O)C)COP(=O)(O)O" . "NCCO/C=C/C(C(=O)O)NCC1=C(CNC(C1=O)C)COP(=O)(O)O" . "YUVPJAIAVDYTLF-DUXPYHPUSA-N" . "InChI=1S/C14H24N3O8P/c1-9-13(18)11(10(6-16-9)8-25-26(21,22)23)7-17-12(14(19)20)2-4-24-5-3-15/h2,4,9,12,16-17H,3,5-8,15H2,1H3,(H,19,20)(H2,21,22,23)/b4-2+" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)O)CCC(=O)N)CCCCN)CC(=O)N)CCCNC(=N)N)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(Cc1ccccc1)N)Cc1ccccc1)Cc1ccc(cc1)O)CCC(=O)O)CC(C)C)CCC(=O)N)CCCNC(=N)N)CCSC)CCC(=O)N)CCC(=O)O" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)CCC(=O)N)CCCCN)CC(=O)N)CCCNC(=N)N)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1ccccc1)N)Cc1ccccc1)Cc1ccc(cc1)O)CCC(=O)O)CC(C)C)CCC(=O)N)CCCNC(=N)N)CCSC)CCC(=O)N)CCC(=O)O" . "LVRVABPNVHYXRT-BQWXUCBYSA-N" . "InChI=1S/C120H188N34O35S/c1-9-64(6)97(152-114(184)86-31-22-53-154(86)117(187)96(63(4)5)151-99(169)70(123)56-66-23-12-10-13-24-66)115(185)150-84(57-67-25-14-11-15-26-67)113(183)153-98(65(7)155)116(186)149-83(58-68-32-34-69(156)35-33-68)101(171)135-60-91(161)136-75(39-45-93(163)164)105(175)147-82(55-62(2)3)111(181)145-77(37-43-88(125)158)106(176)140-73(29-20-51-132-119(128)129)103(173)146-80(48-54-190-8)110(180)142-76(36-42-87(124)157)107(177)144-79(41-47-95(167)168)108(178)139-72(28-17-19-50-122)102(172)143-78(40-46-94(165)166)109(179)141-74(30-21-52-133-120(130)131)104(174)148-85(59-90(127)160)112(182)138-71(27-16-18-49-121)100(170)134-61-92(162)137-81(118(188)189)38-44-89(126)159/h10-15,23-26,32-35,62-65,70-86,96-98,155-156H,9,16-22,27-31,36-61,121-123H2,1-8H3,(H2,124,157)(H2,125,158)(H2,126,159)(H2,127,160)(H,134,170)(H,135,171)(H,136,161)(H,137,162)(H,138,182)(H,139,178)(H,140,176)(H,141,179)(H,142,180)(H,143,172)(H,144,177)(H,145,181)(H,146,173)(H,147,175)(H,148,174)(H,149,186)(H,150,185)(H,151,169)(H,152,184)(H,153,183)(H,163,164)(H,165,166)(H,167,168)(H,188,189)(H4,128,129,132)(H4,130,131,133)/t64-,65+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,96-,97-,98-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)O)CCC(=O)N)CCCCN)CC(=O)N)CCCN=C(N)N)CCC(=O)O)CCCCN)CCC(=O)O)CCCN=C(N)N)C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(Cc1ccccc1)N)Cc1ccccc1)Cc1nc[nH]c1)CO)CCC(=O)O)CC(C)C)CCC(=O)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O" . "UXNMKJPZQNQTMI-CSRYRKIZSA-N" . "InChI=1S/C120H194N36O34/c1-10-64(7)95(114(185)146-75(35-25-51-134-120(130)131)101(172)143-77(39-44-91(163)164)104(175)139-72(32-19-22-48-122)100(171)142-78(40-45-92(165)166)105(176)141-74(34-24-50-133-119(128)129)102(173)148-84(57-89(127)161)110(181)138-71(31-18-21-47-121)99(170)135-59-90(162)137-80(118(189)190)38-43-88(126)160)153-107(178)73(33-20-23-49-123)140-103(174)76(37-42-87(125)159)144-108(179)81(53-62(3)4)147-106(177)79(41-46-93(167)168)145-112(183)85(60-157)151-109(180)83(56-69-58-132-61-136-69)150-116(187)97(66(9)158)155-111(182)82(55-68-29-16-13-17-30-68)149-115(186)96(65(8)11-2)154-113(184)86-36-26-52-156(86)117(188)94(63(5)6)152-98(169)70(124)54-67-27-14-12-15-28-67/h12-17,27-30,58,61-66,70-86,94-97,157-158H,10-11,18-26,31-57,59-60,121-124H2,1-9H3,(H2,125,159)(H2,126,160)(H2,127,161)(H,132,136)(H,135,170)(H,137,162)(H,138,181)(H,139,175)(H,140,174)(H,141,176)(H,142,171)(H,143,172)(H,144,179)(H,145,183)(H,146,185)(H,147,177)(H,148,173)(H,149,186)(H,150,187)(H,151,180)(H,152,169)(H,153,178)(H,154,184)(H,155,182)(H,163,164)(H,165,166)(H,167,168)(H,189,190)(H4,128,129,133)(H4,130,131,134)/t64-,65-,66+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,94-,95-,96-,97-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)O)CCC(=O)N)CCCCN)CC(=O)N)CCCNC(=N)N)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(Cc1ccccc1)N)Cc1ccccc1)Cc1ccc(cc1)O)CCC(=O)O)CC(C)C)CCC(=O)N)CCCNC(=N)N)CC(C)C)CCC(=O)N)CCC(=O)O" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)CCC(=O)N)CCCCN)CC(=O)N)CCCNC(=N)N)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1ccccc1)N)Cc1ccccc1)Cc1ccc(cc1)O)CCC(=O)O)CC(C)C)CCC(=O)N)CCCNC(=N)N)CC(C)C)CCC(=O)N)CCC(=O)O" . "GFOZQXMKARUPQI-HYOAWBISSA-N" . "InChI=1S/C121H190N34O35/c1-10-65(8)98(153-115(185)87-32-23-53-155(87)118(188)97(64(6)7)152-100(170)71(124)56-67-24-13-11-14-25-67)116(186)151-85(57-68-26-15-12-16-27-68)114(184)154-99(66(9)156)117(187)150-84(58-69-33-35-70(157)36-34-69)102(172)136-60-92(162)137-76(40-46-94(164)165)106(176)148-83(55-63(4)5)112(182)145-77(37-43-88(125)158)107(177)141-74(30-21-51-133-120(129)130)104(174)147-82(54-62(2)3)111(181)146-78(38-44-89(126)159)108(178)144-80(42-48-96(168)169)109(179)140-73(29-18-20-50-123)103(173)143-79(41-47-95(166)167)110(180)142-75(31-22-52-134-121(131)132)105(175)149-86(59-91(128)161)113(183)139-72(28-17-19-49-122)101(171)135-61-93(163)138-81(119(189)190)39-45-90(127)160/h11-16,24-27,33-36,62-66,71-87,97-99,156-157H,10,17-23,28-32,37-61,122-124H2,1-9H3,(H2,125,158)(H2,126,159)(H2,127,160)(H2,128,161)(H,135,171)(H,136,172)(H,137,162)(H,138,163)(H,139,183)(H,140,179)(H,141,177)(H,142,180)(H,143,173)(H,144,178)(H,145,182)(H,146,181)(H,147,174)(H,148,176)(H,149,175)(H,150,187)(H,151,186)(H,152,170)(H,153,185)(H,154,184)(H,164,165)(H,166,167)(H,168,169)(H,189,190)(H4,129,130,133)(H4,131,132,134)/t65-,66+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,97-,98-,99-/m0/s1" . "CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(C2(OC(=C(C)C2)C(C(C1C)O)C)C)OC1OC(C)CC(C1O)N(C)C" . "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@]2(OC(=C(C)C2)[C@@H]([C@H]([C@@H]1C)O)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C" . "RVWZXQUMKFWVJM-GKMPZCCESA-N" . "InChI=1S/C37H65NO11/c1-14-26-20(4)28(39)21(5)30-18(2)16-37(10,49-30)33(48-35-29(40)25(38(11)12)15-19(3)44-35)22(6)31(23(7)34(42)46-26)47-27-17-36(9,43-13)32(41)24(8)45-27/h19-29,31-33,35,39-41H,14-17H2,1-13H3/t19-,20-,21-,22+,23-,24+,25+,26-,27+,28+,29-,31+,32+,33-,35+,36-,37+/m1/s1" . "CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(C2(OC(=C(C)C2)C(C(C1(C)O)O)C)C)OC1OC(C)CC(C1O)N(C)C" . "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@@]2(OC(=C(C)C2)[C@@H]([C@H]([C@]1(C)O)O)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C" . "JFVYXJKGJMUGRG-KJPZRSJGSA-N" . "InChI=1S/C37H65NO12/c1-14-25-37(10,43)30(40)20(4)28-18(2)16-36(9,50-28)32(49-34-27(39)24(38(11)12)15-19(3)45-34)21(5)29(22(6)33(42)47-25)48-26-17-35(8,44-13)31(41)23(7)46-26/h19-27,29-32,34,39-41,43H,14-17H2,1-13H3/t19-,20+,21+,22-,23+,24+,25-,26+,27-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1" . "CCN(C1CC(C)OC(C1O)OC1C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(=O)OC(CC)C(C(C(C(=O)C(CC1(C)O)C)C)O)(C)O)C" . "CCN(C1CC(C)OC(C1O)OC1C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(=O)OC(CC)C(C(C(C(=O)C(CC1(C)O)C)C)O)(C)O)C" . "DYYAPFZVDGCKCL-UHFFFAOYSA-N" . "InChI=1S/C38H69NO13/c1-14-26-38(11,46)31(42)21(5)28(40)19(3)17-36(9,45)33(52-35-29(41)25(39(12)15-2)16-20(4)48-35)22(6)30(23(7)34(44)50-26)51-27-18-37(10,47-13)32(43)24(8)49-27/h19-27,29-33,35,41-43,45-46H,14-18H2,1-13H3" . "Cc1cccc(n1)C=Cc1ccccc1" . "Cc1cccc(n1)/C=C/c1ccccc1" . "SISOFUCTXZKSOQ-ZHACJKMWSA-N" . "InChI=1S/C14H13N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-11H,1H3/b11-10+" . "O=C(C(Oc1ccc(cc1)C)C)Nc1ccc(cc1)C(=O)c1ccccc1" . "O=C([C@H](Oc1ccc(cc1)C)C)Nc1ccc(cc1)C(=O)c1ccccc1" . "XTAVVOHMWNRQKS-QGZVFWFLSA-N" . "InChI=1S/C23H21NO3/c1-16-8-14-21(15-9-16)27-17(2)23(26)24-20-12-10-19(11-13-20)22(25)18-6-4-3-5-7-18/h3-15,17H,1-2H3,(H,24,26)/t17-/m1/s1" . "Cc1scc(n1)C#Cc1cccnc1" . "Cc1sc[14c](n1)C#Cc1cccnc1" . "NRBNGHCYDWUVLC-OZUIXNLOSA-N" . "InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3/i11+2" . "Fc1ccc(cc1)C(=O)N1CCCC(C1)c1onc(n1)c1ccc(cc1)F" . "Fc1ccc(cc1)C(=O)N1CCC[C@@H](C1)c1onc(n1)c1ccc(cc1)F" . "VXQCCZHCFBHTTD-HNNXBMFYSA-N" . "InChI=1S/C20H17F2N3O2/c21-16-7-3-13(4-8-16)18-23-19(27-24-18)15-2-1-11-25(12-15)20(26)14-5-9-17(22)10-6-14/h3-10,15H,1-2,11-12H2/t15-/m0/s1" . "Cc1ccc(nc1)C#Cc1ccccc1" . "Cc1ccc(nc1)C#Cc1ccccc1" . "HESJPHOOGDBABM-UHFFFAOYSA-N" . "InChI=1S/C14H11N/c1-12-7-9-14(15-11-12)10-8-13-5-3-2-4-6-13/h2-7,9,11H,1H3" . "NC(c1ccc(cc1)C(=O)O)C(=O)O" . "N[C@@H](c1ccc(cc1)C(=O)O)C(=O)O" . "VTMJKPGFERYGJF-ZETCQYMHSA-N" . "InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)/t7-/m0/s1" . "OC(=O)C(c1cc(O)ccc1Cl)N" . "OC(=O)C(c1cc(O)ccc1Cl)N" . "UNIDAFCQFPGYJJ-UHFFFAOYSA-N" . "InChI=1S/C8H8ClNO3/c9-6-2-1-4(11)3-5(6)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)" . "ON=C1c2ccccc2OC2(C1C2)C(=O)Nc1ccccc1" . "O/N=C/1/c2ccccc2OC2(C1C2)C(=O)Nc1ccccc1" . "FPXPIEZPAXSELW-CYVLTUHYSA-N" . "InChI=1S/C17H14N2O3/c20-16(18-11-6-2-1-3-7-11)17-10-13(17)15(19-21)12-8-4-5-9-14(12)22-17/h1-9,13,21H,10H2,(H,18,20)/b19-15-" . "OC(=O)C(c1ccc(cc1)P(=O)(O)O)(N)C" . "OC(=O)C(c1ccc(cc1)P(=O)(O)O)(N)C" . "PAONCRJPUQXPRW-UHFFFAOYSA-N" . "InChI=1S/C9H12NO5P/c1-9(10,8(11)12)6-2-4-7(5-3-6)16(13,14)15/h2-5H,10H2,1H3,(H,11,12)(H2,13,14,15)" . "OC(=O)C(CCP(=O)(O)O)(N)C" . "OC(=O)[C@](CCP(=O)(O)O)(N)C" . "HONKEGXLWUDTCF-YFKPBYRVSA-N" . "InChI=1S/C5H12NO5P/c1-5(6,4(7)8)2-3-12(9,10)11/h2-3,6H2,1H3,(H,7,8)(H2,9,10,11)/t5-/m0/s1" . "OC(=O)C(c1ccc(cc1)P(=O)(O)O)(C1CC1)N" . "OC(=O)C(c1ccc(cc1)P(=O)(O)O)(C1CC1)N" . "IGODGTDUQSMDQU-UHFFFAOYSA-N" . "InChI=1S/C11H14NO5P/c12-11(10(13)14,7-1-2-7)8-3-5-9(6-4-8)18(15,16)17/h3-7H,1-2,12H2,(H,13,14)(H2,15,16,17)" . "OC(=O)C(CCP(=O)(O)O)N" . "OC(=O)[C@H](CCP(=O)(O)O)N" . "DDOQBQRIEWHWBT-VKHMYHEASA-N" . "InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1" . "OC(=O)C(COP(=O)(O)O)N" . "OC(=O)[C@H](COP(=O)(O)O)N" . "BZQFBWGGLXLEPQ-REOHCLBHSA-N" . "InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1" . "OC(=O)C(CCP(=O)(O)O)N" . "OC(=O)[C@H](CCP(=O)(O)O)N" . "DDOQBQRIEWHWBT-VKHMYHEASA-N" . "InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1" . "OC(=O)C=CC(=O)N1CC(CC1C(=O)O)(N)C(=O)O" . "OC(=O)/C=C/C(=O)N1C[C@](C[C@H]1C(=O)O)(N)C(=O)O" . "ZALHFQNLXQORTH-FGLATXDZSA-N" . "InChI=1S/C10H12N2O7/c11-10(9(18)19)3-5(8(16)17)12(4-10)6(13)1-2-7(14)15/h1-2,5H,3-4,11H2,(H,14,15)(H,16,17)(H,18,19)/b2-1+/t5-,10-/m0/s1" . "OC(=O)C1CC(CC1C(=O)O)(N)C(=O)O" . "OC(=O)[C@@H]1C[C@](C[C@@H]1C(=O)O)(N)C(=O)O" . "FERIKTBTNCSGJS-KIGHRTHISA-N" . "InChI=1S/C8H11NO6/c9-8(7(14)15)1-3(5(10)11)4(2-8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4+,8-" . "NC(c1ccc(c(c1)C(=O)O)C(=O)O)C(=O)O" . "N[C@@H](c1ccc(c(c1)C(=O)O)C(=O)O)C(=O)O" . "IJVMOGKBEVRBPP-ZETCQYMHSA-N" . "InChI=1S/C10H9NO6/c11-7(10(16)17)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1" . "OC(=O)C(c1ccc(cc1)P(=O)(O)O)N" . "OC(=O)C(c1ccc(cc1)P(=O)(O)O)N" . "JRQRKFDFHAPMGQ-UHFFFAOYSA-N" . "InChI=1S/C8H10NO5P/c9-7(8(10)11)5-1-3-6(4-2-5)15(12,13)14/h1-4,7H,9H2,(H,10,11)(H2,12,13,14)" . "O=C(c1cnc2c(n1)cccc2)NC12CC3CC(C2)CC(C1)C3" . "O=C(c1cnc2c(n1)cccc2)NC12CC3CC(C2)CC(C1)C3" . "ZKFVOZCCAXQXBU-UHFFFAOYSA-N" . "InChI=1S/C19H21N3O/c23-18(17-11-20-15-3-1-2-4-16(15)21-17)22-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,11-14H,5-10H2,(H,22,23)" . "OC(=O)CCC(C(=O)O)NC(=O)C(NC(=O)C)CC(=O)O" . "OC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)C)CC(=O)O" . "OPVPGKGADVGKTG-BQBZGAKWSA-N" . "InChI=1S/C11H16N2O8/c1-5(14)12-7(4-9(17)18)10(19)13-6(11(20)21)2-3-8(15)16/h6-7H,2-4H2,1H3,(H,12,14)(H,13,19)(H,15,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1" . "CCCc1c(OCCCCOc2ccc(cc2)c2n[nH]nn2)ccc(c1O)C(=O)C" . "CCCc1c(OCCCCOc2ccc(cc2)c2n[nH]nn2)ccc(c1O)C(=O)C" . "FEEONEKLFGDWHR-UHFFFAOYSA-N" . "InChI=1S/C22H26N4O4/c1-3-6-19-20(12-11-18(15(2)27)21(19)28)30-14-5-4-13-29-17-9-7-16(8-10-17)22-23-25-26-24-22/h7-12,28H,3-6,13-14H2,1-2H3,(H,23,24,25,26)" . "COc1ccccc1Oc1ccc(cc1)N(S(=O)(=O)CC(F)(F)F)Cc1cccnc1" . "COc1ccccc1Oc1ccc(cc1)N(S(=O)(=O)CC(F)(F)F)Cc1cccnc1" . "ALMACYDZFBMGOR-UHFFFAOYSA-N" . "InChI=1S/C21H19F3N2O4S/c1-29-19-6-2-3-7-20(19)30-18-10-8-17(9-11-18)26(14-16-5-4-12-25-13-16)31(27,28)15-21(22,23)24/h2-13H,14-15H2,1H3" . "COc1ccccc1Oc1cccc(c1)N(S(=O)(=O)CC(F)(F)F)Cc1cccnc1" . "COc1ccccc1Oc1cccc(c1)N(S(=O)(=O)CC(F)(F)F)Cc1cccnc1" . "GJWZEUKWBMFOAA-UHFFFAOYSA-N" . "InChI=1S/C21H19F3N2O4S/c1-29-19-9-2-3-10-20(19)30-18-8-4-7-17(12-18)26(14-16-6-5-11-25-13-16)31(27,28)15-21(22,23)24/h2-13H,14-15H2,1H3" . "CCC(C(=O)O)(CCC(=O)O)N" . "CC[C@@](C(=O)O)(CCC(=O)O)N" . "QFYBYZLHPIALCZ-ZETCQYMHSA-N" . "InChI=1S/C7H13NO4/c1-2-7(8,6(11)12)4-3-5(9)10/h2-4,8H2,1H3,(H,9,10)(H,11,12)/t7-/m0/s1" . "OC(=O)C1CC1C(C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N" . "OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N" . "VLZBRVJVCCNPRJ-KPHUOKFYSA-N" . "InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1" . "OC(=O)C1(N)C(OCc2ccc(c(c2)Cl)Cl)CC2C1C2(F)C(=O)O" . "OC(=O)[C@]1(N)[C@H](OCc2ccc(c(c2)Cl)Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O" . "LFAGGDAZZKUVKO-JAGWWQSPSA-N" . "InChI=1S/C15H14Cl2FNO5/c16-8-2-1-6(3-9(8)17)5-24-10-4-7-11(14(7,18)12(20)21)15(10,19)13(22)23/h1-3,7,10-11H,4-5,19H2,(H,20,21)(H,22,23)/t7-,10-,11+,14-,15+/m1/s1" . "OC(=O)C1C2C1C(CC2)(N)C(=O)O" . "OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O" . "VTAARTQTOOYTES-RGDLXGNYSA-N" . "InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1" . "O=C1CC(C2C1C2(F)C(=O)O)(N)C(=O)O" . "O=C1C[C@@]([C@H]2[C@@H]1[C@]2(F)C(=O)O)(N)C(=O)O" . "KFAGJPNFERWZJA-JKBXLQNXSA-N" . "InChI=1S/C8H8FNO5/c9-8(6(14)15)3-2(11)1-7(10,4(3)8)5(12)13/h3-4H,1,10H2,(H,12,13)(H,14,15)/t3-,4-,7+,8-/m1/s1" . "OC(=O)C1C2C1C(CO2)(N)C(=O)O" . "OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O" . "YASVRZWVUGJELU-MDASVERJSA-N" . "InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1" . "OC(=O)C1C2C1C(CC2)(N)C(=O)O" . "OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O" . "VTAARTQTOOYTES-RGDLXGNYSA-N" . "InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1" . "OC(=O)C1NCC(C1)(N)C(=O)O" . "OC(=O)[C@@H]1NC[C@@](C1)(N)C(=O)O" . "XZFMJVJDSYRWDQ-AWFVSMACSA-N" . "InChI=1S/C6H10N2O4/c7-6(5(11)12)1-3(4(9)10)8-2-6/h3,8H,1-2,7H2,(H,9,10)(H,11,12)/t3-,6-/m1/s1" . "O=C(c1ccc2c(c1)cc1c(n2)OCCC1)Cc1ccccc1" . "O=C(c1ccc2c(c1)cc1c(n2)OCCC1)Cc1ccccc1" . "HXUSRWUBSYSWII-UHFFFAOYSA-N" . "InChI=1S/C20H17NO2/c22-19(11-14-5-2-1-3-6-14)15-8-9-18-17(12-15)13-16-7-4-10-23-20(16)21-18/h1-3,5-6,8-9,12-13H,4,7,10-11H2" . "CCn1c(C)nc(c(c1=O)C#N)N1CCc2c(CC1)cccc2" . "CCn1c(C)nc(c(c1=O)C#N)N1CCc2c(CC1)cccc2" . "QNUVWRAGDSGAKX-UHFFFAOYSA-N" . "InChI=1S/C18H20N4O/c1-3-22-13(2)20-17(16(12-19)18(22)23)21-10-8-14-6-4-5-7-15(14)9-11-21/h4-7H,3,8-11H2,1-2H3" . "CN(C(=O)c1sc2n(c1C)c1c(n2)ccc(c1)N)C1CCCCC1" . "CN(C(=O)c1sc2n(c1C)c1c(n2)ccc(c1)N)C1CCCCC1" . "KCBXOMYXOBVLED-UHFFFAOYSA-N" . "InChI=1S/C18H22N4OS/c1-11-16(17(23)21(2)13-6-4-3-5-7-13)24-18-20-14-9-8-12(19)10-15(14)22(11)18/h8-10,13H,3-7,19H2,1-2H3" . "Cc1ccc(cc1)S(=O)(=O)N1CCCC1c1ccc(cc1)F" . "Cc1ccc(cc1)S(=O)(=O)N1CCCC1c1ccc(cc1)F" . "DAEHFYNGSSBGSS-UHFFFAOYSA-N" . "InChI=1S/C17H18FNO2S/c1-13-4-10-16(11-5-13)22(20,21)19-12-2-3-17(19)14-6-8-15(18)9-7-14/h4-11,17H,2-3,12H2,1H3" . "CCCCOC(=O)NC(=O)C1c2ccccc2Oc2c1cccc2" . "CCCCOC(=O)NC(=O)C1c2ccccc2Oc2c1cccc2" . "RQBUXEUMZZQUFY-UHFFFAOYSA-N" . "InChI=1S/C19H19NO4/c1-2-3-12-23-19(22)20-18(21)17-13-8-4-6-10-15(13)24-16-11-7-5-9-14(16)17/h4-11,17H,2-3,12H2,1H3,(H,20,21,22)" . "CCOC(=O)NC(=O)C(c1ccccc1)c1ccccc1" . "CCOC(=O)NC(=O)C(c1ccccc1)c1ccccc1" . "ILSZPWZFQHSKLW-UHFFFAOYSA-N" . "InChI=1S/C17H17NO3/c1-2-21-17(20)18-16(19)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,18,19,20)" . "COC1CCC(CC1)C(=O)c1ccc2c(c1)cc1c(n2)OCCC1" . "COC1CCC(CC1)C(=O)c1ccc2c(c1)cc1c(n2)OCCC1" . "QOTAQTRFJWLFCR-UHFFFAOYSA-N" . "InChI=1S/C20H23NO3/c1-23-17-7-4-13(5-8-17)19(22)14-6-9-18-16(11-14)12-15-3-2-10-24-20(15)21-18/h6,9,11-13,17H,2-5,7-8,10H2,1H3" . "NCCc1ncn(c1)CC" . "NCCc1ncn(c1)CC" . "LIXGKSRWGHVUHT-UHFFFAOYSA-N" . "InChI=1S/C7H13N3/c1-2-10-5-7(3-4-8)9-6-10/h5-6H,2-4,8H2,1H3" . "CCCOC(=O)c1[nH]c(c(c1C)C(=O)OC(C(C)(C)C)C)C" . "CCCOC(=O)c1[nH]c(c(c1C)C(=O)O[C@H](C(C)(C)C)C)C" . "DOYZAIRDDZPMQZ-LBPRGKRZSA-N" . "InChI=1S/C17H27NO4/c1-8-9-21-16(20)14-10(2)13(11(3)18-14)15(19)22-12(4)17(5,6)7/h12,18H,8-9H2,1-7H3/t12-/m0/s1" . "CCOC(=O)C12CC2C(=NO)c2c(O1)cccc2" . "CCOC(=O)C12CC2/C(=N/O)/c2c(O1)cccc2" . "FXCTZFMSAHZQTR-KAMYIIQDSA-N" . "InChI=1S/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,16H,2,7H2,1H3/b14-11-" . "C=C1CC2C(C1)(Cc1ccc3c(c1)cccc3)C(=O)OC2" . "C=C1C[C@H]2[C@](C1)(Cc1ccc3c(c1)cccc3)C(=O)OC2" . "CVIRWLJKDBYYOG-MJGOQNOKSA-N" . "InChI=1S/C19H18O2/c1-13-8-17-12-21-18(20)19(17,10-13)11-14-6-7-15-4-2-3-5-16(15)9-14/h2-7,9,17H,1,8,10-12H2/t17-,19+/m1/s1" . "OC(=O)c1ccc(c(c1)C)C(C(=O)O)N" . "OC(=O)c1ccc(c(c1)C)[C@@H](C(=O)O)N" . "SGIKDIUCJAUSRD-QMMMGPOBSA-N" . "InChI=1S/C10H11NO4/c1-5-4-6(9(12)13)2-3-7(5)8(11)10(14)15/h2-4,8H,11H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1" . "OC(=O)C1CC1C(C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N" . "OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N" . "VLZBRVJVCCNPRJ-KPHUOKFYSA-N" . "InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1" . "NC(C1C(C1C(=O)O)C(=O)O)C(=O)O" . "N[C@@H](C1[C@H]([C@@H]1C(=O)O)C(=O)O)C(=O)O" . "MATPZHBYOVDBLI-JJYYJPOSSA-N" . "InChI=1S/C7H9NO6/c8-4(7(13)14)1-2(5(9)10)3(1)6(11)12/h1-4H,8H2,(H,9,10)(H,11,12)(H,13,14)/t2-,3-,4+/m1/s1" . "CC(=O)NCCc1cccc2c1cc(OCCCOc1ccc3c(c1)c(CCNC(=O)C)ccc3)cc2" . "CC(=O)NCCc1cccc2c1cc(OCCCOc1ccc3c(c1)c(CCNC(=O)C)ccc3)cc2" . "NSXBZYDTTKLTOH-UHFFFAOYSA-N" . "InChI=1S/C31H34N2O4/c1-22(34)32-16-14-26-8-3-6-24-10-12-28(20-30(24)26)36-18-5-19-37-29-13-11-25-7-4-9-27(31(25)21-29)15-17-33-23(2)35/h3-4,6-13,20-21H,5,14-19H2,1-2H3,(H,32,34)(H,33,35)" . "CCc1ccc2c(c1)c(CCNC(=O)C)cs2" . "CCc1ccc2c(c1)c(CCNC(=O)C)cs2" . "PICRXJDULXLJCZ-UHFFFAOYSA-N" . "InChI=1S/C14H17NOS/c1-3-11-4-5-14-13(8-11)12(9-17-14)6-7-15-10(2)16/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,16)" . "O=C(C1CCC1)NCCc1cccc2c1cccc2" . "O=C(C1CCC1)NCCc1cccc2c1cccc2" . "GLXSBZGTGMPDKH-UHFFFAOYSA-N" . "InChI=1S/C17H19NO/c19-17(15-8-4-9-15)18-12-11-14-7-3-6-13-5-1-2-10-16(13)14/h1-3,5-7,10,15H,4,8-9,11-12H2,(H,18,19)" . "CCCC(=O)NCCc1c2c3ccccc3CCCn2c2c1cc(OC)cc2" . "CCCC(=O)NCCc1c2c3ccccc3CCCn2c2c1cc(OC)cc2" . "SPIFQXPRSJKRAO-UHFFFAOYSA-N" . "InChI=1S/C24H28N2O2/c1-3-7-23(27)25-14-13-20-21-16-18(28-2)11-12-22(21)26-15-6-9-17-8-4-5-10-19(17)24(20)26/h4-5,8,10-12,16H,3,6-7,9,13-15H2,1-2H3,(H,25,27)" . "CCC(=O)NC1Cc2ccccc2C(C1)c1ccccc1" . "CCC(=O)NC1Cc2ccccc2C(C1)c1ccccc1" . "RCYLUNPFECYGDW-UHFFFAOYSA-N" . "InChI=1S/C19H21NO/c1-2-19(21)20-16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,2,12-13H2,1H3,(H,20,21)" . "COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2" . "COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2" . "DRLFMBDRBRZALE-UHFFFAOYSA-N" . "InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)" . "CCC(=O)NCCC1CCc2c1c1CCOc1cc2" . "CCC(=O)NCC[C@@H]1CCc2c1c1CCOc1cc2" . "YLXDSYKOBKBWJQ-LBPRGKRZSA-N" . "InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1" . "CC(=O)NCCc1cccc2c1cc(OCCCCOc1ccc3c(c1)c(CCNC(=O)C)ccc3)cc2" . "CC(=O)NCCc1cccc2c1cc(OCCCCOc1ccc3c(c1)c(CCNC(=O)C)ccc3)cc2" . "AGGOYESCDGTCOY-UHFFFAOYSA-N" . "InChI=1S/C32H36N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,33,35)(H,34,36)" . "COc1ccc2c(c1)c(CCNC(=O)C)cc(c2)c1cccc(c1)N" . "COc1ccc2c(c1)c(CCNC(=O)C)cc(c2)c1cccc(c1)N" . "RUYDBTKHRKQOLY-UHFFFAOYSA-N" . "InChI=1S/C21H22N2O2/c1-14(24)23-9-8-17-11-18(15-4-3-5-19(22)12-15)10-16-6-7-20(25-2)13-21(16)17/h3-7,10-13H,8-9,22H2,1-2H3,(H,23,24)" . "COc1cccc(c1)Cc1oc2c(c1CCNC(=O)C)cc(cc2)OC" . "COc1cccc(c1)Cc1oc2c(c1CCNC(=O)C)cc(cc2)OC" . "GNWDMICUDNQPEK-UHFFFAOYSA-N" . "InChI=1S/C21H23NO4/c1-14(23)22-10-9-18-19-13-17(25-3)7-8-20(19)26-21(18)12-15-5-4-6-16(11-15)24-2/h4-8,11,13H,9-10,12H2,1-3H3,(H,22,23)" . "COc1cc2c(cc1Cl)[nH]cc2C(CNC(=O)C)C" . "COc1cc2c(cc1Cl)[nH]cc2[C@H](CNC(=O)C)C" . "RKHCTAKUYDTFHE-QMMMGPOBSA-N" . "InChI=1S/C14H17ClN2O2/c1-8(6-16-9(2)18)11-7-17-13-5-12(15)14(19-3)4-10(11)13/h4-5,7-8,17H,6H2,1-3H3,(H,16,18)/t8-/m0/s1" . "CCCC(=O)NCCc1c2c3ccccc3Cn2c2c1cc(OC)cc2" . "CCCC(=O)NCCc1c2c3ccccc3Cn2c2c1cc(OC)cc2" . "RQYIUGOJQFWLAZ-UHFFFAOYSA-N" . "InChI=1S/C22H24N2O2/c1-3-6-21(25)23-12-11-18-19-13-16(26-2)9-10-20(19)24-14-15-7-4-5-8-17(15)22(18)24/h4-5,7-10,13H,3,6,11-12,14H2,1-2H3,(H,23,25)" . "CC(=O)NCCN1CCc2c1c1CCOc1cc2" . "CC(=O)NCCN1CCc2c1c1CCOc1cc2" . "LTYWTNUOUBBVNZ-UHFFFAOYSA-N" . "InChI=1S/C14H18N2O2/c1-10(17)15-6-8-16-7-4-11-2-3-13-12(14(11)16)5-9-18-13/h2-3H,4-9H2,1H3,(H,15,17)" . "COc1ccc2c(c1)c(c[nH]2)C1CCCN(C1)C(=O)C" . "COc1ccc2c(c1)c(c[nH]2)C1CCCN(C1)C(=O)C" . "RBINAFTXZHPTNU-UHFFFAOYSA-N" . "InChI=1S/C16H20N2O2/c1-11(19)18-7-3-4-12(10-18)15-9-17-16-6-5-13(20-2)8-14(15)16/h5-6,8-9,12,17H,3-4,7,10H2,1-2H3" . "COc1cc2c(CCNC(=O)C)c[nH]c2cc1O" . "COc1cc2c(CCNC(=O)C)c[nH]c2cc1O" . "OMYMRCXOJJZYKE-UHFFFAOYSA-N" . "InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)" . "COc1cc2c(CCNC(=O)C)c[nH]c2cc1Cl" . "COc1cc2c(CCNC(=O)C)c[nH]c2cc1Cl" . "LUINDDOUWHRIPW-UHFFFAOYSA-N" . "InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)" . "OCCOc1ccc2c(c1)c(CCNC(=O)C)c[nH]2" . "OCCOc1ccc2c(c1)c(CCNC(=O)C)c[nH]2" . "CZPLTTWZQPLXMQ-UHFFFAOYSA-N" . "InChI=1S/C14H18N2O3/c1-10(18)15-5-4-11-9-16-14-3-2-12(8-13(11)14)19-7-6-17/h2-3,8-9,16-17H,4-7H2,1H3,(H,15,18)" . "COc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)I" . "COc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)[125I]" . "FJDDSMSDZHURBJ-XSBOKVBDSA-N" . "InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)/i14-2" . "COc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)I" . "COc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)I" . "FJDDSMSDZHURBJ-UHFFFAOYSA-N" . "InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)" . "COc1ccc2c(c1CCCCN1CCN(CC1)CC(c1ccc(cc1)F)N1CCN(CC1)C(C)C)cccc2" . "COc1ccc2c(c1CCCCN1CCN(CC1)C[C@H](c1ccc(cc1)F)N1CCN(CC1)C(C)C)cccc2" . "SLGLZEJKMBCODK-MGBGTMOVSA-N" . "InChI=1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3/t33-/m1/s1" . "O=C(C1NCc2c(C1)cccc2)NC(C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl" . "O=C([C@@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)N1CCC(CC1)(Cn1cncn1)C1CCCCC1)Cc1ccc(cc1)Cl" . "HLCHESOMJVGDSJ-LOYHVIPDSA-N" . "InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1" . "O=C(C1CC2CCC1N(C2)C)NC(C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C)Cc1ccc(cc1)F" . "O=C([C@@H]1C[C@@H]2CC[C@H]1N(C2)C)N[C@@H](C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C)Cc1ccc(cc1)F" . "ARFBDECCXOFCBN-HOLBEBDISA-N" . "InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27+,28+,29+/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)O)Cc1ccc(cc1)O)C(C)C)CCCCN)C(C)C)CCCN=C(N)N)CCCN=C(N)N)NC(=O)C(NC(=O)CNC(=O)C(C(C)C)NC(=O)C1CCCN1C(=O)C(CCCCN)N)CCCCN " . "CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O" . "WNXWTCYVIHOQAJ-IOSGZJLWSA-N" . "InChI=1S/C77H134N24O16/c1-44(2)60(97-67(108)56-26-17-39-99(56)72(113)49(82)20-7-11-33-78)69(110)89-43-59(103)90-50(21-8-12-34-79)63(104)91-51(22-9-13-35-80)64(105)92-53(24-15-37-87-76(83)84)65(106)94-54(25-16-38-88-77(85)86)73(114)100-40-18-27-57(100)68(109)98-62(46(5)6)70(111)93-52(23-10-14-36-81)66(107)96-61(45(3)4)71(112)95-55(42-47-29-31-48(102)32-30-47)74(115)101-41-19-28-58(101)75(116)117/h29-32,44-46,49-58,60-62,102H,7-28,33-43,78-82H2,1-6H3,(H,89,110)(H,90,103)(H,91,104)(H,92,105)(H,93,111)(H,94,106)(H,95,112)(H,96,107)(H,97,108)(H,98,109)(H,116,117)(H4,83,84,87)(H4,85,86,88)/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,60-,61-,62-/m0/s1" . "NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)O)Cc1ccc(cc1)O)C(C)C)CCCCN)C(C)C)CCCN=C(N)N)CCCN=C(N)N)CCCCN)CCCCN)C(C)C)NC(=O)CNC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CO)N)Cc1ccc(cc1)O)CO)CCSC)CCC(=O)O)Cc1c[nH]cn1)Cc1ccccc1)CCCN=C(N)N " . "CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C)C(C)C)C(C)C" . "ZOEFCCMDUURGSE-SQKVDDBVSA-N" . "InChI=1S/C136H210N40O31S/c1-75(2)109(127(200)154-71-106(181)156-88(31-13-17-52-137)114(187)158-89(32-14-18-53-138)115(188)159-91(35-21-56-149-134(142)143)116(189)164-96(37-23-58-151-136(146)147)131(204)175-60-25-39-104(175)126(199)173-111(77(5)6)128(201)163-90(33-15-19-54-139)120(193)171-110(76(3)4)129(202)169-101(65-80-43-47-84(180)48-44-80)132(205)176-61-26-40-105(176)133(206)207)172-125(198)103-38-24-59-174(103)130(203)95(34-16-20-55-140)157-107(182)70-153-113(186)99(66-81-68-152-87-30-12-11-29-85(81)87)167-117(190)92(36-22-57-150-135(144)145)160-121(194)98(63-78-27-9-8-10-28-78)166-123(196)100(67-82-69-148-74-155-82)168-118(191)93(49-50-108(183)184)161-119(192)94(51-62-208-7)162-124(197)102(73-178)170-122(195)97(165-112(185)86(141)72-177)64-79-41-45-83(179)46-42-79/h8-12,27-30,41-48,68-69,74-77,86,88-105,109-111,152,177-180H,13-26,31-40,49-67,70-73,137-141H2,1-7H3,(H,148,155)(H,153,186)(H,154,200)(H,156,181)(H,157,182)(H,158,187)(H,159,188)(H,160,194)(H,161,192)(H,162,197)(H,163,201)(H,164,189)(H,165,185)(H,166,196)(H,167,190)(H,168,191)(H,169,202)(H,170,195)(H,171,193)(H,172,198)(H,173,199)(H,183,184)(H,206,207)(H4,142,143,149)(H4,144,145,150)(H4,146,147,151)/t86-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,109-,110-,111-/m0/s1" . "CN(CCc1[nH]cnc1)C" . "CN(CCc1[nH]cnc1)C" . "ZJDIMSMQXMWMCF-UHFFFAOYSA-N" . "InChI=1S/C7H13N3/c1-10(2)4-3-7-5-8-6-9-7/h5-6H,3-4H2,1-2H3,(H,8,9)" . "CCCCC(C(=O)NC1CC(=O)NCCCC=C(C(=O)NC(=O)C(NC1=O)CC1N=CN=C1)NC(=O)C(CC1CNc2c1cccc2)NC(=O)C(NC(=O)C(Cc1ccc2c(c1)cccc2)N)CCCN=C(N)N)NC(=O)C" . "CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCC/C=C(/C(=O)NC(=O)[C@@H](NC1=O)CC1N=CN=C1)/NC(=O)[C@H](CC1CNc2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc2c(c1)cccc2)N)CCCN=C(N)N)NC(=O)C" . "ORTUTLYEGOSCRP-ATNXLWBUSA-N" . "InChI=1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)68-45-27-46(71)59-21-10-9-17-41(50(75)69-53(78)44(67-52(45)77)26-36-29-58-30-62-36)65-51(76)43(25-35-28-61-39-16-8-7-14-37(35)39)66-49(74)42(18-11-22-60-54(56)57)64-47(72)38(55)24-32-19-20-33-12-5-6-13-34(33)23-32/h5-8,12-14,16-17,19-20,23,29-30,35-36,38,40,42-45,61H,3-4,9-11,15,18,21-22,24-28,55H2,1-2H3,(H,59,71)(H,63,70)(H,64,72)(H,65,76)(H,66,74)(H,67,77)(H,68,73)(H4,56,57,60)(H,69,75,78)/b41-17+/t35?,36?,38-,40+,42+,43+,44+,45+/m1/s1" . "Brc1ccc(c(c1)OC(F)(F)F)CCNC1CCC(CC1)Nc1nc2ccccc2c(n1)N(C)C" . "Brc1ccc(c(c1)OC(F)(F)F)CCN[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C" . "FWKVXHBRMCTKHZ-KDURUIRLSA-N" . "InChI=1S/C25H29BrF3N5O/c1-34(2)23-20-5-3-4-6-21(20)32-24(33-23)31-19-11-9-18(10-12-19)30-14-13-16-7-8-17(26)15-22(16)35-25(27,28)29/h3-8,15,18-19,30H,9-14H2,1-2H3,(H,31,32,33)/t18-,19+" . "Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(CC1)Cc1ccc2c(c1)OCO2" . "Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(CC1)Cc1ccc2c(c1)OCO2" . "FVFURMJFTAJXRH-UHFFFAOYSA-N" . "InChI=1S/C23H21FN2O5/c24-15-2-3-17-18(27)11-22(31-20(17)10-15)23(28)25-16-5-7-26(8-6-16)12-14-1-4-19-21(9-14)30-13-29-19/h1-4,9-11,16H,5-8,12-13H2,(H,25,28)" . "CCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N)C(C)C)CCCCN)Cc1c[nH]c2c1cccc2)CCCNC(=N)N)Cc1ccccc1)Cc1[nH]cnc1)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CO)Cc1ccc(cc1)O)CO" . "CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N)C(C)C)CCCCN)Cc1c[nH]c2c1cccc2)CCCNC(=N)N)Cc1ccccc1)Cc1[nH]cnc1)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CO)Cc1ccc(cc1)O)CO" . "UAHFGYDRQSXQEB-LEBBXHLNSA-N" . "InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1" . "CCCCC(C(=O)NC1CC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)C" . "CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)C" . "JDKLPDJLXHXHNV-MFVUMRCOSA-N" . "InChI=1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1" . "N#Cc1ccc2c(c1)CC(CC2)N(C(=O)Nc1ccc(c(c1)Cl)F)CCCN1CCN(CC1)C" . "N#Cc1ccc2c(c1)CC(CC2)N(C(=O)Nc1ccc(c(c1)Cl)F)CCCN1CCN(CC1)C" . "GQGGDNLJDZHJKN-UHFFFAOYSA-N" . "InChI=1S/C26H31ClFN5O/c1-31-11-13-32(14-12-31)9-2-10-33(26(34)30-22-6-8-25(28)24(27)17-22)23-7-5-20-4-3-19(18-29)15-21(20)16-23/h3-4,6,8,15,17,23H,2,5,7,9-14,16H2,1H3,(H,30,34)" . "COCC1=C(C(=O)OC)C(N(C(=O)N1)C(=O)NCCCN1CCC(CC1)c1cccc(c1)NC(=O)CC)c1ccc(c(c1)F)F" . "COCC1=C(C(=O)OC)[C@@H](N(C(=O)N1)C(=O)NCCCN1CCC(CC1)c1cccc(c1)NC(=O)CC)c1ccc(c(c1)F)F" . "PTSDBXLVMLZQHY-LJAQVGFWSA-N" . "InChI=1S/C32H39F2N5O6/c1-4-27(40)36-23-8-5-7-21(17-23)20-11-15-38(16-12-20)14-6-13-35-31(42)39-29(22-9-10-24(33)25(34)18-22)28(30(41)45-3)26(19-44-2)37-32(39)43/h5,7-10,17-18,20,29H,4,6,11-16,19H2,1-3H3,(H,35,42)(H,36,40)(H,37,43)/t29-/m0/s1" . "Fc1cccc(c1)CCN1C(CCCN=C(N)N)CN(C1=S)C(CNCc1ccccc1)C" . "Fc1cccc(c1)CCN1[C@@H](CCCN=C(N)N)CN(C1=S)[C@H](CNCc1ccccc1)C" . "DSJVYEAOYVHUJW-CVDCTZTESA-N" . "InChI=1S/C25H35FN6S/c1-19(16-29-17-21-7-3-2-4-8-21)32-18-23(11-6-13-30-24(27)28)31(25(32)33)14-12-20-9-5-10-22(26)15-20/h2-5,7-10,15,19,23,29H,6,11-14,16-18H2,1H3,(H4,27,28,30)/t19-,23-/m0/s1" . "CN(CC1CCc2c(C1)ccc(c2)NC(=O)c1ccc(cc1)c1ccc(cc1)F)C" . "CN(CC1CCc2c(C1)ccc(c2)NC(=O)c1ccc(cc1)c1ccc(cc1)F)C" . "GXAQELJVODWLDD-UHFFFAOYSA-N" . "InChI=1S/C26H27FN2O/c1-29(2)17-18-3-4-23-16-25(14-11-22(23)15-18)28-26(30)21-7-5-19(6-8-21)20-9-12-24(27)13-10-20/h5-14,16,18H,3-4,15,17H2,1-2H3,(H,28,30)" . "COCC1=C(C(=O)OC)C(N(C(=O)N1)C(=O)NCCCN1CCC(CC1)c1cccc(c1)NC(=O)C)c1ccc(c(c1)F)F" . "COCC1=C(C(=O)OC)[C@@H](N(C(=O)N1)C(=O)NCCCN1CCC(CC1)c1cccc(c1)NC(=O)C)c1ccc(c(c1)F)F" . "FWMHZWMPUWAUPL-NDEPHWFRSA-N" . "InChI=1S/C31H37F2N5O6/c1-19(39)35-23-7-4-6-21(16-23)20-10-14-37(15-11-20)13-5-12-34-30(41)38-28(22-8-9-24(32)25(33)17-22)27(29(40)44-3)26(18-43-2)36-31(38)42/h4,6-9,16-17,20,28H,5,10-15,18H2,1-3H3,(H,34,41)(H,35,39)(H,36,42)/t28-/m0/s1" . "CCNCCOc1ccc(cc1OC)N(C(=O)c1ccc(cc1)c1ccc(cc1)C(F)(F)F)C" . "CCNCCOc1ccc(cc1OC)N(C(=O)c1ccc(cc1)c1ccc(cc1)C(F)(F)F)C" . "SCEZYQWIHJHQDL-UHFFFAOYSA-N" . "InChI=1S/C26H27F3N2O3/c1-4-30-15-16-34-23-14-13-22(17-24(23)33-3)31(2)25(32)20-7-5-18(6-8-20)19-9-11-21(12-10-19)26(27,28)29/h5-14,17,30H,4,15-16H2,1-3H3" . "Clc1ccc(cc1)c1cc2c(s1)c(=O)n(cn2)c1ccc2c(c1)ccc(c2)CN1CCCCC1" . "Clc1ccc(cc1)c1cc2c(s1)c(=O)n(cn2)c1ccc2c(c1)ccc(c2)CN1CCCCC1" . "FJPBPFUKHDZYIJ-UHFFFAOYSA-N" . "InChI=1S/C28H24ClN3OS/c29-23-9-6-20(7-10-23)26-16-25-27(34-26)28(33)32(18-30-25)24-11-8-21-14-19(4-5-22(21)15-24)17-31-12-2-1-3-13-31/h4-11,14-16,18H,1-3,12-13,17H2" . "O=C(c1ccc(c(c1)F)F)NC1CCC(CC1)Nc1nc2ccccc2c(n1)N(C)C" . "O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C" . "FAIMGWSOSCFGRU-IYBDPMFKSA-N" . "InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+" . "CSCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C(C)C)CCC(=O)N)Cc1c[nH]c2c1cccc2)CS)CO)CCC(=O)N)Cc1ccc(cc1)O)C(C)C)CCCN=C(N)N)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)O)N)Cc1ccccc1)CC(=O)O)CC(C)C)CO)CS " . "CSCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C" . "OLHBYHJFEIBGCZ-HUSDBPEESA-N" . "InChI=1S/C98H147N25O30S3/c1-46(2)33-62(112-83(138)61(30-32-156-10)110-93(148)70(44-154)119-92(147)69(43-125)118-86(141)63(34-47(3)4)115-96(151)79(50(9)126)123-90(145)67(39-76(133)134)114-88(143)64(35-51-17-12-11-13-18-51)111-80(135)56(99)38-75(131)132)81(136)106-41-74(130)107-58(21-16-31-104-98(102)103)84(139)121-77(48(5)6)95(150)116-65(36-52-22-24-54(127)25-23-52)87(142)108-59(26-28-72(100)128)82(137)117-68(42-124)91(146)120-71(45-155)94(149)113-66(37-53-40-105-57-20-15-14-19-55(53)57)89(144)109-60(27-29-73(101)129)85(140)122-78(49(7)8)97(152)153/h11-15,17-20,22-25,40,46-50,56,58-71,77-79,105,124-127,154-155H,16,21,26-39,41-45,99H2,1-10H3,(H2,100,128)(H2,101,129)(H,106,136)(H,107,130)(H,108,142)(H,109,144)(H,110,148)(H,111,135)(H,112,138)(H,113,149)(H,114,143)(H,115,151)(H,116,150)(H,117,137)(H,118,141)(H,119,147)(H,120,146)(H,121,139)(H,122,140)(H,123,145)(H,131,132)(H,133,134)(H,152,153)(H4,102,103,104)/t50-,56+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,77+,78+,79+/m1/s1" . "CSCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C(C)C)CCC(=O)O)Cc1c[nH]c2c1cccc2)CS)CCCN=C(N)N)Cc1ccc(cc1)O)C(C)C)CCCN=C(N)N)C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(CC(=O)O)N)CCSC)CCCN=C(N)N)CS " . "CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C)C(C)C" . "RNKJDHAVPKDCSA-KHBOZDSRSA-N" . "InChI=1S/C89H141N27O24S4/c1-43(2)67(112-76(129)57(29-35-144-9)105-79(132)61(41-141)110-72(125)54(19-13-31-98-88(93)94)103-73(126)56(28-34-143-8)106-84(137)70(46(7)117)115-71(124)51(90)38-66(122)123)82(135)101-40-64(119)102-53(18-12-30-97-87(91)92)74(127)113-68(44(3)4)83(136)109-59(36-47-22-24-49(118)25-23-47)77(130)107-58(20-14-32-99-89(95)96)85(138)116-33-15-21-63(116)81(134)111-62(42-142)80(133)108-60(37-48-39-100-52-17-11-10-16-50(48)52)78(131)104-55(26-27-65(120)121)75(128)114-69(45(5)6)86(139)140/h10-11,16-17,22-25,39,43-46,51,53-63,67-70,100,117-118,141-142H,12-15,18-21,26-38,40-42,90H2,1-9H3,(H,101,135)(H,102,119)(H,103,126)(H,104,131)(H,105,132)(H,106,137)(H,107,130)(H,108,133)(H,109,136)(H,110,125)(H,111,134)(H,112,129)(H,113,127)(H,114,128)(H,115,124)(H,120,121)(H,122,123)(H,139,140)(H4,91,92,97)(H4,93,94,98)(H4,95,96,99)/t46-,51+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,67+,68+,69+,70+/m1/s1" . "CSCCC1NC(=O)C(CSSCC(NC(=O)C2CCCN2C(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC1=O)C(C)C)CCCNC(=N)N)C(C)C)Cc1ccc(cc1)O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C(C)C)CCC(=O)O)Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(CC(=O)O)N)CCSC)CCCNC(=N)N" . "CSCCC1NC(=O)C(CSSCC(NC(=O)C2CCCN2C(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC1=O)C(C)C)CCCNC(=N)N)C(C)C)Cc1ccc(cc1)O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C(C)C)CCC(=O)O)Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(CC(=O)O)N)CCSC)CCCNC(=N)N" . "ORRDHOMWDPJSNL-UHFFFAOYSA-N" . "InChI=1S/C89H139N27O24S4/c1-43(2)67-82(135)101-40-64(119)102-53(18-12-30-97-87(91)92)74(127)113-68(44(3)4)83(136)109-59(36-47-22-24-49(118)25-23-47)77(130)107-58(20-14-32-99-89(95)96)85(138)116-33-15-21-63(116)81(134)111-62(80(133)108-60(37-48-39-100-52-17-11-10-16-50(48)52)78(131)104-55(26-27-65(120)121)75(128)114-69(45(5)6)86(139)140)42-144-143-41-61(79(132)105-57(29-35-142-9)76(129)112-67)110-72(125)54(19-13-31-98-88(93)94)103-73(126)56(28-34-141-8)106-84(137)70(46(7)117)115-71(124)51(90)38-66(122)123/h10-11,16-17,22-25,39,43-46,51,53-63,67-70,100,117-118H,12-15,18-21,26-38,40-42,90H2,1-9H3,(H,101,135)(H,102,119)(H,103,126)(H,104,131)(H,105,132)(H,106,137)(H,107,130)(H,108,133)(H,109,136)(H,110,125)(H,111,134)(H,112,129)(H,113,127)(H,114,128)(H,115,124)(H,120,121)(H,122,123)(H,139,140)(H4,91,92,97)(H4,93,94,98)(H4,95,96,99)" . "CSCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)CO)CCCN=C(N)N)Cc1ccc(cc1)O)C(C)C)CCCN=C(N)N)CC(C)C)NC(=O)C(NC(=O)C(CCCN=C(N)N)N)CO " . "CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(C)C" . "GFASBNQMQCNUCJ-AGPCLTJXSA-N" . "InChI=1S/C67H106N22O16S/c1-35(2)28-46(83-56(96)44(22-27-106-5)81-59(99)49(33-90)86-54(94)41(68)13-8-23-75-65(69)70)55(95)79-32-52(93)80-43(15-9-24-76-66(71)72)57(97)88-53(36(3)4)62(102)84-47(29-37-18-20-39(92)21-19-37)58(98)82-45(16-10-25-77-67(73)74)63(103)89-26-11-17-51(89)61(101)87-50(34-91)60(100)85-48(64(104)105)30-38-31-78-42-14-7-6-12-40(38)42/h6-7,12,14,18-21,31,35-36,41,43-51,53,78,90-92H,8-11,13,15-17,22-30,32-34,68H2,1-5H3,(H,79,95)(H,80,93)(H,81,99)(H,82,98)(H,83,96)(H,84,102)(H,85,100)(H,86,94)(H,87,101)(H,88,97)(H,104,105)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t41-,43-,44-,45-,46-,47-,48-,49-,50-,51-,53-/m0/s1" . "Cc1c(CCN)nc[nH]1" . "Cc1c(CCN)nc[nH]1" . "UGYXPZQILZRKJJ-UHFFFAOYSA-N" . "InChI=1S/C6H11N3/c1-5-6(2-3-7)9-4-8-5/h4H,2-3,7H2,1H3,(H,8,9)" . "CSCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)CS)CCCN=C(N)N)Cc1ccc(cc1)O)C(C)C)CCCN=C(N)N)CC(C)C)NC(=O)C(NC(=O)C(CCCN=C(N)N)N)CS " . "CSCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(C)C" . "ZPYOSWSJKAUFEF-AGPCLTJXSA-N" . "InChI=1S/C67H106N22O14S3/c1-35(2)28-46(83-56(94)44(22-27-106-5)81-59(97)49(33-104)86-54(92)41(68)13-8-23-75-65(69)70)55(93)79-32-52(91)80-43(15-9-24-76-66(71)72)57(95)88-53(36(3)4)62(100)84-47(29-37-18-20-39(90)21-19-37)58(96)82-45(16-10-25-77-67(73)74)63(101)89-26-11-17-51(89)61(99)87-50(34-105)60(98)85-48(64(102)103)30-38-31-78-42-14-7-6-12-40(38)42/h6-7,12,14,18-21,31,35-36,41,43-51,53,78,90,104-105H,8-11,13,15-17,22-30,32-34,68H2,1-5H3,(H,79,93)(H,80,91)(H,81,97)(H,82,96)(H,83,94)(H,84,100)(H,85,98)(H,86,92)(H,87,99)(H,88,95)(H,102,103)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t41-,43-,44-,45-,46-,47-,48-,49-,50-,51-,53-/m0/s1" . "Ic1ccc(cc1)COCCCc1cnc[nH]1" . "[123I]c1ccc(cc1)COCCCc1cnc[nH]1" . "DCQNAFOCXVCDLB-CKVWVWRJSA-N" . "InChI=1S/C13H15IN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)/i14-4" . "C(CCc1cnc[nH]1)CCNC1CCCCC1" . "C(CCc1cnc[nH]1)CCNC1CCCCC1" . "XFSHNAXXKOSENG-UHFFFAOYSA-N" . "InChI=1S/C14H25N3/c1-3-7-13(8-4-1)16-10-6-2-5-9-14-11-15-12-17-14/h11-13,16H,1-10H2,(H,15,17)" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)C)C)NC(=O)C(NC(=O)C(NC(=O)C(OC1C(O)C(CO)OC(C1NC(=O)C)OP(=O)(OP(=O)(OCC1OC(C(C1O)O)n1ccc(=O)[nH]c1=O)O)O)C)C)CCC(=O)O" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)C)C)NC(=O)C(NC(=O)C(NC(=O)C(OC1C(O)C(CO)OC(C1NC(=O)C)OP(=O)(OP(=O)(OCC1OC(C(C1O)O)n1ccc(=O)[nH]c1=O)O)O)C)C)CCC(=O)O" . "QAXSYKNMKWGHOF-UHFFFAOYSA-N" . "InChI=1S/C40H65N9O26P2/c1-16(32(58)44-18(3)38(63)64)43-35(61)21(8-6-7-12-41)47-36(62)22(9-10-26(53)54)46-33(59)17(2)42-34(60)19(4)71-31-27(45-20(5)51)39(73-23(14-50)29(31)56)74-77(68,69)75-76(66,67)70-15-24-28(55)30(57)37(72-24)49-13-11-25(52)48-40(49)65/h11,13,16-19,21-24,27-31,37,39,50,55-57H,6-10,12,14-15,41H2,1-5H3,(H,42,60)(H,43,61)(H,44,58)(H,45,51)(H,46,59)(H,47,62)(H,53,54)(H,63,64)(H,66,67)(H,68,69)(H,48,52,65)" . "OCC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C(=O)O)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)CN)CO)CC(C)C " . "CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O" . "ANGOCTQQCKYVPZ-FTBSUAHMSA-N" . "InChI=1S/C38H61N9O15/c1-19(2)15-22(41-32(55)23(17-48)42-34(57)30(20(3)50)44-28(51)16-39)31(54)43-24(18-49)35(58)46-13-5-8-26(46)37(60)47-14-6-9-27(47)36(59)45-12-4-7-25(45)33(56)40-21(38(61)62)10-11-29(52)53/h19-27,30,48-50H,4-18,39H2,1-3H3,(H,40,56)(H,41,55)(H,42,57)(H,43,54)(H,44,51)(H,52,53)(H,61,62)/t20-,21+,22+,23+,24+,25+,26+,27+,30+/m1/s1" . "NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)O)C(CC)C)CCC(=O)N)CCCN=C(N)N)CO)Cc1nc[nH]c1)C)CO)CC(C)C)CCC(=O)N)CCC(=O)N)CO)CO)CO)CCC(=O)O)CO)CC(C)C)CO)C(O)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)O" . "ZVRORVZRRLARFN-PSGMQYSGSA-N" . "InChI=1S/C119H190N36O42/c1-9-59(6)92(117(195)155-41-17-25-84(155)118(196)197)148-98(176)65(27-31-86(122)165)135-95(173)63(18-10-34-127-119(124)125)134-103(181)73(51-158)144-101(179)70(44-62-46-126-56-130-62)140-109(187)79-20-12-35-149(79)111(189)60(7)131-102(180)72(50-157)143-99(177)68(42-57(2)3)132-89(168)48-129-106(184)78-19-11-36-150(78)112(190)67(28-32-87(123)166)138-96(174)64(26-30-85(121)164)136-107(185)80-21-13-37-151(80)113(191)76(54-161)133-90(169)47-128-94(172)71(49-156)141-105(183)74(52-159)142-97(175)66(29-33-91(170)171)137-108(186)81-22-14-38-152(81)115(193)83-24-16-40-154(83)116(194)82-23-15-39-153(82)114(192)77(55-162)146-100(178)69(43-58(4)5)139-104(182)75(53-160)145-110(188)93(61(8)163)147-88(167)45-120/h46,56-61,63-84,92-93,156-163H,9-45,47-55,120H2,1-8H3,(H2,121,164)(H2,122,165)(H2,123,166)(H,126,130)(H,128,172)(H,129,184)(H,131,180)(H,132,168)(H,133,169)(H,134,181)(H,135,173)(H,136,185)(H,137,186)(H,138,174)(H,139,182)(H,140,187)(H,141,183)(H,142,175)(H,143,177)(H,144,179)(H,145,188)(H,146,178)(H,147,167)(H,148,176)(H,170,171)(H,196,197)(H4,124,125,127)/t59-,60-,61+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,92-,93-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccccc1)CCCN=C(N)N)CC(C)C)Cc1ccccc1)CO)CC(=O)N)Cc1c[nH]c2c1cccc2)CC(=O)N)Cc1ccc(cc1)O)CC(=O)N)CC(C)C)CC(=O)O)N " . "CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O" . "UPGGDOAAEKSKQI-UGPGGNGJSA-N" . "InChI=1S/C88H123N23O23/c1-46(2)33-57(77(123)100-56(24-15-31-96-88(94)95)76(122)109-66(87(133)134)37-49-19-9-6-10-20-49)99-72(117)44-98-75(121)58(35-48-17-7-5-8-18-48)102-84(130)67(45-112)110-82(128)62(40-70(92)115)106-79(125)60(38-51-43-97-55-23-12-11-21-53(51)55)104-80(126)61(39-69(91)114)105-78(124)59(36-50-26-28-52(113)29-27-50)103-81(127)63(41-71(93)116)107-85(131)68-25-16-32-111(68)86(132)65(34-47(3)4)108-83(129)64(42-73(118)119)101-74(120)54(90)22-13-14-30-89/h5-12,17-21,23,26-29,43,46-47,54,56-68,97,112-113H,13-16,22,24-25,30-42,44-45,89-90H2,1-4H3,(H2,91,114)(H2,92,115)(H2,93,116)(H,98,121)(H,99,117)(H,100,123)(H,101,120)(H,102,130)(H,103,127)(H,104,126)(H,105,124)(H,106,125)(H,107,131)(H,108,129)(H,109,122)(H,110,128)(H,118,119)(H,133,134)(H4,94,95,96)/t54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-/m0/s1" . "OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CCCN=C(N)N)CC(C)C)Cc1ccccc1)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)CC(=O)N)CC(=O)N" . "OC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CCCN=C(N)N)CC(C)C)Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)CC(=O)N)CC(=O)N" . "RITKWYDZSSQNJI-INXYWQKQSA-N" . "InChI=1S/C63H83N17O14/c1-34(2)24-45(58(90)74-43(18-11-23-70-63(68)69)57(89)75-44(54(67)86)26-35-12-5-3-6-13-35)73-53(85)32-72-56(88)46(27-36-14-7-4-8-15-36)77-62(94)50(33-81)80-61(93)49(30-52(66)84)79-59(91)47(28-38-31-71-42-17-10-9-16-40(38)42)78-60(92)48(29-51(65)83)76-55(87)41(64)25-37-19-21-39(82)22-20-37/h3-10,12-17,19-22,31,34,41,43-50,71,81-82H,11,18,23-30,32-33,64H2,1-2H3,(H2,65,83)(H2,66,84)(H2,67,86)(H,72,88)(H,73,85)(H,74,90)(H,75,89)(H,76,87)(H,77,94)(H,78,92)(H,79,91)(H,80,93)(H4,68,69,70)/t41-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1" . "Clc1ccc(cc1)CN(C(=N)N)CCCCCCCN1CCCC1" . "Clc1ccc(cc1)CN(C(=N)N)CCCCCCCN1CCCC1" . "ZRIVDXCYPBUSKL-UHFFFAOYSA-N" . "InChI=1S/C19H31ClN4/c20-18-10-8-17(9-11-18)16-24(19(21)22)15-5-3-1-2-4-12-23-13-6-7-14-23/h8-11H,1-7,12-16H2,(H3,21,22)" . "O=C(NC1CC1c1cnc[nH]1)OCC1CCCCC1" . "O=C(N[C@@H]1C[C@H]1c1cnc[nH]1)OCC1CCCCC1" . "SLQAVEDMASVHTL-VXGBXAGGSA-N" . "InChI=1S/C14H21N3O2/c18-14(19-8-10-4-2-1-3-5-10)17-12-6-11(12)13-7-15-9-16-13/h7,9-12H,1-6,8H2,(H,15,16)(H,17,18)/t11-,12-/m1/s1" . "OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CCCN=C(N)N)CC(C)C)Cc1ccccc1)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)CC(=O)N)CC(=O)N " . "CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O" . "RITKWYDZSSQNJI-INXYWQKQSA-N" . "InChI=1S/C63H83N17O14/c1-34(2)24-45(58(90)74-43(18-11-23-70-63(68)69)57(89)75-44(54(67)86)26-35-12-5-3-6-13-35)73-53(85)32-72-56(88)46(27-36-14-7-4-8-15-36)77-62(94)50(33-81)80-61(93)49(30-52(66)84)79-59(91)47(28-38-31-71-42-17-10-9-16-40(38)42)78-60(92)48(29-51(65)83)76-55(87)41(64)25-37-19-21-39(82)22-20-37/h3-10,12-17,19-22,31,34,41,43-50,71,81-82H,11,18,23-30,32-33,64H2,1-2H3,(H2,65,83)(H2,66,84)(H2,67,86)(H,72,88)(H,73,85)(H,74,90)(H,75,89)(H,76,87)(H,77,94)(H,78,92)(H,79,91)(H,80,93)(H4,68,69,70)/t41-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccccc1)CCCN=C(N)N)CC(C)C)Cc1ccccc1)CO)CC(=O)N)Cc1c[nH]c2c1cccc2)CC(=O)N)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CC(C)C)CC(=O)O)N " . "CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O" . "UTAAZKWWXGMSAO-IBIYWHNXSA-N" . "InChI=1S/C93H126N22O23/c1-50(2)37-63(82(127)104-62(24-15-35-100-93(98)99)81(126)113-72(92(137)138)42-53-19-9-6-10-20-53)103-77(121)48-102-80(125)64(39-52-17-7-5-8-18-52)106-89(134)73(49-116)114-87(132)69(45-76(97)120)110-85(130)67(43-56-47-101-61-23-12-11-21-59(56)61)108-86(131)68(44-75(96)119)109-83(128)65(40-54-26-30-57(117)31-27-54)107-84(129)66(41-55-28-32-58(118)33-29-55)111-90(135)74-25-16-36-115(74)91(136)71(38-51(3)4)112-88(133)70(46-78(122)123)105-79(124)60(95)22-13-14-34-94/h5-12,17-21,23,26-33,47,50-51,60,62-74,101,116-118H,13-16,22,24-25,34-46,48-49,94-95H2,1-4H3,(H2,96,119)(H2,97,120)(H,102,125)(H,103,121)(H,104,127)(H,105,124)(H,106,134)(H,107,129)(H,108,131)(H,109,128)(H,110,130)(H,111,135)(H,112,133)(H,113,126)(H,114,132)(H,122,123)(H,137,138)(H4,98,99,100)/t60-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-/m0/s1" . "CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl" . "CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl" . "HUQJRYMLJBBEDO-UHFFFAOYSA-N" . "InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3" . "CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl" . "CN1CCN(CC1)C(=O)c1cc2c([nH]1)ccc(c2)Cl" . "HUQJRYMLJBBEDO-UHFFFAOYSA-N" . "InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3" . "CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl" . "CN1CCN(CC1)C(=O)c1nc2c([nH]1)cc(cc2)Cl" . "MOIWSUQWIOVGRH-UHFFFAOYSA-N" . "InChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13(19)12-15-10-3-2-9(14)8-11(10)16-12/h2-3,8H,4-7H2,1H3,(H,15,16)" . "CN=C(NC#N)NCCCc1cnc[nH]1" . "CN=C(NC#N)NCCCc1cnc[nH]1" . "CXTGREPICTYOGB-UHFFFAOYSA-N" . "InChI=1S/C9H14N6/c1-11-9(14-6-10)13-4-2-3-8-5-12-7-15-8/h5,7H,2-4H2,1H3,(H,12,15)(H2,11,13,14)" . "NC(=N)SCCN=C(N)N" . "NC(=N)SCCN=C(N)N" . "GSYGTVNTZHFQQH-UHFFFAOYSA-N" . "InChI=1S/C4H11N5S/c5-3(6)9-1-2-10-4(7)8/h1-2H2,(H3,7,8)(H4,5,6,9)" . "CC(NCCc1cnc[nH]1)CCCCC(=O)Nc1ccc(cc1)C(F)(F)F" . "CC(NCCc1cnc[nH]1)CCCCC(=O)Nc1ccc(cc1)C(F)(F)F" . "PMKJGGBYYNEYPA-UHFFFAOYSA-N" . "InChI=1S/C19H25F3N4O/c1-14(24-11-10-17-12-23-13-25-17)4-2-3-5-18(27)26-16-8-6-15(7-9-16)19(20,21)22/h6-9,12-14,24H,2-5,10-11H2,1H3,(H,23,25)(H,26,27)" . "S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1" . "S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1" . "QKDDJDBFONZGBW-UHFFFAOYSA-N" . "InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)" . "NC(SCCCc1cnc[nH]1)NCCc1ccc(cc1)I" . "N[C@H](SCCCc1cnc[nH]1)NCCc1ccc(cc1)I" . "UWFACTDPNOOPFV-HNNXBMFYSA-N" . "InChI=1S/C15H21IN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11,15,19H,1-2,7-9,17H2,(H,18,20)/t15-/m0/s1" . "O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1" . "O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1" . "ACQBHJXEAYTHCY-UHFFFAOYSA-N" . "InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)" . "CCCN(C1CCc2c(C1)c(O)ccc2)CCC" . "CCCN(C1CCc2c(C1)c(O)ccc2)CCC" . "ASXGJMSKWNBENU-UHFFFAOYSA-N" . "InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3" . "CC(C(=O)N1CCN(CC1)CCCOc1ccc(cc1)C(=O)C1CC1)N" . "C[C@H](C(=O)N1CCN(CC1)CCCOc1ccc(cc1)C(=O)C1CC1)N" . "KPXVCGPCRXEDLT-OAHLLOKOSA-N" . "InChI=1S/C20H29N3O3/c1-15(21)20(25)23-12-10-22(11-13-23)9-2-14-26-18-7-5-17(6-8-18)19(24)16-3-4-16/h5-8,15-16H,2-4,9-14,21H2,1H3/t15-/m1/s1" . "N#Cc1ccc(cc1)OCCCN1CCCCC1" . "N#Cc1ccc(cc1)OCCCN1CCCCC1" . "RHMNKKOAWUCDRK-UHFFFAOYSA-N" . "InChI=1S/C15H20N2O/c16-13-14-5-7-15(8-6-14)18-12-4-11-17-9-2-1-3-10-17/h5-8H,1-4,9-12H2" . "C1CCN(CC1)CCCOc1ccc(cc1)CN1CCCCC1" . "C1CCN(CC1)CCCOc1ccc(cc1)CN1CCCCC1" . "PTKHFRNHJULJKT-UHFFFAOYSA-N" . "InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2" . "C(CCc1cnc[nH]1)OCc1ccccc1" . "C(CCc1cnc[nH]1)OCc1ccccc1" . "WNWALBVQAAIULR-UHFFFAOYSA-N" . "InChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,14,15)" . "CN1CCC(CC1)Cc1[nH]cnc1" . "CN1CCC(CC1)Cc1[nH]cnc1" . "KIAVPENCSGKVQP-UHFFFAOYSA-N" . "InChI=1S/C10H17N3/c1-13-4-2-9(3-5-13)6-10-7-11-8-12-10/h7-9H,2-6H2,1H3,(H,11,12)" . "Ic1ccc(cc1)COCCCc1cnc[nH]1" . "Ic1ccc(cc1)COCCCc1cnc[nH]1" . "DCQNAFOCXVCDLB-UHFFFAOYSA-N" . "InChI=1S/C13H15IN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)" . "NCCCCCc1cnc[nH]1" . "NCCCCCc1cnc[nH]1" . "MZCJWLAXZRFUPI-UHFFFAOYSA-N" . "InChI=1S/C8H15N3/c9-5-3-1-2-4-8-6-10-7-11-8/h6-7H,1-5,9H2,(H,10,11)" . "N1CCC(CC1)Cc1[nH]cnc1" . "N1CCC(CC1)Cc1[nH]cnc1" . "MCNGUYXRBCIGOV-UHFFFAOYSA-N" . "InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)" . "NC(=N)SCCc1cnc[nH]1" . "NC(=N)SCCc1cnc[nH]1" . "PEHSVUKQDJULKE-UHFFFAOYSA-N" . "InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)" . "NCCCCc1cnc[nH]1" . "NCCCCc1cnc[nH]1" . "VJSUMPPMFYQOMP-UHFFFAOYSA-N" . "InChI=1S/C7H13N3/c8-4-2-1-3-7-5-9-6-10-7/h5-6H,1-4,8H2,(H,9,10)" . "CN(CCCSC(=N)N)C" . "CN(CCCSC(=N)N)C" . "OLHQOJYVQUNWPL-UHFFFAOYSA-N" . "InChI=1S/C6H15N3S/c1-9(2)4-3-5-10-6(7)8/h3-5H2,1-2H3,(H3,7,8)" . "NCCc1cnc[nH]1" . "NCCc1cnc[nH]1" . "NTYJJOPFIAHURM-UHFFFAOYSA-N" . "InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)" . "NC(=N)SCCCc1cnc[nH]1" . "NC(=N)SCCCc1cnc[nH]1" . "QJUVWGBVEFRHCN-UHFFFAOYSA-N" . "InChI=1S/C7H12N4S/c8-7(9)12-3-1-2-6-4-10-5-11-6/h4-5H,1-3H2,(H3,8,9)(H,10,11)" . "CN(CCCCCc1[nH]cnc1)C" . "CN(CCCCCc1[nH]cnc1)C" . "MVHBNHUOEFGIBK-UHFFFAOYSA-N" . "InChI=1S/C10H19N3/c1-13(2)7-5-3-4-6-10-8-11-9-12-10/h8-9H,3-7H2,1-2H3,(H,11,12)" . "CC(CCC#CC1CC1c1[nH]cnc1)(C)C" . "CC(CCC#C[C@@H]1C[C@H]1c1[nH]cnc1)(C)C" . "CVKJAXCQPFOAIN-VXGBXAGGSA-N" . "InChI=1S/C14H20N2/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13/h9-12H,5,7-8H2,1-3H3,(H,15,16)/t11-,12-/m1/s1" . "Clc1ccc(cc1)Cc1noc(n1)CCc1cnc[nH]1" . "Clc1ccc(cc1)Cc1noc(n1)CCc1cnc[nH]1" . "CPOUJACQGWJJQB-UHFFFAOYSA-N" . "InChI=1S/C14H13ClN4O/c15-11-3-1-10(2-4-11)7-13-18-14(20-19-13)6-5-12-8-16-9-17-12/h1-4,8-9H,5-7H2,(H,16,17)" . "Cn1cc(nc1)CCN" . "Cn1cc(nc1)CCN" . "FHQDWPCFSJMNCT-UHFFFAOYSA-N" . "InChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3" . "Cn1cc(nc1)CCN" . "Cn1cc(nc1)CCN" . "FHQDWPCFSJMNCT-UHFFFAOYSA-N" . "InChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3" . "CNCCc1cnc[nH]1" . "CNCCc1cnc[nH]1" . "PHSPJQZRQAJPPF-UHFFFAOYSA-N" . "InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)" . "CNCCc1cnc[nH]1" . "CNCCc1cnc[nH]1" . "PHSPJQZRQAJPPF-UHFFFAOYSA-N" . "InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)" . "CC(Cc1cnc[nH]1)N" . "C[C@@H](Cc1cnc[nH]1)N" . "XNQIOISZPFVUFG-YFKPBYRVSA-N" . "InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m0/s1" . "CC(Cc1cnc[nH]1)N" . "C[C@H](Cc1cnc[nH]1)N" . "XNQIOISZPFVUFG-RXMQYKEDSA-N" . "InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1" . "CC(Cc1cnc[nH]1)N" . "C[C@H](Cc1cnc[nH]1)N" . "XNQIOISZPFVUFG-RXMQYKEDSA-N" . "InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1" . "N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N" . "N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N" . "YDDXVAXDYKBWDX-UHFFFAOYSA-N" . "InChI=1S/C10H16N8S2/c1-14-9(16-6-11)15-2-3-19-4-7-5-20-10(17-7)18-8(12)13/h5H,2-4H2,1H3,(H2,14,15,16)(H4,12,13,17,18)" . "CNC(=C[N+](=O)[O-])NCCSCc1ccc(o1)CN(C)C" . "CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C" . "VMXUWOKSQNHOCA-UKTHLTGXSA-N" . "InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+" . "CNC(=S)NCCSCc1nc[nH]c1C" . "CNC(=S)NCCSCc1nc[nH]c1C" . "FPBPLBWLMYGIQR-UHFFFAOYSA-N" . "InChI=1S/C9H16N4S2/c1-7-8(13-6-12-7)5-15-4-3-11-9(14)10-2/h6H,3-5H2,1-2H3,(H,12,13)(H2,10,11,14)" . "N#CNC(=NCCCOc1cccc(c1)CN1CCCCC1)NCCNC(=O)c1ccc(c(c1)I)N" . "N#CNC(=NCCCOc1cccc(c1)CN1CCCCC1)NCCNC(=O)c1ccc(c(c1)I)N" . "VJTYCMQYDRXNNY-UHFFFAOYSA-N" . "InChI=1S/C26H34IN7O2/c27-23-17-21(8-9-24(23)29)25(35)30-11-12-32-26(33-19-28)31-10-5-15-36-22-7-4-6-20(16-22)18-34-13-2-1-3-14-34/h4,6-9,16-17H,1-3,5,10-15,18,29H2,(H,30,35)(H2,31,32,33)" . "N#CNC(=NC)NCCSCc1nc[nH]c1C" . "N#CNC(=NC)NCCSCc1nc[nH]c1C" . "AQIXAKUUQRKLND-UHFFFAOYSA-N" . "InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)" . "N#CNC(=NCCCOc1cccc(c1)CN1CCCCC1)NCCNC(=O)c1ccc(c(c1)I)N" . "N#CNC(=NCCCOc1cccc(c1)CN1CCCCC1)NCCNC(=O)c1ccc(c(c1)[125I])N" . "VJTYCMQYDRXNNY-ALRLDUCRSA-N" . "InChI=1S/C26H34IN7O2/c27-23-17-21(8-9-24(23)29)25(35)30-11-12-32-26(33-19-28)31-10-5-15-36-22-7-4-6-20(16-22)18-34-13-2-1-3-14-34/h4,6-9,16-17H,1-3,5,10-15,18,29H2,(H,30,35)(H2,31,32,33)/i27-2" . "CNC(=S)NCCCCc1cccc2c1cn[nH]2" . "CNC(=S)NCCCCc1cccc2c1cn[nH]2" . "TXQIYKPZFOKCHA-UHFFFAOYSA-N" . "InChI=1S/C13H18N4S/c1-14-13(18)15-8-3-2-5-10-6-4-7-12-11(10)9-16-17-12/h4,6-7,9H,2-3,5,8H2,1H3,(H,16,17)(H2,14,15,18)" . "Cc1ccc(cc1)C(=CCN1CCCC1)c1ccccn1" . "Cc1ccc(cc1)/C(=C/CN1CCCC1)/c1ccccn1" . "CBEQULMOCCWAQT-WOJGMQOQSA-N" . "InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+" . "COc1ccc(cc1)CN(c1ccccn1)CCN(C)C" . "COc1ccc(cc1)CN(c1ccccn1)CCN(C)C" . "YECBIJXISLIIDS-UHFFFAOYSA-N" . "InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3" . "NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C" . "NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C" . "MURRAGMMNAYLNA-UHFFFAOYSA-N" . "InChI=1S/C14H23N7S/c1-11-13(21-10-19-11)8-22-6-5-18-14(15)17-4-2-3-12-7-16-9-20-12/h7,9-10H,2-6,8H2,1H3,(H,16,20)(H,19,21)(H3,15,17,18)" . "CN(CCC=C1c2ccccc2OCc2c1cccc2)C" . "CN(CC/C=C/1/c2ccccc2OCc2c1cccc2)C" . "ODQWQRRAPPTVAG-GZTJUZNOSA-N" . "InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+" . "CN(CCOC(c1ccccc1)c1ccccc1)C" . "CN(CCOC(c1ccccc1)c1ccccc1)C" . "ZZVUWRFHKOJYTH-UHFFFAOYSA-N" . "InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3" . "Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N" . "Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N" . "UCAIEVHKDLMIFL-UHFFFAOYSA-N" . "InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)" . "OC(=O)COCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1" . "OC(=O)COCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1" . "ZKLPARSLTMPFCP-UHFFFAOYSA-N" . "InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)" . "NC(=NCCCc1[nH]cnc1)NCCC(c1ccccn1)c1ccc(cc1)F" . "NC(=NCCCc1[nH]cnc1)NCCC(c1ccccn1)c1ccc(cc1)F" . "KZZIVOLMJPSDEP-UHFFFAOYSA-N" . "InChI=1S/C21H25FN6/c22-17-8-6-16(7-9-17)19(20-5-1-2-11-25-20)10-13-27-21(23)26-12-3-4-18-14-24-15-28-18/h1-2,5-9,11,14-15,19H,3-4,10,12-13H2,(H,24,28)(H3,23,26,27)" . "COc1ccc(cc1)CN(c1ccccn1)CCN(C)C" . "COc1ccc(cc1)CN(c1ccc(cn1)[3H])CCN(C)C" . "YECBIJXISLIIDS-XHHURNKPSA-N" . "InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3/i5T" . "NC(=NCCCc1[nH]cnc1)NCCC(c1ccccn1)c1ccc(cc1)Cl" . "NC(=NCCCc1[nH]cnc1)NCCC(c1ccccn1)c1ccc(cc1)Cl" . "ZOROCGHIPADEFK-UHFFFAOYSA-N" . "InChI=1S/C21H25ClN6/c22-17-8-6-16(7-9-17)19(20-5-1-2-11-25-20)10-13-27-21(23)26-12-3-4-18-14-24-15-28-18/h1-2,5-9,11,14-15,19H,3-4,10,12-13H2,(H,24,28)(H3,23,26,27)" . "N#Cc1ccc(cc1)c1ccc2c(c1)cc(o2)CCN1CCCC1C" . "N#Cc1ccc(cc1)c1ccc2c(c1)cc(o2)CCN1CCC[C@H]1C" . "KFHYZKCRXNRKRC-MRXNPFEDSA-N" . "InChI=1S/C22H22N2O/c1-16-3-2-11-24(16)12-10-21-14-20-13-19(8-9-22(20)25-21)18-6-4-17(15-23)5-7-18/h4-9,13-14,16H,2-3,10-12H2,1H3/t16-/m1/s1" . "COC(C(C(OC(=O)C)COC(=O)C)OC)C(OC(=O)C)C" . "CO[C@H]([C@H]([C@H](C(OC(=O)C)[2H])OC(=O)C)OC)[C@@H](OC(=O)C)C" . "QMLMVXJUHILWSZ-DKKHZOHASA-N" . "InChI=1S/C14H24O8/c1-8(21-10(3)16)13(18-5)14(19-6)12(22-11(4)17)7-20-9(2)15/h8,12-14H,7H2,1-6H3/t8-,12-,13-,14-/m0/s1/i7D/t7?,8-,12-,13-,14-" . "O=C(C(NC(=O)c1ccco1)C)N1CCN(CC1)CCCOc1ccc(cc1)C(=O)C1CC1" . "O=C([C@H](NC(=O)c1ccco1)C)N1CCN(CC1)CCCOc1ccc(cc1)C(=O)C1CC1" . "RTRADBQSZJIRMT-GOSISDBHSA-N" . "InChI=1S/C25H31N3O5/c1-18(26-24(30)22-4-2-16-33-22)25(31)28-14-12-27(13-15-28)11-3-17-32-21-9-7-20(8-10-21)23(29)19-5-6-19/h2,4,7-10,16,18-19H,3,5-6,11-15,17H2,1H3,(H,26,30)/t18-/m1/s1" . "OC(=O)COCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1" . "OC(=O)COCCN1CCN(CC1)[C@H](c1ccc(cc1)Cl)c1ccccc1" . "ZKLPARSLTMPFCP-NRFANRHFSA-N" . "InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m0/s1" . "OC(=O)COCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1" . "OC(=O)COCCN1CCN(CC1)[C@@H](c1ccc(cc1)Cl)c1ccccc1" . "ZKLPARSLTMPFCP-OAQYLSRUSA-N" . "InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m1/s1" . "CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C" . "CN(CC[C@@H](c1ccccn1)c1ccc(cc1)Cl)C" . "SOYKEARSMXGVTM-OAHLLOKOSA-N" . "InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m1/s1" . "CN(C1Cc2ccccc2C(C1)c1ccccc1)C" . "CN([C@H]1Cc2ccccc2[C@@H](C1)c1ccccc1)C" . "DXJUCAUQIHNOAF-WMZOPIPTSA-N" . "InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m0/s1" . "CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C" . "CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C" . "SOYKEARSMXGVTM-HNNXBMFYSA-N" . "InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m0/s1" . "CN(C1Cc2ccccc2C(C1)c1ccccc1)C" . "CN([C@@H]1Cc2ccccc2[C@H](C1)c1ccccc1)C" . "DXJUCAUQIHNOAF-SJLPKXTDSA-N" . "InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m1/s1" . "CN(C1Cc2ccccc2C(C1)c1ccccc1)C" . "CN([C@H]1Cc2ccccc2[C@H](C1)c1ccccc1)C" . "DXJUCAUQIHNOAF-FUHWJXTLSA-N" . "InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18+/m0/s1" . "CN(C1Cc2ccccc2C(C1)c1ccccc1)C" . "CN([C@@H]1Cc2ccccc2[C@H](C1)c1ccccc1)C" . "DXJUCAUQIHNOAF-SJLPKXTDSA-N" . "InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m1/s1" . "CN(C1Cc2ccccc2C(C1)c1ccccc1)C" . "CN([C@@H]1Cc2ccccc2[C@@H](C1)c1ccccc1)C" . "DXJUCAUQIHNOAF-AEFFLSMTSA-N" . "InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18+/m1/s1" . "CNCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1" . "CNCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1" . "YMVWDVNGNLXSKR-UHFFFAOYSA-N" . "InChI=1S/C21H25N3/c1-22-15-14-19-16-23-21(24-19)13-12-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,20,22H,12-15H2,1H3,(H,23,24)" . "NCCc1cnc[nH]1" . "NCCc1cnc[nH]1" . "NTYJJOPFIAHURM-UHFFFAOYSA-N" . "InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)" . "CN(CCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1)C" . "CN(CCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1)C" . "GNBOIGBQIBQOIA-UHFFFAOYSA-N" . "InChI=1S/C22H27N3/c1-25(2)16-15-20-17-23-22(24-20)14-13-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21H,13-16H2,1-2H3,(H,23,24)" . "O=C(CC(c1ccc(cc1)F)c1ccc(cc1)F)NC(=NCCCc1cnc[nH]1)N" . "O=C(CC(c1ccc(cc1)F)c1ccc(cc1)F)NC(=NCCCc1cnc[nH]1)N" . "BRPONMOKDIJLJF-UHFFFAOYSA-N" . "InChI=1S/C22H23F2N5O/c23-17-7-3-15(4-8-17)20(16-5-9-18(24)10-6-16)12-21(30)29-22(25)27-11-1-2-19-13-26-14-28-19/h3-10,13-14,20H,1-2,11-12H2,(H,26,28)(H3,25,27,29,30)" . "O=C(CC(c1ccccc1)c1ccccc1)NC(=NCCc1cnc[nH]1)N" . "O=C(CC(c1ccccc1)c1ccccc1)NC(=NCCc1cnc[nH]1)N" . "BCIVIRNJAROBHW-UHFFFAOYSA-N" . "InChI=1S/C21H23N5O/c22-21(24-12-11-18-14-23-15-25-18)26-20(27)13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,14-15,19H,11-13H2,(H,23,25)(H3,22,24,26,27)" . "O=C(NC(=NCCCc1cnc[nH]1)N)CSCc1nc[nH]c1C" . "O=C(NC(=NCCCc1cnc[nH]1)N)CSCc1nc[nH]c1C" . "ZOBGKPFWPWGQOI-UHFFFAOYSA-N" . "InChI=1S/C14H21N7OS/c1-10-12(20-9-18-10)6-23-7-13(22)21-14(15)17-4-2-3-11-5-16-8-19-11/h5,8-9H,2-4,6-7H2,1H3,(H,16,19)(H,18,20)(H3,15,17,21,22)" . "NC(=NCCCc1[nH]cnc1)NC(=O)CC(c1ccccn1)c1ccc(cc1)F" . "NC(=NCCCc1[nH]cnc1)NC(=O)CC(c1ccccn1)c1ccc(cc1)F" . "UTJRWVBWVPCMQL-UHFFFAOYSA-N" . "InChI=1S/C21H23FN6O/c22-16-8-6-15(7-9-16)18(19-5-1-2-10-25-19)12-20(29)28-21(23)26-11-3-4-17-13-24-14-27-17/h1-2,5-10,13-14,18H,3-4,11-12H2,(H,24,27)(H3,23,26,28,29)" . "O=C(CC(c1ccc(c(c1)F)F)c1ncc[nH]1)NC(=NCCCc1cnc[nH]1)N" . "O=C(CC(c1ccc(c(c1)F)F)c1ncc[nH]1)NC(=NCCCc1cnc[nH]1)N" . "DGJMWXIXZSWRLP-UHFFFAOYSA-N" . "InChI=1S/C19H21F2N7O/c20-15-4-3-12(8-16(15)21)14(18-24-6-7-25-18)9-17(29)28-19(22)26-5-1-2-13-10-23-11-27-13/h3-4,6-8,10-11,14H,1-2,5,9H2,(H,23,27)(H,24,25)(H3,22,26,28,29)" . "NCCc1ccccn1" . "NCCc1ccccn1" . "XPQIPUZPSLAZDV-UHFFFAOYSA-N" . "InChI=1S/C7H10N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4-5,8H2" . "NCCc1cnc([nH]1)c1cccc(c1)Cl" . "NCCc1cnc([nH]1)c1cccc(c1)Cl" . "DHGUFKPZDMQBED-UHFFFAOYSA-N" . "InChI=1S/C11H12ClN3/c12-9-3-1-2-8(6-9)11-14-7-10(15-11)4-5-13/h1-3,6-7H,4-5,13H2,(H,14,15)" . "NCCc1cnc([nH]1)c1cccc(c1)Br" . "NCCc1cnc([nH]1)c1cccc(c1)Br" . "VSKJPAMQPJDPLL-UHFFFAOYSA-N" . "InChI=1S/C11H12BrN3/c12-9-3-1-2-8(6-9)11-14-7-10(15-11)4-5-13/h1-3,6-7H,4-5,13H2,(H,14,15)" . "O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C" . "O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C" . "YASAKCUCGLMORW-UHFFFAOYSA-N" . "InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)" . "OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N)C)CCCN=C(N)N)CC(C)C)CCCNC(=O)N)Cc1ccc(cc1)O)NC(=O)C(Cc1cccnc1)NC(=O)C(Cc1ccc(cc1)Cl)NC(=O)C(Cc1ccc2c(c1)cccc2)NC(=O)C" . "OC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)N)C)CCCN=C(N)N)CC(C)C)CCCNC(=O)N)Cc1ccc(cc1)O)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(cc1)Cl)NC(=O)[C@@H](Cc1ccc2c(c1)cccc2)NC(=O)C" . "SBNPWPIBESPSIF-MHWMIDJBSA-N" . "InChI=1S/C70H92ClN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58+/m1/s1" . "OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N)C)CCCCNC(C)C)CC(C)C)CCCCNC(=O)N)Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc2c(c1)cccc2)NC(=O)C)Cc1ccc(cc1)Cl)Cc1cccnc1" . "OC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)NC(C(=O)N)C)CCCCNC(C)C)CC(C)C)CCCCNC(=O)N)Cc1ccc(cc1)O)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc2c(c1)cccc2)NC(=O)C)Cc1ccc(cc1)Cl)Cc1cccnc1" . "NOENHWMKHNSHGX-FAZSUBJTSA-N" . "InChI=1S/C74H100ClN15O14/c1-43(2)35-57(66(96)84-56(19-10-11-32-79-44(3)4)73(103)90-34-14-20-63(90)72(102)81-45(5)64(76)94)85-65(95)55(18-9-12-33-80-74(77)104)83-68(98)59(38-48-24-29-54(93)30-25-48)88-71(101)62(42-91)89-70(100)61(40-50-15-13-31-78-41-50)87-69(99)60(37-47-22-27-53(75)28-23-47)86-67(97)58(82-46(6)92)39-49-21-26-51-16-7-8-17-52(51)36-49/h7-8,13,15-17,21-31,36,41,43-45,55-63,79,91,93H,9-12,14,18-20,32-35,37-40,42H2,1-6H3,(H2,76,94)(H,81,102)(H,82,92)(H,83,98)(H,84,96)(H,85,95)(H,86,97)(H,87,99)(H,88,101)(H,89,100)(H3,77,80,104)/t45?,55-,56+,57+,58-,59+,60+,61-,62+,63-/m1/s1" . "OCC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N)C)CCCCNC(C)C)CC(C)C)CC(=O)N)Cc1ccc(cc1)O)C)NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc2c(c1)cccc2)NC(=O)C)Cc1ccc(cc1)Cl)Cc1cccnc1" . "OC[C@@H](C(=O)N([C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)N)C)CCCCNC(C)C)CC(C)C)CC(=O)N)Cc1ccc(cc1)O)C)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc2c(c1)cccc2)NC(=O)C)Cc1ccc(cc1)Cl)Cc1cccnc1" . "AIWRTTMUVOZGPW-HSPKUQOVSA-N" . "InChI=1S/C72H95ClN14O14/c1-41(2)32-54(64(93)80-53(17-10-11-30-77-42(3)4)72(101)87-31-13-18-60(87)69(98)78-43(5)63(75)92)81-68(97)58(38-62(74)91)84-70(99)61(37-46-22-27-52(90)28-23-46)86(7)71(100)59(40-88)85-67(96)57(36-48-14-12-29-76-39-48)83-66(95)56(34-45-20-25-51(73)26-21-45)82-65(94)55(79-44(6)89)35-47-19-24-49-15-8-9-16-50(49)33-47/h8-9,12,14-16,19-29,33,39,41-43,53-61,77,88,90H,10-11,13,17-18,30-32,34-38,40H2,1-7H3,(H2,74,91)(H2,75,92)(H,78,98)(H,79,89)(H,80,93)(H,81,97)(H,82,94)(H,83,95)(H,84,99)(H,85,96)/t43-,53+,54+,55-,56-,57-,58-,59+,60+,61+/m1/s1" . "COc1cccc(c1F)c1c(=O)n(CC(c2ccccc2)N)c(=O)n(c1C)Cc1c(F)cccc1F" . "COc1cccc(c1F)c1c(=O)n(C[C@@H](c2ccccc2)N)c(=O)n(c1C)Cc1c(F)cccc1F" . "CJUWBZDJMYYRDG-QFIPXVFZSA-N" . "InChI=1S/C27H24F3N3O3/c1-16-24(18-10-6-13-23(36-2)25(18)30)26(34)33(15-22(31)17-8-4-3-5-9-17)27(35)32(16)14-19-20(28)11-7-12-21(19)29/h3-13,22H,14-15,31H2,1-2H3/t22-/m0/s1" . "OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N)C)CCCN=C(N)N)CC(C)C)CCCNC(=O)N)Cc1ccc(cc1)O)NC(=O)C(Cc1cccnc1)NC(=O)C(Cc1ccc(cc1)I)NC(=O)C(Cc1ccc2c(c1)cccc2)NC(=O)C" . "OC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)N)C)CCCN=C(N)N)CC(C)C)CCCNC(=O)N)Cc1ccc(cc1)O)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(cc1)[125I])NC(=O)[C@@H](Cc1ccc2c(c1)cccc2)NC(=O)C" . "MVDPNTCYCFVFOX-SZENRQNHSA-N" . "InChI=1S/C70H92IN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58+/m1/s1/i71-2" . "NCC(c1ccc(cc1)Cl)(CS(=O)(=O)O)O" . "NCC(c1ccc(cc1)Cl)(CS(=O)(=O)O)O" . "WBSMZVIMANOCNX-UHFFFAOYSA-N" . "InChI=1S/C9H12ClNO4S/c10-8-3-1-7(2-4-8)9(12,5-11)6-16(13,14)15/h1-4,12H,5-6,11H2,(H,13,14,15)" . "CONC(=O)Nc1ccc(cc1)c1sc2c(c1CN(Cc1ccccc1)C)c(=O)n(c(=O)n2Cc1c(F)cccc1F)c1ccccc1" . "CONC(=O)Nc1ccc(cc1)c1sc2c(c1CN(Cc1ccccc1)C)c(=O)n(c(=O)n2Cc1c(F)cccc1F)c1ccccc1" . "UCQSBGOFELXYIN-UHFFFAOYSA-N" . "InChI=1S/C36H31F2N5O4S/c1-41(20-23-10-5-3-6-11-23)21-28-31-33(44)43(26-12-7-4-8-13-26)36(46)42(22-27-29(37)14-9-15-30(27)38)34(31)48-32(28)24-16-18-25(19-17-24)39-35(45)40-47-2/h3-19H,20-22H2,1-2H3,(H2,39,40,45)" . "CC(OC(=O)c1cn(Cc2c(F)cccc2F)c2c(c1=O)c(CN(Cc1ccccc1)C)c(s2)c1ccc(cc1)NC(=O)C(C)C)C" . "CC(OC(=O)c1cn(Cc2c(F)cccc2F)c2c(c1=O)c(CN(Cc1ccccc1)C)c(s2)c1ccc(cc1)NC(=O)C(C)C)C" . "RANJJVIMTOIWIN-UHFFFAOYSA-N" . "InChI=1S/C37H37F2N3O4S/c1-22(2)35(44)40-26-16-14-25(15-17-26)34-28(19-41(5)18-24-10-7-6-8-11-24)32-33(43)29(37(45)46-23(3)4)21-42(36(32)47-34)20-27-30(38)12-9-13-31(27)39/h6-17,21-23H,18-20H2,1-5H3,(H,40,44)" . "COc1nc(OC)c(c(n1)OC)NC(=O)c1ccc(o1)Oc1cc2c(cc1C)C(C)(C)C(CC2(C)C)C" . "COc1nc(OC)c(c(n1)OC)NC(=O)c1ccc(o1)Oc1cc2c(cc1C)C(C)(C)C(CC2(C)C)C" . "JTFNDUMPCFHPFC-UHFFFAOYSA-N" . "InChI=1S/C28H35N3O6/c1-15-12-18-17(27(3,4)14-16(2)28(18,5)6)13-20(15)37-21-11-10-19(36-21)23(32)29-22-24(33-7)30-26(35-9)31-25(22)34-8/h10-13,16H,14H2,1-9H3,(H,29,32)" . "COc1cc(OC)c(c(c1)OC)NC(=O)c1ccc(o1)Cc1cc2c(cc1C)C(C)(C)CCC2(C)C" . "COc1cc(OC)c(c(c1)OC)NC(=O)c1ccc(o1)Cc1cc2c(cc1C)C(C)(C)CCC2(C)C" . "IPEMCIBPDYCJLO-UHFFFAOYSA-N" . "InChI=1S/C30H37NO5/c1-18-13-22-23(30(4,5)12-11-29(22,2)3)15-19(18)14-20-9-10-24(36-20)28(32)31-27-25(34-7)16-21(33-6)17-26(27)35-8/h9-10,13,15-17H,11-12,14H2,1-8H3,(H,31,32)" . "COc1cccc(c1F)c1c(=O)n(CC(c2ccccc2)N)c(=O)n(c1C)Cc1c(F)cccc1F" . "COc1cccc(c1F)c1c(=O)n(C[C@@H](c2ccccc2)N)c(=O)n(c1C)Cc1c(F)cccc1F" . "CJUWBZDJMYYRDG-QFIPXVFZSA-N" . "InChI=1S/C27H24F3N3O3/c1-16-24(18-10-6-13-23(36-2)25(18)30)26(34)33(15-22(31)17-8-4-3-5-9-17)27(35)32(16)14-19-20(28)11-7-12-21(19)29/h3-13,22H,14-15,31H2,1-2H3/t22-/m0/s1" . "OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)N)CCCNC(=N)N)CC(C)C)Cc1c[nH]c2c1cccc2)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCC(=O)N1)Cc1nc[nH]c1" . "OC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)CCCNC(=N)N)CC(C)C)Cc1c[nH]c2c1cccc2)Cc1ccc(cc1)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)Cc1nc[nH]c1" . "VXKHXGOKWPXYNA-PGBVPBMZSA-N" . "InChI=1S/C64H82N18O13/c1-34(2)23-46(56(88)75-45(13-7-21-69-64(66)67)63(95)82-22-8-14-52(82)62(94)72-31-53(65)85)76-58(90)48(25-36-28-70-42-11-5-3-9-40(36)42)78-57(89)47(24-35-15-17-39(84)18-16-35)77-61(93)51(32-83)81-59(91)49(26-37-29-71-43-12-6-4-10-41(37)43)79-60(92)50(27-38-30-68-33-73-38)80-55(87)44-19-20-54(86)74-44/h3-6,9-12,15-18,28-30,33-34,44-52,70-71,83-84H,7-8,13-14,19-27,31-32H2,1-2H3,(H2,65,85)(H,68,73)(H,72,94)(H,74,86)(H,75,88)(H,76,90)(H,77,93)(H,78,89)(H,79,92)(H,80,87)(H,81,91)(H4,66,67,69)/t44-,45-,46-,47-,48+,49-,50-,51-,52-/m0/s1" . "CCNC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1)CO)CC(C)C)CC(C)C)CCCN=C(N)N" . "CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)CO)CC(C)C)CC(C)C)CCCN=C(N)N" . "GFIJNRVAKGFPGQ-LIJARHBVSA-N" . "InChI=1S/C59H84N16O12/c1-6-63-57(86)48-14-10-22-75(48)58(87)41(13-9-21-64-59(60)61)68-51(80)42(23-32(2)3)69-52(81)43(24-33(4)5)70-53(82)44(25-34-15-17-37(77)18-16-34)71-56(85)47(30-76)74-54(83)45(26-35-28-65-39-12-8-7-11-38(35)39)72-55(84)46(27-36-29-62-31-66-36)73-50(79)40-19-20-49(78)67-40/h7-8,11-12,15-18,28-29,31-33,40-48,65,76-77H,6,9-10,13-14,19-27,30H2,1-5H3,(H,62,66)(H,63,86)(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,79)(H,74,83)(H4,60,61,64)/t40-,41-,42-,43+,44-,45-,46-,47-,48-/m0/s1" . "OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)N)Cc1c[nH]c2c1cccc2)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCC(=O)N1)Cc1nc[nH]c1 " . "CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O" . "FGYRDPPFECJWPK-XJIZABAQSA-N" . "InChI=1S/C60H73N15O13/c1-32(2)20-43(55(83)73-47(23-35-26-64-41-11-6-4-9-39(35)41)60(88)75-19-7-12-49(75)59(87)65-28-50(61)78)69-52(80)29-66-53(81)44(21-33-13-15-37(77)16-14-33)70-58(86)48(30-76)74-56(84)45(22-34-25-63-40-10-5-3-8-38(34)40)71-57(85)46(24-36-27-62-31-67-36)72-54(82)42-17-18-51(79)68-42/h3-6,8-11,13-16,25-27,31-32,42-49,63-64,76-77H,7,12,17-24,28-30H2,1-2H3,(H2,61,78)(H,62,67)(H,65,87)(H,66,81)(H,68,79)(H,69,80)(H,70,86)(H,71,85)(H,72,82)(H,73,83)(H,74,84)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1" . "NCCCC(=O)O" . "NCCCC(=O)O" . "BTCSSZJGUNDROE-UHFFFAOYSA-N" . "InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)" . "CCCCCCCCCCCCCCCC(=O)NC(C(=O)O)CCC(=O)NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)O)CCCNC(=N)N)CCCNC(=N)N)C(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)C)C(CC)C)Cc1ccccc1)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1[nH]cnc1)N)C)CCC(=O)O)Cc1ccccc1)CO)CC(=O)O)CO)CO)Cc1ccc(cc1)O)CC(C)C)CCC(=O)O)CCC(=O)N)C)C" . "CCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)O)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)O)CCCNC(=N)N)CCCNC(=N)N)C(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)C)[C@H](CC)C)Cc1ccccc1)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1[nH]cnc1)N)C)CCC(=O)O)Cc1ccccc1)CO)CC(=O)O)CO)CO)Cc1ccc(cc1)O)CC(C)C)CCC(=O)O)CCC(=O)N)C)C" . "YSDQQAXHVYUZIW-QCIJIYAXSA-N" . "InChI=1S/C172H265N43O51/c1-18-20-21-22-23-24-25-26-27-28-29-30-37-53-129(224)195-116(170(265)266)59-64-128(223)180-68-41-40-50-111(153(248)199-115(62-67-135(232)233)154(249)204-120(73-100-44-33-31-34-45-100)159(254)214-140(93(11)19-2)167(262)192-97(15)146(241)201-122(76-103-79-183-108-49-39-38-48-106(103)108)157(252)203-118(72-90(5)6)158(253)212-138(91(7)8)165(260)200-110(52-43-70-182-172(177)178)149(244)184-81-130(225)193-109(51-42-69-181-171(175)176)148(243)187-84-137(236)237)196-144(239)95(13)189-143(238)94(12)191-152(247)114(58-63-127(174)222)194-131(226)82-185-151(246)113(61-66-134(230)231)198-155(250)117(71-89(3)4)202-156(251)119(75-102-54-56-105(221)57-55-102)205-162(257)124(85-216)208-164(259)126(87-218)209-166(261)139(92(9)10)213-161(256)123(78-136(234)235)206-163(258)125(86-217)210-169(264)142(99(17)220)215-160(255)121(74-101-46-35-32-36-47-101)207-168(263)141(98(16)219)211-132(227)83-186-150(245)112(60-65-133(228)229)197-145(240)96(14)190-147(242)107(173)77-104-80-179-88-188-104/h31-36,38-39,44-49,54-57,79-80,88-99,107,109-126,138-142,183,216-221H,18-30,37,40-43,50-53,58-78,81-87,173H2,1-17H3,(H2,174,222)(H,179,188)(H,180,223)(H,184,244)(H,185,246)(H,186,245)(H,187,243)(H,189,238)(H,190,242)(H,191,247)(H,192,262)(H,193,225)(H,194,226)(H,195,224)(H,196,239)(H,197,240)(H,198,250)(H,199,248)(H,200,260)(H,201,241)(H,202,251)(H,203,252)(H,204,249)(H,205,257)(H,206,258)(H,207,263)(H,208,259)(H,209,261)(H,210,264)(H,211,227)(H,212,253)(H,213,256)(H,214,254)(H,215,255)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H,236,237)(H,265,266)(H4,175,176,181)(H4,177,178,182)/t93-,94-,95-,96-,97-,98+,99+,107-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,138-,139-,140-,141-,142-/m0/s1" . "OC(=O)CC(CCCCCCCCCCC(CC(=O)O)(C)C)(C)C" . "OC(=O)CC(CCCCCCCCCCC(CC(=O)O)(C)C)(C)C" . "HYSMCRNFENOHJH-UHFFFAOYSA-N" . "InChI=1S/C20H38O4/c1-19(2,15-17(21)22)13-11-9-7-5-6-8-10-12-14-20(3,4)16-18(23)24/h5-16H2,1-4H3,(H,21,22)(H,23,24)" . "[N-]=[N+]=Nc1cc(O)c(cc1I)C(=O)NCCCCCP(=O)(CC(CNC(c1cccc(c1)C(=O)O)C)O)O" . "[N-]=[N+]=Nc1cc(O)c(cc1[125I])C(=O)NCCCCCP(=O)(C[C@H](CN[C@@H](c1cccc(c1)C(=O)O)C)O)O" . "IHFUJPDKHJTHGQ-DQPKGEOYSA-N" . "InChI=1S/C24H31IN5O7P/c1-15(16-6-5-7-17(10-16)24(34)35)28-13-18(31)14-38(36,37)9-4-2-3-8-27-23(33)19-11-20(25)21(29-30-26)12-22(19)32/h5-7,10-12,15,18,28,31-32H,2-4,8-9,13-14H2,1H3,(H,27,33)(H,34,35)(H,36,37)/t15-,18+/m1/s1/i25-2" . "OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)N)CO)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCC(=O)N1)Cc1nc[nH]c1 " . "CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O" . "PPHTYZVEJKXMNS-PVEGFDORSA-N" . "InChI=1S/C52H68N14O14/c1-27(2)16-35(47(75)65-40(25-68)52(80)66-15-5-8-41(66)51(79)56-22-42(53)70)60-44(72)23-57-45(73)36(17-28-9-11-31(69)12-10-28)61-50(78)39(24-67)64-48(76)37(18-29-20-55-33-7-4-3-6-32(29)33)62-49(77)38(19-30-21-54-26-58-30)63-46(74)34-13-14-43(71)59-34/h3-4,6-7,9-12,20-21,26-27,34-41,55,67-69H,5,8,13-19,22-25H2,1-2H3,(H2,53,70)(H,54,58)(H,56,79)(H,57,73)(H,59,71)(H,60,72)(H,61,78)(H,62,77)(H,63,74)(H,64,76)(H,65,75)/t34-,35-,36-,37-,38-,39-,40-,41-/m0/s1" . "OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)N)CCC(=O)N)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCC(=O)N1)Cc1nc[nH]c1 " . "CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O" . "WPKQYFUSPONRAT-BXXNOCLASA-N" . "InChI=1S/C54H71N15O14/c1-28(2)18-37(49(78)64-36(13-15-43(55)72)54(83)69-17-5-8-42(69)53(82)59-24-44(56)73)63-46(75)25-60-47(76)38(19-29-9-11-32(71)12-10-29)65-52(81)41(26-70)68-50(79)39(20-30-22-58-34-7-4-3-6-33(30)34)66-51(80)40(21-31-23-57-27-61-31)67-48(77)35-14-16-45(74)62-35/h3-4,6-7,9-12,22-23,27-28,35-42,58,70-71H,5,8,13-21,24-26H2,1-2H3,(H2,55,72)(H2,56,73)(H,57,61)(H,59,82)(H,60,76)(H,62,74)(H,63,75)(H,64,78)(H,65,81)(H,66,80)(H,67,77)(H,68,79)/t35-,36-,37-,38-,39-,40-,41-,42-/m0/s1" . "OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)N)CC(C)C)Cc1c[nH]c2c1cccc2)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCC(=O)N1)Cc1[nH]cnc1" . "OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)N)CC(C)C)Cc1c[nH]c2c1cccc2)Cc1ccc(cc1)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCC(=O)N1)Cc1[nH]cnc1" . "NMJREATYWWNIKX-UHFFFAOYSA-N" . "InChI=1S/C60H73N15O13/c1-32(2)20-47(60(88)75-19-7-12-49(75)59(87)65-28-50(61)78)73-55(83)44(22-34-25-63-40-10-5-3-8-38(34)40)69-52(80)29-66-53(81)43(21-33-13-15-37(77)16-14-33)70-58(86)48(30-76)74-56(84)45(23-35-26-64-41-11-6-4-9-39(35)41)71-57(85)46(24-36-27-62-31-67-36)72-54(82)42-17-18-51(79)68-42/h3-6,8-11,13-16,25-27,31-32,42-49,63-64,76-77H,7,12,17-24,28-30H2,1-2H3,(H2,61,78)(H,62,67)(H,65,87)(H,66,81)(H,68,79)(H,69,80)(H,70,86)(H,71,85)(H,72,82)(H,73,83)(H,74,84)" . "OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)C(C)C)CC(C)C)CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=N)N)CCC(=O)N)CC(C)C)CCCNC(=N)N)C)CO)CC(=O)O)CCCNC(=N)N)CC(C)C)CCCNC(=N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1[nH]ccn1)N)CO)CC(=O)O)Cc1ccccc1)CO)CCC(=O)O)CC(C)C" . "OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)C(C)C)CC(C)C)CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=N)N)CCC(=O)N)CC(C)C)CCCNC(=N)N)C)CO)CC(=O)O)CCCNC(=N)N)CC(C)C)CCCNC(=N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1[nH]ccn1)N)CO)CC(=O)O)Cc1ccccc1)CO)CCC(=O)O)CC(C)C" . "KKNIUBFRGPFELP-UHFFFAOYSA-N" . "InChI=1S/C130H219N43O42/c1-59(2)43-78(118(206)172-99(65(13)14)126(214)215)151-94(182)53-148-104(192)75(31-34-91(132)180)156-113(201)81(46-62(7)8)163-115(203)82(47-63(9)10)161-107(195)72(28-22-38-145-128(136)137)153-110(198)76(32-35-92(133)181)157-114(202)80(45-61(5)6)159-106(194)71(27-21-37-144-127(134)135)152-102(190)66(15)150-120(208)87(55-174)168-117(205)86(52-98(188)189)165-109(197)73(29-23-39-146-129(138)139)154-112(200)79(44-60(3)4)160-108(196)74(30-24-40-147-130(140)141)155-121(209)89(57-176)169-116(204)83(48-64(11)12)162-111(199)77(33-36-96(184)185)158-122(210)90(58-177)170-125(213)101(68(17)179)173-119(207)84(49-69-25-19-18-20-26-69)166-124(212)100(67(16)178)171-95(183)54-149-105(193)85(51-97(186)187)164-123(211)88(56-175)167-103(191)70(131)50-93-142-41-42-143-93/h18-20,25-26,41-42,59-68,70-90,99-101,174-179H,21-24,27-40,43-58,131H2,1-17H3,(H2,132,180)(H2,133,181)(H,142,143)(H,148,192)(H,149,193)(H,150,208)(H,151,182)(H,152,190)(H,153,198)(H,154,200)(H,155,209)(H,156,201)(H,157,202)(H,158,210)(H,159,194)(H,160,196)(H,161,195)(H,162,199)(H,163,203)(H,164,211)(H,165,197)(H,166,212)(H,167,191)(H,168,205)(H,169,204)(H,170,213)(H,171,183)(H,172,206)(H,173,207)(H,184,185)(H,186,187)(H,188,189)(H,214,215)(H4,134,135,144)(H4,136,137,145)(H4,138,139,146)(H4,140,141,147)" . "NCCCP(=O)(C(F)F)O" . "NCCCP(=O)(C(F)F)O" . "TXAHGWWWANKBDA-UHFFFAOYSA-N" . "InChI=1S/C4H10F2NO2P/c5-4(6)10(8,9)3-1-2-7/h4H,1-3,7H2,(H,8,9)" . "OCC1OC(C(C1OP(=O)(OP(=O)(OCC1OC(C(C1O)O)n1cnc2c1ncnc2N)O)O)O)n1cnc2c1ncnc2N" . "OC[C@H]1O[C@@H]([C@@H]([C@@H]1OP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O)O)n1cnc2c1ncnc2N" . "FHISWBUCBBVWGG-SNESVTBZSA-N" . "InChI=1S/C20H26N10O13P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(33)11(32)8(41-19)2-39-44(35,36)43-45(37,38)42-14-7(1-31)40-20(13(14)34)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20+/m1/s1" . "CCCCCC=CCC=CCCCCCCCC(=O)O" . "CCCCC/C=C/C/C=C/CCCCCCCC(=O)O" . "OYHQOLUKZRVURQ-HZJYTTRNSA-N" . "InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-" . "OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N)C(C)C)CC(C)C)CCC(=O)N)CC(C)C)CC(C)C)CCCN=C(N)N)CCC(=O)N)CC(C)C)CCCN=C(N)N)C)CO)CC(=O)O)CCCN=C(N)N)CC(C)C)CCCN=C(N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1nc[nH]c1)N)CO)CC(=O)O)Cc1ccccc1)CO)CCC(=O)O)CC(C)C " . "CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](C(N)=O)C(C)C" . "JWQZOTGHUDZFMU-WIDFLDSMSA-N" . "InChI=1S/C130H220N44O41/c1-59(2)41-79(119(208)173-99(65(13)14)102(134)191)152-94(183)52-148-105(194)76(31-34-92(132)181)157-114(203)82(44-62(7)8)164-116(205)83(45-63(9)10)162-108(197)73(28-22-38-145-128(137)138)154-111(200)77(32-35-93(133)182)158-115(204)81(43-61(5)6)160-107(196)72(27-21-37-144-127(135)136)153-103(192)66(15)151-121(210)88(54-175)169-118(207)87(50-98(189)190)166-110(199)74(29-23-39-146-129(139)140)155-113(202)80(42-60(3)4)161-109(198)75(30-24-40-147-130(141)142)156-122(211)90(56-177)170-117(206)84(46-64(11)12)163-112(201)78(33-36-96(185)186)159-123(212)91(57-178)171-126(215)101(68(17)180)174-120(209)85(47-69-25-19-18-20-26-69)167-125(214)100(67(16)179)172-95(184)53-149-106(195)86(49-97(187)188)165-124(213)89(55-176)168-104(193)71(131)48-70-51-143-58-150-70/h18-20,25-26,51,58-68,71-91,99-101,175-180H,21-24,27-50,52-57,131H2,1-17H3,(H2,132,181)(H2,133,182)(H2,134,191)(H,143,150)(H,148,194)(H,149,195)(H,151,210)(H,152,183)(H,153,192)(H,154,200)(H,155,202)(H,156,211)(H,157,203)(H,158,204)(H,159,212)(H,160,196)(H,161,198)(H,162,197)(H,163,201)(H,164,205)(H,165,213)(H,166,199)(H,167,214)(H,168,193)(H,169,207)(H,170,206)(H,171,215)(H,172,184)(H,173,208)(H,174,209)(H,185,186)(H,187,188)(H,189,190)(H4,135,136,144)(H4,137,138,145)(H4,139,140,146)(H4,141,142,147)/t66-,67+,68+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,99-,100-,101-/m0/s1" . "OC(CP(=O)(Cc1ccccc1)O)CNC(c1ccc(c(c1)Cl)Cl)C" . "O[C@H](CP(=O)(Cc1ccccc1)O)CN[C@H](c1ccc(c(c1)Cl)Cl)C" . "ZODSPDOOCZZEIM-BBRMVZONSA-N" . "InChI=1S/C18H22Cl2NO3P/c1-13(15-7-8-17(19)18(20)9-15)21-10-16(22)12-25(23,24)11-14-5-3-2-4-6-14/h2-9,13,16,21-22H,10-12H2,1H3,(H,23,24)/t13-,16-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(=O)N)CC(C)C)C(CC)C)CO)CC(=O)N)CC(C)C)Cc1ccc(cc1)O)CCCCN)CCCCN)C(C)C)C)CCSC)CCC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1nc[nH]c1)N)CO)CC(=O)O)C)Cc1ccccc1)CC(=O)O)CC(=O)N)Cc1ccc(cc1)O)CCCNC(=N)N)CC(C)C)CCCNC(=N)N" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(=O)N)CC(C)C)C(CC)C)CO)CC(=O)N)CC(C)C)Cc1ccc(cc1)O)CCCCN)CCCCN)C(C)C)C)CCSC)CCC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1nc[nH]c1)N)CO)CC(=O)O)C)Cc1ccccc1)CC(=O)O)CC(=O)N)Cc1ccc(cc1)O)CCCNC(=N)N)CC(C)C)CCCNC(=N)N" . "VBUWHHLIZKOSMS-UHFFFAOYSA-N" . "InChI=1S/C147H237N43O43S/c1-18-75(12)115(142(229)180-96(56-72(6)7)131(218)183-104(145(232)233)63-110(155)200)188-139(226)106(68-192)185-134(221)101(62-109(154)199)177-130(217)95(55-71(4)5)174-132(219)97(58-81-37-41-84(195)42-38-81)175-125(212)88(33-23-26-49-149)167-123(210)89(34-24-27-50-150)171-140(227)113(73(8)9)186-118(205)76(13)164-121(208)93(47-53-234-17)170-127(214)92(45-46-107(152)197)169-122(209)87(32-22-25-48-148)166-124(211)90(35-28-51-161-146(156)157)168-129(216)94(54-70(2)3)173-126(213)91(36-29-52-162-147(158)159)172-143(230)116(78(15)193)189-136(223)98(59-82-39-43-85(196)44-40-82)176-133(220)100(61-108(153)198)178-135(222)103(65-112(203)204)182-144(231)117(79(16)194)190-137(224)99(57-80-30-20-19-21-31-80)181-141(228)114(74(10)11)187-119(206)77(14)165-128(215)102(64-111(201)202)179-138(225)105(67-191)184-120(207)86(151)60-83-66-160-69-163-83/h19-21,30-31,37-44,66,69-79,86-106,113-117,191-196H,18,22-29,32-36,45-65,67-68,148-151H2,1-17H3,(H2,152,197)(H2,153,198)(H2,154,199)(H2,155,200)(H,160,163)(H,164,208)(H,165,215)(H,166,211)(H,167,210)(H,168,216)(H,169,209)(H,170,214)(H,171,227)(H,172,230)(H,173,213)(H,174,219)(H,175,212)(H,176,220)(H,177,217)(H,178,222)(H,179,225)(H,180,229)(H,181,228)(H,182,231)(H,183,218)(H,184,207)(H,185,221)(H,186,205)(H,187,206)(H,188,226)(H,189,223)(H,190,224)(H,201,202)(H,203,204)(H,232,233)(H4,156,157,161)(H4,158,159,162)" . "CCC(C(=O)Nc1sc2c(c1C#N)CCC(C2)C(CC)(C)C)CC" . "CCC(C(=O)Nc1sc2c(c1C#N)CCC(C2)C(CC)(C)C)CC" . "SWIBDWBSJSJQHL-UHFFFAOYSA-N" . "InChI=1S/C20H30N2OS/c1-6-13(7-2)18(23)22-19-16(12-21)15-10-9-14(11-17(15)24-19)20(4,5)8-3/h13-14H,6-11H2,1-5H3,(H,22,23)" . "OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)Cc1ccccc1)C(O)C)CCC(=O)N)NC(=O)C(Cc1[nH]cnc1)N" . "OC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)[C@H](O)C)CCC(=O)N)NC(=O)[C@H](Cc1[nH]cnc1)N" . "VDWWLJRQDNTHJB-MXAMYCJDSA-N" . "InChI=1S/C29H41N9O10/c1-15(40)24(28(46)36-20(29(47)48)9-16-5-3-2-4-6-16)38-23(42)12-33-26(44)19(7-8-22(31)41)35-27(45)21(13-39)37-25(43)18(30)10-17-11-32-14-34-17/h2-6,11,14-15,18-21,24,39-40H,7-10,12-13,30H2,1H3,(H2,31,41)(H,32,34)(H,33,44)(H,35,45)(H,36,46)(H,37,43)(H,38,42)(H,47,48)/t15-,18+,19+,20+,21+,24+/m1/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(=O)O)CCC(=O)N)C)CCCN=C(N)N)CCCN=C(N)N)CO)CC(=O)O)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1nc[nH]c1)N)CO)CCC(=O)N)Cc1ccccc1)CO)CC(=O)O)Cc1ccc(cc1)O)CO " . "CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O" . "HTKQXZVWMVGUHF-XCHZYIBMSA-N" . "InChI=1S/C104H156N32O38/c1-48(2)33-64(90(161)127-69(39-79(150)151)94(165)133-73(45-139)98(169)122-61(17-12-32-115-104(111)112)87(158)120-60(16-11-31-114-103(109)110)86(157)118-49(3)83(154)119-63(27-29-76(108)146)89(160)130-70(102(173)174)40-80(152)153)124-91(162)65(35-53-18-22-56(143)23-19-53)125-88(159)59(15-9-10-30-105)121-97(168)72(44-138)132-92(163)66(36-54-20-24-57(144)25-21-54)126-93(164)68(38-78(148)149)128-99(170)74(46-140)134-101(172)82(51(5)142)136-95(166)67(34-52-13-7-6-8-14-52)129-100(171)81(50(4)141)135-77(147)42-116-85(156)62(26-28-75(107)145)123-96(167)71(43-137)131-84(155)58(106)37-55-41-113-47-117-55/h6-8,13-14,18-25,41,47-51,58-74,81-82,137-144H,9-12,15-17,26-40,42-46,105-106H2,1-5H3,(H2,107,145)(H2,108,146)(H,113,117)(H,116,156)(H,118,157)(H,119,154)(H,120,158)(H,121,168)(H,122,169)(H,123,167)(H,124,162)(H,125,159)(H,126,164)(H,127,161)(H,128,170)(H,129,171)(H,130,160)(H,131,155)(H,132,163)(H,133,165)(H,134,172)(H,135,147)(H,136,166)(H,148,149)(H,150,151)(H,152,153)(H,173,174)(H4,109,110,114)(H4,111,112,115)/t49-,50+,51+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,81-,82-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)CC(=O)O)C(O)C)C(CC)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1nc[nH]c1)N)C)CC(=O)O)CO)Cc1ccccc1)CO)CC(=O)O)CCC(=O)O)CCSC)CC(=O)N)CC(C)C)CC(=O)O)CC(=O)N)CC(C)C)C)C)CCCN=C(N)N)CC(=O)O)Cc1ccccc1)CC(=O)N)CC(C)C)CCC(=O)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC" . "QUAPABCMPINESI-FSOLLKKFSA-N" . "InChI=1S/C174H263N45O57S/c1-22-82(11)134(166(268)196-103(49-51-123(177)226)150(252)217-138(89(18)222)170(272)195-101(43-34-35-54-175)149(251)213-137(85(14)25-4)169(271)219-139(90(19)223)171(273)210-119(72-133(241)242)160(262)211-120(173(275)276)62-94-45-47-97(225)48-46-94)214-161(263)108(59-81(9)10)199-154(256)111(63-95-73-185-100-42-33-32-41-98(95)100)202-156(258)113(66-125(179)228)209-167(269)135(83(12)23-2)215-162(264)110(61-93-39-30-27-31-40-93)200-158(260)117(70-131(237)238)205-146(248)102(44-36-55-184-174(181)182)192-142(244)87(16)188-141(243)86(15)190-151(253)106(57-79(5)6)198-155(257)112(65-124(178)227)204-159(261)118(71-132(239)240)206-152(254)107(58-80(7)8)208-168(270)136(84(13)24-3)216-172(274)140(91(20)224)218-163(265)114(67-126(180)229)203-148(250)105(53-56-277-21)194-147(249)104(50-52-128(231)232)193-157(259)116(69-130(235)236)207-165(267)122(77-221)212-153(255)109(60-92-37-28-26-29-38-92)201-164(266)121(76-220)191-127(230)75-186-145(247)115(68-129(233)234)197-143(245)88(17)189-144(246)99(176)64-96-74-183-78-187-96/h26-33,37-42,45-48,73-74,78-91,99,101-122,134-140,185,220-225H,22-25,34-36,43-44,49-72,75-77,175-176H2,1-21H3,(H2,177,226)(H2,178,227)(H2,179,228)(H2,180,229)(H,183,187)(H,186,247)(H,188,243)(H,189,246)(H,190,253)(H,191,230)(H,192,244)(H,193,259)(H,194,249)(H,195,272)(H,196,268)(H,197,245)(H,198,257)(H,199,256)(H,200,260)(H,201,266)(H,202,258)(H,203,250)(H,204,261)(H,205,248)(H,206,254)(H,207,267)(H,208,270)(H,209,269)(H,210,273)(H,211,262)(H,212,255)(H,213,251)(H,214,263)(H,215,264)(H,216,274)(H,217,252)(H,218,265)(H,219,271)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H,241,242)(H,275,276)(H4,181,182,184)/t82-,83-,84-,85-,86-,87-,88-,89+,90+,91+,99-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,134-,135-,136-,137-,138-,139-,140-/m0/s1" . "NCC(c1ccc(cc1)Cl)CC(=O)O" . "NC[C@@H](c1ccc(cc1)Cl)CC(=O)O" . "KPYSYYIEGFHWSV-QMMMGPOBSA-N" . "InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1" . "CCC(=O)O" . "CCC(=O)O" . "XBDQKXXYIPTUBI-UHFFFAOYSA-N" . "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" . "CCCCC(=O)O" . "CCCCC(=O)O" . "NQPDZGIKBAWPEJ-UHFFFAOYSA-N" . "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)" . "CC(C(=O)O)C" . "CC(C(=O)O)C" . "KQNPFQTWMSNSAP-UHFFFAOYSA-N" . "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(=O)O)C(O)C)C(CC)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(CC(=O)O)N)CO)Cc1ccccc1)CO)CC(=O)O)CCC(=O)O)CCSC)CC(=O)N)CC(C)C)CC(=O)O)CC(=O)N)CC(C)C)C)CCCN=C(N)N)CC(=O)O)Cc1ccccc1)CC(=O)N)CC(C)C)CCC(=O)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC" . "JHPPUNFVXZAAKU-YNDCLQMTSA-N" . "InChI=1S/C157H244N40O54S/c1-21-73(11)119(148(242)175-90(44-46-108(160)204)133(227)195-124(79(17)201)153(247)173-88(42-33-34-49-158)132(226)190-122(76(14)24-4)151(245)197-125(80(18)202)154(248)188-105(156(250)251)65-118(219)220)191-143(237)95(54-72(9)10)177-137(231)98(57-84-66-167-87-41-32-31-40-85(84)87)180-139(233)100(60-110(162)206)187-149(243)120(74(12)22-2)192-144(238)97(56-83-38-29-26-30-39-83)178-141(235)103(63-116(215)216)183-129(223)89(43-35-50-166-157(164)165)174-152(246)123(78(16)200)194-127(221)77(15)169-134(228)93(52-70(5)6)176-138(232)99(59-109(161)205)182-142(236)104(64-117(217)218)184-135(229)94(53-71(7)8)186-150(244)121(75(13)23-3)193-155(249)126(81(19)203)196-145(239)101(61-111(163)207)181-131(225)92(48-51-252-20)172-130(224)91(45-47-113(209)210)171-140(234)102(62-115(213)214)185-147(241)107(69-199)189-136(230)96(55-82-36-27-25-28-37-82)179-146(240)106(68-198)170-112(208)67-168-128(222)86(159)58-114(211)212/h25-32,36-41,66,70-81,86,88-107,119-126,167,198-203H,21-24,33-35,42-65,67-69,158-159H2,1-20H3,(H2,160,204)(H2,161,205)(H2,162,206)(H2,163,207)(H,168,222)(H,169,228)(H,170,208)(H,171,234)(H,172,224)(H,173,247)(H,174,246)(H,175,242)(H,176,232)(H,177,231)(H,178,235)(H,179,240)(H,180,233)(H,181,225)(H,182,236)(H,183,223)(H,184,229)(H,185,241)(H,186,244)(H,187,243)(H,188,248)(H,189,230)(H,190,226)(H,191,237)(H,192,238)(H,193,249)(H,194,221)(H,195,227)(H,196,239)(H,197,245)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H,219,220)(H,250,251)(H4,164,165,166)/t73-,74-,75-,76-,77-,78+,79+,80+,81+,86-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,119-,120-,121-,122-,123-,124-,125-,126-/m0/s1" . "NCCCP(=O)(CC1CCCCC1)O" . "NCCCP(=O)(CC1CCCCC1)O" . "XOESDNIUAWGCLU-UHFFFAOYSA-N" . "InChI=1S/C10H22NO2P/c11-7-4-8-14(12,13)9-10-5-2-1-3-6-10/h10H,1-9,11H2,(H,12,13)" . "CCCCP(=O)(CCCN)O" . "CCCCP(=O)(CCCN)O" . "ONNMDRQRSGKZCN-UHFFFAOYSA-N" . "InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)" . "NCC(c1ccc(cc1)Cl)CC(=O)O" . "NCC(c1ccc(cc1)Cl)CC(=O)O" . "KPYSYYIEGFHWSV-UHFFFAOYSA-N" . "InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)" . "CP(=O)(CC(CN)O)O" . "CP(=O)(C[C@@H](CN)O)O" . "FUUPFUIGNBPCAY-SCSAIBSYSA-N" . "InChI=1S/C4H12NO3P/c1-9(7,8)3-4(6)2-5/h4,6H,2-3,5H2,1H3,(H,7,8)/t4-/m1/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(=O)O)C(O)C)C(CC)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(CC(=O)O)N)CO)Cc1ccccc1)CO)CC(=O)O)CCC(=O)O)CCSC)CC(=O)N)CC(C)C)CC(=O)O)CC(=O)N)CC(C)C)C)C)CCCN=C(N)N)CC(=O)O)Cc1ccccc1)CC(=O)N)CC(C)C)CCC(=O)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC" . "MYKFSDGCGNRIEA-KXTJMAPWSA-N" . "InChI=1S/C156H242N40O53S/c1-21-73(11)119(148(241)175-90(44-46-108(159)202)133(226)194-123(79(17)199)152(245)174-88(42-33-34-49-157)132(225)190-122(76(14)24-4)151(244)196-124(80(18)200)153(246)188-105(155(248)249)65-118(217)218)191-143(236)95(54-72(9)10)177-137(230)98(57-84-66-166-87-41-32-31-40-85(84)87)180-139(232)100(60-110(161)204)187-149(242)120(74(12)22-2)192-144(237)97(56-83-38-29-26-30-39-83)178-141(234)103(63-116(213)214)183-129(222)89(43-35-50-165-156(163)164)171-127(220)78(16)168-126(219)77(15)169-134(227)93(52-70(5)6)176-138(231)99(59-109(160)203)182-142(235)104(64-117(215)216)184-135(228)94(53-71(7)8)186-150(243)121(75(13)23-3)193-154(247)125(81(19)201)195-145(238)101(61-111(162)205)181-131(224)92(48-51-250-20)173-130(223)91(45-47-113(207)208)172-140(233)102(62-115(211)212)185-147(240)107(69-198)189-136(229)96(55-82-36-27-25-28-37-82)179-146(239)106(68-197)170-112(206)67-167-128(221)86(158)58-114(209)210/h25-32,36-41,66,70-81,86,88-107,119-125,166,197-201H,21-24,33-35,42-65,67-69,157-158H2,1-20H3,(H2,159,202)(H2,160,203)(H2,161,204)(H2,162,205)(H,167,221)(H,168,219)(H,169,227)(H,170,206)(H,171,220)(H,172,233)(H,173,223)(H,174,245)(H,175,241)(H,176,231)(H,177,230)(H,178,234)(H,179,239)(H,180,232)(H,181,224)(H,182,235)(H,183,222)(H,184,228)(H,185,240)(H,186,243)(H,187,242)(H,188,246)(H,189,229)(H,190,225)(H,191,236)(H,192,237)(H,193,247)(H,194,226)(H,195,238)(H,196,244)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H,248,249)(H4,163,164,165)/t73-,74-,75-,76-,77-,78-,79+,80+,81+,86-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,119-,120-,121-,122-,123-,124-,125-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(=O)O)C(O)C)C(CC)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(N)C)CC(=O)O)CO)Cc1ccccc1)CO)CC(=O)O)CCC(=O)O)CCSC)CC(=O)N)CC(C)C)CC(=O)O)CC(=O)N)CC(C)C)C)CCCN=C(N)N)CC(=O)O)Cc1ccccc1)CC(=O)N)CC(C)C)CCC(=O)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC" . "OQGQYLSDVZWIPO-QSSAVJFTSA-N" . "InChI=1S/C160H249N41O55S/c1-22-74(11)121(151(247)178-91(45-47-110(163)208)136(232)199-126(81(18)205)156(252)176-89(43-34-35-50-161)135(231)194-124(77(14)25-4)154(250)201-127(82(19)206)157(253)192-107(159(255)256)66-120(223)224)195-146(242)96(55-73(9)10)181-140(236)99(58-86-67-170-88-42-33-32-41-87(86)88)184-142(238)101(60-112(165)210)191-152(248)122(75(12)23-2)196-147(243)98(57-85-39-30-27-31-40-85)182-144(240)105(64-118(219)220)187-132(228)90(44-36-51-169-160(167)168)177-155(251)125(80(17)204)198-130(226)79(16)172-137(233)94(53-71(5)6)180-141(237)100(59-111(164)209)186-145(241)106(65-119(221)222)188-138(234)95(54-72(7)8)190-153(249)123(76(13)24-3)197-158(254)128(83(20)207)200-148(244)102(61-113(166)211)185-134(230)93(49-52-257-21)175-133(229)92(46-48-115(213)214)174-143(239)104(63-117(217)218)189-150(246)109(70-203)193-139(235)97(56-84-37-28-26-29-38-84)183-149(245)108(69-202)173-114(212)68-171-131(227)103(62-116(215)216)179-129(225)78(15)162/h26-33,37-42,67,71-83,89-109,121-128,170,202-207H,22-25,34-36,43-66,68-70,161-162H2,1-21H3,(H2,163,208)(H2,164,209)(H2,165,210)(H2,166,211)(H,171,227)(H,172,233)(H,173,212)(H,174,239)(H,175,229)(H,176,252)(H,177,251)(H,178,247)(H,179,225)(H,180,237)(H,181,236)(H,182,240)(H,183,245)(H,184,238)(H,185,230)(H,186,241)(H,187,228)(H,188,234)(H,189,246)(H,190,249)(H,191,248)(H,192,253)(H,193,235)(H,194,231)(H,195,242)(H,196,243)(H,197,254)(H,198,226)(H,199,232)(H,200,244)(H,201,250)(H,213,214)(H,215,216)(H,217,218)(H,219,220)(H,221,222)(H,223,224)(H,255,256)(H4,167,168,169)/t74-,75-,76-,77-,78-,79-,80+,81+,82+,83+,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,121-,122-,123-,124-,125-,126-,127-,128-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(=O)O)C(O)C)C(CC)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1nc[nH]c1)N)C)CC(=O)O)CO)Cc1ccccc1)CO)CC(=O)O)CCC(=O)O)CCSC)CC(=O)N)CC(C)C)CC(=O)O)CC(=O)N)CC(C)C)C)CCCN=C(N)N)CC(=O)O)Cc1ccccc1)CC(=O)N)CC(C)C)CCC(=O)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC" . "JPRUMPQGPCFDGW-CWHSZFSPSA-N" . "InChI=1S/C166H256N44O56S/c1-22-77(11)126(157(257)187-96(45-47-115(169)217)142(242)208-131(84(18)214)162(262)185-94(43-34-35-50-167)141(241)203-129(80(14)25-4)160(260)210-132(85(19)215)163(263)201-112(165(265)266)67-125(232)233)204-152(252)101(55-76(9)10)190-146(246)104(58-89-68-177-93-42-33-32-41-91(89)93)193-148(248)106(61-117(171)219)200-158(258)127(78(12)23-2)205-153(253)103(57-88-39-30-27-31-40-88)191-150(250)110(65-123(228)229)196-138(238)95(44-36-51-176-166(173)174)186-161(261)130(83(17)213)207-135(235)82(16)181-143(243)99(53-74(5)6)189-147(247)105(60-116(170)218)195-151(251)111(66-124(230)231)197-144(244)100(54-75(7)8)199-159(259)128(79(13)24-3)206-164(264)133(86(20)216)209-154(254)107(62-118(172)220)194-140(240)98(49-52-267-21)184-139(239)97(46-48-120(222)223)183-149(249)109(64-122(226)227)198-156(256)114(72-212)202-145(245)102(56-87-37-28-26-29-38-87)192-155(255)113(71-211)182-119(221)70-178-137(237)108(63-121(224)225)188-134(234)81(15)180-136(236)92(168)59-90-69-175-73-179-90/h26-33,37-42,68-69,73-86,92,94-114,126-133,177,211-216H,22-25,34-36,43-67,70-72,167-168H2,1-21H3,(H2,169,217)(H2,170,218)(H2,171,219)(H2,172,220)(H,175,179)(H,178,237)(H,180,236)(H,181,243)(H,182,221)(H,183,249)(H,184,239)(H,185,262)(H,186,261)(H,187,257)(H,188,234)(H,189,247)(H,190,246)(H,191,250)(H,192,255)(H,193,248)(H,194,240)(H,195,251)(H,196,238)(H,197,244)(H,198,256)(H,199,259)(H,200,258)(H,201,263)(H,202,245)(H,203,241)(H,204,252)(H,205,253)(H,206,264)(H,207,235)(H,208,242)(H,209,254)(H,210,260)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,232,233)(H,265,266)(H4,173,174,176)/t77-,78-,79-,80-,81-,82-,83+,84+,85+,86+,92-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,126-,127-,128-,129-,130-,131-,132-,133-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(=O)O)C(O)C)C(CC)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1nc[nH]c1)N)C)CC(=O)O)CO)Cc1ccccc1)CO)CC(=O)O)CCC(=O)O)CCSC)CC(=O)N)CC(C)C)CC(=O)O)CC(=O)N)CC(C)C)C)C)CCCN=C(N)N)CC(=O)O)Cc1ccccc1)CC(=O)N)CC(C)C)CCC(=O)N " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC" . "TWSALRJGPBVBQU-PKQQPRCHSA-N" . "InChI=1S/C165H254N44O55S/c1-22-77(11)126(157(256)187-96(45-47-115(168)215)142(241)207-130(84(18)212)161(260)186-94(43-34-35-50-166)141(240)203-129(80(14)25-4)160(259)209-131(85(19)213)162(261)201-112(164(263)264)67-125(230)231)204-152(251)101(55-76(9)10)190-146(245)104(58-89-68-176-93-42-33-32-41-91(89)93)193-148(247)106(61-117(170)217)200-158(257)127(78(12)23-2)205-153(252)103(57-88-39-30-27-31-40-88)191-150(249)110(65-123(226)227)196-138(237)95(44-36-51-175-165(172)173)183-134(233)82(16)179-133(232)81(15)181-143(242)99(53-74(5)6)189-147(246)105(60-116(169)216)195-151(250)111(66-124(228)229)197-144(243)100(54-75(7)8)199-159(258)128(79(13)24-3)206-163(262)132(86(20)214)208-154(253)107(62-118(171)218)194-140(239)98(49-52-265-21)185-139(238)97(46-48-120(220)221)184-149(248)109(64-122(224)225)198-156(255)114(72-211)202-145(244)102(56-87-37-28-26-29-38-87)192-155(254)113(71-210)182-119(219)70-177-137(236)108(63-121(222)223)188-135(234)83(17)180-136(235)92(167)59-90-69-174-73-178-90/h26-33,37-42,68-69,73-86,92,94-114,126-132,176,210-214H,22-25,34-36,43-67,70-72,166-167H2,1-21H3,(H2,168,215)(H2,169,216)(H2,170,217)(H2,171,218)(H,174,178)(H,177,236)(H,179,232)(H,180,235)(H,181,242)(H,182,219)(H,183,233)(H,184,248)(H,185,238)(H,186,260)(H,187,256)(H,188,234)(H,189,246)(H,190,245)(H,191,249)(H,192,254)(H,193,247)(H,194,239)(H,195,250)(H,196,237)(H,197,243)(H,198,255)(H,199,258)(H,200,257)(H,201,261)(H,202,244)(H,203,240)(H,204,251)(H,205,252)(H,206,262)(H,207,241)(H,208,253)(H,209,259)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,263,264)(H4,172,173,175)/t77-,78-,79-,80-,81-,82-,83-,84+,85+,86+,92-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,126-,127-,128-,129-,130-,131-,132-/m0/s1" . "CCCC(=O)O" . "CCCC(=O)O" . "FERIUCNNQQJTOY-UHFFFAOYSA-N" . "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C(O)C)CCC(=O)N)C(CC)C)CC(C)C)Cc1c[nH]c2c1cccc2)CC(=O)N)C(CC)C)Cc1ccccc1)CC(=O)O)CCCN=C(N)N)C(O)C)C)CC(C)C)CC(=O)N)CC(=O)O)CC(C)C)C(CC)C)C(O)C)CC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1nc[nH]c1)N)C)CC(=O)O)CO)Cc1ccccc1)CO)CC(=O)O)CCC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)CC" . "HWWYRXSEACCADD-IUWMYHKYSA-N" . "InChI=1S/C146H221N39O49S/c1-19-68(10)112(140(228)165-84(38-40-102(148)191)125(213)185-117(75(17)190)145(233)234)180-135(223)89(47-67(8)9)168-129(217)92(50-78-59-156-82-36-29-28-35-80(78)82)171-131(219)94(53-104(150)193)178-141(229)113(69(11)20-2)181-136(224)91(49-77-33-26-23-27-34-77)169-133(221)98(57-110(202)203)174-122(210)83(37-30-43-155-146(152)153)164-143(231)115(73(15)188)183-119(207)72(14)160-126(214)87(45-65(4)5)167-130(218)93(52-103(149)192)173-134(222)99(58-111(204)205)175-127(215)88(46-66(6)7)177-142(230)114(70(12)21-3)182-144(232)116(74(16)189)184-137(225)95(54-105(151)194)172-124(212)86(42-44-235-18)163-123(211)85(39-41-107(196)197)162-132(220)97(56-109(200)201)176-139(227)101(63-187)179-128(216)90(48-76-31-24-22-25-32-76)170-138(226)100(62-186)161-106(195)61-157-121(209)96(55-108(198)199)166-118(206)71(13)159-120(208)81(147)51-79-60-154-64-158-79/h22-29,31-36,59-60,64-75,81,83-101,112-117,156,186-190H,19-21,30,37-58,61-63,147H2,1-18H3,(H2,148,191)(H2,149,192)(H2,150,193)(H2,151,194)(H,154,158)(H,157,209)(H,159,208)(H,160,214)(H,161,195)(H,162,220)(H,163,211)(H,164,231)(H,165,228)(H,166,206)(H,167,218)(H,168,217)(H,169,221)(H,170,226)(H,171,219)(H,172,212)(H,173,222)(H,174,210)(H,175,215)(H,176,227)(H,177,230)(H,178,229)(H,179,216)(H,180,223)(H,181,224)(H,182,232)(H,183,207)(H,184,225)(H,185,213)(H,196,197)(H,198,199)(H,200,201)(H,202,203)(H,204,205)(H,233,234)(H4,152,153,155)/t68-,69-,70-,71-,72-,73+,74+,75+,81-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,112-,113-,114-,115-,116-,117-/m0/s1" . "NCCC[P+](=O)O" . "NCCC[P+](=O)O" . "MQIWYGZSHIXQIU-UHFFFAOYSA-O" . "InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2/p+1" . "NCCCP(=O)(O)C" . "NCCCP(=O)(O)C" . "NHVRIDDXGZPJTJ-UHFFFAOYSA-N" . "InChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)" . "OCC(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(C)C" . "OCC(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(C)C" . "XLWJPQQFJNGUPA-UHFFFAOYSA-N" . "InChI=1S/C19H32O2/c1-17(2,3)14-9-13(11-19(7,8)12-20)10-15(16(14)21)18(4,5)6/h9-10,20-21H,11-12H2,1-8H3" . "NCC(c1ccc(cc1)Cl)CS(=O)(=O)O" . "NCC(c1ccc(cc1)Cl)CS(=O)(=O)O" . "JYLNVJYYQQXNEK-UHFFFAOYSA-N" . "InChI=1S/C9H12ClNO3S/c10-9-3-1-7(2-4-9)8(5-11)6-15(12,13)14/h1-4,8H,5-6,11H2,(H,12,13,14)" . "CCCCCCCCCCCCCCCC(=O)O" . "CCCCCCCCCCCCCCCC(=O)O" . "IPCSVZSSVZVIGE-UHFFFAOYSA-N" . "InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N)CO)C)CO)CO)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)CC(C)C)CO)CCCCN)CCC(=O)N)CCSC)CCC(=O)O)CCC(=O)O)CCC(=O)O)C)CCCNC(=N)N)CC(C)C)Cc1ccccc1)CCC(=O)O)CC(C)C" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N)CO)C)CO)CO)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)CC(C)C)CO)CCCCN)CCC(=O)N)CCSC)CCC(=O)O)CCC(=O)O)CCC(=O)O)C)CCCNC(=N)N)CC(C)C)Cc1ccccc1)CCC(=O)O)CC(C)C" . "WSEVKKHALHSUMB-RYVRVIGHSA-N" . "InChI=1S/C149H234N40O47S/c1-14-78(10)120(185-139(227)98(62-81-29-16-15-17-30-81)177-136(224)97(61-76(6)7)175-129(217)88(35-24-53-158-149(156)157)172-144(232)119(77(8)9)184-122(210)79(11)164-126(214)90(41-46-114(199)200)168-131(219)91(42-47-115(201)202)169-132(220)92(43-48-116(203)204)170-134(222)94(50-58-237-13)171-130(218)89(40-45-109(153)194)167-127(215)86(33-20-22-51-150)166-140(228)103(72-192)182-137(225)95(59-74(2)3)174-123(211)84(152)64-118(207)208)145(233)173-93(44-49-117(205)206)133(221)178-99(63-82-66-159-85-32-19-18-31-83(82)85)138(226)176-96(60-75(4)5)135(223)165-87(34-21-23-52-151)128(216)179-100(65-110(154)195)124(212)161-67-111(196)160-69-113(198)186-54-25-36-105(186)142(230)183-104(73-193)141(229)181-102(71-191)125(213)162-68-112(197)163-80(12)146(234)188-56-27-38-107(188)148(236)189-57-28-39-108(189)147(235)187-55-26-37-106(187)143(231)180-101(70-190)121(155)209/h15-19,29-32,66,74-80,84,86-108,119-120,159,190-193H,14,20-28,33-65,67-73,150-152H2,1-13H3,(H2,153,194)(H2,154,195)(H2,155,209)(H,160,196)(H,161,212)(H,162,213)(H,163,197)(H,164,214)(H,165,223)(H,166,228)(H,167,215)(H,168,219)(H,169,220)(H,170,222)(H,171,218)(H,172,232)(H,173,233)(H,174,211)(H,175,217)(H,176,226)(H,177,224)(H,178,221)(H,179,216)(H,180,231)(H,181,229)(H,182,225)(H,183,230)(H,184,210)(H,185,227)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,207,208)(H4,156,157,158)/t78-,79-,80-,84-,86-,87-,88-,89+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,119-,120-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C(=O)O)CO)C)CO)CO)CC(=O)N)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)O)N)CC(C)C)CO)CCCCN)CCC(=O)N)CCSC)CCC(=O)O)CCC(=O)O)CCC(=O)O)C)CCCN=C(N)N)CC(C)C)Cc1ccccc1)CCC(=O)O)CC(C)C " . "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O" . "QTIZTYRRFLYILO-MVNVRWBSSA-N" . "InChI=1S/C149H233N39O48S/c1-14-78(10)120(184-138(225)98(62-81-29-16-15-17-30-81)176-135(222)97(61-76(6)7)174-128(215)88(35-24-53-157-149(155)156)171-143(230)119(77(8)9)183-121(208)79(11)163-125(212)90(41-46-114(198)199)167-130(217)91(42-47-115(200)201)168-131(218)92(43-48-116(202)203)169-133(220)94(50-58-237-13)170-129(216)89(40-45-109(153)193)166-126(213)86(33-20-22-51-150)165-139(226)102(71-190)180-136(223)95(59-74(2)3)173-122(209)84(152)64-118(206)207)144(231)172-93(44-49-117(204)205)132(219)177-99(63-82-66-158-85-32-19-18-31-83(82)85)137(224)175-96(60-75(4)5)134(221)164-87(34-21-23-52-151)127(214)178-100(65-110(154)194)123(210)160-67-111(195)159-69-113(197)185-54-25-36-105(185)141(228)181-103(72-191)140(227)179-101(70-189)124(211)161-68-112(196)162-80(12)145(232)187-56-27-38-107(187)147(234)188-57-28-39-108(188)146(233)186-55-26-37-106(186)142(229)182-104(73-192)148(235)236/h15-19,29-32,66,74-80,84,86-108,119-120,158,189-192H,14,20-28,33-65,67-73,150-152H2,1-13H3,(H2,153,193)(H2,154,194)(H,159,195)(H,160,210)(H,161,211)(H,162,196)(H,163,212)(H,164,221)(H,165,226)(H,166,213)(H,167,217)(H,168,218)(H,169,220)(H,170,216)(H,171,230)(H,172,231)(H,173,209)(H,174,215)(H,175,224)(H,176,222)(H,177,219)(H,178,214)(H,179,227)(H,180,223)(H,181,228)(H,182,229)(H,183,208)(H,184,225)(H,198,199)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H,235,236)(H4,155,156,157)/t78-,79-,80-,84-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,119-,120-/m0/s1" . "CC(=O)O" . "CC(=O)O" . "QTBSBXVTEAMEQO-UHFFFAOYSA-N" . "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" . "CCOc1ncc(cn1)Cc1cn(c2ccc(cc2)C(=O)OCC)c(nc1=O)SCc1ccc(cc1)F" . "CCOc1ncc(cn1)Cc1cn(c2ccc(cc2)C(=O)OCC)c(nc1=O)SCc1ccc(cc1)F" . "PTPNCCWOTBBVJR-UHFFFAOYSA-N" . "InChI=1S/C27H25FN4O4S/c1-3-35-25(34)20-7-11-23(12-8-20)32-16-21(13-19-14-29-26(30-15-19)36-4-2)24(33)31-27(32)37-17-18-5-9-22(28)10-6-18/h5-12,14-16H,3-4,13,17H2,1-2H3" . "OC(COc1cc(C)ccc1Cl)CNC(C)(C)C" . "OC(COc1cc(C)ccc1Cl)CNC(C)(C)C" . "HQIRNZOQPUAHHV-UHFFFAOYSA-N" . "InChI=1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C(O)C)CC(=O)N)CCSC)CC(C)C)Cc1c[nH]c2c1cccc2)CCC(=O)N)C(C)C)Cc1ccccc1)CC(=O)O)CCC(=O)N)C)CCCN=C(N)N)CCCN=C(N)N)CO)CC(=O)O)CC(C)C)Cc1ccc(cc1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1nc[nH]c1)N)CO)CCC(=O)N)Cc1ccccc1)CO)CC(=O)O)Cc1ccc(cc1)O)CO" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)CC(=O)N)CCSC)CC(C)C)Cc1c[nH]c2c1cccc2)CCC(=O)N)C(C)C)Cc1ccccc1)CC(=O)O)CCC(=O)N)C)CCCN=C(N)N)CCCN=C(N)N)CO)CC(=O)O)CC(C)C)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1nc[nH]c1)N)CO)CCC(=O)N)Cc1ccccc1)CO)CC(=O)O)Cc1ccc(cc1)O)CO" . "MASNOZXLGMXCHN-ZLPAWPGGSA-N" . "InChI=1S/C153H225N43O49S/c1-72(2)52-97(133(226)176-96(47-51-246-11)132(225)184-104(60-115(159)209)143(236)196-123(78(10)203)151(244)245)179-137(230)103(58-83-64-167-89-29-19-18-28-87(83)89)183-131(224)95(43-46-114(158)208)177-148(241)120(74(5)6)194-141(234)101(54-79-24-14-12-15-25-79)182-138(231)105(61-117(211)212)185-130(223)94(42-45-113(157)207)171-124(217)75(7)170-127(220)91(31-22-49-165-152(160)161)172-128(221)92(32-23-50-166-153(162)163)174-146(239)110(69-199)191-140(233)107(63-119(215)216)186-134(227)98(53-73(3)4)178-135(228)99(56-81-33-37-85(204)38-34-81)180-129(222)90(30-20-21-48-154)173-145(238)109(68-198)190-136(229)100(57-82-35-39-86(205)40-36-82)181-139(232)106(62-118(213)214)187-147(240)111(70-200)192-150(243)122(77(9)202)195-142(235)102(55-80-26-16-13-17-27-80)188-149(242)121(76(8)201)193-116(210)66-168-126(219)93(41-44-112(156)206)175-144(237)108(67-197)189-125(218)88(155)59-84-65-164-71-169-84/h12-19,24-29,33-40,64-65,71-78,88,90-111,120-123,167,197-205H,20-23,30-32,41-63,66-70,154-155H2,1-11H3,(H2,156,206)(H2,157,207)(H2,158,208)(H2,159,209)(H,164,169)(H,168,219)(H,170,220)(H,171,217)(H,172,221)(H,173,238)(H,174,239)(H,175,237)(H,176,226)(H,177,241)(H,178,228)(H,179,230)(H,180,222)(H,181,232)(H,182,231)(H,183,224)(H,184,225)(H,185,223)(H,186,227)(H,187,240)(H,188,242)(H,189,218)(H,190,229)(H,191,233)(H,192,243)(H,193,210)(H,194,234)(H,195,235)(H,196,236)(H,211,212)(H,213,214)(H,215,216)(H,244,245)(H4,160,161,165)(H4,162,163,166)/t75-,76+,77+,78+,88-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,120-,121-,122-,123-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C(=O)N)CO)C)CO)CO)CC(=O)N)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(Cc1nc[nH]c1)N)CCC(=O)O)Cc1ccccc1)CO)CC(=O)O)CC(C)C)CO)CCCCN)CCC(=O)N)CCSC)CCC(=O)O)CCC(=O)O)CCC(=O)O)C)CCCNC(=N)N)CC(C)C)Cc1ccccc1)CCC(=O)O)CC(C)C" . "NCCCCC(C(=O)NC(C(=O)NCC(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C(=O)N)CO)C)CO)CO)CC(=O)N)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(Cc1nc[nH]c1)N)CCC(=O)O)Cc1ccccc1)CO)CC(=O)O)CC(C)C)CO)CCCCN)CCC(=O)N)CCSC)CCC(=O)O)CCC(=O)O)CCC(=O)O)C)CCCNC(=N)N)CC(C)C)Cc1ccccc1)CCC(=O)O)CC(C)C" . "HTQBXNHDCUEHJF-UHFFFAOYSA-N" . "InChI=1S/C184H282N50O60S/c1-16-94(10)147(178(289)213-114(52-58-144(257)258)163(274)218-121(73-101-77-195-105-39-24-23-38-103(101)105)168(279)215-116(68-90(2)3)165(276)205-107(41-26-28-61-186)158(269)219-122(75-134(189)243)154(265)198-79-135(244)196-83-139(248)231-63-30-43-129(231)175(286)225-127(87-238)174(285)223-125(85-236)155(266)200-80-136(245)202-96(12)181(292)233-65-32-45-131(233)183(294)234-66-33-46-132(234)182(293)232-64-31-44-130(232)176(287)222-124(84-235)150(190)261)229-170(281)119(71-99-34-19-17-20-35-99)217-166(277)117(69-91(4)5)214-159(270)108(42-29-62-194-184(191)192)212-177(288)146(93(8)9)228-151(262)95(11)203-156(267)111(49-55-141(251)252)208-161(272)112(50-56-142(253)254)209-162(273)113(51-57-143(255)256)210-164(275)115(59-67-295-15)211-160(271)110(47-53-133(188)242)207-157(268)106(40-25-27-60-185)206-172(283)126(86-237)224-167(278)118(70-92(6)7)216-169(280)123(76-145(259)260)220-173(284)128(88-239)226-180(291)149(98(14)241)230-171(282)120(72-100-36-21-18-22-37-100)221-179(290)148(97(13)240)227-138(247)82-199-153(264)109(48-54-140(249)250)204-137(246)81-197-152(263)104(187)74-102-78-193-89-201-102/h17-24,34-39,77-78,89-98,104,106-132,146-149,195,235-241H,16,25-33,40-76,79-88,185-187H2,1-15H3,(H2,188,242)(H2,189,243)(H2,190,261)(H,193,201)(H,196,244)(H,197,263)(H,198,265)(H,199,264)(H,200,266)(H,202,245)(H,203,267)(H,204,246)(H,205,276)(H,206,283)(H,207,268)(H,208,272)(H,209,273)(H,210,275)(H,211,271)(H,212,288)(H,213,289)(H,214,270)(H,215,279)(H,216,280)(H,217,277)(H,218,274)(H,219,269)(H,220,284)(H,221,290)(H,222,287)(H,223,285)(H,224,278)(H,225,286)(H,226,291)(H,227,247)(H,228,262)(H,229,281)(H,230,282)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H4,191,192,194)" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N)CCCN=C(N)N)CCCCN)C(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)C)C(CC)C)Cc1ccccc1)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1nc[nH]c1)N)C)CCC(=O)O)Cc1ccccc1)CO)CC(=O)O)CO)CO)Cc1ccc(cc1)O)CC(C)C)CCC(=O)O)CCC(=O)N)C)C" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N)CCCN=C(N)N)CCCCN)C(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)C)[C@H](CC)C)Cc1ccccc1)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1nc[nH]c1)N)C)CCC(=O)O)Cc1ccccc1)CO)CC(=O)O)CO)CO)Cc1ccc(cc1)O)CC(C)C)CCC(=O)O)CCC(=O)N)C)C" . "DTHNMHAUYICORS-KTKZVXAJSA-N" . "InChI=1S/C149H226N40O45/c1-17-76(10)119(146(232)167-80(14)126(212)175-104(60-86-63-159-91-36-25-24-35-89(86)91)136(222)177-100(56-73(4)5)137(223)186-117(74(6)7)144(230)174-93(37-26-28-52-150)128(214)160-65-110(197)168-92(122(154)208)39-30-54-158-149(155)156)188-138(224)102(57-83-31-20-18-21-32-83)178-133(219)98(47-51-115(204)205)173-132(218)94(38-27-29-53-151)170-124(210)78(12)164-123(209)77(11)166-131(217)97(44-48-109(153)196)169-111(198)66-161-130(216)96(46-50-114(202)203)172-134(220)99(55-72(2)3)176-135(221)101(59-85-40-42-88(195)43-41-85)179-141(227)106(68-190)182-143(229)108(70-192)183-145(231)118(75(8)9)187-140(226)105(62-116(206)207)180-142(228)107(69-191)184-148(234)121(82(16)194)189-139(225)103(58-84-33-22-19-23-34-84)181-147(233)120(81(15)193)185-112(199)67-162-129(215)95(45-49-113(200)201)171-125(211)79(13)165-127(213)90(152)61-87-64-157-71-163-87/h18-25,31-36,40-43,63-64,71-82,90,92-108,117-121,159,190-195H,17,26-30,37-39,44-62,65-70,150-152H2,1-16H3,(H2,153,196)(H2,154,208)(H,157,163)(H,160,214)(H,161,216)(H,162,215)(H,164,209)(H,165,213)(H,166,217)(H,167,232)(H,168,197)(H,169,198)(H,170,210)(H,171,211)(H,172,220)(H,173,218)(H,174,230)(H,175,212)(H,176,221)(H,177,222)(H,178,219)(H,179,227)(H,180,228)(H,181,233)(H,182,229)(H,183,231)(H,184,234)(H,185,199)(H,186,223)(H,187,226)(H,188,224)(H,189,225)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H4,155,156,158)/t76-,77-,78-,79-,80-,81+,82+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,117-,118-,119-,120-,121-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)CCC(=O)N)C)CC(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)CC(=O)N)C(C)C)Cc1ccccc1)CC(=O)O)CCC(=O)N)CCC(=O)N)Cc1nc[nH]c1)C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(Cc1ccccc1)N)CO)CC(=O)O)Cc1ccc(cc1)O)CO)C)CCSC)CC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC" . "RWSULNVYKILTIY-YQRZJRGOSA-N" . "InChI=1S/C139H208N34O39S/c1-16-72(10)112(173-134(206)103(67-175)168-125(197)94(57-79-39-41-82(176)42-40-79)160-131(203)101(63-110(185)186)165-133(205)102(66-174)169-138(210)113(73(11)17-2)171-117(189)84(142)55-77-31-21-19-22-32-77)136(208)151-76(14)116(188)153-90(49-52-213-15)121(193)164-99(61-108(181)182)129(201)154-86(37-27-29-50-140)122(194)172-114(74(12)18-3)137(209)166-97(59-81-65-147-68-149-81)127(199)156-88(44-47-105(144)178)118(190)155-89(45-48-106(145)179)120(192)163-100(62-109(183)184)130(202)161-95(56-78-33-23-20-24-34-78)132(204)170-111(71(8)9)135(207)167-98(60-107(146)180)128(200)162-96(58-80-64-148-85-36-26-25-35-83(80)85)126(198)159-93(54-70(6)7)124(196)158-92(53-69(4)5)123(195)150-75(13)115(187)152-87(43-46-104(143)177)119(191)157-91(139(211)212)38-28-30-51-141/h19-26,31-36,39-42,64-65,68-76,84,86-103,111-114,148,174-176H,16-18,27-30,37-38,43-63,66-67,140-142H2,1-15H3,(H2,143,177)(H2,144,178)(H2,145,179)(H2,146,180)(H,147,149)(H,150,195)(H,151,208)(H,152,187)(H,153,188)(H,154,201)(H,155,190)(H,156,199)(H,157,191)(H,158,196)(H,159,198)(H,160,203)(H,161,202)(H,162,200)(H,163,192)(H,164,193)(H,165,205)(H,166,209)(H,167,207)(H,168,197)(H,169,210)(H,170,204)(H,171,189)(H,172,194)(H,173,206)(H,181,182)(H,183,184)(H,185,186)(H,211,212)/t72-,73-,74-,75-,76-,84-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,111-,112-,113-,114-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)CCC(=O)N)C)CC(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)CC(=O)N)C(C)C)Cc1ccccc1)CC(=O)O)CCC(=O)N)CCC(=O)N)CCCN=C(N)N)C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)CO)C)CCSC)CC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)[C@@H](C)CC" . "VEGQOGPNPADXGF-SMTHDJNTSA-N" . "InChI=1S/C117H183N31O32S/c1-14-61(9)94(148-112(175)86(57-149)145-98(161)70(120)50-66-33-35-68(150)36-34-66)114(177)130-64(12)97(160)132-77(43-47-181-13)103(166)143-84(54-91(155)156)109(172)133-72(30-21-23-44-118)104(167)147-95(62(10)15-2)115(178)136-73(32-25-46-127-117(125)126)99(162)134-75(38-41-88(122)152)100(163)135-76(39-42-89(123)153)102(165)142-85(55-92(157)158)110(173)140-81(51-65-26-17-16-18-27-65)111(174)146-93(60(7)8)113(176)144-83(53-90(124)154)108(171)141-82(52-67-56-128-71-29-20-19-28-69(67)71)107(170)139-80(49-59(5)6)106(169)138-79(48-58(3)4)105(168)129-63(11)96(159)131-74(37-40-87(121)151)101(164)137-78(116(179)180)31-22-24-45-119/h16-20,26-29,33-36,56,58-64,70,72-86,93-95,128,149-150H,14-15,21-25,30-32,37-55,57,118-120H2,1-13H3,(H2,121,151)(H2,122,152)(H2,123,153)(H2,124,154)(H,129,168)(H,130,177)(H,131,159)(H,132,160)(H,133,172)(H,134,162)(H,135,163)(H,136,178)(H,137,164)(H,138,169)(H,139,170)(H,140,173)(H,141,171)(H,142,165)(H,143,166)(H,144,176)(H,145,161)(H,146,174)(H,147,167)(H,148,175)(H,155,156)(H,157,158)(H,179,180)(H4,125,126,127)/t61-,62-,63-,64-,70-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,93-,94-,95-/m0/s1" . "O=C(C(NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C" . "O=C([C@H](NC(=O)C(N)(C)C)COCc1ccccc1)N1CCC2(CC1)CN(c1c2cccc1)[35S](=O)(=O)C" . "UMUPQWIGCOZEOY-KRTHATKOSA-N" . "InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1/i37+3" . "NCCCCC(C(=O)O)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)C)Cc1nc[nH]c1)C)Cc1ccccc1 " . "C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O" . "ODZXFAKPKDUICF-GCUJDKQKSA-N" . "InChI=1S/C58H69N13O10/c1-33(65-53(75)43(60)24-36-19-21-40(72)22-20-36)51(73)69-50(28-39-31-61-32-64-39)57(79)71-48(26-37-29-62-44-16-8-6-14-41(37)44)54(76)66-34(2)52(74)68-49(27-38-30-63-45-17-9-7-15-42(38)45)56(78)70-47(25-35-12-4-3-5-13-35)55(77)67-46(58(80)81)18-10-11-23-59/h3-9,12-17,19-22,29-34,43,46-50,62-63,72H,10-11,18,23-28,59-60H2,1-2H3,(H,61,64)(H,65,75)(H,66,76)(H,67,77)(H,68,74)(H,69,73)(H,70,78)(H,71,79)(H,80,81)/t33-,34-,43-,46-,47-,48-,49-,50-/m0/s1" . "NCCCCC(C(=O)N)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1cnc[nH]1)N)C" . "NCCCCC(C(=O)N)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(Cc1cnc[nH]1)N)C" . "WZHKXNSOCOQYQX-UHFFFAOYSA-N" . "InChI=1S/C46H56N12O6/c1-27(54-44(62)39(20-29-23-51-35-15-7-5-13-32(29)35)57-43(61)34(48)22-31-25-50-26-53-31)42(60)56-40(21-30-24-52-36-16-8-6-14-33(30)36)46(64)58-38(19-28-11-3-2-4-12-28)45(63)55-37(41(49)59)17-9-10-18-47/h2-8,11-16,23-27,34,37-40,51-52H,9-10,17-22,47-48H2,1H3,(H2,49,59)(H,50,53)(H,54,62)(H,55,63)(H,56,60)(H,57,61)(H,58,64)" . "NCCCCC(C(=O)N)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(Cc1ccc2c(c1)cccc2)NC(=O)C(N)C)C" . "NCCCC[C@@H](C(=O)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc2c(c1)cccc2)NC(=O)[C@H](N)C)C" . "HRNLPPBUBKMZMT-RDRUQFPZSA-N" . "InChI=1S/C45H55N9O6/c1-27(47)41(56)52-38(24-30-19-20-31-14-6-7-15-32(31)22-30)43(58)50-28(2)42(57)53-39(25-33-26-49-35-17-9-8-16-34(33)35)45(60)54-37(23-29-12-4-3-5-13-29)44(59)51-36(40(48)55)18-10-11-21-46/h3-9,12-17,19-20,22,26-28,36-39,49H,10-11,18,21,23-25,46-47H2,1-2H3,(H2,48,55)(H,50,58)(H,51,59)(H,52,56)(H,53,57)(H,54,60)/t27-,28+,36+,37-,38-,39+/m1/s1" . "NCC(c1ccc(cc1)Cl)CP(=O)(O)O" . "NCC(c1ccc(cc1)Cl)CP(=O)(O)O" . "VSGNGLJPOGUDON-UHFFFAOYSA-N" . "InChI=1S/C9H13ClNO3P/c10-9-3-1-7(2-4-9)8(5-11)6-15(12,13)14/h1-4,8H,5-6,11H2,(H2,12,13,14)" . "OC(CP(=O)(CC1CCCCC1)O)CNC(c1ccc(c(c1)Cl)Cl)C" . "O[C@H](CP(=O)(CC1CCCCC1)O)CN[C@H](c1ccc(c(c1)Cl)Cl)C" . "JGGVBBYJRQOPPA-BBRMVZONSA-N" . "InChI=1S/C18H28Cl2NO3P/c1-13(15-7-8-17(19)18(20)9-15)21-10-16(22)12-25(23,24)11-14-5-3-2-4-6-14/h7-9,13-14,16,21-22H,2-6,10-12H2,1H3,(H,23,24)/t13-,16-/m0/s1" . "O=C(CCc1ccc(c(c1)I)O)NCCCCCP(=O)(CC(CNC(c1cccc(c1)C(=O)O)C)O)O" . "O=C(CCc1ccc(c(c1)[125I])O)NCCCCCP(=O)(C[C@H](CN[C@@H](c1cccc(c1)C(=O)O)C)O)O" . "RLYLJDJFHZHCTR-ZNAYHWKRSA-N" . "InChI=1S/C26H36IN2O7P/c1-18(20-6-5-7-21(15-20)26(33)34)29-16-22(30)17-37(35,36)13-4-2-3-12-28-25(32)11-9-19-8-10-24(31)23(27)14-19/h5-8,10,14-15,18,22,29-31H,2-4,9,11-13,16-17H2,1H3,(H,28,32)(H,33,34)(H,35,36)/t18-,22+/m1/s1/i27-2" . "OC(=O)CC1OCC(NC1)(C)C" . "OC(=O)C[C@@H]1OCC(NC1)(C)C" . "SEYCKMQSPUVYEF-LURJTMIESA-N" . "InChI=1S/C8H15NO3/c1-8(2)5-12-6(4-9-8)3-7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1" . "[N-]=[N+]=Nc1cc(O)c(cc1I)C(=O)NCCCCCP(=O)(CC(CNC(c1cccc(c1)C(=O)O)C)O)O" . "[N-]=[N+]=Nc1cc(O)c(cc1I)C(=O)NCCCCCP(=O)(C[C@H](CN[C@@H](c1cccc(c1)C(=O)O)C)O)O" . "IHFUJPDKHJTHGQ-QAPCUYQASA-N" . "InChI=1S/C24H31IN5O7P/c1-15(16-6-5-7-17(10-16)24(34)35)28-13-18(31)14-38(36,37)9-4-2-3-8-27-23(33)19-11-20(25)21(29-30-26)12-22(19)32/h5-7,10-12,15,18,28,31-32H,2-4,8-9,13-14H2,1H3,(H,27,33)(H,34,35)(H,36,37)/t15-,18+/m1/s1" . "O=C(CCc1ccc(c(c1)I)O)NCCCCCP(=O)(CC(CNC(c1cccc(c1)C(=O)O)C)O)O" . "O=C(CCc1ccc(c(c1)I)O)NCCCCCP(=O)(C[C@H](CN[C@@H](c1cccc(c1)C(=O)O)C)O)O" . "RLYLJDJFHZHCTR-GCJKJVERSA-N" . "InChI=1S/C26H36IN2O7P/c1-18(20-6-5-7-21(15-20)26(33)34)29-16-22(30)17-37(35,36)13-4-2-3-12-28-25(32)11-9-19-8-10-24(31)23(27)14-19/h5-8,10,14-15,18,22,29-31H,2-4,9,11-13,16-17H2,1H3,(H,28,32)(H,33,34)(H,35,36)/t18-,22+/m1/s1" . "COc1ccc(cc1)CP(=O)(CC(CN(C(c1cccc(c1)C(=O)O)C)C)O)O" . "COc1ccc(cc1)CP(=O)(C[C@H](CN([C@@H](c1cccc(c1)C(=O)O)C)C)O)O" . "AKUSEWDIEMJQBM-BEFAXECRSA-N" . "InChI=1S/C21H28NO6P/c1-15(17-5-4-6-18(11-17)21(24)25)22(2)12-19(23)14-29(26,27)13-16-7-9-20(28-3)10-8-16/h4-11,15,19,23H,12-14H2,1-3H3,(H,24,25)(H,26,27)/t15-,19+/m1/s1" . "OC(CP(=O)(CC1CCCCC1)O)CNC(c1cccc(c1)C(=O)O)C" . "O[C@H](CP(=O)(CC1CCCCC1)O)CN[C@@H](c1cccc(c1)C(=O)O)C" . "JCFULPDIJOVUHP-KDOFPFPSSA-N" . "InChI=1S/C19H30NO5P/c1-14(16-8-5-9-17(10-16)19(22)23)20-11-18(21)13-26(24,25)12-15-6-3-2-4-7-15/h5,8-10,14-15,18,20-21H,2-4,6-7,11-13H2,1H3,(H,22,23)(H,24,25)/t14-,18+/m1/s1" . "OC(CP(=O)(CC1CCCCC1)O)CNC(c1ccc(c(c1)Cl)Cl)C" . "O[C@H](CP(=O)(CC1CCCCC1)O)CN[C@H](c1ccc(c(c1)Cl)Cl)C" . "JGGVBBYJRQOPPA-BBRMVZONSA-N" . "InChI=1S/C18H28Cl2NO3P/c1-13(15-7-8-17(19)18(20)9-15)21-10-16(22)12-25(23,24)11-14-5-3-2-4-6-14/h7-9,13-14,16,21-22H,2-6,10-12H2,1H3,(H,23,24)/t13-,16-/m0/s1" . "CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O" . "CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)O" . "MBMBGCFOFBJSGT-KUBAVDMBSA-N" . "InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-" . "OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1" . "OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1" . "DGENZVKCTGIDRZ-UHFFFAOYSA-N" . "InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)" . "CCC=CCC=CCC=CCCCCCCCC(=O)O" . "CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O" . "DTOSIQBPPRVQHS-PDBXOOCHSA-N" . "InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C)CCCNC(=N)N)CCCNC(=N)N)NC(=O)C(C(C)C)NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(CCSC)N)C)CCCNC(=N)N)CO)CS)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CO)CCC(=O)O)CC(=O)O)CC(C)C" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)CCCNC(=N)N)CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCSC)N)C)CCCNC(=N)N)CO)CS)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CO)CCC(=O)O)CC(=O)O)CC(C)C" . "DPEUWKZJZIPZKE-OFANTOPUSA-N" . "InChI=1S/C119H204N34O32S2/c1-19-65(14)92(112(180)144-81(54-90(160)161)104(172)145-82(52-63(10)11)115(183)153-46-29-37-87(153)110(178)149-91(64(12)13)111(179)139-72(32-23-24-41-120)97(165)136-74(35-27-44-130-119(126)127)98(166)135-73(34-26-43-129-118(124)125)96(164)133-67(16)116(184)185)150-99(167)75(38-39-89(158)159)137-106(174)84(57-155)147-113(181)93(68(17)156)151-105(173)79(51-62(8)9)142-101(169)77(49-60(4)5)140-100(168)76(48-59(2)3)141-102(170)78(50-61(6)7)143-108(176)85(58-186)148-107(175)83(56-154)146-103(171)80(53-69-30-21-20-22-31-69)134-88(157)55-131-95(163)71(33-25-42-128-117(122)123)138-109(177)86-36-28-45-152(86)114(182)66(15)132-94(162)70(121)40-47-187-18/h20-22,30-31,59-68,70-87,91-93,154-156,186H,19,23-29,32-58,120-121H2,1-18H3,(H,131,163)(H,132,162)(H,133,164)(H,134,157)(H,135,166)(H,136,165)(H,137,174)(H,138,177)(H,139,179)(H,140,168)(H,141,170)(H,142,169)(H,143,176)(H,144,180)(H,145,172)(H,146,171)(H,147,181)(H,148,175)(H,149,178)(H,150,167)(H,151,173)(H,158,159)(H,160,161)(H,184,185)(H4,122,123,128)(H4,124,125,129)(H4,126,127,130)/t65-,66-,67-,68+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,91-,92-,93-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)CC(=O)O)CC(=O)N)CCC(=O)N)C(CC)C)CCCCN)CO)Cc1ccccc1)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(N)C)CCCCN)CCCCN)Cc1ccccc1)CCCCN)CCCN=C(N)N)CC(C)C)CCC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O" . "JHPLDUFKMYOICI-HIQIDBLNSA-N" . "InChI=1S/C107H182N30O27/c1-10-62(8)87(105(162)127-72(41-43-82(115)139)94(151)132-79(56-83(116)140)101(158)133-80(57-85(143)144)102(159)128-74(106(163)164)39-22-28-50-113)137-96(153)70(38-21-27-49-112)125-103(160)81(58-138)135-100(157)77(54-64-30-13-11-14-31-64)131-98(155)76(53-60(4)5)130-91(148)68(36-19-25-47-110)121-93(150)73(42-44-84(141)142)126-97(154)75(52-59(2)3)129-92(149)71(40-29-51-119-107(117)118)123-90(147)67(35-18-24-46-109)124-99(156)78(55-65-32-15-12-16-33-65)134-104(161)86(61(6)7)136-95(152)69(37-20-26-48-111)122-89(146)66(34-17-23-45-108)120-88(145)63(9)114/h11-16,30-33,59-63,66-81,86-87,138H,10,17-29,34-58,108-114H2,1-9H3,(H2,115,139)(H2,116,140)(H,120,145)(H,121,150)(H,122,146)(H,123,147)(H,124,156)(H,125,160)(H,126,154)(H,127,162)(H,128,159)(H,129,149)(H,130,148)(H,131,155)(H,132,151)(H,133,158)(H,134,161)(H,135,157)(H,136,152)(H,137,153)(H,141,142)(H,143,144)(H,163,164)(H4,117,118,119)/t62-,63-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,86-,87-/m0/s1" . "CCCCOc1ccc(cc1)C(=O)NN1C(Nc2c(C1=O)cccc2)c1ccc(cc1)O" . "CCCCOc1ccc(cc1)C(=O)NN1C(Nc2c(C1=O)cccc2)c1ccc(cc1)O" . "URGRPHVKOQXJLZ-UHFFFAOYSA-N" . "InChI=1S/C25H25N3O4/c1-2-3-16-32-20-14-10-18(11-15-20)24(30)27-28-23(17-8-12-19(29)13-9-17)26-22-7-5-4-6-21(22)25(28)31/h4-15,23,26,29H,2-3,16H2,1H3,(H,27,30)" . "CCCCCC(C=CC=CC=CC=CC(C(CCCC(=O)O)O)O)O" . "CCCCC[C@@H](/C=C/C=C/C=C/C=C/[C@H]([C@H](CCCC(=O)O)O)O)O" . "IXAQOQZEOGMIQS-SSQFXEBMSA-N" . "InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t17-,18+,19-/m0/s1" . "CC(CC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)C(O)C)Cc1c[nH]c2c1cccc2)Cc1ccc(cc1)O)C(C)C)C(C)C)N)C" . "CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)Cc1c[nH]c2c1cccc2)Cc1ccc(cc1)O)C(C)C)C(C)C)N)C" . "BXIFNVGZIMFBQB-DYDSHOKNSA-N" . "InChI=1S/C45H64N8O10/c1-23(2)19-31(46)39(56)50-37(25(5)6)43(60)51-36(24(3)4)42(59)49-34(20-27-14-16-29(55)17-15-27)44(61)53-18-10-13-35(53)41(58)48-33(40(57)52-38(26(7)54)45(62)63)21-28-22-47-32-12-9-8-11-30(28)32/h8-9,11-12,14-17,22-26,31,33-38,47,54-55H,10,13,18-21,46H2,1-7H3,(H,48,58)(H,49,59)(H,50,56)(H,51,60)(H,52,57)(H,62,63)/t26-,31+,33+,34+,35+,36+,37+,38+/m1/s1" . "NS(=O)(=O)c1ccc(cc1)N1CCN(CC1)CCC1OCCc2c1cccc2" . "NS(=O)(=O)c1ccc(cc1)N1CCN(CC1)CC[C@@H]1OCCc2c1cccc2" . "WNUQCGWXPNGORO-NRFANRHFSA-N" . "InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m0/s1" . "c1ccc(cc1)c1ncc([nH]1)CN1CCN(CC1)c1ncccn1" . "c1ccc(cc1)c1ncc([nH]1)CN1CCN(CC1)c1ncccn1" . "OTVQCHUIPJYASM-UHFFFAOYSA-N" . "InChI=1S/C18H20N6/c1-2-5-15(6-3-1)17-21-13-16(22-17)14-23-9-11-24(12-10-23)18-19-7-4-8-20-18/h1-8,13H,9-12,14H2,(H,21,22)" . "Ic1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2" . "Ic1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2" . "OOEUHRGMLFVKQO-UHFFFAOYSA-N" . "InChI=1S/C18H19IN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)" . "COc1cc(ccc1O)N1CCN(CC1)CC(COc1ccccc1NC(=O)C)O" . "COc1cc(ccc1O)N1CCN(CC1)CC(COc1ccccc1NC(=O)C)O" . "MXZGRDMOUWOERR-UHFFFAOYSA-N" . "InChI=1S/C22H29N3O5/c1-16(26)23-19-5-3-4-6-21(19)30-15-18(27)14-24-9-11-25(12-10-24)17-7-8-20(28)22(13-17)29-2/h3-8,13,18,27-28H,9-12,14-15H2,1-2H3,(H,23,26)" . "CC=CCC(C(C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C" . "C/C=C/C[C@H]([C@H]([C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C" . "PMATZTZNYRCHOR-CGLBZJNRSA-N" . "InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccccc1)CC(C)C)NC=O" . "CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)CC(C)C)NC=O" . "PRQROPMIIGLWRP-BZSNNMDCSA-N" . "InChI=1S/C21H31N3O5S/c1-14(2)11-17(23-19(26)16(22-13-25)9-10-30-3)20(27)24-18(21(28)29)12-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1" . "CCC(=C(c1ccccc1)c1ccc(cc1)OCCN(C)C)c1ccccc1" . "CC/C(=C(/c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1" . "NKANXQFJJICGDU-QPLCGJKRSA-N" . "InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-" . "O=S(CCCC(C(F)(F)F)(F)F)CCCCCCCCCC1Cc2cc(O)ccc2C2C1C1CCC(C1(CC2)C)O" . "O=S(CCCC(C(F)(F)F)(F)F)CCCCCCCCC[C@@H]1Cc2cc(O)ccc2[C@@H]2[C@@H]1[C@@H]1CC[C@@H]([C@]1(CC2)C)O" . "VWUXBMIQPBEWFH-WCCTWKNTSA-N" . "InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1" . "CC(=O)c1ccc2c(c1)C1C=CCC1C(N2)c1cc2OCOc2cc1Br" . "CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](N2)c1cc2OCOc2cc1Br" . "VHSVKVWHYFBIFJ-HKZYLEAXSA-N" . "InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1" . "Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2O)C" . "Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C" . "VOXZDWNPVJITMN-ZBRFXRBCSA-N" . "InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1" . "Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2O)C" . "Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C" . "VOXZDWNPVJITMN-ZBRFXRBCSA-N" . "InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1" . "OCC(COc1nc(nc(c1Oc1ccccc1OC)NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)OC)O" . "OC[C@H](COc1nc(nc(c1Oc1ccccc1OC)NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)OC)O" . "DRIHNVYRUGBDHI-JOCHJYFZSA-N" . "InChI=1S/C31H35N3O8S/c1-31(2,3)21-12-16-24(17-13-21)43(37,38)34-29-27(42-26-9-7-6-8-25(26)40-5)30(41-19-22(36)18-35)33-28(32-29)20-10-14-23(39-4)15-11-20/h6-17,22,35-36H,18-19H2,1-5H3,(H,32,33,34)/t22-/m1/s1" . "CCCCC(N(C(=O)C(CC(C)(C)C)NC(=O)N1C(C)CCCC1C)C(=O)C(Cc1cn(c2c1cccc2)C(=O)OC)N)C(=O)O" . "CCCC[C@@H](N(C(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[C@@H](Cc1cn(c2c1cccc2)C(=O)OC)N)C(=O)O" . "LNGMSNLRAISCCZ-IITZRFRKSA-N" . "InChI=1S/C34H51N5O7/c1-8-9-16-28(31(42)43)39(29(40)25(35)18-23-20-37(33(45)46-7)27-17-11-10-15-24(23)27)30(41)26(19-34(4,5)6)36-32(44)38-21(2)13-12-14-22(38)3/h10-11,15,17,20-22,25-26,28H,8-9,12-14,16,18-19,35H2,1-7H3,(H,36,44)(H,42,43)/t21-,22+,25-,26+,28-/m1/s1" . "CCCOc1ccc(cc1)C1N(CC(=O)Nc2c(CC)cccc2CC)CC(C1C(=O)O)c1ccc2c(c1)OCO2" . "CCCOc1ccc(cc1)[C@@H]1N(CC(=O)Nc2c(CC)cccc2CC)C[C@@H]([C@H]1C(=O)O)c1ccc2c(c1)OCO2" . "LQEHCKYYIXQEBM-FUKIBTTHSA-N" . "InChI=1S/C33H38N2O6/c1-4-16-39-25-13-10-23(11-14-25)32-30(33(37)38)26(24-12-15-27-28(17-24)41-20-40-27)18-35(32)19-29(36)34-31-21(5-2)8-7-9-22(31)6-3/h7-15,17,26,30,32H,4-6,16,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1" . "CC(CC1NC(=O)C(NC(=O)C2CCCN2C(=O)C(NC(=O)C(NC1=O)Cc1c[nH]c2c1cccc2)CC(=O)O)C(C)C)C" . "CC(C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@H](NC1=O)Cc1c[nH]c2c1cccc2)CC(=O)O)C(C)C)C" . "VYCMAAOURFJIHD-PJNXIOHISA-N" . "InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23+,24-,26+/m0/s1" . "CC(Oc1cccnc1N(C1CCN(CC1)Cc1ccc(cc1)I)C)C" . "CC(Oc1cccnc1N(C1CCN(CC1)Cc1ccc(cc1)I)C)C" . "ZJAXDNQQFMPNAV-UHFFFAOYSA-N" . "InChI=1S/C21H28IN3O/c1-16(2)26-20-5-4-12-23-21(20)24(3)19-10-13-25(14-11-19)15-17-6-8-18(22)9-7-17/h4-9,12,16,19H,10-11,13-15H2,1-3H3" . "CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O" . "CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O" . "GOTMKOSCLKVOGG-UHFFFAOYSA-N" . "InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3" . "NCCCCC1NC(=O)C2CSSCC(NC(=O)C(CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC(=O)O)CCSC)C(O)C)CC(=O)O)CCCCN)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccc(cc1)O)C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N2)CO)N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)C(CC)C)C(C)C)CC(=O)O)CCC(=O)N)Cc1c[nH]cn1)Cc1ccccc1" . "NCCCC[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(=O)O)CCSC)[C@H](O)C)CC(=O)O)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2)CO)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)[C@H](CC)C)C(C)C)CC(=O)O)CCC(=O)N)Cc1c[nH]cn1)Cc1ccccc1" . "ZHRYDGYRZIWZPS-RAALVGGVSA-N" . "InChI=1S/C110H159N27O34S5/c1-9-55(6)88(108(168)130-77(110(170)171)40-59-45-116-64-22-14-13-21-62(59)64)136-107(167)87(54(4)5)135-102(162)76(44-86(148)149)128-93(153)67(29-31-82(114)141)121-99(159)73(41-60-46-115-52-117-60)126-106(166)81-49-174-173-48-63(113)90(150)131-78(47-138)103(163)134-79-50-175-176-51-80(105(165)123-70(37-53(2)3)96(156)124-72(39-58-25-27-61(140)28-26-58)97(157)125-71(98(158)133-81)38-57-19-11-10-12-20-57)132-94(154)68(30-32-83(142)143)120-91(151)65(23-15-17-34-111)118-101(161)75(43-85(146)147)129-109(169)89(56(7)139)137-95(155)69(33-36-172-8)122-100(160)74(42-84(144)145)127-92(152)66(119-104(79)164)24-16-18-35-112/h10-14,19-22,25-28,45-46,52-56,63,65-81,87-89,116,138-140H,9,15-18,23-24,29-44,47-51,111-113H2,1-8H3,(H2,114,141)(H,115,117)(H,118,161)(H,119,164)(H,120,151)(H,121,159)(H,122,160)(H,123,165)(H,124,156)(H,125,157)(H,126,166)(H,127,152)(H,128,153)(H,129,169)(H,130,168)(H,131,150)(H,132,154)(H,133,158)(H,134,163)(H,135,162)(H,136,167)(H,137,155)(H,142,143)(H,144,145)(H,146,147)(H,148,149)(H,170,171)/t55-,56+,63-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,87-,88-,89-/m0/s1" . "CCC(C(C(=O)NC(C(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CCC(=O)O)CC(=O)O)CCC(=O)O)CCC(=O)O)C)Cc1ccc(cc1)O)Cc1ccccc1)C)Cc1[nH]cnc1)CC(C)C)CC(=O)O)C" . "CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)[C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC(=O)O)CC(=O)O)CCC(=O)O)CCC(=O)O)C)Cc1ccc(cc1)O)Cc1ccccc1)C)Cc1[nH]cnc1)CC(C)C)CC(=O)O)C" . "DXPHNGAMYPPTBJ-TZMIJSMNSA-N" . "InChI=1S/C86H117N17O27/c1-11-44(7)71(84(127)100-63(86(129)130)35-50-39-88-54-21-17-16-20-53(50)54)103-85(128)72(45(8)12-2)102-82(125)62(38-69(114)115)98-78(121)57(32-42(3)4)96-80(123)60(36-51-40-87-41-89-51)95-73(116)46(9)91-77(120)58(33-48-18-14-13-15-19-48)97-79(122)59(34-49-22-24-52(104)25-23-49)99-83(126)70(43(5)6)101-74(117)47(10)90-75(118)55(26-29-65(106)107)93-76(119)56(27-30-66(108)109)94-81(124)61(37-68(112)113)92-64(105)28-31-67(110)111/h13-25,39-47,55-63,70-72,88,104H,11-12,26-38H2,1-10H3,(H,87,89)(H,90,118)(H,91,120)(H,92,105)(H,93,119)(H,94,124)(H,95,116)(H,96,123)(H,97,122)(H,98,121)(H,99,126)(H,100,127)(H,101,117)(H,102,125)(H,103,128)(H,106,107)(H,108,109)(H,110,111)(H,112,113)(H,114,115)(H,129,130)/t44-,45-,46-,47-,55-,56-,57-,58-,59-,60-,61-,62-,63-,70-,71-,72-/m0/s1" . "CC(CC1NC(=O)C(NC(=O)C2CCCN2C(=O)C(NC(=O)C(NC1=O)Cc1c[nH]c2c1cccc2)CC(=O)O)C(C)C)C" . "CC(C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](NC1=O)Cc1c[nH]c2c1cccc2)C(C(=O)O)[3H])C(C)C)C" . "VYCMAAOURFJIHD-HCGDBENESA-N" . "InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23-,24-,26+/m0/s1/i14T/t14?,21-,22+,23-,24-,26+" . "COc1ccc(cc1)C(=O)C(=C(c1ccc2c(c1)OCO2)C(=O)O)Cc1cc(OCCCC(=O)NCCc2ccc(c(c2)I)O)c(c(c1)OC)OC" . "COc1ccc(cc1)C(=O)/C(=C(/c1ccc2c(c1)OCO2)/C(=O)O)/Cc1cc(OCCCC(=O)NCCc2ccc(c(c2)[125I])O)c(c(c1)OC)OC" . "LKWYYULZSFFLFK-CQGCQBSQSA-N" . "InChI=1S/C39H38INO11/c1-47-27-10-7-25(8-11-27)37(44)28(36(39(45)46)26-9-13-31-32(21-26)52-22-51-31)17-24-19-33(48-2)38(49-3)34(20-24)50-16-4-5-35(43)41-15-14-23-6-12-30(42)29(40)18-23/h6-13,18-21,42H,4-5,14-17,22H2,1-3H3,(H,41,43)(H,45,46)/b36-28-/i40-2" . "CC(CC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)Cc1cn(c2c1cccc2)C)NC(=O)N1CCCCCC1)C" . "CC(C[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)O)Cc1ccc(cc1)O)Cc1cn(c2c1cccc2)C)NC(=O)N1CCCCCC1)C" . "JVILFANCFWZBFU-ZGIBFIJWSA-N" . "InChI=1S/C34H45N5O6/c1-22(2)18-27(37-34(45)39-16-8-4-5-9-17-39)31(41)35-28(20-24-21-38(3)30-11-7-6-10-26(24)30)32(42)36-29(33(43)44)19-23-12-14-25(40)15-13-23/h6-7,10-15,21-22,27-29,40H,4-5,8-9,16-20H2,1-3H3,(H,35,41)(H,36,42)(H,37,45)(H,43,44)/t27-,28+,29+/m0/s1" . "CCCCn1ncc(c1c1ccc(cc1OCc1ccccc1C(=O)O)OC)C=C(C(=O)O)Cc1cc2OCOc2cc1OC" . "CCCCn1ncc(c1c1ccc(cc1OCc1ccccc1C(=O)O)OC)/C=C(/C(=O)O)/Cc1cc2OCOc2cc1OC" . "MCHCGWZNXSZKJY-OEAKJJBVSA-N" . "InChI=1S/C34H34N2O9/c1-4-5-12-36-32(27-11-10-25(41-2)16-29(27)43-19-21-8-6-7-9-26(21)34(39)40)24(18-35-36)14-23(33(37)38)13-22-15-30-31(45-20-44-30)17-28(22)42-3/h6-11,14-18H,4-5,12-13,19-20H2,1-3H3,(H,37,38)(H,39,40)/b23-14+" . "COc1ccc(cc1)C(=O)C(=C(c1ccc2c(c1)OCO2)C(=O)[O-])Cc1cc(OC)c(c(c1)OC)OC.[Na+]" . "COc1ccc(cc1)C(=O)/C(=C(/c1ccc2c(c1)OCO2)/C(=O)[O-])/Cc1cc(OC)c(c(c1)OC)OC.[Na+]" . "ZLHQEGFYBMZQGM-RKVLWQGQSA-M" . "InChI=1S/C28H26O9.Na/c1-32-19-8-5-17(6-9-19)26(29)20(11-16-12-23(33-2)27(35-4)24(13-16)34-3)25(28(30)31)18-7-10-21-22(14-18)37-15-36-21;/h5-10,12-14H,11,15H2,1-4H3,(H,30,31);/q;+1/p-1/b25-20-;" . "CC(CC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccccn1)Cc1cn(c2c1cccc2)C)NC(=O)N1CCCCCC1)C" . "CC(C[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)O)Cc1ccccn1)Cc1cn(c2c1cccc2)C)NC(=O)N1CCCCCC1)C" . "LIOKMIQQPDDTNO-UPRLRBBYSA-N" . "InChI=1S/C33H44N6O5/c1-22(2)18-26(37-33(44)39-16-10-4-5-11-17-39)30(40)35-27(19-23-21-38(3)29-14-7-6-13-25(23)29)31(41)36-28(32(42)43)20-24-12-8-9-15-34-24/h6-9,12-15,21-22,26-28H,4-5,10-11,16-20H2,1-3H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/t26-,27+,28+/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)C(CC)C)C(CC)C)CC(=O)O)CC(C)C)Cc1nc[nH]c1)CS)Cc1ccccc1)Cc1ccc(cc1)O)C(C)C)CS)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CS)N)CO)CS)CO)CO)CC(C)C)CC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC" . "XBZLMXIYDPWXEV-IYRKOGFYSA-N" . "InChI=1S/C115H164N26O32S4/c1-11-59(9)93(113(170)132-82(115(172)173)41-64-46-120-71-27-19-17-25-68(64)71)141-114(171)94(60(10)12-2)140-105(162)81(44-91(150)151)130-99(156)75(37-57(5)6)125-103(160)79(42-65-47-118-55-121-65)128-109(166)86(52-175)137-101(158)76(38-61-22-14-13-15-23-61)126-100(157)77(39-62-29-31-66(145)32-30-62)131-112(169)92(58(7)8)139-111(168)88(54-177)136-97(154)73(33-34-89(146)147)123-96(153)72(28-20-21-35-116)122-104(161)80(43-90(148)149)129-98(155)74(36-56(3)4)124-102(159)78(40-63-45-119-70-26-18-16-24-67(63)70)127-106(163)84(49-143)134-107(164)85(50-144)135-110(167)87(53-176)138-108(165)83(48-142)133-95(152)69(117)51-174/h13-19,22-27,29-32,45-47,55-60,69,72-88,92-94,119-120,142-145,174-177H,11-12,20-21,28,33-44,48-54,116-117H2,1-10H3,(H,118,121)(H,122,161)(H,123,153)(H,124,159)(H,125,160)(H,126,157)(H,127,163)(H,128,166)(H,129,155)(H,130,156)(H,131,169)(H,132,170)(H,133,152)(H,134,164)(H,135,167)(H,136,154)(H,137,158)(H,138,165)(H,139,168)(H,140,162)(H,141,171)(H,146,147)(H,148,149)(H,150,151)(H,172,173)/t59-,60-,69-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,92-,93-,94-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)C(CC)C)C(CC)C)CC(=O)O)CC(C)C)Cc1nc[nH]c1)CS)Cc1ccccc1)Cc1ccc(cc1)O)C(C)C)CS)CCC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CS)N)CO)CS)CO)CO)CC(C)C)CCSC)CC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC" . "IWBLZZSEUHZWPR-ZTNLKOGPSA-N" . "InChI=1S/C109H163N25O32S5/c1-12-56(9)87(107(163)125-76(109(165)166)39-60-43-113-65-24-18-17-23-63(60)65)134-108(164)88(57(10)13-2)133-99(155)75(42-85(143)144)123-94(150)70(36-54(5)6)118-97(153)73(40-61-44-112-52-114-61)121-103(159)80(49-168)130-96(152)71(37-58-21-15-14-16-22-58)120-95(151)72(38-59-26-28-62(138)29-27-59)124-106(162)86(55(7)8)132-105(161)82(51-170)129-91(147)67(30-31-83(139)140)116-90(146)66(25-19-20-33-110)115-98(154)74(41-84(141)142)122-92(148)68(32-34-171-11)117-93(149)69(35-53(3)4)119-100(156)78(46-136)127-101(157)79(47-137)128-104(160)81(50-169)131-102(158)77(45-135)126-89(145)64(111)48-167/h14-18,21-24,26-29,43-44,52-57,64,66-82,86-88,113,135-138,167-170H,12-13,19-20,25,30-42,45-51,110-111H2,1-11H3,(H,112,114)(H,115,154)(H,116,146)(H,117,149)(H,118,153)(H,119,156)(H,120,151)(H,121,159)(H,122,148)(H,123,150)(H,124,162)(H,125,163)(H,126,145)(H,127,157)(H,128,160)(H,129,147)(H,130,152)(H,131,158)(H,132,161)(H,133,155)(H,134,164)(H,139,140)(H,141,142)(H,143,144)(H,165,166)/t56-,57-,64-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,86-,87-,88-/m0/s1" . "NCCCCC1NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CO)NC(=O)C(NC(=O)C2CSSCC(NC(=O)C(NC1=O)CCC(=O)O)C(=O)NC(C(C)C)C(=O)NC(Cc1ccc(cc1)O)C(=O)NC(Cc1ccccc1)C(=O)NC(CSSCC(C(=O)NC(C(=O)N2)CO)N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)C(CC)C)C(CC)C)CC(=O)O)CC(C)C)Cc1[nH]cnc1)CO)Cc1c[nH]c2c1cccc2" . "NCCCC[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC1=O)CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2)CO)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)[C@H](CC)C)[C@H](CC)C)CC(=O)O)CC(C)C)Cc1[nH]cnc1)CO)Cc1c[nH]c2c1cccc2" . "MLFJHYIHIKEBTQ-IYRKOGFYSA-N" . "InChI=1S/C115H160N26O32S4/c1-11-59(9)93(113(170)132-82(115(172)173)41-64-46-120-71-27-19-17-25-68(64)71)141-114(171)94(60(10)12-2)140-105(162)81(44-91(150)151)130-99(156)75(37-57(5)6)125-103(160)79(42-65-47-118-55-121-65)128-109(166)86-52-175-174-51-69(117)95(152)133-83(48-142)108(165)138-87-53-176-177-54-88(111(168)139-92(58(7)8)112(169)131-77(39-62-29-31-66(145)32-30-62)100(157)126-76(101(158)137-86)38-61-22-14-13-15-23-61)136-97(154)73(33-34-89(146)147)123-96(153)72(28-20-21-35-116)122-104(161)80(43-90(148)149)129-98(155)74(36-56(3)4)124-102(159)78(40-63-45-119-70-26-18-16-24-67(63)70)127-106(163)84(49-143)134-107(164)85(50-144)135-110(87)167/h13-19,22-27,29-32,45-47,55-60,69,72-88,92-94,119-120,142-145H,11-12,20-21,28,33-44,48-54,116-117H2,1-10H3,(H,118,121)(H,122,161)(H,123,153)(H,124,159)(H,125,160)(H,126,157)(H,127,163)(H,128,166)(H,129,155)(H,130,156)(H,131,169)(H,132,170)(H,133,152)(H,134,164)(H,135,167)(H,136,154)(H,137,158)(H,138,165)(H,139,168)(H,140,162)(H,141,171)(H,146,147)(H,148,149)(H,150,151)(H,172,173)/t59-,60-,69-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,92-,93-,94-/m0/s1" . "NCCCCC1NC(=O)C(CC(=O)O)NC(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(NC(=O)C2CSSCC(NC(=O)C(NC1=O)CCC(=O)O)C(=O)NC(C(C)C)C(=O)NC(Cc1ccc(cc1)O)C(=O)NC(Cc1ccccc1)C(=O)NC(CSSCC(C(=O)NC(C(=O)N2)CO)N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)C(CC)C)C(CC)C)CC(=O)O)CC(C)C)Cc1cnc[nH]1)CO" . "NCCCC[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC1=O)CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2)CO)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)[C@H](CC)C)[C@H](CC)C)CC(=O)O)CC(C)C)Cc1cnc[nH]1)CO" . "ZUBDGKVDJUIMQQ-ZTNLKOGPSA-N" . "InChI=1S/C109H159N25O32S5/c1-12-56(9)87(107(163)125-76(109(165)166)39-60-43-113-65-24-18-17-23-63(60)65)134-108(164)88(57(10)13-2)133-99(155)75(42-85(143)144)123-94(150)70(36-54(5)6)118-97(153)73(40-61-44-112-52-114-61)121-103(159)80-49-169-168-48-64(111)89(145)126-77(45-135)102(158)131-81-50-170-171-51-82(105(161)132-86(55(7)8)106(162)124-72(38-59-26-28-62(138)29-27-59)95(151)120-71(96(152)130-80)37-58-21-15-14-16-22-58)129-91(147)67(30-31-83(139)140)116-90(146)66(25-19-20-33-110)115-98(154)74(41-84(141)142)122-92(148)68(32-34-167-11)117-93(149)69(35-53(3)4)119-100(156)78(46-136)127-101(157)79(47-137)128-104(81)160/h14-18,21-24,26-29,43-44,52-57,64,66-82,86-88,113,135-138H,12-13,19-20,25,30-42,45-51,110-111H2,1-11H3,(H,112,114)(H,115,154)(H,116,146)(H,117,149)(H,118,153)(H,119,156)(H,120,151)(H,121,159)(H,122,148)(H,123,150)(H,124,162)(H,125,163)(H,126,145)(H,127,157)(H,128,160)(H,129,147)(H,130,152)(H,131,158)(H,132,161)(H,133,155)(H,134,164)(H,139,140)(H,141,142)(H,143,144)(H,165,166)/t56-,57-,64-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,86-,87-,88-/m0/s1" . "CCC(C1C(=O)N2CCCC2C2(N1C(=O)C(O2)(NC(=O)C1CN(C)C2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C" . "CC[C@@H]([C@@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C" . "YYWXOXLDOMRDHW-SGVWFJRMSA-N" . "InChI=1S/C32H41N5O5/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,13,15,17-18,20,24-25,27,33,41H,6,8,11-12,14,16H2,1-5H3,(H,34,38)/t18-,20+,24+,25-,27+,31+,32-/m0/s1" . "Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O" . "Oc1ccc(cc1)[C@H]1CNCCc2c1cc(O)c(c2Cl)O" . "TVURRHSHRRELCG-CYBMUJFWSA-N" . "InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2/t13-/m1/s1" . "COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl" . "COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl" . "KRVOJOCLBAAKSJ-UHFFFAOYSA-N" . "InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)" . "CCCNC1CCc2c(C1)sc(n2)N" . "CCCN[C@H]1CCc2c(C1)sc(n2)N" . "FASDKYOPVNHBLU-ZETCQYMHSA-N" . "InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1" . "OCCN1CCN(CC1)CCC=C1c2ccccc2Sc2c1cc(cc2)C(F)(F)F" . "OCCN1CCN(CC1)CC/C=C/1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F" . "NJMYODHXAKYRHW-DVZOWYKESA-N" . "InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5-" . "Fc1ccc(cc1)OCC1CCC2N(C1)CCN(C2)c1ncc(cn1)F" . "Fc1ccc(cc1)OC[C@@H]1CC[C@@H]2N(C1)CCN(C2)c1ncc(cn1)F" . "QXWNESOGWFJDFR-PBHICJAKSA-N" . "InChI=1S/C19H22F2N4O/c20-15-2-5-18(6-3-15)26-13-14-1-4-17-12-25(8-7-24(17)11-14)19-22-9-16(21)10-23-19/h2-3,5-6,9-10,14,17H,1,4,7-8,11-13H2/t14-,17+/m1/s1" . "N#Cc1ccccc1N1CCN(CC1)CNC(=O)c1cccc(c1)C" . "N#Cc1ccccc1N1CCN(CC1)CNC(=O)c1cccc(c1)C" . "DNULYRGWTFLJQL-UHFFFAOYSA-N" . "InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)" . "Clc1ccc(cc1)N1CCN(CC1)Cc1cc2n(n1)cccc2" . "Clc1ccc(cc1)N1CCN(CC1)Cc1cc2n(n1)cccc2" . "DTRXURJDKOYCCD-UHFFFAOYSA-N" . "InChI=1S/C18H19ClN4/c19-15-4-6-17(7-5-15)22-11-9-21(10-12-22)14-16-13-18-3-1-2-8-23(18)20-16/h1-8,13H,9-12,14H2" . "Fc1ccc2c(c1)cc([nH]2)CN1CCN(CC1)c1ccccn1" . "Fc1ccc2c(c1)cc([nH]2)CN1CCN(CC1)c1ccccn1" . "PQOIDBZLMJMYCD-UHFFFAOYSA-N" . "InChI=1S/C18H19FN4/c19-15-4-5-17-14(11-15)12-16(21-17)13-22-7-9-23(10-8-22)18-3-1-2-6-20-18/h1-6,11-12,21H,7-10,13H2" . "CCCNC1CCc2c(C1C)cccc2OC" . "CCCN[C@@H]1CCc2c([C@@H]1C)cccc2OC" . "YGHLYBIUVOLKCV-SMDDNHRTSA-N" . "InChI=1S/C15H23NO/c1-4-10-16-14-9-8-13-12(11(14)2)6-5-7-15(13)17-3/h5-7,11,14,16H,4,8-10H2,1-3H3/t11-,14+/m0/s1" . "CCCN1CCc2c3C1Cc1ccc(c(c1c3ccc2)O)O" . "CCCN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O" . "BTGAJCKRXPNBFI-OAHLLOKOSA-N" . "InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1" . "OCCN1CCN(CC1)CCC=C1c2ccccc2Sc2c1cc(cc2)C(F)(F)F" . "OCCN1CCN(CC1)CC/C=C/1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F" . "NJMYODHXAKYRHW-BLLMUTORSA-N" . "InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+" . "CCN1CCCC1CNC(=O)c1c(O)c(CC)cc(c1OC)Cl" . "CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(c1OC)Cl" . "AADCDMQTJNYOSS-LBPRGKRZSA-N" . "InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1" . "Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2" . "Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2" . "FGXWKSZFVQUSTL-UHFFFAOYSA-N" . "InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)" . "CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC" . "CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC" . "NTJOBXMMWNYJFB-UHFFFAOYSA-N" . "InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)" . "COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl" . "COc1cc(NC)c(cc1C(=O)N[C@@H]1CCN([C@@H]1C)Cc1ccccc1)Cl" . "KRVOJOCLBAAKSJ-RDTXWAMCSA-N" . "InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)/t14-,18-/m1/s1" . "CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N" . "CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N" . "BGRJTUBHPOOWDU-LLVKDONJSA-N" . "InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m1/s1" . "CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N" . "CCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(=O)(=O)N" . "BGRJTUBHPOOWDU-NSHDSACASA-N" . "InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1" . "CCCN(C1C=Cc2c(C1C)cccc2OC)CCC" . "CCCN([C@@H]1C=Cc2c([C@@H]1C)cccc2OC)CCC" . "YNNTVNSZMGTKJL-WMLDXEAASA-N" . "InChI=1S/C18H27NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-11,14,17H,5-6,12-13H2,1-4H3/t14-,17+/m0/s1" . "CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O" . "CN1CCc2c([C@@H](C1)c1ccccc1)cc(c(c2)Cl)O" . "GOTMKOSCLKVOGG-HNNXBMFYSA-N" . "InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m0/s1" . "CCCN(C1CCc2c(C1)cc1c(c2)CCO1)CCC" . "CCCN(C1CCc2c(C1)cc1c(c2)CCO1)CCC" . "IJICKINLCUKIHY-UHFFFAOYSA-N" . "InChI=1S/C18H27NO/c1-3-8-19(9-4-2)17-6-5-14-11-15-7-10-20-18(15)13-16(14)12-17/h11,13,17H,3-10,12H2,1-2H3" . "CCCN1CCCC2C1Cc1cnc(nc1C2)N" . "CCCN1CCC[C@H]2[C@H]1Cc1cnc(nc1C2)N" . "TUFADSGTJUOBEH-ZWNOBZJWSA-N" . "InChI=1S/C14H22N4/c1-2-5-18-6-3-4-10-7-12-11(8-13(10)18)9-16-14(15)17-12/h9-10,13H,2-8H2,1H3,(H2,15,16,17)/t10-,13-/m1/s1" . "CCCN1CCOC2C1COc1c2cc(cc1)O" . "CCCN1CCO[C@@H]2[C@@H]1COc1c2cc(cc1)O" . "YOILXOMTHPUMRG-JSGCOSHPSA-N" . "InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m0/s1" . "OCCCc1ccc(cc1)OCC(CNC(C)C)O" . "OCCCc1ccc(cc1)OCC(CNC(C)C)O" . "RUZBBQNQBDCLPE-UHFFFAOYSA-N" . "InChI=1S/C15H25NO3/c1-12(2)16-10-14(18)11-19-15-7-5-13(6-8-15)4-3-9-17/h5-8,12,14,16-18H,3-4,9-11H2,1-2H3" . "CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)I)O" . "CN1CCc2c([C@H](C1)c1ccccc1)cc(c(c2)[125I])O" . "JGBTWNOVLISURM-QFLNOARHSA-N" . "InChI=1S/C17H18INO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1/i18-2" . "CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Br)O" . "CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Br)O" . "XFTVOHWWEQGXLS-UHFFFAOYSA-N" . "InChI=1S/C17H18BrNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3" . "CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O" . "CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O" . "GOTMKOSCLKVOGG-UHFFFAOYSA-N" . "InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3" . "CCCN(C1CCc2c(C1)cccc2O)CCc1cccs1" . "CCCN([C@H]1CCc2c(C1)cccc2O)CCc1cccs1" . "KFQYTPMOWPVWEJ-INIZCTEOSA-N" . "InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1" . "NCCc1ccc(c(c1)O)O" . "NCCc1ccc(c(c1)O)O" . "VYFYYTLLBUKUHU-UHFFFAOYSA-N" . "InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2" . "Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O" . "Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O" . "TVURRHSHRRELCG-UHFFFAOYSA-N" . "InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2" . "Oc1c(O)cc2c(c1Cl)CCNCC2c1ccccc1" . "Oc1c(O)cc2c(c1Cl)CCNCC2c1ccccc1" . "GHWJEDJMOVUXEC-UHFFFAOYSA-N" . "InChI=1S/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2" . "CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)O)O" . "CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)O)O" . "LIHCKGZEDBNUJG-UHFFFAOYSA-N" . "InChI=1S/C17H19NO2/c1-18-8-7-13-9-16(19)17(20)10-14(13)15(11-18)12-5-3-2-4-6-12/h2-6,9-10,15,19-20H,7-8,11H2,1H3" . "Oc1cc2CCNCC(c2cc1O)c1ccccc1" . "Oc1cc2CCNCC(c2cc1O)c1ccccc1" . "JUDKOGFHZYMDMF-UHFFFAOYSA-N" . "InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2" . "CCCN1CCc2c3C1Cc1ccc(c(c1c3ccc2)O)O" . "CCCN1CCc2c3C1Cc1ccc(c(c1c3ccc2)O)O" . "BTGAJCKRXPNBFI-UHFFFAOYSA-N" . "InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3" . "Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2Cl)O" . "Oc1ccc(cc1)[C@@H]1CNCCc2c1cc(O)c(c2Cl)O" . "TVURRHSHRRELCG-ZDUSSCGKSA-N" . "InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2/t13-/m0/s1" . "NC1CCc2c(C1)cc(c(c2)O)O" . "NC1CCc2c(C1)cc(c(c2)O)O" . "ASXGAOFCKGHGMF-UHFFFAOYSA-N" . "InChI=1S/C10H13NO2/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8/h4-5,8,12-13H,1-3,11H2" . "CCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC1=O)C)Cc1nc[nH]c1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(CC)C)C(=O)N)C(CC)C)CCC(=O)O)CCCC)CC(C)C)CCCCN)CCCNC(=N)N)CC(=O)N)CCC(=O)N)C)CC(C)C)CCC(=O)N)CCC(=O)O)C)CCCNC(=N)N)C)NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)N)Cc1nc[nH]c1)CC(C)C)CC(C)C)CCCNC(=N)N)CCC(=O)O)CC(C)C)CCC(=O)O" . "CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C)Cc1nc[nH]c1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)N)[C@H](CC)C)CCC(=O)O)CCCC)CC(C)C)CCCCN)CCCNC(=N)N)CC(=O)N)CCC(=O)N)C)CC(C)C)CCC(=O)N)CCC(=O)O)C)CCCNC(=N)N)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)N)Cc1nc[nH]c1)CC(C)C)CC(C)C)CCCNC(=N)N)CCC(=O)O)CC(C)C)CCC(=O)O" . "HPYIIXJJVYSMCV-MGDXKYBTSA-N" . "InChI=1S/C161H269N49O42/c1-23-27-41-96(189-145(239)107(52-59-123(217)218)199-152(246)114(71-84(13)14)207-157(251)126(85(15)16)208-147(241)108(53-60-124(219)220)197-140(234)102(47-38-66-179-161(172)173)193-151(245)112(69-82(9)10)204-153(247)113(70-83(11)12)205-155(249)116(74-94-77-175-79-181-94)201-134(228)95(163)72-92-39-30-29-31-40-92)135(229)182-88(19)130(224)186-100(45-36-64-177-159(168)169)136(230)183-89(20)131(225)188-106(51-58-122(215)216)144(238)195-104(49-56-119(165)212)146(240)202-110(67-80(5)6)149(243)185-90(21)132(226)187-103(48-55-118(164)211)143(237)196-105-50-57-121(214)176-63-35-33-44-99(192-154(248)115(73-93-76-174-78-180-93)200-133(227)91(22)184-137(105)231)142(236)206-117(75-120(166)213)156(250)194-101(46-37-65-178-160(170)171)139(233)190-98(43-32-34-62-162)141(235)203-111(68-81(7)8)150(244)191-97(42-28-24-2)138(232)198-109(54-61-125(221)222)148(242)210-128(87(18)26-4)158(252)209-127(129(167)223)86(17)25-3/h29-31,39-40,76-91,95-117,126-128H,23-28,32-38,41-75,162-163H2,1-22H3,(H2,164,211)(H2,165,212)(H2,166,213)(H2,167,223)(H,174,180)(H,175,181)(H,176,214)(H,182,229)(H,183,230)(H,184,231)(H,185,243)(H,186,224)(H,187,226)(H,188,225)(H,189,239)(H,190,233)(H,191,244)(H,192,248)(H,193,245)(H,194,250)(H,195,238)(H,196,237)(H,197,234)(H,198,232)(H,199,246)(H,200,227)(H,201,228)(H,202,240)(H,203,235)(H,204,247)(H,205,249)(H,206,236)(H,207,251)(H,208,241)(H,209,252)(H,210,242)(H,215,216)(H,217,218)(H,219,220)(H,221,222)(H4,168,169,177)(H4,170,171,178)(H4,172,173,179)/t86-,87-,88-,89-,90-,91-,95+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,126-,127-,128-/m0/s1" . "OC(=O)Cn1c(cc2c1cccc2)C(=O)Nc1scc(n1)c1ccccc1Cl" . "OC(=O)Cn1c(cc2c1cccc2)C(=O)Nc1scc(n1)c1ccccc1Cl" . "ILNRQFBVVQUOLP-UHFFFAOYSA-N" . "InChI=1S/C20H14ClN3O3S/c21-14-7-3-2-6-13(14)15-11-28-20(22-15)23-19(27)17-9-12-5-1-4-8-16(12)24(17)10-18(25)26/h1-9,11H,10H2,(H,25,26)(H,22,23,27)" . "OC(=O)CC(NC(=O)C(Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1" . "OC(=O)C[C@@H](NC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1" . "PGOLWKTUHWHYJS-SFMDGOMNSA-N" . "InChI=1S/C33H39N3O5/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,31(39)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-32(40)41-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,19,21-24,26,30,34H,11-18H2,1H3,(H,35,39)(H,36,40)(H,37,38)/t21?,22?,23?,24?,26-,30?,33+/m0/s1" . "Brc1ccc(cc1)NC(=O)N1NC(=O)C(C1c1ccccc1)c1ccccc1" . "Brc1ccc(cc1)NC(=O)N1NC(=O)[C@@H]([C@H]1c1ccccc1)c1ccccc1" . "LMUQHXHWJWQXSD-WOJBJXKFSA-N" . "InChI=1S/C22H18BrN3O2/c23-17-11-13-18(14-12-17)24-22(28)26-20(16-9-5-2-6-10-16)19(21(27)25-26)15-7-3-1-4-8-15/h1-14,19-20H,(H,24,28)(H,25,27)/t19-,20-/m1/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C)CCC(=O)O)CCC(=O)O)CC(C)C)CC(C)C)CC(C)C)CCCN=C(N)N)CC(=O)N)CC(C)C)C)C)CCC(=O)N)CCC(=O)O)C)CCC(=O)O)CCC(=O)N)CCC(=O)O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(CC(=O)O)N)CC(C)C)Cc1ccccc1)Cc1nc[nH]c1)CC(C)C)CC(C)C)CCCN=C(N)N)CCC(=O)O)CCSC)CC(C)C)CCC(=O)O)CCSC)C " . "CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)O" . "TYEPJUPPTULOKD-GVKLFNHCSA-N" . "InChI=1S/C166H273N45O54S2/c1-77(2)63-109(155(255)209-119(74-122(171)215)161(261)190-97(37-32-60-178-166(174)175)144(244)202-113(67-81(9)10)156(256)206-114(68-82(11)12)157(257)205-112(66-80(7)8)154(254)196-105(45-54-128(226)227)148(248)194-101(41-50-124(218)219)141(241)185-90(22)164(264)265)200-136(236)86(18)180-132(232)85(17)181-139(239)98(38-47-120(169)213)191-146(246)102(42-51-125(220)221)187-135(235)89(21)183-140(240)100(40-49-123(216)217)193-145(245)99(39-48-121(170)214)192-147(247)103(43-52-126(222)223)188-134(234)88(20)182-138(238)95(35-29-30-58-167)186-133(233)87(19)184-142(242)107(56-61-266-24)198-150(250)106(46-55-129(228)229)197-153(253)110(64-78(3)4)203-151(251)108(57-62-267-25)199-149(249)104(44-53-127(224)225)195-143(243)96(36-31-59-177-165(172)173)189-152(252)111(65-79(5)6)204-158(258)115(69-83(13)14)207-160(260)118(72-93-75-176-76-179-93)208-159(259)117(71-92-33-27-26-28-34-92)210-163(263)131(91(23)212)211-162(262)116(70-84(15)16)201-137(237)94(168)73-130(230)231/h26-28,33-34,75-91,94-119,131,212H,29-32,35-74,167-168H2,1-25H3,(H2,169,213)(H2,170,214)(H2,171,215)(H,176,179)(H,180,232)(H,181,239)(H,182,238)(H,183,240)(H,184,242)(H,185,241)(H,186,233)(H,187,235)(H,188,234)(H,189,252)(H,190,261)(H,191,246)(H,192,247)(H,193,245)(H,194,248)(H,195,243)(H,196,254)(H,197,253)(H,198,250)(H,199,249)(H,200,236)(H,201,237)(H,202,244)(H,203,251)(H,204,258)(H,205,257)(H,206,256)(H,207,260)(H,208,259)(H,209,255)(H,210,263)(H,211,262)(H,216,217)(H,218,219)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,264,265)(H4,172,173,177)(H4,174,175,178)/t85-,86-,87-,88-,89-,90-,91+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,131-/m0/s1" . "CCC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)C(C)C)CO)CC(=O)O)Cc1ccccc1)C(CC)C)C(CC)C)CCCN=C(N)N)CC(=O)N)CCC(=O)N)CCC(=O)O)C)CCCN=C(N)N)CCC(=O)O)CCCN=C(N)N)CCC(=O)N)CO)CCC(=O)N)C(O)C)CCCN=C(N)N)C)CC(C)C)CCC(=O)O)CC(C)C)CC(C)C)C(O)C)CCCN=C(N)N)CC(C)C)CC(C)C)Cc1nc[nH]c1)Cc1ccccc1)C(O)C)CC(C)C)CC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(NC(=O)C(CC(=O)O)N)CC(=O)O)CC(C)C)CO)C" . "CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)C(C)C)CO)CC(=O)O)Cc1ccccc1)[C@H](CC)C)[C@H](CC)C)CCCN=C(N)N)CC(=O)N)CCC(=O)N)CCC(=O)O)C)CCCN=C(N)N)CCC(=O)O)CCCN=C(N)N)CCC(=O)N)CO)CCC(=O)N)[C@H](O)C)CCCN=C(N)N)C)CC(C)C)CCC(=O)O)CC(C)C)CC(C)C)[C@H](O)C)CCCN=C(N)N)CC(C)C)CC(C)C)Cc1nc[nH]c1)Cc1ccccc1)[C@H](O)C)CC(C)C)CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)CC(=O)O)CC(C)C)CO)C" . "NLXKHYTZYFPOSU-MLGORUQISA-N" . "InChI=1S/C206H338N62O64/c1-28-102(20)156(262-192(323)141(92-271)258-182(313)129(78-98(12)13)251-193(324)142-53-42-72-267(142)201(332)143-54-43-73-268(143)200(331)138(88-154(291)292)256-165(296)113(207)84-151(285)286)194(325)255-137(87-153(289)290)187(318)247-131(80-100(16)17)189(320)266-161(109(27)274)199(330)254-133(82-111-46-35-32-36-47-111)183(314)248-134(83-112-89-223-93-229-112)185(316)246-128(77-97(10)11)180(311)244-126(75-95(6)7)178(309)236-118(52-41-71-228-206(221)222)176(307)265-160(108(26)273)198(329)252-130(79-99(14)15)181(312)245-127(76-96(8)9)179(310)240-124(60-66-150(283)284)172(303)243-125(74-94(4)5)177(308)231-106(24)163(294)232-116(50-39-69-226-204(217)218)175(306)264-159(107(25)272)197(328)242-121(57-63-146(210)277)173(304)257-139(90-269)190(321)241-119(55-61-144(208)275)168(299)235-115(49-38-68-225-203(215)216)167(298)239-123(59-65-149(281)282)170(301)234-114(48-37-67-224-202(213)214)166(297)230-105(23)164(295)233-122(58-64-148(279)280)169(300)238-120(56-62-145(209)276)171(302)249-135(85-147(211)278)186(317)237-117(51-40-70-227-205(219)220)174(305)261-158(104(22)30-3)196(327)263-157(103(21)29-2)195(326)253-132(81-110-44-33-31-34-45-110)184(315)250-136(86-152(287)288)188(319)259-140(91-270)191(322)260-155(101(18)19)162(212)293/h31-36,44-47,89,93-109,113-143,155-161,269-274H,28-30,37-43,48-88,90-92,207H2,1-27H3,(H2,208,275)(H2,209,276)(H2,210,277)(H2,211,278)(H2,212,293)(H,223,229)(H,230,297)(H,231,308)(H,232,294)(H,233,295)(H,234,301)(H,235,299)(H,236,309)(H,237,317)(H,238,300)(H,239,298)(H,240,310)(H,241,321)(H,242,328)(H,243,303)(H,244,311)(H,245,312)(H,246,316)(H,247,318)(H,248,314)(H,249,302)(H,250,315)(H,251,324)(H,252,329)(H,253,326)(H,254,330)(H,255,325)(H,256,296)(H,257,304)(H,258,313)(H,259,319)(H,260,322)(H,261,305)(H,262,323)(H,263,327)(H,264,306)(H,265,307)(H,266,320)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H,289,290)(H,291,292)(H4,213,214,224)(H4,215,216,225)(H4,217,218,226)(H4,219,220,227)(H4,221,222,228)/t102-,103-,104-,105-,106-,107+,108+,109+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,155-,156-,157-,158-,159-,160-,161-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(CC)C)C(=O)N)C(O)C)CC(=O)O)CC(C)C)CC(C)C)CC(C)C)CCCN=C(N)N)CC(=O)N)CC(=O)N)C)C)CCC(=O)N)CCC(=O)N)CCCCN)CCC(=O)O)CCCCN)CCC(=O)O)CCC(=O)N)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)CNC(=O)C1CCC(=O)N1)CO)CC(=O)O)CC(C)C)CO)CC(C)C)CCC(=O)O)CC(C)C)CC(C)C)CCCN=C(N)N)CCCCN)CCSC)CCC(=O)O)CCC(=O)O" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)N)[C@H](O)C)CC(=O)O)CC(C)C)CC(C)C)CC(C)C)CCCN=C(N)N)CC(=O)N)CC(=O)N)C)C)CCC(=O)N)CCC(=O)N)CCCCN)CCC(=O)O)CCCCN)CCC(=O)O)CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC(=O)N1)CO)CC(=O)O)CC(C)C)CO)CC(C)C)CCC(=O)O)CC(C)C)CC(C)C)CCCN=C(N)N)CCCCN)CCSC)CCC(=O)O)CCC(=O)O" . "ILCVKEBXPLEGOY-ZLFMSJRASA-N" . "InChI=1S/C202H346N56O63S/c1-29-103(20)156(162(212)283)251-199(320)161(110(27)261)256-191(312)137(92-155(281)282)247-186(307)132(87-101(16)17)243-185(306)131(86-100(14)15)242-183(304)129(84-98(10)11)239-172(293)116(51-43-78-218-202(215)216)228-188(309)135(90-146(211)266)246-189(310)134(89-145(210)265)238-164(285)109(26)220-163(284)108(25)221-166(287)118(54-63-142(207)262)229-173(294)119(55-64-143(208)263)230-167(288)111(46-34-38-73-203)224-175(296)121(58-67-149(269)270)232-169(290)113(48-36-40-75-205)225-176(297)122(59-68-150(271)272)233-174(295)120(56-65-144(209)264)231-168(289)112(47-35-39-74-204)226-177(298)124(61-70-152(275)276)236-195(316)157(104(21)30-2)252-179(300)125(62-71-153(277)278)237-196(317)158(105(22)31-3)253-180(301)126(72-81-322-28)235-170(291)114(49-37-41-76-206)223-171(292)115(50-42-77-217-201(213)214)227-181(302)127(82-96(6)7)241-184(305)130(85-99(12)13)240-178(299)123(60-69-151(273)274)234-182(303)128(83-97(8)9)245-192(313)138(94-259)249-187(308)133(88-102(18)19)244-190(311)136(91-154(279)280)248-197(318)159(106(23)32-4)254-193(314)139(95-260)250-198(319)160(107(24)33-5)255-194(315)140-52-44-80-258(140)200(321)141-53-45-79-257(141)148(268)93-219-165(286)117-57-66-147(267)222-117/h96-141,156-161,259-261H,29-95,203-206H2,1-28H3,(H2,207,262)(H2,208,263)(H2,209,264)(H2,210,265)(H2,211,266)(H2,212,283)(H,219,286)(H,220,284)(H,221,287)(H,222,267)(H,223,292)(H,224,296)(H,225,297)(H,226,298)(H,227,302)(H,228,309)(H,229,294)(H,230,288)(H,231,289)(H,232,290)(H,233,295)(H,234,303)(H,235,291)(H,236,316)(H,237,317)(H,238,285)(H,239,293)(H,240,299)(H,241,305)(H,242,304)(H,243,306)(H,244,311)(H,245,313)(H,246,310)(H,247,307)(H,248,318)(H,249,308)(H,250,319)(H,251,320)(H,252,300)(H,253,301)(H,254,314)(H,255,315)(H,256,312)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H4,213,214,217)(H4,215,216,218)/t103-,104-,105-,106-,107-,108-,109-,110+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,156-,157-,158-,159-,160-,161-/m0/s1" . "CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)N)O" . "CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O" . "DUYSYHSSBDVJSM-KRWOKUGFSA-N" . "InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1" . "OC1CC=CCC(C)C2C(SCC2C(=O)C2=C(OC3(C(CC=CC=CC1)C=C(C)C(C3)C)C2=O)O)C(=O)C(=O)O" . "OC1C/C=C/CC(C)C2C(SCC2C(=O)C2=C(OC3(C(C/C=C/C=C/C1)C=C(C)C(C3)C)C2=O)O)C(=O)C(=O)O" . "RMYJUZDMOJDYES-SFYXYOTASA-N" . "InChI=1S/C31H38O8S/c1-17-10-8-9-13-21(32)12-7-5-4-6-11-20-14-18(2)19(3)15-31(20)28(35)24(30(38)39-31)25(33)22-16-40-27(23(17)22)26(34)29(36)37/h4-9,14,17,19-23,27,32,38H,10-13,15-16H2,1-3H3,(H,36,37)/b6-4+,7-5+,9-8+" . "OC(=O)CC(c1cccc2c1cccc2)CC(=O)Nc1c(C)cc(cc1C(=O)N1CCC2(CC1)CCCC2)C" . "OC(=O)C[C@H](c1cccc2c1cccc2)CC(=O)Nc1c(C)cc(cc1C(=O)N1CCC2(CC1)CCCC2)C" . "MFOOVZCXWVAWOV-RUZDIDTESA-N" . "InChI=1S/C33H38N2O4/c1-22-18-23(2)31(28(19-22)32(39)35-16-14-33(15-17-35)12-5-6-13-33)34-29(36)20-25(21-30(37)38)27-11-7-9-24-8-3-4-10-26(24)27/h3-4,7-11,18-19,25H,5-6,12-17,20-21H2,1-2H3,(H,34,36)(H,37,38)/t25-/m1/s1" . "O=C(C(NC(=O)c1cc2cc[nH]c2cc1C(=O)NCC12CC3CC(C2)CC(C1)C3)Cc1ccccc1)Nc1cc(cc(c1)C(=O)O)C(=O)O" . "O=C([C@@H](NC(=O)c1cc2cc[nH]c2cc1C(=O)NCC12CC3CC(C2)CC(C1)C3)Cc1ccccc1)Nc1cc(cc(c1)C(=O)O)C(=O)O" . "DKYQJTXTKSMTHK-FGLZHOHTSA-N" . "InChI=1S/C38H38N4O7/c43-33(40-20-38-17-22-8-23(18-38)10-24(9-22)19-38)30-16-31-25(6-7-39-31)15-29(30)34(44)42-32(11-21-4-2-1-3-5-21)35(45)41-28-13-26(36(46)47)12-27(14-28)37(48)49/h1-7,12-16,22-24,32,39H,8-11,17-20H2,(H,40,43)(H,41,45)(H,42,44)(H,46,47)(H,48,49)/t22?,23?,24?,32-,38?/m0/s1" . "O=C(NC1CN(C2CCCCC2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2)Nc1cccc(c1)C(=O)O" . "O=C(N[C@@H]1CN(C2CCCCC2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2)Nc1cccc(c1)C(=O)O" . "VIJCCFFEBCOOIE-JOCHJYFZSA-N" . "InChI=1S/C29H36N4O5/c1-29(2,3)25(34)18-33-24-15-8-7-14-23(24)32(21-12-5-4-6-13-21)17-22(26(33)35)31-28(38)30-20-11-9-10-19(16-20)27(36)37/h7-11,14-16,21-22H,4-6,12-13,17-18H2,1-3H3,(H,36,37)(H2,30,31,38)/t22-/m1/s1" . "O=C(Nc1cccc(c1)CC(=O)O)NCC(=O)N(c1ccccc1)CC(=O)N(c1ccccc1)C" . "O=C(Nc1cccc(c1)CC(=O)O)NCC(=O)N(c1ccccc1)CC(=O)N(c1ccccc1)C" . "CRUWRCOXWORZBA-UHFFFAOYSA-N" . "InChI=1S/C26H26N4O5/c1-29(21-11-4-2-5-12-21)24(32)18-30(22-13-6-3-7-14-22)23(31)17-27-26(35)28-20-10-8-9-19(15-20)16-25(33)34/h2-15H,16-18H2,1H3,(H,33,34)(H2,27,28,35)" . "OC(=O)CC(NC(=O)C(Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccc(cc1)F" . "OC(=O)CC(NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccc(cc1)F" . "UZOOGOCMUARFDV-KEZCGYQASA-N" . "InChI=1S/C33H38FN3O5/c1-33(17-24-18-35-28-5-3-2-4-27(24)28,31(40)36-26(16-29(38)39)15-19-6-8-25(34)9-7-19)37-32(41)42-30-22-11-20-10-21(13-22)14-23(30)12-20/h2-9,18,20-23,26,30,35H,10-17H2,1H3,(H,36,40)(H,37,41)(H,38,39)/t20?,21?,22?,23?,26?,30?,33-/m0/s1" . "OC(=O)CC(NC(=O)C(Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1" . "OC(=O)C[C@H](NC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)Cc1ccccc1" . "PGOLWKTUHWHYJS-KUAXMQRVSA-N" . "InChI=1S/C33H39N3O5/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,31(39)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-32(40)41-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,19,21-24,26,30,34H,11-18H2,1H3,(H,35,39)(H,36,40)(H,37,38)/t21?,22?,23?,24?,26-,30?,33+/m1/s1" . "CCOC(CN1c2ccccc2C(C1=O)(CC(=O)Nc1ccc(cc1)C)NC(=O)Nc1ccc(cc1)C)OCC" . "CCOC(CN1c2ccccc2[C@@](C1=O)(CC(=O)Nc1ccc(cc1)C)NC(=O)Nc1ccc(cc1)C)OCC" . "KOLPMNSDISYEBU-WJOKGBTCSA-N" . "InChI=1S/C31H36N4O5/c1-5-39-28(40-6-2)20-35-26-10-8-7-9-25(26)31(29(35)37,19-27(36)32-23-15-11-21(3)12-16-23)34-30(38)33-24-17-13-22(4)14-18-24/h7-18,28H,5-6,19-20H2,1-4H3,(H,32,36)(H2,33,34,38)/t31-/m1/s1" . "CCCCC(N(C(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CC(=O)O)C)C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O" . "CCCC[C@H](N(C(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CC(=O)O)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O" . "QUSCQANKQSFCGJ-FWEHEUNISA-N" . "InChI=1S/C34H42N6O9/c1-3-4-14-27(33(48)39-25(17-29(42)43)32(47)38-24(31(35)46)15-20-10-6-5-7-11-20)40(2)34(49)26(37-28(41)18-30(44)45)16-21-19-36-23-13-9-8-12-22(21)23/h5-13,19,24-27,36H,3-4,14-18H2,1-2H3,(H2,35,46)(H,37,41)(H,38,47)(H,39,48)(H,42,43)(H,44,45)/t24-,25-,26-,27-/m0/s1" . "CCCCC(NC(=O)C(Cc1ccc(cc1)OS(=O)(=O)O)NC(=O)CC)NCC(=O)C(=O)NC(C(=O)NC(=O)C(NC(=O)C(NC(=O)C(CCCC)NC)CC(=O)O)Cc1ccccc1)Cc1c[nH]c2c1cccc2" . "CCCC[C@H](NC(=O)[C@@H](NC(=O)C(C([3H])([3H])[3H])([3H])[3H])Cc1ccc(cc1)OS(=O)(=O)O)NCC(=O)C(=O)N[C@H](C(=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCC)NC)CC(=O)O)Cc1ccccc1)Cc1c[nH]c2c1cccc2" . "VNNMDTHCFFZSSJ-LWSGDBLMSA-N" . "InChI=1S/C51H67N9O14S/c1-5-8-18-37(52-4)46(65)57-41(28-45(63)64)47(66)56-39(25-31-15-11-10-12-16-31)49(68)60-50(69)40(27-33-29-53-36-19-14-13-17-35(33)36)58-51(70)42(61)30-54-43(20-9-6-2)59-48(67)38(55-44(62)7-3)26-32-21-23-34(24-22-32)74-75(71,72)73/h10-17,19,21-24,29,37-41,43,52-54H,5-9,18,20,25-28,30H2,1-4H3,(H,55,62)(H,56,66)(H,57,65)(H,58,70)(H,59,67)(H,63,64)(H,60,68,69)(H,71,72,73)/t37-,38-,39-,40-,41-,43-/m0/s1/i3T3,7T2" . "CCCCC(NC(=O)C(Cc1ccc(cc1)OS(=O)(=O)O)NC(=O)OC(C)(C)C)NC(=O)C(NC(=O)C(NC(=O)C(N(C(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CC(=O)N)C)CCCC)CC(=O)O)Cc1ccccc1" . "CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)OS(=O)(=O)O)NC(=O)OC(C)(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CC(=O)N)C)CCCC)CC(=O)O)Cc1ccccc1" . "LEXXPLMUWFLNAN-OZUMUDGSSA-N" . "InChI=1S/C53H71N9O15S/c1-7-9-20-42(62(6)51(71)41(56-45(64)30-43(54)63)28-34-31-55-37-19-15-14-18-36(34)37)50(70)58-40(29-46(65)66)47(67)57-38(26-32-16-12-11-13-17-32)48(68)60-44(21-10-8-2)61-49(69)39(59-52(72)76-53(3,4)5)27-33-22-24-35(25-23-33)77-78(73,74)75/h11-19,22-25,31,38-42,44,55H,7-10,20-21,26-30H2,1-6H3,(H2,54,63)(H,56,64)(H,57,67)(H,58,70)(H,59,72)(H,60,68)(H,61,69)(H,65,66)(H,73,74,75)/t38-,39-,40-,41-,42-,44-/m0/s1" . "CCCCC(C(=O)NC(=O)c1ccccc1CC(NC(=O)C(CC(=O)O)NC)C)NC(=O)N(C(=O)CNC(=O)C(NC(=O)CCc1ccc(cc1)OS(=O)(=O)O)CCCC)Cc1c[nH]c2c1cccc2" . "CCCC[C@@H](C(=O)NC(=O)c1ccccc1C[C@H](NC(=O)[C@H](CC(=O)O)NC)C)NC(=O)N(C(=O)CNC(=O)[C@@H](NC(=O)CCc1ccc(cc1)OS(=O)(=O)O)CCCC)Cc1c[nH]c2c1cccc2" . "DLOJBPLQFCFYKX-QQYYTUMTSA-N" . "InChI=1S/C48H62N8O13S/c1-5-7-16-38(53-41(57)24-21-31-19-22-34(23-20-31)69-70(66,67)68)45(62)51-28-42(58)56(29-33-27-50-37-18-12-11-14-35(33)37)48(65)54-39(17-8-6-2)46(63)55-44(61)36-15-10-9-13-32(36)25-30(3)52-47(64)40(49-4)26-43(59)60/h9-15,18-20,22-23,27,30,38-40,49-50H,5-8,16-17,21,24-26,28-29H2,1-4H3,(H,51,62)(H,52,64)(H,53,57)(H,54,65)(H,59,60)(H,55,61,63)(H,66,67,68)/t30-,38+,39+,40+/m1/s1" . "CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC" . "CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC" . "DGMKFQYCZXERLX-UHFFFAOYSA-N" . "InChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22)" . "CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC" . "CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC" . "QNQZBKQEIFTHFZ-UHFFFAOYSA-N" . "InChI=1S/C21H30Cl2N2O5/c1-3-4-5-11-25(12-6-13-30-2)21(29)18(9-10-19(26)27)24-20(28)15-7-8-16(22)17(23)14-15/h7-8,14,18H,3-6,9-13H2,1-2H3,(H,24,28)(H,26,27)" . "CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCCC" . "CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCCC" . "IEKOTSCYBBDIJC-UHFFFAOYSA-N" . "InChI=1S/C22H32Cl2N2O4/c1-3-5-7-13-26(14-8-6-4-2)22(30)19(11-12-20(27)28)25-21(29)16-9-10-17(23)18(24)15-16/h9-10,15,19H,3-8,11-14H2,1-2H3,(H,25,29)(H,27,28)" . "CN1CC(=CCC1)C(=O)OCC#C" . "CN1CC(=CCC1)C(=O)OCC#C" . "SPHRJZBOFYIKMC-UHFFFAOYSA-N" . "InChI=1S/C10H13NO2/c1-3-7-13-10(12)9-5-4-6-11(2)8-9/h1,5H,4,6-8H2,2H3" . "CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC" . "CCCCCN(C(=O)[C@H](NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC" . "QNQZBKQEIFTHFZ-GOSISDBHSA-N" . "InChI=1S/C21H30Cl2N2O5/c1-3-4-5-11-25(12-6-13-30-2)21(29)18(9-10-19(26)27)24-20(28)15-7-8-16(22)17(23)14-15/h7-8,14,18H,3-6,9-13H2,1-2H3,(H,24,28)(H,26,27)/t18-/m1/s1" . "Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)CC(=O)c1ccccc1C)cccc2" . "Cc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccc2)c2c(N(C1=O)CC(=O)c1ccccc1C)cccc2" . "YCXFHPUBGMMWJQ-PMERELPUSA-N" . "InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1" . "CNc1cccc(c1)NC(=O)NC1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2" . "CNc1cccc(c1)NC(=O)N[C@@H]1N=C(c2ccccn2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2" . "YDZYKNJZCVIKPP-VWLOTQADSA-N" . "InChI=1S/C28H30N6O3/c1-28(2,3)23(35)17-34-22-14-6-5-12-20(22)24(21-13-7-8-15-30-21)32-25(26(34)36)33-27(37)31-19-11-9-10-18(16-19)29-4/h5-16,25,29H,17H2,1-4H3,(H2,31,33,37)/t25-/m0/s1" . "OC(=O)CC(c1ccccc1)NC(=O)c1cccc(c1)NC(=O)c1cc2c([nH]1)ccc(c2)C(=N)N" . "OC(=O)CC(c1ccccc1)NC(=O)c1cccc(c1)NC(=O)c1cc2c([nH]1)ccc(c2)C(=N)N" . "RVWSCZNGPOUASU-UHFFFAOYSA-N" . "InChI=1S/C26H23N5O4/c27-24(28)16-9-10-20-18(11-16)13-22(30-20)26(35)29-19-8-4-7-17(12-19)25(34)31-21(14-23(32)33)15-5-2-1-3-6-15/h1-13,21,30H,14H2,(H3,27,28)(H,29,35)(H,31,34)(H,32,33)" . "O=C(C(NC(=O)c1cc2c([nH]1)cccc2)CSc1ncccc1C(=O)O)N1CCN(CC1)C(c1ccccc1)c1ccccc1" . "O=C([C@@H](NC(=O)c1cc2c([nH]1)cccc2)CSc1ncccc1C(=O)O)N1CCN(CC1)C(c1ccccc1)c1ccccc1" . "JWXZKQOPZVEJHR-PMERELPUSA-N" . "InChI=1S/C35H33N5O4S/c41-32(29-22-26-14-7-8-16-28(26)37-29)38-30(23-45-33-27(35(43)44)15-9-17-36-33)34(42)40-20-18-39(19-21-40)31(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-17,22,30-31,37H,18-21,23H2,(H,38,41)(H,43,44)/t30-/m0/s1" . "COc1ccc2c(c1)N(c1ccccc1F)C(=O)C2(CCC(=O)O)NC(=O)C1CCc2c(C1)cccc2" . "COc1ccc2c(c1)N(c1ccccc1F)C(=O)[C@@]2(CCC(=O)O)NC(=O)C1CCc2c(C1)cccc2" . "RORYEMYJJAIHBK-PRTIIRGTSA-N" . "InChI=1S/C29H27FN2O5/c1-37-21-12-13-22-25(17-21)32(24-9-5-4-8-23(24)30)28(36)29(22,15-14-26(33)34)31-27(35)20-11-10-18-6-2-3-7-19(18)16-20/h2-9,12-13,17,20H,10-11,14-16H2,1H3,(H,31,35)(H,33,34)/t20?,29-/m0/s1" . "OC(=O)C1CN(C(=O)C1NC(=O)c1c[nH]c2c1cccc2)c1ccccc1" . "OC(=O)C1CN(C(=O)C1NC(=O)c1c[nH]c2c1cccc2)c1ccccc1" . "TUYVXFVSHUIIJR-UHFFFAOYSA-N" . "InChI=1S/C20H17N3O4/c24-18(14-10-21-16-9-5-4-8-13(14)16)22-17-15(20(26)27)11-23(19(17)25)12-6-2-1-3-7-12/h1-10,15,17,21H,11H2,(H,22,24)(H,26,27)" . "O=C(NC(c1ccccc1)CNC(=O)C(CC1CNc2c1cccc2)(NC(=O)OC1CC2C(C1(C)CC2)(C)C)C)CCC(=O)O" . "O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](CC1CNc2c1cccc2)(NC(=O)OC1C[C@H]2C([C@]1(C)CC2)(C)C)C)CCC(=O)O" . "VVGZQXYPBDZOLL-KROHXGCPSA-N" . "InChI=1S/C35H46N4O6/c1-33(2)24-16-17-34(33,3)28(18-24)45-32(44)39-35(4,19-23-20-36-26-13-9-8-12-25(23)26)31(43)37-21-27(22-10-6-5-7-11-22)38-29(40)14-15-30(41)42/h5-13,23-24,27-28,36H,14-21H2,1-4H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t23?,24-,27-,28?,34+,35+/m0/s1" . "Cc1cccc(c1)NC(=O)NC1N=C(N2CC3CCC(C2)CC3)c2c(N(C1=O)C)cccc2" . "Cc1cccc(c1)NC(=O)N[C@@H]1N=C(N2CC3CCC(C2)CC3)c2c(N(C1=O)C)cccc2" . "QYERABWMFRRINX-XWEVFREBSA-N" . "InChI=1S/C26H31N5O2/c1-17-6-5-7-20(14-17)27-26(33)29-23-25(32)30(2)22-9-4-3-8-21(22)24(28-23)31-15-18-10-11-19(16-31)13-12-18/h3-9,14,18-19,23H,10-13,15-16H2,1-2H3,(H2,27,29,33)/t18?,19?,23-/m0/s1" . "O=C(NC1N=C(C2CCCCC2)c2c(N(C1=O)C)cccc2)Nc1cccc(c1)N(c1n[nH]nn1)C" . "O=C(N[C@@H]1N=C(C2CCCCC2)c2c(N(C1=O)C)cccc2)Nc1cccc(c1)N(c1n[nH]nn1)C" . "MYPNMQPMQUAOTH-QFIPXVFZSA-N" . "InChI=1S/C25H29N9O2/c1-33(24-29-31-32-30-24)18-12-8-11-17(15-18)26-25(36)28-22-23(35)34(2)20-14-7-6-13-19(20)21(27-22)16-9-4-3-5-10-16/h6-8,11-16,22H,3-5,9-10H2,1-2H3,(H2,26,28,36)(H,29,30,31,32)/t22-/m0/s1" . "Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2" . "Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2" . "KDFQABSFVYLGPM-UHFFFAOYSA-N" . "InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)" . "O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2" . "O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2" . "NFHRQQKPEBFUJK-UHFFFAOYSA-N" . "InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)" . "COc1ccc(cc1)n1nc(cc1c1ccc(c(c1)Cl)Cl)CC(c1cccc(c1)C)C(=O)O" . "COc1ccc(cc1)n1nc(cc1c1ccc(c(c1)Cl)Cl)C[C@@H](c1cccc(c1)C)C(=O)O" . "UZCIUKFEIOCAOC-QFIPXVFZSA-N" . "InChI=1S/C26H22Cl2N2O3/c1-16-4-3-5-17(12-16)22(26(31)32)14-19-15-25(18-6-11-23(27)24(28)13-18)30(29-19)20-7-9-21(33-2)10-8-20/h3-13,15,22H,14H2,1-2H3,(H,31,32)/t22-/m0/s1" . "OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C" . "OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C" . "NWIUTZDMDHAVTP-UHFFFAOYSA-N" . "InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3" . "O=C(NC(C)(C)C)NC(C(=O)NC1CCCN2C1CC(=O)N(C2=O)Cc1ccccc1)Cc1c[nH]c2c1cccc2" . "O=C(NC(C)(C)C)N[C@H](C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)Cc1ccccc1)Cc1c[nH]c2c1cccc2" . "JQMXXJDAKTTXOB-ZNZIZOMTSA-N" . "InChI=1S/C31H38N6O4/c1-31(2,3)35-29(40)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(39)33-24-14-9-15-36-26(24)17-27(38)37(30(36)41)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,32H,9,14-17,19H2,1-3H3,(H,33,39)(H2,34,35,40)/t24-,25+,26+/m1/s1" . "CC(c1cccc2c1cccc2)NCc1cc2c([nH]1)cccc2" . "C[C@H](c1cccc2c1cccc2)NCc1cc2c([nH]1)cccc2" . "JLPWXRZETODYFC-OAHLLOKOSA-N" . "InChI=1S/C21H20N2/c1-15(19-11-6-9-16-7-2-4-10-20(16)19)22-14-18-13-17-8-3-5-12-21(17)23-18/h2-13,15,22-23H,14H2,1H3/t15-/m1/s1" . "O=C(c1cc2c([nH]1)cccc2)NC1N=C(c2ccccc2F)c2c3N(C1=O)CCc3ccc2" . "O=C(c1cc2c([nH]1)cccc2)N[C@H]1N=C(c2ccccc2F)c2c3N(C1=O)CCc3ccc2" . "WKJDXKWFGJWGAS-XMMPIXPASA-N" . "InChI=1S/C26H19FN4O2/c27-19-10-3-2-8-17(19)22-18-9-5-7-15-12-13-31(23(15)18)26(33)24(29-22)30-25(32)21-14-16-6-1-4-11-20(16)28-21/h1-11,14,24,28H,12-13H2,(H,30,32)/t24-/m1/s1" . "O=C(NC(c1ccccc1)CNC(=O)C(Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O" . "O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)CCC(=O)O" . "FVQSSYMRZKLFDR-ZABPBAJSSA-N" . "InChI=1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t21?,22?,24?,25?,29-,32?,35+/m0/s1" . "O=C(NC(C(=O)NC1CCCCC1O)(Cc1c[nH]c2c1cccc2)C)OC12CC3CC(C2)CC(C1)C3" . "O=C(N[C@@](C(=O)N[C@H]1CCCC[C@@H]1O)(Cc1c[nH]c2c1cccc2)C)OC12CC3CC(C2)CC(C1)C3" . "UOFRODPUIMDZTB-HDCXSGMISA-N" . "InChI=1S/C29H39N3O4/c1-28(26(34)31-24-8-4-5-9-25(24)33,16-21-17-30-23-7-3-2-6-22(21)23)32-27(35)36-29-13-18-10-19(14-29)12-20(11-18)15-29/h2-3,6-7,17-20,24-25,30,33H,4-5,8-16H2,1H3,(H,31,34)(H,32,35)/t18?,19?,20?,24-,25-,28+,29?/m0/s1" . "Clc1ccc(cc1)C(=O)NC(C(=O)O)Cc1cc(=O)[nH]c2c1cccc2" . "Clc1ccc(cc1)C(=O)NC(C(=O)O)Cc1cc(=O)[nH]c2c1cccc2" . "ALLWOAVDORUJLA-UHFFFAOYSA-N" . "InChI=1S/C19H15ClN2O4/c20-13-7-5-11(6-8-13)18(24)22-16(19(25)26)9-12-10-17(23)21-15-4-2-1-3-14(12)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26)" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CCNC(=O)OCC(C)C" . "CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CCNC(=O)OCC(C)C" . "ALXRNCVIQSDJAO-KRCBVYEFSA-N" . "InChI=1S/C37H49N7O9S/c1-22(2)21-53-37(52)39-15-13-31(45)41-29(18-24-20-40-26-12-8-7-11-25(24)26)35(50)42-27(14-16-54-3)34(49)44-30(19-32(46)47)36(51)43-28(33(38)48)17-23-9-5-4-6-10-23/h4-12,20,22,27-30,40H,13-19,21H2,1-3H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t27-,28-,29-,30-/m0/s1" . "COc1cc(Cl)c(cc1c1nc(sc1CCC1CCCCC1)NC(=O)c1cc2c(n1CC(=O)O)c(C)cc(c2)C)OC" . "COc1cc(Cl)c(cc1c1nc(sc1CCC1CCCCC1)NC(=O)c1cc2c(n1CC(=O)O)c(C)cc(c2)C)OC" . "NFDFTMICKVDYLQ-UHFFFAOYSA-N" . "InChI=1S/C32H36ClN3O5S/c1-18-12-19(2)30-21(13-18)14-24(36(30)17-28(37)38)31(39)35-32-34-29(22-15-26(41-4)23(33)16-25(22)40-3)27(42-32)11-10-20-8-6-5-7-9-20/h12-16,20H,5-11,17H2,1-4H3,(H,37,38)(H,34,35,39)" . "O=C(NC(c1ccccc1)CNC(=O)C(Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)C=CC(=O)O" . "O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)/C=C/C(=O)O" . "REMAMJQTIPBFTH-MYJPUEAFSA-N" . "InChI=1S/C35H40N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-12,19,21-22,24-25,29,32,36H,13-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/b12-11+/t21?,22?,24?,25?,29-,32?,35+/m0/s1" . "O=C(NC1C(=O)N(c2ccccc2)c2c(N(C1=O)CC(=O)N(c1ccc(cc1)N(C)C)C(C)C)cccc2)Nc1ccccc1" . "O=C(NC1C(=O)N(c2ccccc2)c2c(N(C1=O)CC(=O)N(c1ccc(cc1)N(C)C)C(C)C)cccc2)Nc1ccccc1" . "GESRVUYUMYPJBC-UHFFFAOYSA-N" . "InChI=1S/C35H36N6O4/c1-24(2)40(28-21-19-26(20-22-28)38(3)4)31(42)23-39-29-17-11-12-18-30(29)41(27-15-9-6-10-16-27)34(44)32(33(39)43)37-35(45)36-25-13-7-5-8-14-25/h5-22,24,32H,23H2,1-4H3,(H2,36,37,45)" . "COc1ccc(cc1)N(C(=O)CN1C(=O)C(Cc2[nH]nc3c2cccc3)C(=O)N(c2c1cccc2)c1ccccc1)C(C)C" . "COc1ccc(cc1)N(C(=O)CN1C(=O)C(Cc2[nH]nc3c2cccc3)C(=O)N(c2c1cccc2)c1ccccc1)C(C)C" . "LGYKPDHARJMLQN-UHFFFAOYSA-N" . "InChI=1S/C35H33N5O4/c1-23(2)39(25-17-19-26(44-3)20-18-25)33(41)22-38-31-15-9-10-16-32(31)40(24-11-5-4-6-12-24)35(43)28(34(38)42)21-30-27-13-7-8-14-29(27)36-37-30/h4-20,23,28H,21-22H2,1-3H3,(H,36,37)" . "NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CS)CCCN=C(N)N)Cc1ccc(cc1)O)CO)CC(C)C)CO)C(C)C)N " . "CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CS)C(=O)O" . "LDJISKZMVNIUHX-VXJRNSOOSA-N" . "InChI=1S/C46H77N13O13S/c1-24(2)19-30(53-41(67)33(22-61)56-43(69)36(25(3)4)58-42(68)35-11-8-18-59(35)44(70)28(48)9-5-6-16-47)38(64)55-32(21-60)40(66)54-31(20-26-12-14-27(62)15-13-26)39(65)52-29(10-7-17-51-46(49)50)37(63)57-34(23-73)45(71)72/h12-15,24-25,28-36,60-62,73H,5-11,16-23,47-48H2,1-4H3,(H,52,65)(H,53,67)(H,54,66)(H,55,64)(H,56,69)(H,57,63)(H,58,68)(H,71,72)(H4,49,50,51)/t28-,29-,30-,31-,32-,33-,34-,35-,36-/m0/s1" . "CCCCN1C(=O)C(NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)C(C1CCCCC1)O" . "CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O" . "GWNOTCOIYUNTQP-FQLXRVMXSA-N" . "InChI=1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1" . "CSCCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)CCSC)Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(CC(=O)O)N)Cc1ccc(cc1)OS(=O)(=O)O" . "CSCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)CCSC)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)Cc1ccc(cc1)OS(=O)(=O)O" . "IZTQOLKUZKXIRV-YRVFCXMDSA-N" . "InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1" . "CCON=C(c1ccc(cc1)Br)C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-]" . "CCO/N=C(/c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-]" . "ZGDKVKUWTCGYOA-URGPHPNLSA-N" . "InChI=1S/C28H37BrN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3/b30-26+" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)N" . "CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)N" . "RGYLYUZOGHTBRF-UHFFFAOYSA-N" . "InChI=1S/C29H36N6O6S/c1-42-12-11-22(33-27(39)20(30)14-18-16-32-21-10-6-5-9-19(18)21)28(40)35-24(15-25(36)37)29(41)34-23(26(31)38)13-17-7-3-2-4-8-17/h2-10,16,20,22-24,32H,11-15,30H2,1H3,(H2,31,38)(H,33,39)(H,34,41)(H,35,40)(H,36,37)" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)CCSC)Cc1c[nH]c2c1cccc2)CCSC)c1ccc(cc1)OS(=O)(=O)O)CC(=O)O)CCCNC(=N)N)CC(=O)O)CO)C(CC)C)CCCNC(=N)N)Cc1nc[nH]c1)CO)CC(=O)O)CC(C)C)CC(=O)N)CCC(=O)N)CC(C)C)CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(CCCCN)N)C)CO)CCCNC(=N)N)CCSC)CO" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)CCSC)Cc1c[nH]c2c1cccc2)CCSC)c1ccc(cc1)OS(=O)(=O)O)CC(=O)O)CCCNC(=N)N)CC(=O)O)CO)C(CC)C)CCCNC(=N)N)Cc1nc[nH]c1)CO)CC(=O)O)CC(C)C)CC(=O)N)CCC(=O)N)CC(C)C)CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(CCCCN)N)C)CO)CCCNC(=N)N)CCSC)CO" . "QFLBZJPOIZFFJQ-UHFFFAOYSA-N" . "InChI=1S/C166H261N51O52S4/c1-15-84(9)130(159(261)211-116(78-220)154(256)206-110(68-125(227)228)150(252)191-97(38-27-54-182-165(176)177)139(241)205-112(70-127(231)232)152(254)215-132(88-42-44-91(45-43-88)269-273(266,267)268)161(263)197-100(48-58-270-12)135(237)185-75-124(226)190-106(64-89-72-184-94-35-21-20-33-92(89)94)146(248)195-101(49-59-271-13)141(243)204-111(69-126(229)230)151(253)198-103(133(173)235)63-87-31-18-17-19-32-87)213-143(245)98(39-28-55-183-166(178)179)192-147(249)107(65-90-73-180-80-187-90)201-153(255)115(77-219)210-157(259)119-41-30-57-217(119)163(265)113(71-128(233)234)207-145(247)105(62-82(5)6)200-149(251)109(67-122(172)224)203-140(242)99(46-47-120(170)222)193-144(246)104(61-81(3)4)199-148(250)108(66-121(171)223)202-138(240)96(36-23-25-52-168)196-158(260)129(83(7)8)212-160(262)131(85(10)16-2)214-155(257)117(79-221)208-142(244)102(50-60-272-14)194-137(239)95(37-26-53-181-164(174)175)189-123(225)74-186-136(238)114(76-218)209-156(258)118-40-29-56-216(118)162(264)86(11)188-134(236)93(169)34-22-24-51-167/h17-21,31-33,35,42-45,72-73,80-86,93,95-119,129-132,184,218-221H,15-16,22-30,34,36-41,46-71,74-79,167-169H2,1-14H3,(H2,170,222)(H2,171,223)(H2,172,224)(H2,173,235)(H,180,187)(H,185,237)(H,186,238)(H,188,236)(H,189,225)(H,190,226)(H,191,252)(H,192,249)(H,193,246)(H,194,239)(H,195,248)(H,196,260)(H,197,263)(H,198,253)(H,199,250)(H,200,251)(H,201,255)(H,202,240)(H,203,242)(H,204,243)(H,205,241)(H,206,256)(H,207,247)(H,208,244)(H,209,258)(H,210,259)(H,211,261)(H,212,262)(H,213,245)(H,214,257)(H,215,254)(H,227,228)(H,229,230)(H,231,232)(H,233,234)(H4,174,175,181)(H4,176,177,182)(H4,178,179,183)(H,266,267,268)" . "OC(=O)CC(C(=O)N(C(C(=O)N)Cc1ccccc1)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)OC(C)(C)C)CCCCNC(=O)Nc1ccccc1C" . "OC(=O)C[C@@H](C(=O)N([C@H](C(=O)N)Cc1ccccc1)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OC(C)(C)C)CCCCNC(=O)Nc1ccccc1C" . "KNHCBYMGWWTGSO-ZYADHFCISA-N" . "InChI=1S/C44H56N8O9/c1-27-15-9-11-19-31(27)50-42(59)46-22-14-13-21-33(39(56)49-35(25-37(53)54)41(58)52(5)36(38(45)55)23-28-16-7-6-8-17-28)48-40(57)34(51-43(60)61-44(2,3)4)24-29-26-47-32-20-12-10-18-30(29)32/h6-12,15-20,26,33-36,47H,13-14,21-25H2,1-5H3,(H2,45,55)(H,48,57)(H,49,56)(H,51,60)(H,53,54)(H2,46,50,59)/t33-,34-,35-,36-/m0/s1" . "NCCCCC1NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc2ccc(cc2)O)NC(=O)C2CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CSSCC(NC1=O)C(=O)NC(C(=O)N)CCCNC(=N)N)NC(=O)C(Cc1c[nH]c3c1cccc3)NC(=O)C(NC(=O)C(CCCNC(=N)N)N)CCCNC(=N)N)Cc1ccc(cc1)O)CCCNC(=N)N)CCCCN)C(=O)NC(Cc1ccc(cc1)O)C(=O)NC(C(=O)NCC(=O)NC(C(=O)N2)Cc1ccc(cc1)O)CCCCN" . "NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@H](C(=O)N)CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c3c1cccc3)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCCNC(=N)N)Cc1ccc(cc1)O)CCCNC(=N)N)CCCCN)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2)Cc1ccc(cc1)O)CCCCN" . "MJULKHZUJYASFR-FQPMSUGVSA-N" . "InChI=1S/C109H164N38O22S4/c110-40-6-3-17-72-90(155)131-54-87(152)132-78(48-59-24-32-64(148)33-25-59)96(161)146-85-57-172-171-56-84(102(167)140-79(97(162)135-72)49-60-26-34-65(149)35-27-60)145-95(160)74(19-5-8-42-112)137-92(157)77(23-13-47-129-109(123)124)139-99(164)81(51-62-30-38-67(151)39-31-62)142-104(169)86(147-100(165)82(52-63-53-130-70-16-2-1-14-68(63)70)143-93(158)75(21-11-45-127-107(119)120)134-89(154)69(113)15-9-43-125-105(115)116)58-173-170-55-83(101(166)133-71(88(114)153)20-10-44-126-106(117)118)144-94(159)73(18-4-7-41-111)136-91(156)76(22-12-46-128-108(121)122)138-98(163)80(141-103(85)168)50-61-28-36-66(150)37-29-61/h1-2,14,16,24-39,53,69,71-86,130,148-151H,3-13,15,17-23,40-52,54-58,110-113H2,(H2,114,153)(H,131,155)(H,132,152)(H,133,166)(H,134,154)(H,135,162)(H,136,156)(H,137,157)(H,138,163)(H,139,164)(H,140,167)(H,141,168)(H,142,169)(H,143,158)(H,144,159)(H,145,160)(H,146,161)(H,147,165)(H4,115,116,125)(H4,117,118,126)(H4,119,120,127)(H4,121,122,128)(H4,123,124,129)/t69-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-/m0/s1" . "NCCCCC1NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc2ccc(cc2)O)NC(=O)C(CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)NC(C(=O)O)CCCNC(=N)N)NC(=O)C(NC(=O)C(NC(=O)C(CCCNC(=N)N)N)CCCNC(=N)N)Cc1ccc2c(c1)cccc2" . "NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCCNC(=N)N)Cc1ccc2c(c1)cccc2" . "IMOHHNXUCDZLKM-ADZSTZGASA-N" . "InChI=1S/C90H141N33O18S2/c91-35-5-3-17-58-74(129)116-63(18-4-6-36-92)83(138)123-43-13-24-70(123)82(137)120-66(46-51-28-33-56(125)34-29-51)78(133)115-61(21-10-40-108-88(100)101)73(128)113-62(22-11-42-110-90(104)141)76(131)121-68(80(135)117-64(84(139)140)23-12-41-109-89(102)103)48-142-143-49-69(81(136)119-65(45-50-26-31-55(124)32-27-50)77(132)114-60(72(127)112-58)20-9-39-107-87(98)99)122-79(134)67(47-52-25-30-53-14-1-2-15-54(53)44-52)118-75(130)59(19-8-38-106-86(96)97)111-71(126)57(93)16-7-37-105-85(94)95/h1-2,14-15,25-34,44,57-70,124-125H,3-13,16-24,35-43,45-49,91-93H2,(H,111,126)(H,112,127)(H,113,128)(H,114,132)(H,115,133)(H,116,129)(H,117,135)(H,118,130)(H,119,136)(H,120,137)(H,121,131)(H,122,134)(H,139,140)(H4,94,95,105)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H3,104,110,141)/t57-,58-,59-,60-,61-,62-,63+,64-,65-,66-,67-,68-,69-,70-/m0/s1" . "NCCCCC1NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc2ccc(cc2)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)NC(C(=O)O)CCCNC(=N)N)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(CCCNC(=N)N)N)CCCNC(=N)N" . "NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCCNC(=N)N" . "ZFIUCXJWTNZDRW-UYROLUPNSA-N" . "InChI=1S/C94H152N38O19S2/c95-35-5-3-18-59-76(138)125-65(19-4-6-36-96)86(148)132-44-14-26-72(132)85(147)129-68(46-52-29-33-55(134)34-30-52)81(143)123-62(22-10-40-114-91(104)105)75(137)121-64(24-12-43-117-94(110)151)79(141)130-71(84(146)126-66(87(149)150)25-13-42-116-93(108)109)50-153-152-49-70(83(145)124-63(23-11-41-115-92(106)107)78(140)127-67(45-51-27-31-54(133)32-28-51)80(142)122-61(74(136)120-59)21-9-39-113-90(102)103)131-82(144)69(47-53-48-118-58-17-2-1-15-56(53)58)128-77(139)60(20-8-38-112-89(100)101)119-73(135)57(97)16-7-37-111-88(98)99/h1-2,15,17,27-34,48,57,59-72,118,133-134H,3-14,16,18-26,35-47,49-50,95-97H2,(H,119,135)(H,120,136)(H,121,137)(H,122,142)(H,123,143)(H,124,145)(H,125,138)(H,126,146)(H,127,140)(H,128,139)(H,129,147)(H,130,141)(H,131,144)(H,149,150)(H4,98,99,111)(H4,100,101,112)(H4,102,103,113)(H4,104,105,114)(H4,106,107,115)(H4,108,109,116)(H3,110,117,151)/t57-,59-,60-,61-,62-,63-,64-,65+,66-,67-,68-,69-,70-,71-,72-/m0/s1" . "CC(=O)OCC[N+](C)(C)C" . "CC(=O)OCC[N+](C)(C)C" . "OIPILFWXSMYKGL-UHFFFAOYSA-N" . "InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1" . "NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1nc[nH]c1)CO)CCC(=O)O)Cc1ccccc1)Cc1ccccc1)CCCN=C(N)N)CS)CS)CCCN=C(N)N)Cc1ccc(cc1)O)CO)CC(C)C)CO)C(C)C)N " . "CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O" . "UQMATGKUTLWKOZ-DMVRXRCYSA-N" . "InChI=1S/C92H138N26O24S2/c1-49(2)37-60(106-82(133)67(45-121)113-87(138)73(50(3)4)116-86(137)71-25-15-35-117(71)88(139)56(94)21-11-12-32-93)77(128)112-65(43-119)81(132)109-63(40-53-26-28-55(122)29-27-53)78(129)103-58(23-14-34-101-92(97)98)75(126)115-69(47-144)89(140)118-36-16-24-70(118)85(136)114-68(46-143)84(135)104-57(22-13-33-100-91(95)96)74(125)107-62(39-52-19-9-6-10-20-52)80(131)108-61(38-51-17-7-5-8-18-51)79(130)105-59(30-31-72(123)124)76(127)111-66(44-120)83(134)110-64(90(141)142)41-54-42-99-48-102-54/h5-10,17-20,26-29,42,48-50,56-71,73,119-122,143-144H,11-16,21-25,30-41,43-47,93-94H2,1-4H3,(H,99,102)(H,103,129)(H,104,135)(H,105,130)(H,106,133)(H,107,125)(H,108,131)(H,109,132)(H,110,134)(H,111,127)(H,112,128)(H,113,138)(H,114,136)(H,115,126)(H,116,137)(H,123,124)(H,141,142)(H4,95,96,100)(H4,97,98,101)/t56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,73-/m0/s1" . "C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1" . "C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1" . "YIQPUIGJQJDJOS-UHFFFAOYSA-N" . "InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2" . "CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(C)CCC(C3)OC1OC(COC2OC(C)C(C(C2OC2(CC(O)C(C(O2)C)O)OC2OC(C)C(C(C2O)O)O)O)O)C(C(C1O)O)O)C" . "CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(C)CCC(C3)OC1OC(COC2OC(C)C(C(C2OC2(CC(O)C(C(O2)C)O)OC2OC(C)C(C(C2O)O)O)O)O)C(C(C1O)O)O)C" . "JXANHBVHGVNOQZ-UHFFFAOYSA-N" . "InChI=1S/C51H82O20/c1-21-10-15-50(63-19-21)22(2)34-32(69-50)17-30-28-9-8-26-16-27(11-13-48(26,6)29(28)12-14-49(30,34)7)66-45-42(60)40(58)38(56)33(67-45)20-62-47-44(41(59)37(55)24(4)65-47)70-51(18-31(52)35(53)25(5)68-51)71-46-43(61)39(57)36(54)23(3)64-46/h8,21-25,27-47,52-61H,9-20H2,1-7H3" . "OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CCC(CO3)C)C)C2)C)C(C(C1O)OC1OC(C)C(C(C1O)O)O)OC1CC(C)C(C(C1O)O)O" . "OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@]3(O4)CC[C@@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O[C@H]1C[C@H](C)[C@H]([C@H]([C@H]1O)O)O" . "SRFKCMVQTOGLCC-NSNPDTTGSA-N" . "InChI=1S/C46H74O15/c1-20-9-14-46(55-19-20)22(3)32-29(61-46)17-28-26-8-7-24-16-25(10-12-44(24,5)27(26)11-13-45(28,32)6)57-43-41(58-30-15-21(2)33(48)37(52)35(30)50)40(36(51)31(18-47)59-43)60-42-39(54)38(53)34(49)23(4)56-42/h7,20-23,25-43,47-54H,8-19H2,1-6H3/t20-,21-,22-,23-,25-,26+,27-,28-,29-,30-,31+,32-,33+,34-,35-,36+,37+,38+,39+,40-,41+,42-,43+,44-,45-,46+/m0/s1" . "OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CCC(CO3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O" . "OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O" . "VNONINPVFQTJOC-ZGXDEBHDSA-N" . "InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1" . "CCOc1ccc(cc1)n1c(nc2c(c1=O)cccn2)C(N(C(=O)Cc1ccc(c(c1)C(F)(F)F)F)Cc1cccnc1)C" . "CCOc1ccc(cc1)n1c(nc2c(c1=O)cccn2)C(N(C(=O)Cc1ccc(c(c1)C(F)(F)F)F)Cc1cccnc1)C" . "XMRGQUDUVGRCBS-UHFFFAOYSA-N" . "InChI=1S/C32H27F4N5O3/c1-3-44-24-11-9-23(10-12-24)41-30(39-29-25(31(41)43)7-5-15-38-29)20(2)40(19-22-6-4-14-37-18-22)28(42)17-21-8-13-27(33)26(16-21)32(34,35)36/h4-16,18,20H,3,17,19H2,1-2H3" . "O=C(Nc1ccc(cc1O)[N+](=O)[O-])Nc1ccccc1" . "O=C(Nc1ccc(cc1O)[N+](=O)[O-])Nc1ccccc1" . "SAUHQYBXEGARCC-UHFFFAOYSA-N" . "InChI=1S/C13H11N3O4/c17-12-8-10(16(19)20)6-7-11(12)15-13(18)14-9-4-2-1-3-5-9/h1-8,17H,(H2,14,15,18)" . "O=C(Nc1ccccc1Br)Nc1ccc(cc1O)[N+](=O)[O-]" . "O=C(Nc1ccccc1Br)Nc1ccc(cc1O)[N+](=O)[O-]" . "MQBZVUNNWUIPMK-UHFFFAOYSA-N" . "InChI=1S/C13H10BrN3O4/c14-9-3-1-2-4-10(9)15-13(19)16-11-6-5-8(17(20)21)7-12(11)18/h1-7,18H,(H2,15,16,19)" . "OCCOCCN1CCN(CC1)Cc1cccc(c1)Oc1ccccc1" . "OCCOCCN1CCN(CC1)Cc1cccc(c1)Oc1ccccc1" . "SHDFUNGIHDOLQM-UHFFFAOYSA-N" . "InChI=1S/C21H28N2O3/c24-14-16-25-15-13-22-9-11-23(12-10-22)18-19-5-4-8-21(17-19)26-20-6-2-1-3-7-20/h1-8,17,24H,9-16,18H2" . "COCC(N1CCN(CC1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F" . "COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F" . "CNPVJJQCETWNEU-CYFREDJKSA-N" . "InChI=1S/C28H38F3N5O2/c1-19-16-35(14-15-36(19)24(17-38-5)22-6-8-23(9-7-22)28(29,30)31)27(4)10-12-34(13-11-27)26(37)25-20(2)32-18-33-21(25)3/h6-9,18-19,24H,10-17H2,1-5H3/t19-,24-/m0/s1" . "Cc1cccc(c1C)C(c1c[nH]cn1)C" . "Cc1cccc(c1C)[C@@H](c1c[nH]cn1)C" . "CUHVIMMYOGQXCV-NSHDSACASA-N" . "InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1" . "O=C(C1CCC(CC1)(F)F)NC(c1ccccc1)CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C" . "O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C" . "GSNHKUDZZFZSJB-HLMSNRGBSA-N" . "InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25?,26-/m0/s1" . "O=C(C1CCC(CC1)(F)F)NC(c1ccccc1)CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C" . "O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C" . "GSNHKUDZZFZSJB-HLMSNRGBSA-N" . "InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25?,26-/m0/s1" . "CCON=C(c1ccc(cc1)Br)C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-]" . "CCO/N=C(/c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-]" . "ZGDKVKUWTCGYOA-URGPHPNLSA-N" . "InChI=1S/C28H37BrN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3/b30-26+" . "CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)S(=O)Cc1cncn1CCC" . "CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC" . "PNDKCRDVVKJPKG-WHERJAGFSA-N" . "InChI=1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/b34-26+/t50-/m0/s1" . "CC(=O)N1CCC(CC1)C(=O)N(c1ccc(c(c1)Cl)C)CCCN1CCC(CC1)Cc1ccc(cc1)C(=O)N" . "CC(=O)N1CCC(CC1)C(=O)N(c1ccc(c(c1)Cl)C)CCCN1CCC(CC1)Cc1ccc(cc1)C(=O)N" . "ASSJTMUEFHUKMJ-UHFFFAOYSA-N" . "InChI=1S/C31H41ClN4O3/c1-22-4-9-28(21-29(22)32)36(31(39)27-12-18-35(19-13-27)23(2)37)15-3-14-34-16-10-25(11-17-34)20-24-5-7-26(8-6-24)30(33)38/h4-9,21,25,27H,3,10-20H2,1-2H3,(H2,33,38)" . "O=C(NC1CCN(CC1)Cc1ccc(c(c1)Cl)Cl)CSc1nc2c(s1)cc(cc2)N" . "O=C(NC1CCN(CC1)Cc1ccc(c(c1)Cl)Cl)CSc1nc2c(s1)cc(cc2)N" . "QOHFBKIKGAINLL-UHFFFAOYSA-N" . "InChI=1S/C21H22Cl2N4OS2/c22-16-3-1-13(9-17(16)23)11-27-7-5-15(6-8-27)25-20(28)12-29-21-26-18-4-2-14(24)10-19(18)30-21/h1-4,9-10,15H,5-8,11-12,24H2,(H,25,28)" . "O=C(NC1CCN(CC1)Cc1ccc(c(c1)Cl)Cl)CSc1nc2c(s1)cc(cc2)N" . "O=C(NC1CCN(CC1)Cc1ccc(c(c1)Cl)Cl)CSc1nc2c(s1)cc(cc2)N" . "QOHFBKIKGAINLL-UHFFFAOYSA-N" . "InChI=1S/C21H22Cl2N4OS2/c22-16-3-1-13(9-17(16)23)11-27-7-5-15(6-8-27)25-20(28)12-29-21-26-18-4-2-14(24)10-19(18)30-21/h1-4,9-10,15H,5-8,11-12,24H2,(H,25,28)" . "O=C(C=C1CCN(CC1)C(=O)c1ncc(cc1O)C)NC1CCN(C1)Cc1ccc2c(c1)ccc(c2)F" . "O=C(C=C1CCN(CC1)C(=O)c1ncc(cc1O)C)N[C@@H]1CCN(C1)Cc1ccc2c(c1)ccc(c2)F" . "LHTPHICFHRATTG-RUZDIDTESA-N" . "InChI=1S/C29H31FN4O3/c1-19-12-26(35)28(31-16-19)29(37)34-10-6-20(7-11-34)14-27(36)32-25-8-9-33(18-25)17-21-2-3-23-15-24(30)5-4-22(23)13-21/h2-5,12-16,25,35H,6-11,17-18H2,1H3,(H,32,36)/t25-/m1/s1" . "COc1cc(ccc1OC)c1cnc(nc1)SCC(=O)NCCC1NCC(C1)Cc1ccc(c(c1)Cl)Cl" . "COc1cc(ccc1OC)c1cnc(nc1)SCC(=O)NCC[C@H]1NC[C@@H](C1)Cc1ccc(c(c1)Cl)Cl" . "OPLAETMHSJFRBS-WIYYLYMNSA-N" . "InChI=1S/C27H30Cl2N4O3S/c1-35-24-6-4-19(12-25(24)36-2)20-14-32-27(33-15-20)37-16-26(34)30-8-7-21-10-18(13-31-21)9-17-3-5-22(28)23(29)11-17/h3-6,11-12,14-15,18,21,31H,7-10,13,16H2,1-2H3,(H,30,34)/t18-,21-/m1/s1" . "COc1cc(NC(=O)NC(C(O)C)CN2CCC(CC2)Cc2ccc(cc2)Cl)cc(c1OC)OC" . "COc1cc(NC(=O)N[C@H](C(O)C)CN2CCC(CC2)Cc2ccc(cc2)Cl)cc(c1OC)OC" . "JYDVJNOBDUOZJC-UGNFMNBCSA-N" . "InChI=1S/C26H36ClN3O5/c1-17(31)22(16-30-11-9-19(10-12-30)13-18-5-7-20(27)8-6-18)29-26(32)28-21-14-23(33-2)25(35-4)24(15-21)34-3/h5-8,14-15,17,19,22,31H,9-13,16H2,1-4H3,(H2,28,29,32)/t17?,22-/m0/s1" . "COc1cc(NC(=O)NC(C(C)C)C[N+]2(C)CCC(CC2)Cc2ccc(c(c2)Cl)Cl)cc(c1OC)OC" . "COc1cc(NC(=O)N[C@H](C(C)C)C[N+]2(C)CCC(CC2)Cc2ccc(c(c2)Cl)Cl)cc(c1OC)OC" . "INQAQQXKVUWERW-WXJUUJJFSA-O" . "InChI=1S/C28H39Cl2N3O4/c1-18(2)24(32-28(34)31-21-15-25(35-4)27(37-6)26(16-21)36-5)17-33(3)11-9-19(10-12-33)13-20-7-8-22(29)23(30)14-20/h7-8,14-16,18-19,24H,9-13,17H2,1-6H3,(H-,31,32,34)/p+1/t19?,24-,33?/m0/s1" . "COc1cc(NC(=O)NC(C(C)C)CN2CCC(CC2)Cc2ccc(c(c2)Cl)Cl)cc(c1OC)OC" . "COc1cc(NC(=O)N[C@H](C(C)C)CN2CCC(CC2)Cc2ccc(c(c2)Cl)Cl)cc(c1OC)OC" . "FQHUEFRHSWYBQS-QHCPKHFHSA-N" . "InChI=1S/C27H37Cl2N3O4/c1-17(2)23(31-27(33)30-20-14-24(34-3)26(36-5)25(15-20)35-4)16-32-10-8-18(9-11-32)12-19-6-7-21(28)22(29)13-19/h6-7,13-15,17-18,23H,8-12,16H2,1-5H3,(H2,30,31,33)/t23-/m0/s1" . "O=C(NC1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F" . "O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F" . "MRRGKBBDXLJMCV-HXUWFJFHSA-N" . "InChI=1S/C23H26F3N3O2/c1-15-6-7-18(16(2)10-15)13-29-9-8-20(14-29)28-21(30)12-27-22(31)17-4-3-5-19(11-17)23(24,25)26/h3-7,10-11,20H,8-9,12-14H2,1-2H3,(H,27,31)(H,28,30)/t20-/m1/s1" . "Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C" . "Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C" . "XNHZXMPLVSJQFK-UHFFFAOYSA-O" . "InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1" . "NCCCCC(C(=O)O)N" . "NCCCC[C@@H](C(=O)O)N" . "KDXKERNSBIXSRK-YFKPBYRVSA-N" . "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1" . "O=C(C=Cc1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2" . "O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2" . "QBRLVMQBZIFWTB-WEVVVXLNSA-N" . "InChI=1S/C27H31Cl2N3O2/c28-24-7-4-19(16-25(24)29)5-9-27(34)30-12-2-1-3-13-32-14-10-20(11-15-32)23-18-31-26-8-6-21(33)17-22(23)26/h4-9,16-18,20,31,33H,1-3,10-15H2,(H,30,34)/b9-5+" . "O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C" . "O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C" . "ODNICNWASXKNNQ-UHFFFAOYSA-N" . "InChI=1S/C25H27N3O3/c1-17-8-9-22-20(16-17)25(31-24(29)27-22)11-14-28(15-12-25)13-10-21-18(2)30-23(26-21)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3,(H,27,29)" . "Clc1cccc(c1)Cn1cccc1C(=O)O" . "Clc1cccc(c1)Cn1cccc1C(=O)O" . "VPTUTBZAHHDMAA-UHFFFAOYSA-N" . "InChI=1S/C12H10ClNO2/c13-10-4-1-3-9(7-10)8-14-6-2-5-11(14)12(15)16/h1-7H,8H2,(H,15,16)" . "O=C1Nc2ccccc2C2(O1)CCN(CC2)CCc1ccc(cc1)C(F)(F)F" . "O=C1Nc2ccccc2C2(O1)CCN(CC2)CCc1ccc(cc1)C(F)(F)F" . "HIDWEYPGMLIQSN-UHFFFAOYSA-N" . "InChI=1S/C21H21F3N2O2/c22-21(23,24)16-7-5-15(6-8-16)9-12-26-13-10-20(11-14-26)17-3-1-2-4-18(17)25-19(27)28-20/h1-8H,9-14H2,(H,25,27)" . "CCOC1CN(CC1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)C1CCC(CC1)(O)c1ccc2c(c1)OCO2" . "CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2" . "MZEOSVPWMSEFPW-UTWBDPIXSA-N" . "InChI=1S/C29H34F3N3O6/c1-2-39-25-16-35(21-8-10-28(38,11-9-21)19-6-7-23-24(13-19)41-17-40-23)15-22(25)34-26(36)14-33-27(37)18-4-3-5-20(12-18)29(30,31)32/h3-7,12-13,21-22,25,38H,2,8-11,14-17H2,1H3,(H,33,37)(H,34,36)/t21-,22-,25-,28-/m0/s1" . "NCCCCC1NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C(N)CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC1=O)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)C(C)C)C(=O)O)C(O)C" . "NCCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC1=O)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)C(C)C)C(=O)O)[C@H](O)C" . "JOEHPBQVSCDCHE-BKGQOYFSSA-N" . "InChI=1S/C55H93N19O14S2/c1-28(2)23-37-50(84)74-43(30(5)75)52(86)69-35(15-9-10-20-56)47(81)67-33(16-11-21-63-54(59)60)45(79)65-25-41(77)66-34(17-12-22-64-55(61)62)46(80)68-36(18-19-40(58)76)48(82)73-42(29(3)4)51(85)72-39(53(87)88)27-90-89-26-32(57)44(78)70-38(49(83)71-37)24-31-13-7-6-8-14-31/h6-8,13-14,28-30,32-39,42-43,75H,9-12,15-27,56-57H2,1-5H3,(H2,58,76)(H,65,79)(H,66,77)(H,67,81)(H,68,80)(H,69,86)(H,70,78)(H,71,83)(H,72,85)(H,73,82)(H,74,84)(H,87,88)(H4,59,60,63)(H4,61,62,64)/t30-,32+,33+,34+,35+,36+,37+,38+,39+,42+,43+/m1/s1" . "NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(CC1C)Cc1ccc(cc1)F" . "NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F" . "XQYASZNUFDVMFH-CQSZACIVSA-N" . "InChI=1S/C21H24ClFN4O3/c1-14-11-26(12-15-2-5-17(23)6-3-15)8-9-27(14)20(28)13-30-19-7-4-16(22)10-18(19)25-21(24)29/h2-7,10,14H,8-9,11-13H2,1H3,(H3,24,25,29)/t14-/m1/s1" . "Cc1ccc(cc1)Cn1nc(cc1c1ccc(c(c1)C)Cl)C(=O)NC1C2(C)CCC(C1(C)C)C2" . "Cc1ccc(cc1)Cn1nc(cc1c1ccc(c(c1)C)Cl)C(=O)N[C@H]1[C@@]2(C)CC[C@@H](C1(C)C)C2" . "SUGVYNSRNKFXQM-XRHWURSXSA-N" . "InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22-,27-,29+/m1/s1" . "COc1ccc(cc1)C(=O)c1c(C)n(c2c1ccc(c2)I)CCN1CCOCC1" . "COc1ccc(cc1)C(=O)c1c(C)n(c2c1ccc(c2)I)CCN1CCOCC1" . "JHOTYHDSLIUKCJ-UHFFFAOYSA-N" . "InChI=1S/C23H25IN2O3/c1-16-22(23(27)17-3-6-19(28-2)7-4-17)20-8-5-18(24)15-21(20)26(16)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14H2,1-2H3" . "CCCCCCC(c1cc(OC)c2c(c1)OC(C1C2CC(=C)CC1)(C)C)(C)C" . "CCCCCCC(c1cc(OC)c2c(c1)OC([C@H]1[C@H]2CC(=C)CC1)(C)C)(C)C" . "BJIIKHXAZBTGLF-NHCUHLMSSA-N" . "InChI=1S/C26H40O2/c1-8-9-10-11-14-25(3,4)19-16-22(27-7)24-20-15-18(2)12-13-21(20)26(5,6)28-23(24)17-19/h16-17,20-21H,2,8-15H2,1,3-7H3/t20-,21-/m1/s1" . "CCCCCCC(c1cc(OC)c2c(c1)OC(C1C2CC(=CC1)C)(C)C)(C)C" . "CCCCCCC(c1cc(OC)c2c(c1)OC([C@H]1[C@H]2CC(=CC1)C)(C)C)(C)C" . "SUFMHSFGODDLKI-NHCUHLMSSA-N" . "InChI=1S/C26H40O2/c1-8-9-10-11-14-25(3,4)19-16-22(27-7)24-20-15-18(2)12-13-21(20)26(5,6)28-23(24)17-19/h12,16-17,20-21H,8-11,13-15H2,1-7H3/t20-,21-/m1/s1" . "CCCC(c1ccc2c(c1)OC(C1C2CC(=CC1)C)(C)C)(C)C" . "CCCC(c1ccc2c(c1)OC([C@H]1[C@H]2CC(=CC1)C)(C)C)(C)C" . "YSBFLLZNALVODA-RBUKOAKNSA-N" . "InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1" . "CCCCCCC(c1cc(OC)c(c(c1)OC)C1C=C(CO)C2CC1C2(C)C)(C)C" . "CCCCCCC(c1cc(OC)c(c(c1)OC)[C@H]1C=C(CO)[C@@H]2C[C@H]1C2(C)C)(C)C" . "CFMRIVODIXTERW-FDFHNCONSA-N" . "InChI=1S/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20-,21-,22+/m0/s1" . "Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1" . "Clc1ccc(cc1)c1n(nc(c1C([3H])([3H])[3H])C(=O)NN1CCCCC1)c1ccc(cc1Cl)Cl" . "JZCPYUJPEARBJL-RLXJOQACSA-N" . "InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)/i1T3" . "Ic1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1" . "[123I]c1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1" . "BUZAJRPLUGXRAB-VEFBWTBNSA-N" . "InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)/i25-4" . "Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1" . "Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1" . "JZCPYUJPEARBJL-UHFFFAOYSA-N" . "InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)" . "COc1ccc2c(c1)oc(c2C(=O)c1ccc(cc1)C#N)c1ccc(cc1)OC" . "COc1ccc2c(c1)oc(c2C(=O)c1ccc(cc1)C#N)c1ccc(cc1)OC" . "RYNSGDFWBJWWSZ-UHFFFAOYSA-N" . "InChI=1S/C24H17NO4/c1-27-18-9-7-17(8-10-18)24-22(20-12-11-19(28-2)13-21(20)29-24)23(26)16-5-3-15(14-25)4-6-16/h3-13H,1-2H3" . "Ic1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCOCC1" . "Ic1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCOCC1" . "AJFFBPZYXRNAIC-UHFFFAOYSA-N" . "InChI=1S/C21H19Cl2IN4O2/c1-13-19(21(29)26-27-8-10-30-11-9-27)25-28(18-7-4-15(22)12-17(18)23)20(13)14-2-5-16(24)6-3-14/h2-7,12H,8-11H2,1H3,(H,26,29)" . "CCCCCc1cc(O)c2c(c1)OC(c1c2cc(C)cc1)(C)C" . "CCCCCc1cc(O)c2c(c1)OC(c1c2cc(C)cc1)(C)C" . "VBGLYOIFKLUMQG-UHFFFAOYSA-N" . "InChI=1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3" . "CCCCCC=CCC=CCC=CCC=CCCCC(=O)NC1CC1" . "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NC1CC1" . "GLGAUBPACOBAMV-DOFZRALJSA-N" . "InChI=1S/C23H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)24-22-20-21-22/h6-7,9-10,12-13,15-16,22H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-" . "CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCCl" . "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NCCCl" . "SCJNCDSAIRBRIA-DOFZRALJSA-N" . "InChI=1S/C22H36ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-" . "O=C(c1c(C)n2c3c1cccc3OCC2CN1CCOCC1)c1cccc2c1cccc2" . "O=C(c1c(C)n2c3c1cccc3OCC2CN1CCOCC1)c1cccc2c1cccc2" . "HQVHOQAKMCMIIM-UHFFFAOYSA-N" . "InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3" . "CCCCCCC(c1cc(O)c2c(c1)OC(C1C2CC(CO)CC1)(C)C)(C)C" . "CCCCCCC(c1cc(O)c2c(c1)OC([C@H]1[C@H]2C[C@]([3H])(CO)C(C1)[3H])(C)C)(C)C" . "MVEVPDCVOXJVBD-AENGYHINSA-N" . "InChI=1S/C25H40O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h14-15,17,19-20,26-27H,6-13,16H2,1-5H3/t17-,19-,20-/m1/s1/i10T,17T/t10?,17-,19-,20-" . "CCCCCCC(c1ccc(c(c1)O)C1CC(O)CCC1CCCO)(C)C" . "CCCCCCC(c1ccc(c(c1)O)[C@@H]1C[C@H](O)CC[C@H]1CCCO)(C)C" . "YNZFFALZMRAPHQ-SYYKKAFVSA-N" . "InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1" . "O=C(c1c(C)n2c3c1cccc3OCC2CN1CCOCC1)c1cccc2c1cccc2" . "O=C(c1c(C)n2c3c1cccc3OC[C@H]2CN1CCOCC1)c1cccc2c1cccc2" . "HQVHOQAKMCMIIM-HXUWFJFHSA-N" . "InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1" . "OCC(NC(=O)CCCC=CCC=CCC=CCC=CC(CCCCC#N)(C)C)C" . "OC[C@H](NC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/C(CCCCC#N)(C)C)C" . "WZQHSBKOWZOASP-QLZKPENWSA-N" . "InChI=1S/C26H42N2O2/c1-24(23-29)28-25(30)19-15-12-10-8-6-4-5-7-9-11-13-16-20-26(2,3)21-17-14-18-22-27/h4-5,8-11,16,20,24,29H,6-7,12-15,17-19,21,23H2,1-3H3,(H,28,30)/b5-4-,10-8-,11-9-,20-16-/t24-/m1/s1" . "CCCCCCC(c1cc(O)c2c(c1)OC(C1C2CC(=CC1)CO)(C)C)(C)C" . "CCCCCCC(c1cc(O)c2c(c1)OC([C@H]1[C@H]2CC(=CC1)CO)(C)C)(C)C" . "SSQJFGMEZBFMNV-WOJBJXKFSA-N" . "InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1" . "CCCCCCC(c1ccc(c(c1)O)C1CC(O)CCC1CCCO)(C)C" . "CCCCCCC(c1ccc(c(c1)O)[C@@H]1C[C@H](O)CC[C@H]1CCCO)(C)C" . "YNZFFALZMRAPHQ-SYYKKAFVSA-N" . "InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1" . "CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC(CO)CO" . "CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OC(CO)CO" . "RCRCTBLIHCHWDZ-DOFZRALJSA-N" . "InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-" . "NCC(=O)O" . "NCC(=O)O" . "DHMQDGOQFOQNFH-UHFFFAOYSA-N" . "InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)" . "OCC(C(=O)O)N" . "OC[C@@H](C(=O)O)N" . "MTCFGRXMJLQNBG-REOHCLBHSA-N" . "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1" . "COc1cccc(c1)C(NCCCc1ccccc1Cl)C" . "COc1cccc(c1)[C@H](NCCCc1ccccc1Cl)C" . "ZVQUCWXZCKWZBP-CQSZACIVSA-N" . "InChI=1S/C18H22ClNO/c1-14(16-8-5-10-17(13-16)21-2)20-12-6-9-15-7-3-4-11-18(15)19/h3-5,7-8,10-11,13-14,20H,6,9,12H2,1-2H3/t14-/m1/s1" . "OC(=O)C(Cc1c[nH]c2c1cccc2)N" . "OC(=O)[C@H](Cc1c[nH]c2c1cccc2)N" . "QIVBCDIJIAJPQS-VIFPVBQESA-N" . "InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1" . "N#Cc1c(cccc1Cl)OCC(CNC(Cc1ccc2c(c1)cccc2)(C)C)O" . "N#Cc1c(cccc1Cl)OC[C@@H](CNC(Cc1ccc2c(c1)cccc2)(C)C)O" . "PZUJQWHTIRWCID-HXUWFJFHSA-N" . "InChI=1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1" . "COc1ccc(cc1)S(=O)(=O)NC1CCCCC1NC(c1cccc2c1cccc2)C" . "COc1ccc(cc1)S(=O)(=O)N[C@@H]1CCCC[C@H]1NC(c1cccc2c1cccc2)C" . "AKPJKVQQBSNRID-XTEKXTAFSA-N" . "InChI=1S/C25H30N2O3S/c1-18(22-11-7-9-19-8-3-4-10-23(19)22)26-24-12-5-6-13-25(24)27-31(28,29)21-16-14-20(30-2)15-17-21/h3-4,7-11,14-18,24-27H,5-6,12-13H2,1-2H3/t18?,24-,25-/m1/s1" . "Clc1ccc(cc1)C(=O)NC1CCCCC1NC(c1cccc2c1cccc2)C" . "Clc1ccc(cc1)C(=O)N[C@H]1CCCC[C@@H]1N[C@@H](c1cccc2c1cccc2)C" . "YTFUQWWKTIWYEY-CQLNOVPUSA-N" . "InChI=1S/C25H27ClN2O/c1-17(21-10-6-8-18-7-2-3-9-22(18)21)27-23-11-4-5-12-24(23)28-25(29)19-13-15-20(26)16-14-19/h2-3,6-10,13-17,23-24,27H,4-5,11-12H2,1H3,(H,28,29)/t17-,23+,24+/m1/s1" . "CCc1c(C)[nH]c(=C2C=CC=CC2=O)n(c1=O)CCc1ccccc1F" . "CCc1c(C)[nH]/c(=C/2/C=CC=CC2=O)/n(c1=O)CCc1ccccc1F" . "FYHAHJQDCZYGNJ-LVZFUZTISA-N" . "InChI=1S/C21H21FN2O2/c1-3-16-14(2)23-20(17-9-5-7-11-19(17)25)24(21(16)26)13-12-15-8-4-6-10-18(15)22/h4-11,23H,3,12-13H2,1-2H3/b20-17+" . "N#Cc1c(cccc1Cl)OCC(CN1CCCC1Cc1ccccc1)O" . "N#Cc1c(cccc1Cl)OC[C@@H](CN1CCC[C@H]1Cc1ccccc1)O" . "HSTMYWDURDPUMY-ZWKOTPCHSA-N" . "InChI=1S/C21H23ClN2O2/c22-20-9-4-10-21(19(20)13-23)26-15-18(25)14-24-11-5-8-17(24)12-16-6-2-1-3-7-16/h1-4,6-7,9-10,17-18,25H,5,8,11-12,14-15H2/t17-,18+/m0/s1" . "N#Cc1cccc(c1)CN1CCCC1C(CNC(Cc1cc2c(s1)cccc2)(C)C)O" . "N#Cc1cccc(c1)CN1CCC[C@@H]1[C@@H](CNC(Cc1cc2c(s1)cccc2)(C)C)O" . "HCLQARMRCPEALF-DNQXCXABSA-N" . "InChI=1S/C26H31N3OS/c1-26(2,15-22-14-21-9-3-4-11-25(21)31-22)28-17-24(30)23-10-6-12-29(23)18-20-8-5-7-19(13-20)16-27/h3-5,7-9,11,13-14,23-24,28,30H,6,10,12,15,17-18H2,1-2H3/t23-,24-/m1/s1" . "NCCCNCCCCNCCCN" . "NCCCNCCCCNCCCN" . "PFNFFQXMRSDOHW-UHFFFAOYSA-N" . "InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2" . "OCC1OC(C(C1OC1OC(CN)C(C(C1N)O)O)O)OC1C(O)C(N)CC(C1OC1OC(CN)C(C(C1N)O)O)N" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O[C@H]1O[C@@H](CN)[C@H]([C@@H]([C@H]1N)O)O)O)O[C@@H]1[C@@H](O)[C@H](N)C[C@@H]([C@H]1O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1N)O)O)N" . "PGBHMTALBVVCIT-VCIWKGPPSA-N" . "InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccc(cc1)O)C(O)C)CC(=O)N)CO)C(O)C)CC(=O)N)C(O)C)CCCNC(=N)N)Cc1ccc(cc1)O)C(O)C)CCC(=O)N)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(C(C)C)NC(=O)C)CC(C)C)CCCCN)CC(C)C)CO)CCC(=O)N)CCC(=O)O)CC(C)C)Cc1nc[nH]c1" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccc(cc1)O)[C@H](O)C)CC(=O)N)CO)[C@H](O)C)CC(=O)N)[C@H](O)C)CCCNC(=N)N)Cc1ccc(cc1)O)[C@H](O)C)CCC(=O)N)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)C)CC(C)C)CCCCN)CC(C)C)CO)CCC(=O)N)CCC(=O)O)CC(C)C)Cc1nc[nH]c1" . "ZLFXHYNEZYAYPG-AABHONRUSA-N" . "InChI=1S/C127H205N37O40/c1-59(2)44-81(156-122(200)99(63(9)10)142-68(15)171)105(183)139-54-96(178)143-74(22-16-18-40-128)106(184)151-84(47-62(7)8)114(192)159-90(57-166)119(197)148-77(34-37-92(130)174)108(186)146-79(36-39-98(180)181)109(187)153-83(46-61(5)6)113(191)154-85(50-71-53-137-58-141-71)115(193)145-75(23-17-19-41-129)107(185)152-82(45-60(3)4)112(190)147-78(35-38-93(131)175)111(189)162-103(67(14)170)125(203)158-88(49-70-28-32-73(173)33-29-70)126(204)164-43-21-25-91(164)120(198)149-76(24-20-42-138-127(135)136)110(188)161-102(66(13)169)124(202)157-87(52-95(133)177)117(195)160-100(64(11)167)121(199)140-55-97(179)144-89(56-165)118(196)155-86(51-94(132)176)116(194)163-101(65(12)168)123(201)150-80(104(134)182)48-69-26-30-72(172)31-27-69/h26-33,53,58-67,74-91,99-103,165-170,172-173H,16-25,34-52,54-57,128-129H2,1-15H3,(H2,130,174)(H2,131,175)(H2,132,176)(H2,133,177)(H2,134,182)(H,137,141)(H,139,183)(H,140,199)(H,142,171)(H,143,178)(H,144,179)(H,145,193)(H,146,186)(H,147,190)(H,148,197)(H,149,198)(H,150,201)(H,151,184)(H,152,185)(H,153,187)(H,154,191)(H,155,196)(H,156,200)(H,157,202)(H,158,203)(H,159,192)(H,160,195)(H,161,188)(H,162,189)(H,163,194)(H,180,181)(H4,135,136,138)/t64-,65-,66-,67-,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,99+,100+,101+,102+,103+/m1/s1" . "O=c1cc(oc2c1cccc2)c1ccccc1" . "O=c1cc(oc2c1cccc2)c1ccccc1" . "VHBFFQKBGNRLFZ-UHFFFAOYSA-N" . "InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H" . "COc1ccc(cc1)CC(NC(=O)C1CCCN1C(=O)C(NC(=O)C(Cc1cccs1)NC(=O)CNC(=O)C1CC(CN1C(=O)C1CCCN1C(=O)C(CCCN=C(N)N)N)O)CO)CNC(C(=O)O)CCCN=C(N)N" . "COc1ccc(cc1)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1cccs1)NC(=O)CNC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)N)O)CO)CN[C@H](C(=O)O)CCCN=C(N)N" . "IDXCXSCCZNCXCL-XMADEQCMSA-N" . "InChI=1S/C49H75N15O12S/c1-76-31-14-12-28(13-15-31)21-29(24-57-34(47(74)75)9-3-17-56-49(53)54)59-43(70)37-10-4-18-62(37)45(72)36(27-65)61-41(68)35(23-32-7-6-20-77-32)60-40(67)25-58-42(69)39-22-30(66)26-64(39)46(73)38-11-5-19-63(38)44(71)33(50)8-2-16-55-48(51)52/h6-7,12-15,20,29-30,33-39,57,65-66H,2-5,8-11,16-19,21-27,50H2,1H3,(H,58,69)(H,59,70)(H,60,67)(H,61,68)(H,74,75)(H4,51,52,55)(H4,53,54,56)/t29-,30+,33-,34-,35-,36-,37-,38-,39-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)NC(C(=O)N)Cc1ccc(cc1)O)CCC(=O)N)CO)C(CC)C)CCCCN)CO)CCCN=C(N)N)C)C(C)C)CC(=O)N)CC(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(C(O)C)N)CCC(=O)N)CCCCN)CC(C)C)C)Cc1nc[nH]c1)CCC(=O)N)Cc1ccc(cc1)O)CCC(=O)N)Cc1ccccc1)CC(=O)O)CCCCN)CC(=O)O " . "CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC)C(C)C)[C@@H](C)O" . "ZLCRXNXPYINVTB-MUIJALJFSA-N" . "InChI=1S/C159H252N46O48/c1-15-80(9)126(202-139(234)100(51-55-117(167)215)185-142(237)105(67-89-72-173-76-176-89)189-130(225)82(11)177-140(235)102(63-77(3)4)190-132(227)92(33-20-24-56-160)180-136(231)99(50-54-116(166)214)188-153(248)125(79(7)8)200-151(246)123(169)84(13)208)154(249)195-103(66-88-42-46-91(211)47-43-88)141(236)184-98(49-53-115(165)213)137(232)191-104(65-86-31-18-17-19-32-86)146(241)203-128(85(14)209)156(251)196-109(71-122(222)223)144(239)182-94(35-22-26-58-162)133(228)193-107(69-120(218)219)143(238)181-93(34-21-25-57-161)134(229)194-108(70-121(220)221)145(240)192-106(68-118(168)216)147(242)199-124(78(5)6)152(247)178-83(12)157(252)204-61-29-38-112(204)149(244)186-96(37-28-60-174-159(171)172)135(230)197-110(74-206)148(243)183-95(36-23-27-59-163)138(233)201-127(81(10)16-2)155(250)198-111(75-207)158(253)205-62-30-39-113(205)150(245)187-97(48-52-114(164)212)131(226)175-73-119(217)179-101(129(170)224)64-87-40-44-90(210)45-41-87/h17-19,31-32,40-47,72,76-85,92-113,123-128,206-211H,15-16,20-30,33-39,48-71,73-75,160-163,169H2,1-14H3,(H2,164,212)(H2,165,213)(H2,166,214)(H2,167,215)(H2,168,216)(H2,170,224)(H,173,176)(H,175,226)(H,177,235)(H,178,247)(H,179,217)(H,180,231)(H,181,238)(H,182,239)(H,183,243)(H,184,236)(H,185,237)(H,186,244)(H,187,245)(H,188,248)(H,189,225)(H,190,227)(H,191,232)(H,192,240)(H,193,228)(H,194,229)(H,195,249)(H,196,251)(H,197,230)(H,198,250)(H,199,242)(H,200,246)(H,201,233)(H,202,234)(H,203,241)(H,218,219)(H,220,221)(H,222,223)(H4,171,172,174)/t80-,81-,82-,83-,84+,85+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,123-,124-,125-,126-,127-,128-/m0/s1" . "O=C(N1CCC(CC1)n1c(=O)[nH]c2c1cccn2)NC1CCC(CN(C1=O)CC(F)(F)F)c1cccc(c1F)F" . "O=C(N1CCC(CC1)n1c(=O)[nH]c2c1cccn2)N[C@@H]1CC[C@H](CN(C1=O)CC(F)(F)F)c1cccc(c1F)F" . "CGDZXLJGHVKVIE-DNVCBOLYSA-N" . "InChI=1S/C26H27F5N6O3/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40)/t15-,19-/m1/s1" . "NCCCCC(C(=O)N1CCN(CC1)c1ccncc1)NC(=O)C(NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)Cc1cc(Br)c(c(c1)Br)O" . "NCCCC[C@@H](C(=O)N1CCN(CC1)c1ccncc1)NC(=O)[C@H](NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)Cc1cc(Br)c(c(c1)Br)O" . "ITIXDWVDFFXNEG-JHOUSYSJSA-N" . "InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccccc1)C)CCCCN)CO)C(C)C)CC(=O)N)C(O)C)C(C)C)Cc1ccccc1)CC(=O)N)CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(C(C)C)N)Cc1nc[nH]c1)CCCN=C(N)N)CC(C)C)C)CC(C)C)CC(C)C)CO)CCCN=C(N)N)CO" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)C)CCCCN)CO)C(C)C)CC(=O)N)[C@H](O)C)C(C)C)Cc1ccccc1)CC(=O)N)CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](C(C)C)N)Cc1nc[nH]c1)CCCN=C(N)N)CC(C)C)C)CC(C)C)CC(C)C)CO)CCCN=C(N)N)CO" . "LBOFHYKFMRHUFW-YVQXRMNASA-N" . "InChI=1S/C139H229N43O39/c1-66(2)48-85(160-102(192)60-154-112(195)74(17)158-119(202)86(49-67(3)4)166-117(200)83(40-31-45-151-138(146)147)162-122(205)89(53-80-57-150-65-157-80)171-135(218)111(77(20)187)181-130(213)105(145)69(7)8)120(203)167-87(50-68(5)6)121(204)175-96(64-185)128(211)164-84(41-32-46-152-139(148)149)118(201)174-94(62-183)114(197)155-58-101(191)153-59-104(194)176-107(71(11)12)133(216)178-108(72(13)14)132(215)165-82(39-28-30-44-141)116(199)169-90(54-98(142)188)124(207)170-91(55-99(143)189)123(206)168-88(51-78-34-23-21-24-35-78)125(208)179-109(73(15)16)136(219)182-47-33-42-97(182)129(212)180-110(76(19)186)134(217)172-92(56-100(144)190)126(209)177-106(70(9)10)131(214)156-61-103(193)161-95(63-184)127(210)163-81(38-27-29-43-140)115(198)159-75(18)113(196)173-93(137(220)221)52-79-36-25-22-26-37-79/h21-26,34-37,57,65-77,81-97,105-111,183-187H,27-33,38-56,58-64,140-141,145H2,1-20H3,(H2,142,188)(H2,143,189)(H2,144,190)(H,150,157)(H,153,191)(H,154,195)(H,155,197)(H,156,214)(H,158,202)(H,159,198)(H,160,192)(H,161,193)(H,162,205)(H,163,210)(H,164,211)(H,165,215)(H,166,200)(H,167,203)(H,168,206)(H,169,199)(H,170,207)(H,171,218)(H,172,217)(H,173,196)(H,174,201)(H,175,204)(H,176,194)(H,177,209)(H,178,216)(H,179,208)(H,180,212)(H,181,213)(H,220,221)(H4,146,147,151)(H4,148,149,152)/t74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,105-,106-,107-,108-,109-,110-,111-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)C)CCCCN)CO)C(C)C)CC(=O)N)C(O)C)C(C)C)Cc1ccccc1)CC(=O)N)CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)O)N)C)CS)CC(=O)O)C)CS)Cc1nc[nH]c1)CCCN=C(N)N)CC(C)C)C)CC(C)C)CC(C)C)CO)CCCN=C(N)N)CO " . "CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(C)C" . "UQSHHVABFISEOB-GPBSWCBHSA-N" . "InChI=1S/C172H278N52O51S2/c1-78(2)56-105(196-124(237)70-188-138(243)86(17)193-148(253)106(57-79(3)4)203-146(251)102(44-35-53-185-171(180)181)198-151(256)109(62-97-67-184-77-191-97)209-168(273)136(93(24)231)223-165(270)131(84(13)14)217-160(265)118(76-277)214-169(274)134(91(22)229)220-141(246)89(20)195-166(271)133(90(21)228)221-156(261)113(66-127(240)241)208-159(264)117(75-276)213-140(245)87(18)192-142(247)99(175)59-96-47-49-98(232)50-48-96)149(254)204-107(58-80(5)6)150(255)212-116(74-227)158(263)200-103(45-36-54-186-172(182)183)147(252)211-114(72-225)143(248)189-68-123(236)187-69-126(239)215-129(82(9)10)164(269)218-130(83(11)12)163(268)201-101(43-32-34-52-174)145(250)206-110(63-120(176)233)153(258)207-111(64-121(177)234)152(257)205-108(61-95-40-29-26-30-41-95)154(259)219-132(85(15)16)170(275)224-55-37-46-119(224)161(266)222-135(92(23)230)167(272)210-112(65-122(178)235)155(260)216-128(81(7)8)162(267)190-71-125(238)197-115(73-226)157(262)199-100(42-31-33-51-173)144(249)194-88(19)139(244)202-104(137(179)242)60-94-38-27-25-28-39-94/h25-30,38-41,47-50,67,77-93,99-119,128-136,225-232,276-277H,31-37,42-46,51-66,68-76,173-175H2,1-24H3,(H2,176,233)(H2,177,234)(H2,178,235)(H2,179,242)(H,184,191)(H,187,236)(H,188,243)(H,189,248)(H,190,267)(H,192,247)(H,193,253)(H,194,249)(H,195,271)(H,196,237)(H,197,238)(H,198,256)(H,199,262)(H,200,263)(H,201,268)(H,202,244)(H,203,251)(H,204,254)(H,205,257)(H,206,250)(H,207,258)(H,208,264)(H,209,273)(H,210,272)(H,211,252)(H,212,255)(H,213,245)(H,214,274)(H,215,239)(H,216,260)(H,217,265)(H,218,269)(H,219,259)(H,220,246)(H,221,261)(H,222,266)(H,223,270)(H,240,241)(H4,180,181,185)(H4,182,183,186)/t86-,87-,88-,89-,90+,91+,92+,93+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,128-,129-,130-,131-,132-,133-,134-,135-,136-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)O)CO)C(O)C)CC(=O)N)C(O)C)CCCN=C(N)N)Cc1ccc(cc1)O)C(O)C)CCC(=O)N)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(C(C)C)NC(=O)C(CS)N)CC(C)C)CCCCN)CC(C)C)CO)CCC(=O)N)CCC(=O)O)CC(C)C)Cc1nc[nH]c1 " . "CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O" . "TXYDMAIIBMZDGF-UDXYTFIASA-N" . "InChI=1S/C113H188N34O36S/c1-53(2)38-71(139-109(180)88(57(9)10)143-92(163)64(116)51-184)93(164)124-46-84(157)128-65(20-14-16-34-114)95(166)135-74(41-56(7)8)103(174)142-79(50-149)106(177)133-68(28-31-81(117)154)97(168)131-70(30-33-86(159)160)98(169)137-73(40-55(5)6)102(173)138-75(43-62-45-122-52-127-62)104(175)130-66(21-15-17-35-115)96(167)136-72(39-54(3)4)101(172)132-69(29-32-82(118)155)100(171)146-91(60(13)152)111(182)141-77(42-61-24-26-63(153)27-25-61)112(183)147-37-19-23-80(147)107(178)134-67(22-18-36-123-113(120)121)99(170)145-90(59(12)151)110(181)140-76(44-83(119)156)105(176)144-89(58(11)150)108(179)125-47-85(158)129-78(49-148)94(165)126-48-87(161)162/h24-27,45,52-60,64-80,88-91,148-153,184H,14-23,28-44,46-51,114-116H2,1-13H3,(H2,117,154)(H2,118,155)(H2,119,156)(H,122,127)(H,124,164)(H,125,179)(H,126,165)(H,128,157)(H,129,158)(H,130,175)(H,131,168)(H,132,172)(H,133,177)(H,134,178)(H,135,166)(H,136,167)(H,137,169)(H,138,173)(H,139,180)(H,140,181)(H,141,182)(H,142,174)(H,143,163)(H,144,176)(H,145,170)(H,146,171)(H,159,160)(H,161,162)(H4,120,121,123)/t58-,59-,60-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,88+,89+,90+,91+/m1/s1" . "O=C(C=Cc1ccc(cc1)C(=O)N(C)C)NCC(=O)N(c1ccc(c(c1Cl)COc1cccn2c1nc(c2Br)C)Cl)C" . "O=C(/C=C/c1ccc(cc1)C(=O)N(C)C)NCC(=O)N(c1ccc(c(c1Cl)COc1cccn2c1nc(c2Br)C)Cl)C" . "NDOBHDUXUJNXHX-NTEUORMPSA-N" . "InChI=1S/C30H28BrCl2N5O4/c1-18-28(31)38-15-5-6-24(29(38)35-18)42-17-21-22(32)12-13-23(27(21)33)37(4)26(40)16-34-25(39)14-9-19-7-10-20(11-8-19)30(41)36(2)3/h5-15H,16-17H2,1-4H3,(H,34,39)/b14-9+" . "OC(COc1ccc(cc1)CC(=O)N)CNC(C)C" . "OC(COc1ccc(cc1)CC(=O)N)CNC(C)C" . "METKIMKYRPQLGS-UHFFFAOYSA-N" . "InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)C)C(C)C)[C@H](CC)C)C)[C@H](O)C)CCC(=O)N)Cc1ccccc1)[C@H](O)C)Cc1nc[nH]c1)Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](N)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N1)[C@H](O)C)CO)CC(C)C)CC(=O)N)CCSC)CC(C)C)Cc1ccc(cc1)O)CCC(=O)N)CC(=O)O)Cc1ccccc1)CC(=O)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)C)C(C)C)[C@H](CC)C)C)[C@H](O)C)CCC(=O)N)Cc1ccccc1)[C@H](O)C)Cc1nc[nH]c1)Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](N)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N1)[C@H](O)C)CO)CC(C)C)CC(=O)N)CCSC)CC(C)C)Cc1ccc(cc1)O)CCC(=O)N)CC(=O)O)Cc1ccccc1)CC(=O)N" . "LDVRMNJZLWXJPL-GXQFRRLTSA-N" . "InChI=1S/C151H226N40O45S3/c1-17-75(8)118(144(229)163-67-114(205)183-117(74(6)7)143(228)162-64-112(203)165-77(10)150(235)190-50-29-38-106(190)124(158)209)185-125(210)76(9)166-145(230)120(79(12)194)186-131(216)92(45-47-109(155)200)170-142(227)107-39-30-51-191(107)151(236)103(58-85-35-25-20-26-36-85)180-148(233)122(81(14)196)188-139(224)99(59-87-63-159-71-164-87)176-133(218)96(55-83-31-21-18-22-32-83)174-128(213)90(37-27-28-49-152)168-136(221)101(61-111(157)202)177-134(219)97(56-84-33-23-19-24-34-84)175-137(222)102(62-116(207)208)178-129(214)91(44-46-108(154)199)171-147(232)121(80(13)195)187-138(223)98(57-86-40-42-88(198)43-41-86)179-146(231)119(78(11)193)184-115(206)66-161-127(212)94(53-72(2)3)172-130(215)93(48-52-237-16)169-141(226)105-70-239-238-69-89(153)126(211)160-65-113(204)167-100(60-110(156)201)135(220)173-95(54-73(4)5)132(217)181-104(68-192)140(225)189-123(82(15)197)149(234)182-105/h18-26,31-36,40-43,63,71-82,89-107,117-123,192-198H,17,27-30,37-39,44-62,64-70,152-153H2,1-16H3,(H2,154,199)(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,209)(H,159,164)(H,160,211)(H,161,212)(H,162,228)(H,163,229)(H,165,203)(H,166,230)(H,167,204)(H,168,221)(H,169,226)(H,170,227)(H,171,232)(H,172,215)(H,173,220)(H,174,213)(H,175,222)(H,176,218)(H,177,219)(H,178,214)(H,179,231)(H,180,233)(H,181,217)(H,182,234)(H,183,205)(H,184,206)(H,185,210)(H,186,216)(H,187,223)(H,188,224)(H,189,225)(H,207,208)/t75-,76-,77-,78+,79+,80+,81+,82+,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,117-,118-,119-,120-,121-,122-,123?/m0/s1" . "CN(CCN(C)C)CCNC(=O)C1CCCN1S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])NNC(=S)NC(c1ccccc1)c1ccccc1" . "CN(CCN(C)C)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])NNC(=S)NC(c1ccccc1)c1ccccc1" . "ZIBIVIRBYMBEHZ-NDEPHWFRSA-N" . "InChI=1S/C32H42N8O5S2/c1-37(2)21-22-38(3)20-18-33-31(41)28-15-10-19-39(28)47(44,45)26-16-17-27(29(23-26)40(42)43)35-36-32(46)34-30(24-11-6-4-7-12-24)25-13-8-5-9-14-25/h4-9,11-14,16-17,23,28,30,35H,10,15,18-22H2,1-3H3,(H,33,41)(H2,34,36,46)/t28-/m0/s1" . "Cc1cc(C)c2c(n1)c(ccc2)OCc1c(Cl)ccc(c1Cl)S(=O)(=O)N1CCCC1C(=O)NCCCNC(=O)c1ccc(cc1)C(=N)N" . "Cc1cc(C)c2c(n1)c(ccc2)OCc1c(Cl)ccc(c1Cl)S(=O)(=O)N1CCC[C@H]1C(=O)NCCCNC(=O)c1ccc(cc1)C(=N)N" . "XUHBBTKJWIBQMY-MHZLTWQESA-N" . "InChI=1S/C34H36Cl2N6O5S/c1-20-18-21(2)41-31-24(20)6-3-8-28(31)47-19-25-26(35)13-14-29(30(25)36)48(45,46)42-17-4-7-27(42)34(44)40-16-5-15-39-33(43)23-11-9-22(10-12-23)32(37)38/h3,6,8-14,18,27H,4-5,7,15-17,19H2,1-2H3,(H3,37,38)(H,39,43)(H,40,44)/t27-/m0/s1" . "CCCC[P+](Cc1ccc(cc1)NC(=O)C(Cc1ccc2c(c1)cccc2)NC(=NC1CCCCC1)NC1CCCCC1)(CCCC)CCCC.[Cl-]" . "CCCC[P+](Cc1ccc(cc1)NC(=O)[C@H](Cc1ccc2c(c1)cccc2)NC(=NC1CCCCC1)NC1CCCCC1)(CCCC)CCCC.[Cl-]" . "MJWYKJXHACNJCD-SXWPEPABSA-N" . "InChI=1S/C45H67N4OP.ClH/c1-4-7-30-51(31-8-5-2,32-9-6-3)35-36-25-28-42(29-26-36)46-44(50)43(34-37-24-27-38-18-16-17-19-39(38)33-37)49-45(47-40-20-12-10-13-21-40)48-41-22-14-11-15-23-41;/h16-19,24-29,33,40-41,43H,4-15,20-23,30-32,34-35H2,1-3H3,(H2-,46,47,48,49,50);1H/t43-;/m0./s1" . "OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)Cc1ccccc1)Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C1CC(CN1C(=O)C1CCCN1C(=O)C(NC(=O)C(CCCN=C(N)N)N)CCCN=C(N)N)O" . "OC[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)Cc1ccccc1)Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](CCCN=C(N)N)N)CCCN=C(N)N)O" . "RBIXVHPHNGXTCI-QJTYZATASA-N" . "InChI=1S/C60H87N19O13/c61-39(20-10-24-68-58(62)63)49(83)73-40(21-11-25-69-59(64)65)55(89)78-27-13-23-46(78)56(90)79-33-38(81)31-47(79)54(88)71-32-48(82)72-42(28-35-14-4-1-5-15-35)50(84)77-45(34-80)53(87)76-44(30-37-18-8-3-9-19-37)52(86)75-43(29-36-16-6-2-7-17-36)51(85)74-41(57(91)92)22-12-26-70-60(66)67/h1-9,14-19,38-47,80-81H,10-13,20-34,61H2,(H,71,88)(H,72,82)(H,73,83)(H,74,85)(H,75,86)(H,76,87)(H,77,84)(H,91,92)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t38-,39-,40+,41+,42+,43+,44-,45+,46+,47+/m1/s1" . "OCC(C(=O)NC(C(=O)N(C(C(C(=O)C1CCCN1C(=O)C(NC(=O)C(CCCN=C(N)N)N)CCCN=C(N)N)CCN=C(N)N)(C(=O)CNC(=O)C1NCC(C1)O)C(=O)O)C(=O)C(Cc1cccs1)N)Cc1ccccc1)NC(=O)C(Cc1cccs1)N" . "OC[C@@H](C(=O)N[C@@H](C(=O)N([C@](C(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](CCCN=C(N)N)N)CCCN=C(N)N)CCN=C(N)N)(C(=O)CNC(=O)[C@H]1NC[C@@H](C1)O)C(=O)O)C(=O)[C@H](Cc1cccs1)N)Cc1ccccc1)NC(=O)[C@H](Cc1cccs1)N" . "MHBUKMPYIGAURU-WIDHDRDXSA-N" . "InChI=1S/C56H83N19O13S2/c57-35(13-4-17-66-53(60)61)45(80)71-38(14-5-18-67-54(62)63)50(85)74-20-6-15-42(74)44(79)34(16-19-68-55(64)65)56(52(87)88,43(78)28-70-47(82)39-24-31(77)27-69-39)75(49(84)37(59)26-33-12-8-22-90-33)51(86)40(23-30-9-2-1-3-10-30)72-48(83)41(29-76)73-46(81)36(58)25-32-11-7-21-89-32/h1-3,7-12,21-22,31,34-42,69,76-77H,4-6,13-20,23-29,57-59H2,(H,70,82)(H,71,80)(H,72,83)(H,73,81)(H,87,88)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)/t31-,34?,35-,36+,37+,38+,39+,40-,41+,42+,56-/m1/s1" . "CC(=O)Nc1ccc(cn1)C=CC(=O)NCC(=O)N(c1ccc(c(c1Cl)COc1cccc2c1nc(C)cc2)Cl)C" . "CC(=O)Nc1ccc(cn1)/C=C/C(=O)NCC(=O)N(c1ccc(c(c1Cl)COc1cccc2c1nc(C)cc2)Cl)C" . "XCKWRUGRUFVXGC-NTEUORMPSA-N" . "InChI=1S/C30H27Cl2N5O4/c1-18-7-10-21-5-4-6-25(30(21)35-18)41-17-22-23(31)11-12-24(29(22)32)37(3)28(40)16-34-27(39)14-9-20-8-13-26(33-15-20)36-19(2)38/h4-15H,16-17H2,1-3H3,(H,34,39)(H,33,36,38)/b14-9+" . "COc1nc2c(n1Cc1ccccn1)cccc2OCc1c(Cl)ccc(c1Cl)N(C(=O)CNC(=O)C=Cc1ccc(nc1)NC(=O)C)C" . "COc1nc2c(n1Cc1ccccn1)cccc2OCc1c(Cl)ccc(c1Cl)N(C(=O)CNC(=O)/C=C/c1ccc(nc1)NC(=O)C)C" . "KXMCFJQQOFOBKN-RVDMUPIBSA-N" . "InChI=1S/C34H31Cl2N7O5/c1-21(44)40-29-14-10-22(17-38-29)11-15-30(45)39-18-31(46)42(2)26-13-12-25(35)24(32(26)36)20-48-28-9-6-8-27-33(28)41-34(47-3)43(27)19-23-7-4-5-16-37-23/h4-17H,18-20H2,1-3H3,(H,39,45)(H,38,40,44)/b15-11+" . "CNC(=O)c1ccc(cc1)C=CC(=O)NCC(=O)N(c1ccc(c(c1Cl)COc1cccc2c1nc(C)cc2OCc1ccccn1)Cl)C" . "CNC(=O)c1ccc(cc1)/C=C/C(=O)NCC(=O)N(c1ccc(c(c1Cl)COc1cccc2c1nc(C)cc2OCc1ccccn1)Cl)C" . "YFMDLMSUZMRKKH-SFQUDFHCSA-N" . "InChI=1S/C37H33Cl2N5O5/c1-23-19-32(48-21-26-7-4-5-18-41-26)27-8-6-9-31(36(27)43-23)49-22-28-29(38)15-16-30(35(28)39)44(3)34(46)20-42-33(45)17-12-24-10-13-25(14-11-24)37(47)40-2/h4-19H,20-22H2,1-3H3,(H,40,47)(H,42,45)/b17-12+" . "OC[C@@H](C(=O)N1Cc2ccccc2CC1C(=O)N1[C@H]2CCCC[C@H]2CC1C(=O)N[C@H](C(=O)O)CCCN=C(N)N)NC(=O)[C@H](Cc1cccs1)NC(=O)CNC(=O)C1C[C@H](CN1C(=O)C1CCCN1C(=O)C(NC(=O)[C@@H](CCCN=C(N)N)N)CCCN=C(N)N)O" . "OC[C@@H](C(=O)N1Cc2ccccc2CC1C(=O)N1[C@H]2CCCC[C@H]2CC1C(=O)N[C@H](C(=O)O)CCCN=C(N)N)NC(=O)[C@H](Cc1cccs1)NC(=O)CNC(=O)C1C[C@H](CN1C(=O)C1CCCN1C(=O)C(NC(=O)[C@@H](CCCN=C(N)N)N)CCCN=C(N)N)O" . "QURWXBZNHXJZBE-MCDGZUPGSA-N" . "InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38?,39-,40-,41-,42-,43?,44?,45?,46?/m0/s1" . "CCCN1C(=O)C(NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2cccnc2)N=C(c2c1cccc2)C1CCCCC1" . "CCCN1C(=O)C(NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2cccnc2)N=C(c2c1cccc2)C1CCCCC1" . "AIHOVEHIRAAXQV-UHFFFAOYSA-N" . "InChI=1S/C34H41N7O2/c1-2-19-41-30-13-7-6-12-29(30)31(25-9-4-3-5-10-25)37-32(33(41)42)38-34(43)36-26-14-16-27(17-15-26)39-20-22-40(23-21-39)28-11-8-18-35-24-28/h6-8,11-18,24-25,32H,2-5,9-10,19-23H2,1H3,(H2,36,38,43)" . "O=C(CC1C(=O)Nc2c(N1S(=O)(=O)c1ccc(c(c1)Cl)Cl)cccc2)NCCc1ccc(cc1)C1=NCCN1" . "O=C(C[C@@H]1C(=O)Nc2c(N1S(=O)(=O)c1ccc(c(c1)Cl)Cl)cccc2)NCCc1ccc(cc1)C1=NCCN1" . "HYJYRDCPGUEYND-XMMPIXPASA-N" . "InChI=1S/C27H25Cl2N5O4S/c28-20-10-9-19(15-21(20)29)39(37,38)34-23-4-2-1-3-22(23)33-27(36)24(34)16-25(35)30-12-11-17-5-7-18(8-6-17)26-31-13-14-32-26/h1-10,15,24H,11-14,16H2,(H,30,35)(H,31,32)(H,33,36)/t24-/m1/s1" . "O=C(CC(c1ccccc1)NS(=O)(=O)c1ccc2c(c1)cccc2)NC1CCOc2c1ccc(c2)CN1CCCCC1" . "O=C(C[C@H](c1ccccc1)NS(=O)(=O)c1ccc2c(c1)cccc2)N[C@@H]1CCOc2c1ccc(c2)CN1CCCCC1" . "IQPWKAIEQBOLPJ-ROJLCIKYSA-N" . "InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m1/s1" . "COc1ccc2c(c1)ccc(c2)S(=O)(=O)NC(c1ccc2c(c1)OCO2)CC(=O)NC(C(=O)N(C(C)C)C)Cc1ccc(cc1)CN1C(C)CCCC1C" . "COc1ccc2c(c1)ccc(c2)S(=O)(=O)N[C@@H](c1ccc2c(c1)OCO2)CC(=O)N[C@@H](C(=O)N(C(C)C)C)Cc1ccc(cc1)CN1[C@H](C)CCC[C@@H]1C" . "QGWIQIAWOCJRPI-WSCVWKGISA-N" . "InChI=1S/C42H52N4O7S/c1-27(2)45(5)42(48)38(20-30-10-12-31(13-11-30)25-46-28(3)8-7-9-29(46)4)43-41(47)24-37(34-16-19-39-40(23-34)53-26-52-39)44-54(49,50)36-18-15-32-21-35(51-6)17-14-33(32)22-36/h10-19,21-23,27-29,37-38,44H,7-9,20,24-26H2,1-6H3,(H,43,47)/t28-,29+,37-,38-/m1/s1" . "OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C" . "O[C@H](COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C" . "UMQUQWCJKFOUGV-VIFPVBQESA-N" . "InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)/t9-/m0/s1" . "Clc1ccc(cc1)CNC(=O)C(Nc1nc(NCc2cccc(c2)Cl)nc(c1)n1ccnc1)CC1CCCCC1" . "Clc1ccc(cc1)CNC(=O)C(Nc1nc(NCc2cccc(c2)Cl)nc(c1)n1ccnc1)CC1CCCCC1" . "HIENPNTVAACRGD-UHFFFAOYSA-N" . "InChI=1S/C30H33Cl2N7O/c31-24-11-9-22(10-12-24)18-34-29(40)26(16-21-5-2-1-3-6-21)36-27-17-28(39-14-13-33-20-39)38-30(37-27)35-19-23-7-4-8-25(32)15-23/h4,7-15,17,20-21,26H,1-3,5-6,16,18-19H2,(H,34,40)(H2,35,36,37,38)" . "CN1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(c(c1)C(=O)N1CCOCC1)NCC(c1ccccc1)c1ccccc1" . "CN1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(c(c1)C(=O)N1CCOCC1)NCC(c1ccccc1)c1ccccc1" . "VODUCDWVPSEMSZ-UHFFFAOYSA-N" . "InChI=1S/C36H45N5O5S/c1-38-18-20-39(21-19-38)35(42)30-14-16-41(17-15-30)47(44,45)31-12-13-34(32(26-31)36(43)40-22-24-46-25-23-40)37-27-33(28-8-4-2-5-9-28)29-10-6-3-7-11-29/h2-13,26,30,33,37H,14-25,27H2,1H3" . "CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl" . "CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl" . "PSIFNNKUMBGKDQ-UHFFFAOYSA-N" . "InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)" . "CCCOC1CNC(C1)C(=O)N(C(C(C(=O)C1CCCN1C(=O)C(NC(=O)C(CCCN=C(N)N)N)CCCN=C(N)N)CCN=C(N)N)(C(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C1NCC(C1)O)CO)C(=O)O)C(=O)C1NC2C(C1)CCCC2" . "CCCO[C@@H]1CN[C@H](C1)C(=O)N([C@@](C(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](CCCN=C(N)N)N)CCCN=C(N)N)CCN=C(N)N)(C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H]1NCC(C1)O)CO)C(=O)O)C(=O)C1N[C@@H]2[C@H](C1)CCCC2" . "WYWZCALINPVKJW-KOCZGPIPSA-N" . "InChI=1S/C59H95N19O14/c1-2-23-92-35-27-42(71-29-35)53(88)78(54(89)43-25-33-13-6-7-15-38(33)73-43)59(55(90)91,48(83)44(31-79)76-51(86)41(24-32-11-4-3-5-12-32)74-46(81)30-72-50(85)40-26-34(80)28-70-40)36(18-21-69-58(65)66)47(82)45-17-10-22-77(45)52(87)39(16-9-20-68-57(63)64)75-49(84)37(60)14-8-19-67-56(61)62/h3-5,11-12,33-45,70-71,73,79-80H,2,6-10,13-31,60H2,1H3,(H,72,85)(H,74,81)(H,75,84)(H,76,86)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,34?,35-,36?,37+,38-,39-,40-,41-,42+,43?,44-,45-,59-/m0/s1" . "OCC(C(=O)NC1CSc2c(N(C1=O)CC(=O)O)cccc2)NC(=O)C(Cc1cccs1)NC(=O)CNC(=O)C1CC(CN1C(=O)C1CCCN1C(=O)C(NC(=O)C(CCCN=C(N)N)N)CCCN=C(N)N)O" . "OC[C@@H](C(=O)N[C@@H]1CSc2c(N(C1=O)CC(=O)O)cccc2)NC(=O)C(Cc1cccs1)NC(=O)CNC(=O)[C@@H]1CC(CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)C(CCCN=C(N)N)N)CCCN=C(N)N)O" . "YMROZBYZFLPAPA-RONNJKQASA-N" . "InChI=1S/C45H65N15O12S2/c46-26(8-3-13-51-44(47)48)37(66)55-27(9-4-14-52-45(49)50)41(70)58-15-5-11-32(58)43(72)59-20-24(62)17-33(59)40(69)53-19-35(63)54-28(18-25-7-6-16-73-25)38(67)56-29(22-61)39(68)57-30-23-74-34-12-2-1-10-31(34)60(42(30)71)21-36(64)65/h1-2,6-7,10,12,16,24,26-30,32-33,61-62H,3-5,8-9,11,13-15,17-23,46H2,(H,53,69)(H,54,63)(H,55,66)(H,56,67)(H,57,68)(H,64,65)(H4,47,48,51)(H4,49,50,52)/t24?,26?,27-,28?,29+,30-,32+,33+/m1/s1" . "NCCCCC(C(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)Cc1ccccc1)CO)Cc1ccccc1)CCCN=C(N)N)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)Cc1ccccc1)CO)Cc1ccccc1)CCCN=C(N)N)N" . "FYSKZKQBTVLYEQ-FSLKYBNLSA-N" . "InChI=1S/C56H85N17O12/c57-24-8-7-18-36(58)46(76)67-37(19-9-25-63-55(59)60)51(81)73-29-13-23-44(73)53(83)72-28-11-21-42(72)49(79)65-32-45(75)66-39(30-34-14-3-1-4-15-34)47(77)70-41(33-74)52(82)71-27-12-22-43(71)50(80)69-40(31-35-16-5-2-6-17-35)48(78)68-38(54(84)85)20-10-26-64-56(61)62/h1-6,14-17,36-44,74H,7-13,18-33,57-58H2,(H,65,79)(H,66,75)(H,67,76)(H,68,78)(H,69,80)(H,70,77)(H,84,85)(H4,59,60,63)(H4,61,62,64)/t36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1" . "OCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(CCCN=C(N)N)N" . "OC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)N" . "QXZGBUJJYSLZLT-FDISYFBBSA-N" . "InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CO)Cc1ccccc1)CCCN=C(N)N)N " . "NCCCC[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)O" . "YYOXJDIFFHDALP-QUQVWLGBSA-N" . "InChI=1S/C36H57N11O9/c37-15-5-4-11-23(38)30(50)44-24(12-6-16-41-36(39)40)33(53)47-18-8-14-28(47)34(54)46-17-7-13-27(46)32(52)42-20-29(49)43-25(19-22-9-2-1-3-10-22)31(51)45-26(21-48)35(55)56/h1-3,9-10,23-28,48H,4-8,11-21,37-38H2,(H,42,52)(H,43,49)(H,44,50)(H,45,51)(H,55,56)(H4,39,40,41)/t23-,24-,25-,26-,27-,28-/m0/s1" . "CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2" . "CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2" . "RMMXLENWKUUMAY-UHFFFAOYSA-N" . "InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)" . "CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C" . "CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C" . "UQGKUQLKSCSZGY-UHFFFAOYSA-N" . "InChI=1S/C29H30N6O6/c1-5-8-23-30-25(29(3,4)38)24(27(36)39-16-22-17(2)40-28(37)41-22)35(23)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)26-31-33-34-32-26/h6-7,9-14,38H,5,8,15-16H2,1-4H3,(H,31,32,33,34)" . "CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2" . "CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2" . "YOSHYTLCDANDAN-UHFFFAOYSA-N" . "InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)" . "NCCCCC(C(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)O)CO)Cc1ccccc1)CCCN=C(N)N)N " . "NCCCC[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O" . "WNGUWEHGRDFXEE-YYGRSCHNSA-N" . "InChI=1S/C41H64N12O10/c42-17-5-4-12-26(43)34(56)49-27(13-6-18-46-41(44)45)37(59)52-20-8-15-31(52)39(61)51-19-7-14-30(51)36(58)47-23-33(55)48-28(22-25-10-2-1-3-11-25)35(57)50-29(24-54)38(60)53-21-9-16-32(53)40(62)63/h1-3,10-11,26-32,54H,4-9,12-24,42-43H2,(H,47,58)(H,48,55)(H,49,56)(H,50,57)(H,62,63)(H4,44,45,46)/t26-,27-,28-,29-,30-,31-,32-/m0/s1" . "OCC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(CCCN=C(N)N)N" . "OCC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(CCCN=C(N)N)N" . "VCEHWDBVPZFHAG-UHFFFAOYSA-N" . "InChI=1S/C44H61N11O10/c45-29(15-7-19-48-44(46)47)40(61)55-22-10-18-35(55)42(63)54-21-8-16-33(54)38(59)49-25-36(57)50-30(23-27-11-3-1-4-12-27)37(58)52-32(26-56)41(62)53-20-9-17-34(53)39(60)51-31(43(64)65)24-28-13-5-2-6-14-28/h1-6,11-14,29-35,56H,7-10,15-26,45H2,(H,49,59)(H,50,57)(H,51,60)(H,52,58)(H,64,65)(H4,46,47,48)" . "CCC(C(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccccc1)CO)Cc1ccccc1)CCCN=C(N)N)CO)N)C " . "CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O" . "CBMZEVSWOFDCEK-FZCIQGMESA-N" . "InChI=1S/C53H77N13O13/c1-3-31(2)43(54)48(74)62-37(29-67)45(71)60-34(18-10-22-57-53(55)56)49(75)66-25-13-21-41(66)51(77)65-24-11-19-39(65)46(72)58-28-42(69)59-35(26-32-14-6-4-7-15-32)44(70)63-38(30-68)50(76)64-23-12-20-40(64)47(73)61-36(52(78)79)27-33-16-8-5-9-17-33/h4-9,14-17,31,34-41,43,67-68H,3,10-13,18-30,54H2,1-2H3,(H,58,72)(H,59,69)(H,60,71)(H,61,73)(H,62,74)(H,63,70)(H,78,79)(H4,55,56,57)/t31-,34-,35-,36-,37-,38-,39-,40-,41-,43-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccccc1)CO)Cc1ccccc1)CCCN=C(N)N)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)Cc1ccccc1)CO)Cc1ccccc1)CCCN=C(N)N)N" . "AILVBOHFGXNHCC-TZPCGENMSA-N" . "InChI=1S/C50H73N13O11/c51-22-8-7-17-33(52)42(66)58-34(18-9-23-55-50(53)54)46(70)63-26-12-21-40(63)48(72)62-25-10-19-38(62)44(68)56-29-41(65)57-35(27-31-13-3-1-4-14-31)43(67)60-37(30-64)47(71)61-24-11-20-39(61)45(69)59-36(49(73)74)28-32-15-5-2-6-16-32/h1-6,13-16,33-40,64H,7-12,17-30,51-52H2,(H,56,68)(H,57,65)(H,58,66)(H,59,69)(H,60,67)(H,73,74)(H4,53,54,55)/t33-,34-,35-,36-,37-,38-,39-,40-/m0/s1" . "CNCC(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccccc1)CO)Cc1ccccc1)CCCN=C(N)N" . "CNCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)O)Cc1ccccc1)CO)Cc1ccccc1)CCCN=C(N)N" . "YIUBSFCQATYQJB-VCMDLEIESA-N" . "InChI=1S/C47H66N12O11/c1-50-26-38(61)53-31(16-8-20-51-47(48)49)43(66)59-23-11-19-37(59)45(68)58-22-9-17-35(58)41(64)52-27-39(62)54-32(24-29-12-4-2-5-13-29)40(63)56-34(28-60)44(67)57-21-10-18-36(57)42(65)55-33(46(69)70)25-30-14-6-3-7-15-30/h2-7,12-15,31-37,50,60H,8-11,16-28H2,1H3,(H,52,64)(H,53,61)(H,54,62)(H,55,65)(H,56,63)(H,69,70)(H4,48,49,51)/t31-,32-,33+,34-,35-,36-,37-/m0/s1" . "OCC(C(=O)N1CCCC1C(=O)NC(C(=O)O)CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(CCCN=C(N)N)N" . "OC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)N" . "BGAPYBBQGHUQNM-YYGRSCHNSA-N" . "InChI=1S/C41H63N11O10/c1-24(2)20-28(40(61)62)48-36(57)31-14-8-17-50(31)38(59)29(23-53)49-34(55)27(21-25-10-4-3-5-11-25)47-33(54)22-46-35(56)30-13-7-18-51(30)39(60)32-15-9-19-52(32)37(58)26(42)12-6-16-45-41(43)44/h3-5,10-11,24,26-32,53H,6-9,12-23,42H2,1-2H3,(H,46,56)(H,47,54)(H,48,57)(H,49,55)(H,61,62)(H4,43,44,45)/t26-,27-,28-,29-,30-,31-,32-/m0/s1" . "OCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(C(CC)C)N)CO)CCCN=C(N)N" . "OC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)N)CO)CCCN=C(N)N" . "GKCWYHPGFSRBQV-WRBAKOPXSA-N" . "InChI=1S/C59H89N17O14/c1-3-34(2)47(60)53(85)72-41(32-77)50(82)69-37(19-10-24-65-58(61)62)54(86)76-28-14-23-45(76)56(88)75-27-12-21-43(75)51(83)67-31-46(79)68-39(29-35-15-6-4-7-16-35)48(80)73-42(33-78)55(87)74-26-13-22-44(74)52(84)71-40(30-36-17-8-5-9-18-36)49(81)70-38(57(89)90)20-11-25-66-59(63)64/h4-9,15-18,34,37-45,47,77-78H,3,10-14,19-33,60H2,1-2H3,(H,67,83)(H,68,79)(H,69,82)(H,70,81)(H,71,84)(H,72,85)(H,73,80)(H,89,90)(H4,61,62,65)(H4,63,64,66)/t34-,37-,38-,39-,40-,41-,42-,43-,44-,45-,47-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)Cc1ccccc1)CO)Cc1ccccc1)CCCN=C(N)N)NC(=O)C(CCSC)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)Cc1ccccc1)CO)Cc1ccccc1)CCCN=C(N)N)NC(=O)[C@H](CCSC)N" . "SSXPFNXUSFJJEI-BHEJXMHWSA-N" . "InChI=1S/C61H94N18O13S/c1-93-32-25-39(63)50(82)72-40(19-8-9-26-62)51(83)73-41(20-10-27-68-60(64)65)56(88)79-31-14-24-48(79)58(90)78-30-12-22-46(78)54(86)70-35-49(81)71-43(33-37-15-4-2-5-16-37)52(84)76-45(36-80)57(89)77-29-13-23-47(77)55(87)75-44(34-38-17-6-3-7-18-38)53(85)74-42(59(91)92)21-11-28-69-61(66)67/h2-7,15-18,39-48,80H,8-14,19-36,62-63H2,1H3,(H,70,86)(H,71,81)(H,72,82)(H,73,83)(H,74,85)(H,75,87)(H,76,84)(H,91,92)(H4,64,65,68)(H4,66,67,69)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1" . "NCCCCC(C(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)Cc1ccccc1)CO)Cc1ccccc1)CCCN=C(N)N)NC(=O)C(CCCCN)N " . "NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O" . "PLJGSWAPCHRWMD-CUZNLEPHSA-N" . "InChI=1S/C62H97N19O13/c63-27-9-7-20-40(65)51(84)74-41(21-8-10-28-64)52(85)75-42(22-11-29-70-61(66)67)57(90)81-33-15-26-49(81)59(92)80-32-13-24-47(80)55(88)72-36-50(83)73-44(34-38-16-3-1-4-17-38)53(86)78-46(37-82)58(91)79-31-14-25-48(79)56(89)77-45(35-39-18-5-2-6-19-39)54(87)76-43(60(93)94)23-12-30-71-62(68)69/h1-6,16-19,40-49,82H,7-15,20-37,63-65H2,(H,72,88)(H,73,83)(H,74,84)(H,75,85)(H,76,87)(H,77,89)(H,78,86)(H,93,94)(H4,66,67,70)(H4,68,69,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1" . "O=C(NC(C(=O)NCCc1ccccc1)Cc1c[nH]c2c1cccc2)NNc1ccc(cc1)Cl" . "O=C(N[C@@H](C(=O)NCCc1ccccc1)Cc1c[nH]c2c1cccc2)NNc1ccc(cc1)Cl" . "SLTBMTIRYMGWLX-XMMPIXPASA-N" . "InChI=1S/C26H26ClN5O2/c27-20-10-12-21(13-11-20)31-32-26(34)30-24(16-19-17-29-23-9-5-4-8-22(19)23)25(33)28-15-14-18-6-2-1-3-7-18/h1-13,17,24,29,31H,14-16H2,(H,28,33)(H2,30,32,34)/t24-/m1/s1" . "COc1ccc(nc1)C1(CCCCC1)CNC(=O)C(Cc1c[nH]c2c1cccc2)(NC(=O)Nc1ccc(cc1)[N+](=O)[O-])C" . "COc1ccc(nc1)C1(CCCCC1)CNC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)Nc1ccc(cc1)[N+](=O)[O-])C" . "NNFUWNLENRUDHR-HKBQPEDESA-N" . "InChI=1S/C32H36N6O5/c1-31(18-22-19-33-27-9-5-4-8-26(22)27,37-30(40)36-23-10-12-24(13-11-23)38(41)42)29(39)35-21-32(16-6-3-7-17-32)28-15-14-25(43-2)20-34-28/h4-5,8-15,19-20,33H,3,6-7,16-18,21H2,1-2H3,(H,35,39)(H2,36,37,40)/t31-/m0/s1" . "CC(=CCc1c(O)ccc(c1O)C(=O)C1C(CC(=CC1c1c(O)cc(c2c1oc(c1ccc(cc1O)O)c(c2=O)CC=C(C)C)O)C)c1ccc(cc1O)O)C" . "CC(=CCc1c(O)ccc(c1O)C(=O)[C@H]1[C@@H](CC(=C[C@@H]1c1c(O)cc(c2c1oc(c1ccc(cc1O)O)c(c2=O)CC=C(C)C)O)C)c1ccc(cc1O)O)C" . "DKBPTKFKCCNXNH-QXGWMLRCSA-N" . "InChI=1S/C45H44O11/c1-21(2)6-10-27-33(48)15-14-29(41(27)53)42(54)38-31(26-12-8-24(46)18-34(26)49)16-23(5)17-32(38)39-36(51)20-37(52)40-43(55)30(11-7-22(3)4)44(56-45(39)40)28-13-9-25(47)19-35(28)50/h6-9,12-15,17-20,31-32,38,46-53H,10-11,16H2,1-5H3/t31-,32-,38-/m0/s1" . "O=C(NC(C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1ccc(cc1)[N+](=O)[O-]" . "O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1ccc(cc1)[N+](=O)[O-]" . "AFDXUTWMFMAQJO-PMERELPUSA-N" . "InChI=1S/C31H34N6O4/c1-30(19-22-20-33-26-10-4-3-9-25(22)26,36-29(39)35-23-12-14-24(15-13-23)37(40)41)28(38)34-21-31(16-6-2-7-17-31)27-11-5-8-18-32-27/h3-5,8-15,18,20,33H,2,6-7,16-17,19,21H2,1H3,(H,34,38)(H2,35,36,39)/t30-/m0/s1" . "O=C(NC(C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1c(cccc1C(C)C)C(C)C" . "O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1c(cccc1C(C)C)C(C)C" . "RVCSRPVACXMJEL-BHVANESWSA-N" . "InChI=1S/C37H47N5O2/c1-25(2)28-15-13-16-29(26(3)4)33(28)41-35(44)42-36(5,22-27-23-39-31-17-8-7-14-30(27)31)34(43)40-24-37(19-10-6-11-20-37)32-18-9-12-21-38-32/h7-9,12-18,21,23,25-26,39H,6,10-11,19-20,22,24H2,1-5H3,(H,40,43)(H2,41,42,44)/t36-/m0/s1" . "CSCCC(C(=O)N)NC(=O)C(NC(=O)C(Cc1[nH]cnc1)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C1CCC(=O)N1)CCC(=O)N)C)Cc1ccccc1" . "CSCCC(C(=O)N)NC(=O)C(NC(=O)C(Cc1[nH]cnc1)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C1CCC(=O)N1)CCC(=O)N)C)Cc1ccccc1" . "AUOCWSNQHWTPIJ-UHFFFAOYSA-N" . "InChI=1S/C61H84N16O13S/c1-32(2)50(60(89)66-30-49(80)70-45(27-37-29-64-31-67-37)58(87)73-43(25-35-13-8-7-9-14-35)57(86)71-40(52(63)81)22-24-91-6)75-53(82)34(5)68-56(85)44(26-36-28-65-39-16-11-10-15-38(36)39)74-54(83)42(18-20-47(62)78)72-59(88)46-17-12-23-77(46)61(90)51(33(3)4)76-55(84)41-19-21-48(79)69-41/h7-11,13-16,28-29,31-34,40-46,50-51,65H,12,17-27,30H2,1-6H3,(H2,62,78)(H2,63,81)(H,64,67)(H,66,89)(H,68,85)(H,69,79)(H,70,80)(H,71,86)(H,72,88)(H,73,87)(H,74,83)(H,75,82)(H,76,84)" . "Cc1cccc(c1NC1=NCCCS1)C" . "Cc1cccc(c1NC1=NCCCS1)C" . "BPICBUSOMSTKRF-UHFFFAOYSA-N" . "InChI=1S/C12H16N2S/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12/h3,5-6H,4,7-8H2,1-2H3,(H,13,14)" . "CSCCC(C(=O)N)NC(=O)C(NC(=O)C(Cc1nc[nH]c1)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCC(=O)N1)CCC(=O)N)CCCNC(=N)N)CC(C)C)CC(=O)N)CCC(=O)N)C)CC(C)C" . "CSCC[C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1nc[nH]c1)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CCC(=O)N)CCCNC(=N)N)CC(C)C)CC(=O)N)CCC(=O)N)C)CC(C)C" . "QXZBMSIDSOZZHK-DOPDSADYSA-N" . "InChI=1S/C71H110N24O18S/c1-34(2)24-47(92-62(105)43(14-11-22-79-71(76)77)89-64(107)45(15-18-52(72)96)90-63(106)44-17-20-55(99)85-44)61(104)81-31-56(100)87-51(28-54(74)98)69(112)91-46(16-19-53(73)97)65(108)94-49(26-38-29-80-41-13-10-9-12-40(38)41)66(109)84-37(7)60(103)95-58(36(5)6)70(113)82-32-57(101)86-50(27-39-30-78-33-83-39)68(111)93-48(25-35(3)4)67(110)88-42(59(75)102)21-23-114-8/h9-10,12-13,29-30,33-37,42-51,58,80H,11,14-28,31-32H2,1-8H3,(H2,72,96)(H2,73,97)(H2,74,98)(H2,75,102)(H,78,83)(H,81,104)(H,82,113)(H,84,109)(H,85,99)(H,86,101)(H,87,100)(H,88,110)(H,89,107)(H,90,106)(H,91,112)(H,92,105)(H,93,111)(H,94,108)(H,95,103)(H4,76,77,79)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,58-/m0/s1" . "CSCCC(C(=O)N)NC(=O)C(NC(=O)C(Cc1[nH]cnc1)NC(=O)CNC(=O)C(C(O)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)CN)CC(=O)N)CC(C)C)C)Cc1ccccc1" . "CSCCC(C(=O)N)NC(=O)C(NC(=O)C(Cc1[nH]cnc1)NC(=O)CNC(=O)C(C(O)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)CN)CC(=O)N)CC(C)C)C)Cc1ccccc1" . "YPFNACALNKVZNK-UHFFFAOYSA-N" . "InChI=1S/C52H73N15O12S/c1-27(2)17-36(64-51(78)40(21-41(54)69)61-42(70)22-53)48(75)66-38(19-31-23-57-34-14-10-9-13-33(31)34)47(74)60-28(3)46(73)67-44(29(4)68)52(79)58-25-43(71)62-39(20-32-24-56-26-59-32)50(77)65-37(18-30-11-7-6-8-12-30)49(76)63-35(45(55)72)15-16-80-5/h6-14,23-24,26-29,35-40,44,57,68H,15-22,25,53H2,1-5H3,(H2,54,69)(H2,55,72)(H,56,59)(H,58,79)(H,60,74)(H,61,70)(H,62,71)(H,63,76)(H,64,78)(H,65,77)(H,66,75)(H,67,73)" . "OC1CCC2(C(C1)CCC1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C" . "O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C" . "SMEROWZSTRWXGI-HVATVPOCSA-N" . "InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1" . "OC1CCC2(C(C1)CCC1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)C" . "O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C" . "KXGVEGMKQFWNSR-LLQZFEROSA-N" . "InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1" . "OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)O)C" . "O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C" . "BHQCQFFYRZLCQQ-OELDTZBJSA-N" . "InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1" . "OC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)O)C" . "O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C" . "RUDATBOHQWOJDD-BSWAIDMHSA-N" . "InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1" . "NC(=N)NCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N" . "NC(=N)NCCC[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N" . "LGLVVVCSQBZONM-HCCLCSBVSA-N" . "InChI=1S/C56H113N37O10/c1-29(94)85-31(12-3-21-77-49(60)61)40(96)87-33(14-5-23-79-51(64)65)42(98)89-35(16-7-25-81-53(68)69)44(100)91-37(18-9-27-83-55(72)73)46(102)93-38(19-10-28-84-56(74)75)47(103)92-36(17-8-26-82-54(70)71)45(101)90-34(15-6-24-80-52(66)67)43(99)88-32(13-4-22-78-50(62)63)41(97)86-30(39(57)95)11-2-20-76-48(58)59/h30-38H,2-28H2,1H3,(H2,57,95)(H,85,94)(H,86,97)(H,87,96)(H,88,99)(H,89,98)(H,90,101)(H,91,100)(H,92,103)(H,93,102)(H4,58,59,76)(H4,60,61,77)(H4,62,63,78)(H4,64,65,79)(H4,66,67,80)(H4,68,69,81)(H4,70,71,82)(H4,72,73,83)(H4,74,75,84)/t30-,31-,32-,33-,34-,35-,36-,37-,38-/m1/s1" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccccc1)CCSC)CCCCN)Cc1nc[nH]c1)CO)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)CCCN=C(N)N)Cc1ccccc1)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C1CCCN1C(=O)CNC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N)CCC(=O)N)CCCN=C(N)N)CCCN=C(N)N)CO)CCC(=O)N)CCCN=C(N)N)CCCN=C(N)N " . "CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O" . "BVTLGARMSLXAHI-VDEROMQGSA-N" . "InChI=1S/C185H298N68O42S/c1-100(2)83-108(188)148(265)246-147(102(5)6)173(290)238-122(60-63-140(191)258)175(292)252-80-33-55-135(252)170(287)233-111(43-20-67-209-178(192)193)150(267)221-94-144(262)248-76-29-52-132(248)167(284)234-118(49-26-73-215-184(204)205)159(276)244-129(97-254)152(269)222-95-143(261)247-75-28-51-131(247)166(283)223-96-146(264)250-78-31-54-134(250)169(286)242-126(87-105-89-217-109-40-15-14-39-107(105)109)163(280)231-119(58-61-138(189)256)151(268)219-91-141(259)218-92-142(260)225-112(44-21-68-210-179(194)195)153(270)228-114(45-22-69-211-180(196)197)154(271)227-113(42-17-19-66-187)157(274)240-125(85-103-35-10-8-11-36-103)162(279)230-116(47-24-71-213-182(200)201)155(272)229-115(46-23-70-212-181(198)199)156(273)232-120(59-62-139(190)257)160(277)236-121(50-27-74-216-185(206)207)174(291)251-79-32-56-136(251)171(288)235-117(48-25-72-214-183(202)203)158(275)239-124(84-101(3)4)161(278)245-130(98-255)165(282)241-127(88-106-90-208-99-224-106)164(281)226-110(41-16-18-65-186)149(266)220-93-145(263)249-77-30-53-133(249)168(285)237-123(64-82-296-7)176(293)253-81-34-57-137(253)172(289)243-128(177(294)295)86-104-37-12-9-13-38-104/h8-15,35-40,89-90,99-102,108,110-137,147,217,254-255H,16-34,41-88,91-98,186-188H2,1-7H3,(H2,189,256)(H2,190,257)(H2,191,258)(H,208,224)(H,218,259)(H,219,268)(H,220,266)(H,221,267)(H,222,269)(H,223,283)(H,225,260)(H,226,281)(H,227,271)(H,228,270)(H,229,272)(H,230,279)(H,231,280)(H,232,273)(H,233,287)(H,234,284)(H,235,288)(H,236,277)(H,237,285)(H,238,290)(H,239,275)(H,240,274)(H,241,282)(H,242,286)(H,243,289)(H,244,276)(H,245,278)(H,246,265)(H,294,295)(H4,192,193,209)(H4,194,195,210)(H4,196,197,211)(H4,198,199,212)(H4,200,201,213)(H4,202,203,214)(H4,204,205,215)(H4,206,207,216)/t108-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,147-/m0/s1" . "COCCc1ccc(cc1)OCC(CNC(C)C)O" . "COCCc1ccc(cc1)OCC(CNC(C)C)O" . "IUBSYMUCCVWXPE-UHFFFAOYSA-N" . "InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3" . "NCCCCC(C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccccc1)CCSC)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(CCC(=O)N)N)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)CO" . "NCCCC[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)Cc1ccccc1)CCSC)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)N)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)CO" . "XXCCRHIAIBQDPX-PEWBXTNBSA-N" . "InChI=1S/C69H111N23O16S/c1-39(2)32-47(86-58(98)44(17-9-26-78-68(73)74)83-63(103)52-20-12-29-91(52)65(105)45(18-10-27-79-69(75)76)84-56(96)42(71)22-23-54(72)94)59(99)89-50(37-93)61(101)87-48(34-41-35-77-38-81-41)60(100)82-43(16-7-8-25-70)57(97)80-36-55(95)90-28-11-19-51(90)62(102)85-46(24-31-109-3)66(106)92-30-13-21-53(92)64(104)88-49(67(107)108)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,93H,7-13,16-34,36-37,70-71H2,1-3H3,(H2,72,94)(H,77,81)(H,80,97)(H,82,100)(H,83,103)(H,84,96)(H,85,102)(H,86,98)(H,87,101)(H,88,104)(H,89,99)(H,107,108)(H4,73,74,78)(H4,75,76,79)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1" . "NCCCCC(C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccccc1)CCSC)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(CCC(=O)N)N)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)CO " . "CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O" . "XXCCRHIAIBQDPX-PEWBXTNBSA-N" . "InChI=1S/C69H111N23O16S/c1-39(2)32-47(86-58(98)44(17-9-26-78-68(73)74)83-63(103)52-20-12-29-91(52)65(105)45(18-10-27-79-69(75)76)84-56(96)42(71)22-23-54(72)94)59(99)89-50(37-93)61(101)87-48(34-41-35-77-38-81-41)60(100)82-43(16-7-8-25-70)57(97)80-36-55(95)90-28-11-19-51(90)62(102)85-46(24-31-109-3)66(106)92-30-13-21-53(92)64(104)88-49(67(107)108)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,93H,7-13,16-34,36-37,70-71H2,1-3H3,(H2,72,94)(H,77,81)(H,80,97)(H,82,100)(H,83,103)(H,84,96)(H,85,102)(H,86,98)(H,87,101)(H,88,104)(H,89,99)(H,107,108)(H4,73,74,78)(H4,75,76,79)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1" . "CNCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)C)Cc1[nH]cnc1)C(C)C)Cc1ccc(cc1)O)C(C)C)CCCN=C(N)N" . "CNCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)C)Cc1[nH]cnc1)C(C)C)Cc1ccc(cc1)O)C(C)C)CCCN=C(N)N" . "PFGWGEPQIUAZME-UHFFFAOYSA-N" . "InChI=1S/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)" . "OC(=O)C1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1ccc(c(c1)C)N(C)C" . "OC(=O)[C@@H]1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1ccc(c(c1)C)N(C)C" . "YSTVFDAKLDMYCR-NDEPHWFRSA-N" . "InChI=1S/C31H32N4O3/c1-21-16-22(14-15-26(21)33(2)3)18-34-20-32-25-19-35(28(31(37)38)17-27(25)34)30(36)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-16,20,28-29H,17-19H2,1-3H3,(H,37,38)/t28-/m0/s1" . "OC(=O)C1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1ccc(c(c1)C)N" . "OC(=O)C1Cc2c(CN1C(=O)C(c1ccccc1)c1ccccc1)ncn2Cc1ccc(c(c1)C)N" . "KLVDUSUYBDMJKR-UHFFFAOYSA-N" . "InChI=1S/C29H28N4O3/c1-19-14-20(12-13-23(19)30)16-32-18-31-24-17-33(26(29(35)36)15-25(24)32)28(34)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-14,18,26-27H,15-17,30H2,1H3,(H,35,36)" . "CCC(C(C(=O)O)NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)c1cccnc1)Cc1ccc(cc1)O)CCCCNC(=O)C(NC(=O)OCc1ccccc1)CCCN=C(N)N)Cc1[nH]cnc1)C" . "CC[C@@H]([C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cccnc1)Cc1ccc(cc1)O)CCCCNC(=O)[C@@H](NC(=O)OCc1ccccc1)CCCN=C(N)N)Cc1[nH]cnc1)C" . "UXGNARZDONUMMK-LRMQDCNJSA-N" . "InChI=1S/C52H69N13O11/c1-3-32(2)43(50(73)74)64-48(71)42-17-11-25-65(42)49(72)41(27-36-29-56-31-59-36)62-46(69)39(60-47(70)40(26-33-18-20-37(66)21-19-33)61-44(67)35-14-9-22-55-28-35)15-7-8-23-57-45(68)38(16-10-24-58-51(53)54)63-52(75)76-30-34-12-5-4-6-13-34/h4-6,9,12-14,18-22,28-29,31-32,38-43,66H,3,7-8,10-11,15-17,23-27,30H2,1-2H3,(H,56,59)(H,57,68)(H,60,70)(H,61,67)(H,62,69)(H,63,75)(H,64,71)(H,73,74)(H4,53,54,58)/t32-,38-,39-,40-,41-,42-,43-/m0/s1" . "CCCCC(=O)N(C(C(=O)O)C(C)C)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1" . "CCCCC(=O)N([C@H](C(=O)O)C(C)C)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1" . "ACWBQPMHZXGDFX-QFIPXVFZSA-N" . "InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1" . "OC(COc1ccc(cc1)OCCOCC1CC1)CNC(C)C" . "OC(COc1ccc(cc1)OCCOCC1CC1)CNC(C)C" . "JNDJPKHYZWRRIS-UHFFFAOYSA-N" . "InChI=1S/C18H29NO4/c1-14(2)19-11-16(20)13-23-18-7-5-17(6-8-18)22-10-9-21-12-15-3-4-15/h5-8,14-16,19-20H,3-4,9-13H2,1-2H3" . "CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)C=C(C(=O)O)Cc1cccs1" . "CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)/Cc1cccs1" . "OROAFUQRIXKEMV-LDADJPATSA-N" . "InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+" . "CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O" . "CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O" . "HTQMVQVXFRQIKW-UHFFFAOYSA-N" . "InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)" . "CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)O)Cl" . "CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)O)Cl" . "ZEUXAIYYDDCIRX-UHFFFAOYSA-N" . "InChI=1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)" . "NC(=NCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)O)Cc1[nH]cnc1)C(C)C)Cc1ccc(cc1)O)C(C)C)NC(=O)C(CC(=O)O)N)N" . "NC(=NCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1[nH]cnc1)C(C)C)Cc1ccc(cc1)O)C(C)C)NC(=O)[C@H](CC(=O)O)N)N" . "UCRMCWFIVZYPFA-LGXQCQDRSA-N" . "InChI=1S/C40H60N12O11/c1-20(2)31(50-34(57)26(7-5-13-45-40(42)43)47-33(56)25(41)17-30(54)55)36(59)48-27(15-22-9-11-24(53)12-10-22)35(58)51-32(21(3)4)37(60)49-28(16-23-18-44-19-46-23)38(61)52-14-6-8-29(52)39(62)63/h9-12,18-21,25-29,31-32,53H,5-8,13-17,41H2,1-4H3,(H,44,46)(H,47,56)(H,48,59)(H,49,60)(H,50,57)(H,51,58)(H,54,55)(H,62,63)(H4,42,43,45)/t25-,26-,27-,28-,29-,31-,32-/m0/s1" . "CCC(C(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)C(C(C(=O)C)CC(C)C)N)Cc1cnc[nH]1)Cc1ccccc1)Cc1cnc[nH]1)NC(=O)C(c1ccc(cc1)O)NCC(C(C)C)NC(=O)C(NC(=O)C(CC(=O)O)N)CCCN=C(N)N)C" . "CCC(C(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)C(C(C(=O)C)CC(C)C)N)Cc1cnc[nH]1)Cc1ccccc1)Cc1cnc[nH]1)NC(=O)C(c1ccc(cc1)O)NCC(C(C)C)NC(=O)C(NC(=O)C(CC(=O)O)N)CCCN=C(N)N)C" . "AZSXKTYFSLKNEF-UHFFFAOYSA-N" . "InChI=1S/C63H93N17O12/c1-8-36(6)53(79-61(91)54(39-18-20-42(82)21-19-39)71-31-49(35(4)5)78-57(87)45(16-12-22-70-63(66)67)74-56(86)44(64)28-51(83)84)60(90)77-48(27-41-30-69-33-73-41)62(92)80-23-13-17-50(80)59(89)76-47(25-38-14-10-9-11-15-38)58(88)75-46(26-40-29-68-32-72-40)55(85)52(65)43(37(7)81)24-34(2)3/h9-11,14-15,18-21,29-30,32-36,43-50,52-54,71,82H,8,12-13,16-17,22-28,31,64-65H2,1-7H3,(H,68,72)(H,69,73)(H,74,86)(H,75,88)(H,76,89)(H,77,90)(H,78,87)(H,79,91)(H,83,84)(H4,66,67,70)" . "CCC(C(C(=O)NC(C(=O)N1CCCC1C(=O)O)Cc1[nH]cnc1)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(CC(=O)O)N)CCCN=C(N)N)Cc1ccc(cc1)O)C" . "CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1[nH]cnc1)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)CCCN=C(N)N)Cc1ccc(cc1)O)C" . "PVHLMTREZMEJCG-GDTLVBQBSA-N" . "InChI=1S/C41H62N12O11/c1-5-22(4)33(38(61)50-29(17-24-19-45-20-47-24)39(62)53-15-7-9-30(53)40(63)64)52-36(59)28(16-23-10-12-25(54)13-11-23)49-37(60)32(21(2)3)51-35(58)27(8-6-14-46-41(43)44)48-34(57)26(42)18-31(55)56/h10-13,19-22,26-30,32-33,54H,5-9,14-18,42H2,1-4H3,(H,45,47)(H,48,57)(H,49,60)(H,50,61)(H,51,58)(H,52,59)(H,55,56)(H,63,64)(H4,43,44,46)/t22-,26-,27-,28-,29-,30-,32-,33-/m0/s1" . "COc1ccc2c(c1)C(CCC2)C(=O)N(c1ccc(cc1)C(C)C)Cc1ccc(cc1)N(C)C" . "COc1ccc2c(c1)C(CCC2)C(=O)N(c1ccc(cc1)C(C)C)Cc1ccc(cc1)N(C)C" . "DVYASSBBADJRAS-UHFFFAOYSA-N" . "InChI=1S/C30H36N2O2/c1-21(2)23-11-16-26(17-12-23)32(20-22-9-14-25(15-10-22)31(3)4)30(33)28-8-6-7-24-13-18-27(34-5)19-29(24)28/h9-19,21,28H,6-8,20H2,1-5H3" . "CN=C(Nc1ccc(c(c1)c1ccccc1)OCCc1ccccc1)N" . "CN=C(Nc1ccc(c(c1)c1ccccc1)OCCc1ccccc1)N" . "QXDMVRPQHNFBSZ-UHFFFAOYSA-N" . "InChI=1S/C22H23N3O/c1-24-22(23)25-19-12-13-21(20(16-19)18-10-6-3-7-11-18)26-15-14-17-8-4-2-5-9-17/h2-13,16H,14-15H2,1H3,(H3,23,24,25)" . "COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O" . "COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O" . "OGHNVEJMJSYVRP-UHFFFAOYSA-N" . "InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3" . "O=C(Cc1c(Cl)cccc1Cl)N=C(N)N" . "O=C(Cc1c(Cl)cccc1Cl)N=C(N)N" . "INJOMKTZOLKMBF-UHFFFAOYSA-N" . "InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)" . "CCc1ccccc1OCC(CNC1CCCc2c1cccc2)O" . "CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O" . "VFDHMSXXELYMRW-ICSRJNTNSA-N" . "InChI=1S/C21H27NO2/c1-2-16-8-4-6-13-21(16)24-15-18(23)14-22-20-12-7-10-17-9-3-5-11-19(17)20/h3-6,8-9,11,13,18,20,22-23H,2,7,10,12,14-15H2,1H3/t18-,20-/m0/s1" . "OC(COc1ccccc1)CNC(C)C" . "OC(COc1ccccc1)CNC(C)C" . "ONXLHKFGTDDVLQ-UHFFFAOYSA-N" . "InChI=1S/C12H19NO2/c1-10(2)13-8-11(14)9-15-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3" . "NC(=NCCCC1NC(=O)C(NC(=O)C(CC2CCCCC2)NC(=O)C2N(C(=O)C(CCCNC1=O)NC(=O)C(Cc1ccccc1)NC(=O)C)CCC2)Cc1c[nH]c2c1cccc2)N" . "NC(=NCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@H]2N(C(=O)[C@H](CCCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C)CCC2)Cc1c[nH]c2c1cccc2)N" . "YOKBGCTZYPOSQM-HPSWDUTRSA-N" . "InChI=1S/C47H65N11O7/c1-29(59)53-37(25-30-13-4-2-5-14-30)42(61)55-36-20-11-22-50-41(60)35(19-10-23-51-47(48)49)54-44(63)39(27-32-28-52-34-18-9-8-17-33(32)34)56-43(62)38(26-31-15-6-3-7-16-31)57-45(64)40-21-12-24-58(40)46(36)65/h2,4-5,8-9,13-14,17-18,28,31,35-40,52H,3,6-7,10-12,15-16,19-27H2,1H3,(H,50,60)(H,53,59)(H,54,63)(H,55,61)(H,56,62)(H,57,64)(H4,48,49,51)/t35-,36-,37-,38+,39-,40-/m0/s1" . "CC(N1CCc2c(C1c1cccc3c1cccc3)cccc2)C(=O)N(C1Cc2c(C1)cccc2)Cc1ccccc1F" . "C[C@H](N1CCc2c([C@@H]1c1cccc3c1cccc3)cccc2)C(=O)N(C1Cc2c(C1)cccc2)Cc1ccccc1F" . "OEINKGYXWSIVKM-KJICVINHSA-N" . "InChI=1S/C38H35FN2O/c1-26(38(42)41(25-31-15-6-9-20-36(31)39)32-23-29-13-2-3-14-30(29)24-32)40-22-21-28-12-5-8-18-34(28)37(40)35-19-10-16-27-11-4-7-17-33(27)35/h2-20,26,32,37H,21-25H2,1H3/t26-,37+/m0/s1" . "OC(COc1cccc2c1SCCC2)CNC(C)(C)C" . "OC(COc1cccc2c1SCCC2)CNC(C)(C)C" . "HTWFXPCUFWKXOP-UHFFFAOYSA-N" . "InChI=1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3" . "OC(COc1cccc2c1CCCC2=O)CNC(C)(C)C" . "O[C@H](COc1cccc2c1CCCC2=O)CNC(C)(C)C" . "IXHBTMCLRNMKHZ-LBPRGKRZSA-N" . "InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/t12-/m0/s1" . "OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C" . "OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C" . "BQXQGZPYHWWCEB-UHFFFAOYSA-N" . "InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3" . "CCOC(=O)COc1ccc2c(c1)CC(CC2)NCC(c1cccc(c1)Cl)O" . "CCOC(=O)COc1ccc2c(c1)C[C@H](CC2)NC[C@@H](c1cccc(c1)Cl)O" . "RDJQCOBTKKAQAH-FPOVZHCZSA-N" . "InChI=1S/C22H26ClNO4/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3/t19-,21-/m0/s1" . "CC(Cc1ccc(cc1)OCC(=O)O)NCC(c1cccc(c1)Cl)O" . "C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O" . "ZGGNJJJYUVRADP-ACJLOTCBSA-N" . "InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1" . "OC(COc1nsnc1N1CCOCC1)CNC(C)(C)C" . "O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C" . "BLJRIMJGRPQVNF-JTQLQIEISA-N" . "InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1" . "OC(COc1cccc2c1cccc2)CNC(C)C" . "OC(COc1cccc2c1cccc2)CNC(C)C" . "AQHHHDLHHXJYJD-UHFFFAOYSA-N" . "InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3" . "C=CCc1ccccc1OCC(CNC(C)C)O" . "C=CCc1ccccc1OCC(CNC(C)C)O" . "PAZJSJFMUHDSTF-UHFFFAOYSA-N" . "InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3" . "OC(COc1cccc2c1c(I)c([nH]2)C#N)CNC(C)C" . "OC(COc1cccc2c1c([125I])c([nH]2)C#N)CNC(C)C" . "WGSPBWSPJOBKNT-RFLHHMENSA-N" . "InChI=1S/C15H18IN3O2/c1-9(2)18-7-10(20)8-21-13-5-3-4-11-14(13)15(16)12(6-17)19-11/h3-5,9-10,18-20H,7-8H2,1-2H3/i16-2" . "OC(c1cc(O)cc(c1)O)CNC(C)(C)C" . "OC(c1cc(O)cc(c1)O)CNC(C)(C)C" . "XWTYSIMOBUGWOL-UHFFFAOYSA-N" . "InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3" . "OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O" . "OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O" . "GIIZNNXWQWCKIB-UHFFFAOYSA-N" . "InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2" . "OCc1cc(ccc1O)C(CNC(C)(C)C)O" . "OCc1cc(ccc1O)C(CNC(C)(C)C)O" . "NDAUXUAQIAJITI-UHFFFAOYSA-N" . "InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3" . "CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O" . "CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O" . "LSLYOANBFKQKPT-UHFFFAOYSA-N" . "InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3" . "CNC(C(c1ccccc1)O)C" . "CN[C@H]([C@@H](c1ccccc1)O)C" . "KWGRBVOPPLSCSI-WPRPVWTQSA-N" . "InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1" . "OC(COc1ccc(cc1)NC(=O)C)CNC(C)C" . "OC(COc1ccc(cc1)NC(=O)C)CNC(C)C" . "DURULFYMVIFBIR-UHFFFAOYSA-N" . "InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)" . "OC(COc1cccc2c1CC(O)C(C2)O)CNC(C)(C)C" . "OC(COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C" . "VWPOSFSPZNDTMJ-UCWKZMIHSA-N" . "InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1" . "N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O" . "N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O" . "VAWYRUMIUGPAEX-UHFFFAOYSA-N" . "InChI=1S/C25H32N4O6/c26-14-19-13-23(34-12-11-33-16-18-1-2-18)7-8-24(19)35-17-22(31)15-27-9-10-28-25(32)29-20-3-5-21(30)6-4-20/h3-8,13,18,22,27,30-31H,1-2,9-12,15-17H2,(H2,28,29,32)" . "CC(NC(C(COc1ccc(c2c1CCC2)C)O)C)C" . "CC(N[C@H]([C@H](COc1ccc(c2c1CCC2)C)O)C)C" . "VFIDUCMKNJIJTO-BBRMVZONSA-N" . "InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3/t13-,16-/m0/s1" . "COCCOc1ccc(cc1)OCC(CNC(C)C)O" . "COCCOc1ccc(cc1)OCC(CNC(C)C)O" . "FGAPARDHTDKREN-UHFFFAOYSA-N" . "InChI=1S/C15H25NO4/c1-12(2)16-10-13(17)11-20-15-6-4-14(5-7-15)19-9-8-18-3/h4-7,12-13,16-17H,8-11H2,1-3H3" . "OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O" . "OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O" . "GKJZEKSHCJELPL-UHFFFAOYSA-N" . "InChI=1S/C23H25F3N4O5/c1-30-12-20(23(24,25)26)29-22(30)14-2-4-16(5-3-14)35-13-15(31)11-28-8-9-34-17-6-7-19(32)18(10-17)21(27)33/h2-7,10,12,15,28,31-32H,8-9,11,13H2,1H3,(H2,27,33)" . "OC(COc1cccc2c1c(I)c([nH]2)C#N)CNC(C)C" . "OC(COc1cccc2c1c([125I])c([nH]2)C#N)CNC(C)C" . "WGSPBWSPJOBKNT-RFLHHMENSA-N" . "InChI=1S/C15H18IN3O2/c1-9(2)18-7-10(20)8-21-13-5-3-4-11-14(13)15(16)12(6-17)19-11/h3-5,9-10,18-20H,7-8H2,1-2H3/i16-2" . "OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1" . "OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1" . "DXPOSRCHIDYWHW-UHFFFAOYSA-N" . "InChI=1S/C16H25N3O5/c20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19/h1-4,14,17,20-21H,5-12H2,(H,18,22)" . "OC(COc1ccc(cc1)O)CNC(C)C" . "O[C@H](COc1ccc(cc1)O)CNC(C)C" . "ADUKCCWBEDSMEB-NSHDSACASA-N" . "InChI=1S/C12H19NO3/c1-9(2)13-7-11(15)8-16-12-5-3-10(14)4-6-12/h3-6,9,11,13-15H,7-8H2,1-2H3/t11-/m0/s1" . "CC(NCC(c1ccc(c(c1)O)O)O)C" . "CC(NCC(c1ccc(c(c1)O)O)O)C" . "JWZZKOKVBUJMES-UHFFFAOYSA-N" . "InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3" . "CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O" . "CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O" . "JRWZLRBJNMZMFE-UHFFFAOYSA-N" . "InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3" . "COc1cc(CCNCC(c2ccc(cc2)O)O)ccc1OC" . "COc1cc(CCNC[C@@H](c2ccc(cc2)O)O)ccc1OC" . "VHSBBVZJABQOSG-INIZCTEOSA-N" . "InChI=1S/C18H23NO4/c1-22-17-8-3-13(11-18(17)23-2)9-10-19-12-16(21)14-4-6-15(20)7-5-14/h3-8,11,16,19-21H,9-10,12H2,1-2H3/t16-/m0/s1" . "COc1cc(CCNCC(c2ccc(c(c2)O)O)O)ccc1OC" . "COc1cc(CCNCC(c2ccc(c(c2)O)O)O)ccc1OC" . "DIPGFXJERHNAQQ-UHFFFAOYSA-N" . "InChI=1S/C18H23NO5/c1-23-17-6-3-12(9-18(17)24-2)7-8-19-11-16(22)13-4-5-14(20)15(21)10-13/h3-6,9-10,16,19-22H,7-8,11H2,1-2H3" . "OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C" . "OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C" . "UMQUQWCJKFOUGV-UHFFFAOYSA-N" . "InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)" . "COC1(COc2c(O1)cccc2)C1=NCCN1" . "COC1(COc2c(O1)cccc2)C1=NCCN1" . "HQGWKNGAKBPTBX-UHFFFAOYSA-N" . "InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)" . "CN1CCC2(N(C1=O)C)CCN1C(C2)c2oc3c(c2CC1)cccc3" . "O=C1N(C)[C@]2(CCN3[C@H](C2)c2oc4c(c2CC3)cccc4)CCN1C([3H])([3H])[3H]" . "JRDUBBHIPPPSLP-NFEZXYISSA-N" . "InChI=1S/C20H25N3O2/c1-21-11-8-20(22(2)19(21)24)9-12-23-10-7-15-14-5-3-4-6-17(14)25-18(15)16(23)13-20/h3-6,16H,7-13H2,1-2H3/t16-,20+/m1/s1/i1T3" . "COC1(COc2c(O1)cccc2)C1=NCCN1" . "COC1(COc2c(O1)cccc2)C1=NCCN1" . "HQGWKNGAKBPTBX-UHFFFAOYSA-N" . "InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)" . "CC1N(CC2=NCCN2)Cc2c1cccc2" . "CC1N(CC2=NCCN2)Cc2c1cccc2" . "SGOFAUSEYBZKDQ-UHFFFAOYSA-N" . "InChI=1S/C13H17N3/c1-10-12-5-3-2-4-11(12)8-16(10)9-13-14-6-7-15-13/h2-5,10H,6-9H2,1H3,(H,14,15)" . "COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C" . "COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C" . "OSEADGVOKYGIER-UHFFFAOYSA-N" . "InChI=1S/C25H30N2O3/c1-25(2)20-9-5-4-8-18(20)23(28)19(24(25)29)12-13-26-14-16-27(17-15-26)21-10-6-7-11-22(21)30-3/h4-11,19H,12-17H2,1-3H3" . "Brc1c(ccc2c1nccn2)NC1=NCCN1" . "Brc1c(ccc2c1nccn2)NC1=NCCN1" . "XYLJNLCSTIOKRM-UHFFFAOYSA-N" . "InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)" . "CN1CCc2c3c(C1)c(Br)oc3ccc2Cl" . "CN1CCc2c3c(C1)c(Br)oc3ccc2Cl" . "NYGANYRUZQPPGP-UHFFFAOYSA-N" . "InChI=1S/C12H11BrClNO/c1-15-5-4-7-9(14)2-3-10-11(7)8(6-15)12(13)16-10/h2-3H,4-6H2,1H3" . "Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C" . "Cc1cc(cc(c1CC1=NCCN1)C)C(C)(C)C" . "HUCJFAOMUPXHDK-UHFFFAOYSA-N" . "InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)" . "Clc1ccc(cc1NC1=NCCN1)C(F)(F)F" . "Clc1ccc(cc1NC1=NCCN1)C(F)(F)F" . "WIAICRSVMJHHJL-UHFFFAOYSA-N" . "InChI=1S/C10H9ClF3N3/c11-7-2-1-6(10(12,13)14)5-8(7)17-9-15-3-4-16-9/h1-2,5H,3-4H2,(H2,15,16,17)" . "Cn1nc2c(c1)c(ccc2)NC1=NCCN1" . "Cn1nc2c(c1)c(ccc2)NC1=NCCN1" . "PNHJTLDBYZVCGW-UHFFFAOYSA-N" . "InChI=1S/C11H13N5/c1-16-7-8-9(3-2-4-10(8)15-16)14-11-12-5-6-13-11/h2-4,7H,5-6H2,1H3,(H2,12,13,14)" . "COc1ccc(c2c1CC(N)CC2)SC" . "COc1ccc(c2c1CC(N)CC2)SC" . "YCSXMTWSPWKFIE-UHFFFAOYSA-N" . "InChI=1S/C12H17NOS/c1-14-11-5-6-12(15-2)9-4-3-8(13)7-10(9)11/h5-6,8H,3-4,7,13H2,1-2H3" . "NCC(c1cc(O)c(cc1F)O)O" . "NCC(c1cc(O)c(cc1F)O)O" . "SBUQBFTXTZSRMH-UHFFFAOYSA-N" . "InChI=1S/C8H10FNO3/c9-5-2-7(12)6(11)1-4(5)8(13)3-10/h1-2,8,11-13H,3,10H2" . "CNCC(c1ccc(c(c1)O)O)O" . "CNCC(c1ccc(c(c1)O)O)O" . "UCTWMZQNUQWSLP-UHFFFAOYSA-N" . "InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3" . "CC(C(c1ccc(c(c1)O)O)O)N" . "C[C@@H]([C@@H](c1ccc(c(c1)O)O)O)N" . "GEFQWZLICWMTKF-CDUCUWFYSA-N" . "InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3/t5-,9-/m0/s1" . "COc1cc2nc(nc(c2cc1OC)N)N1CCN(C(C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1" . "COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1" . "CGWOIDCAGBKOQL-FQEVSTJZSA-N" . "InChI=1S/C27H34N6O5/c1-27(2,3)31-24(34)20-15-32(11-12-33(20)26(35)38-16-17-9-7-6-8-10-17)25-29-19-14-22(37-5)21(36-4)13-18(19)23(28)30-25/h6-10,13-14,20H,11-12,15-16H2,1-5H3,(H,31,34)(H2,28,29,30)/t20-/m0/s1" . "NCC(c1ccc(c(c1)O)O)O" . "NC[C@@H](c1ccc(c(c1)O)O)O" . "SFLSHLFXELFNJZ-QMMMGPOBSA-N" . "InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1" . "COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1" . "COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1" . "IENZQIKPVFGBNW-UHFFFAOYSA-N" . "InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)" . "CNCC(c1cccc(c1)O)O" . "CNC[C@@H](c1cccc(c1)O)O" . "SONNWYBIRXJNDC-VIFPVBQESA-N" . "InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1" . "Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1" . "Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1" . "MRBDMNSDAVCSSF-UHFFFAOYSA-N" . "InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)" . "O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2" . "O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2" . "JXZZEXZZKAWDSP-UHFFFAOYSA-N" . "InChI=1S/C22H25N3O/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21/h1-9,16,19,23H,10-15H2,(H,24,26)" . "O=C1C(CNCCc2ccc(c(c2)I)O)CCc2c1cccc2" . "O=C1C(CNCCc2ccc(c(c2)[125I])O)CCc2c1cccc2" . "DUOOAUBZMQZYLO-STTHPYEQSA-N" . "InChI=1S/C19H20INO2/c20-17-11-13(5-8-18(17)22)9-10-21-12-15-7-6-14-3-1-2-4-16(14)19(15)23/h1-5,8,11,15,21-22H,6-7,9-10,12H2/i20-2" . "COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC" . "COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC" . "GYSZUJHYXCZAKI-UHFFFAOYSA-N" . "InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3" . "COC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C" . "COC(=O)C1=C(C)NC(=C([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C" . "FIIXCJGBCCCOQQ-MGBGTMOVSA-N" . "InChI=1S/C36H40N4O5/c1-25-31(33(32(26(2)38-25)35(42)45-3)27-15-17-30(18-16-27)40(43)44)34(41)37-21-10-22-39-23-19-36(20-24-39,28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-9,11-18,33,38H,10,19-24H2,1-3H3,(H,37,41)/t33-/m1/s1" . "Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C" . "Fc1ccc(c(c1)OCC(F)(F)F)N1CCN(CC1)CCCn1c(=O)[nH]cc(c1=O)C" . "WEZFJPKJUIGDPS-UHFFFAOYSA-N" . "InChI=1S/C20H24F4N4O3/c1-14-12-25-19(30)28(18(14)29)6-2-5-26-7-9-27(10-8-26)16-4-3-15(21)11-17(16)31-13-20(22,23)24/h3-4,11-12H,2,5-10,13H2,1H3,(H,25,30)" . "COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C" . "COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C" . "DUCNHKDCVVSJLG-UHFFFAOYSA-N" . "InChI=1S/C31H33N3O4/c1-22-28(35)24-12-8-13-25(30(24)38-29(22)23-10-4-3-5-11-23)31(36)32-16-9-17-33-18-20-34(21-19-33)26-14-6-7-15-27(26)37-2/h3-8,10-15H,9,16-21H2,1-2H3,(H,32,36)" . "Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C" . "Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C" . "XLZHXAXXJVKTFM-UHFFFAOYSA-N" . "InChI=1S/C24H29ClN2O2/c1-24(2,14-18-15-26-21-10-9-19(25)13-20(18)21)27-11-12-28-22-5-3-4-6-23(22)29-16-17-7-8-17/h3-6,9-10,13,15,17,26-27H,7-8,11-12,14,16H2,1-2H3" . "OCCCN1CCc2c1c(cc(c2)CC(NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N" . "OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N" . "PNCPYILNMDWPEY-QGZVFWFLSA-N" . "InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1" . "COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C" . "COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C" . "PANBMHHKBRMYAL-UHFFFAOYSA-N" . "InChI=1S/C26H28N4O3S/c1-18-6-5-7-19(16-18)20-17-34-24-23(20)25(31)30(26(32)27-24)15-12-28-10-13-29(14-11-28)21-8-3-4-9-22(21)33-2/h3-9,16-17H,10-15H2,1-2H3,(H,27,32)" . "COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1" . "COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1" . "HLVQBOYEHQRWHG-UHFFFAOYSA-N" . "InChI=1S/C25H26N4O3S/c1-32-21-10-6-5-9-20(21)28-14-11-27(12-15-28)13-16-29-24(30)22-19(18-7-3-2-4-8-18)17-33-23(22)26-25(29)31/h2-10,17H,11-16H2,1H3,(H,26,31)" . "COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C" . "COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C" . "HIHZDNKKIUQQSC-UHFFFAOYSA-N" . "InChI=1S/C21H31N5O3/c1-16-19(23(2)21(28)24(3)20(16)27)22-10-7-11-25-12-14-26(15-13-25)17-8-5-6-9-18(17)29-4/h5-6,8-9,22H,7,10-15H2,1-4H3" . "CCOc1ccccc1OCCNC(Cc1ccc(c(c1)S(=O)(=O)N)OC)C" . "CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C" . "DRHKJLXJIQTDTD-OAHLLOKOSA-N" . "InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1" . "COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C" . "COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C" . "SVJMLYUFVDMUHP-XIFFEERXSA-N" . "InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3/t33-/m0/s1" . "COc1cc2nc(nc(c2cc1OC)N)N1CCN(C2C1CCCC2)C(=O)c1ccco1" . "COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H]2[C@H]1CCCC2)C(=O)c1ccco1" . "XBRXTUGRUXGBPX-DLBZAZTESA-N" . "InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m0/s1" . "Oc1ccc(c(c1)I)CCNCC1CCc2c(C1=O)cccc2" . "Oc1ccc(c(c1)[125I])CCNCC1CCc2c(C1=O)cccc2" . "MIQRUWUVLIWVAW-STTHPYEQSA-N" . "InChI=1S/C19H20INO2/c20-18-11-16(22)8-7-14(18)9-10-21-12-15-6-5-13-3-1-2-4-17(13)19(15)23/h1-4,7-8,11,15,21-22H,5-6,9-10,12H2/i20-2" . "NCC(c1cc(ccc1F)NS(=O)(=O)C)O" . "NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O" . "XYLJNMCMDOOJRW-VIFPVBQESA-N" . "InChI=1S/C9H13FN2O3S/c1-16(14,15)12-6-2-3-8(10)7(4-6)9(13)5-11/h2-4,9,12-13H,5,11H2,1H3/t9-/m0/s1" . "Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1" . "Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1" . "OQFCXJDXHCDLHX-UHFFFAOYSA-N" . "InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)" . "CNCC(c1ccc(c(c1)O)O)O" . "CNC[C@@H](c1ccc(c(c1)O)O)O" . "UCTWMZQNUQWSLP-VIFPVBQESA-N" . "InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1" . "CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC" . "CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC" . "CJRNHKSLHHWUAB-UHFFFAOYSA-N" . "InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)" . "O=C(c1ccccc1)Nc1nc(cc2c1cccc2)c1ccccn1" . "O=C(c1ccccc1)Nc1nc(cc2c1cccc2)c1ccccn1" . "FWRPUFITEHOETQ-UHFFFAOYSA-N" . "InChI=1S/C21H15N3O/c25-21(15-8-2-1-3-9-15)24-20-17-11-5-4-10-16(17)14-19(23-20)18-12-6-7-13-22-18/h1-14H,(H,23,24,25)" . "COc1ccc(cc1)C(=O)Nc1nc(nc2c1cccc2)c1ccccn1" . "COc1ccc(cc1)C(=O)Nc1nc(nc2c1cccc2)c1ccccn1" . "TTYULORVZLXLQA-UHFFFAOYSA-N" . "InChI=1S/C21H16N4O2/c1-27-15-11-9-14(10-12-15)21(26)25-19-16-6-2-3-7-17(16)23-20(24-19)18-8-4-5-13-22-18/h2-13H,1H3,(H,23,24,25,26)" . "CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(nc1c1ccccc1)CC" . "CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(nc1c1ccccc1)CC" . "UUSHFEVEROROSP-UHFFFAOYSA-N" . "InChI=1S/C23H29NO3S/c1-5-12-17-19(23(26)28-8-4)18(7-3)24-21(16-13-10-9-11-14-16)20(17)22(25)27-15-6-2/h9-11,13-14H,5-8,12,15H2,1-4H3" . "CCCOC(=O)c1c(nc(c(c1CC)C(=O)SCCC)CC)c1cccc(c1)Cl" . "CCCOC(=O)c1c(nc(c(c1CC)C(=O)SCCC)CC)c1cccc(c1)Cl" . "RPTCJTNYKDJGHU-UHFFFAOYSA-N" . "InChI=1S/C23H28ClNO3S/c1-5-12-28-22(26)20-17(7-3)19(23(27)29-13-6-2)18(8-4)25-21(20)15-10-9-11-16(24)14-15/h9-11,14H,5-8,12-13H2,1-4H3" . "CCOC(=O)c1c(CC)c(C(=O)SCC)c(nc1c1ccccc1)CCC" . "CCOC(=O)c1c(CC)c(C(=O)SCC)c(nc1c1ccccc1)CCC" . "GSMBGLUYORHXJR-UHFFFAOYSA-N" . "InChI=1S/C22H27NO3S/c1-5-12-17-18(22(25)27-8-4)16(6-2)19(21(24)26-7-3)20(23-17)15-13-10-9-11-14-15/h9-11,13-14H,5-8,12H2,1-4H3" . "CCOC(=O)c1c(nc(c(c1CC)C(=O)SCC)CC)c1ccccc1" . "CCOC(=O)c1c(nc(c(c1CC)C(=O)SCC)CC)c1ccccc1" . "WYZGZKCWULQWSH-UHFFFAOYSA-N" . "InChI=1S/C21H25NO3S/c1-5-15-17(21(24)26-8-4)16(6-2)22-19(14-12-10-9-11-13-14)18(15)20(23)25-7-3/h9-13H,5-8H2,1-4H3" . "CCOC(=O)C1=C(C)NC(=C(C1C#Cc1ccccc1)C(=O)OCc1ccccc1)c1ccccc1" . "CCOC(=O)C1=C(C)NC(=C(C1C#Cc1ccccc1)C(=O)OCc1ccccc1)c1ccccc1" . "SNVFDPHQAOXWJZ-UHFFFAOYSA-N" . "InChI=1S/C31H27NO4/c1-3-35-30(33)27-22(2)32-29(25-17-11-6-12-18-25)28(26(27)20-19-23-13-7-4-8-14-23)31(34)36-21-24-15-9-5-10-16-24/h4-18,26,32H,3,21H2,1-2H3" . "CCC(=O)Nc1nc2ccc(cc2c2n1nc(n2)c1ccco1)Cl" . "CCC(=O)Nc1nc2ccc(cc2c2n1nc(n2)c1ccco1)Cl" . "SPZIDRYLSXDAEF-UHFFFAOYSA-N" . "InChI=1S/C16H12ClN5O2/c1-2-13(23)19-16-18-11-6-5-9(17)8-10(11)15-20-14(21-22(15)16)12-4-3-7-24-12/h3-8H,2H2,1H3,(H,18,19,23)" . "Clc1ccc2c(c1)c1nc(nn1c(n2)NC(=O)c1ccccc1)c1ccco1" . "Clc1ccc2c(c1)c1nc(nn1c(n2)NC(=O)c1ccccc1)c1ccco1" . "XIEBLXLGWFCYEP-UHFFFAOYSA-N" . "InChI=1S/C20H12ClN5O2/c21-13-8-9-15-14(11-13)18-23-17(16-7-4-10-28-16)25-26(18)20(22-15)24-19(27)12-5-2-1-3-6-12/h1-11H,(H,22,24,27)" . "CCOC(=O)C1=C(C)NC(=C(C1C=Cc1ccccc1)C(=O)OCC)c1ccccc1" . "CCOC(=O)C1=C(C)NC(=C(C1/C=C/c1ccccc1)C(=O)OCC)c1ccccc1" . "XCXCNPNUEPMYRS-WUKNDPDISA-N" . "InChI=1S/C26H27NO4/c1-4-30-25(28)22-18(3)27-24(20-14-10-7-11-15-20)23(26(29)31-5-2)21(22)17-16-19-12-8-6-9-13-19/h6-17,21,27H,4-5H2,1-3H3/b17-16+" . "CC(Oc1cc(C)ccc1c1oc2ccc(cc2c(=O)c1Cl)Cl)C" . "CC(Oc1cc(C)ccc1c1oc2ccc(cc2c(=O)c1Cl)Cl)C" . "PWGZOUCWGRTPSM-UHFFFAOYSA-N" . "InChI=1S/C19H16Cl2O3/c1-10(2)23-16-8-11(3)4-6-13(16)19-17(21)18(22)14-9-12(20)5-7-15(14)24-19/h4-10H,1-3H3" . "CCCn1cc2c(n1)N=C(C1C2=NC(=N1)C1CCCO1)NC(=O)Nc1cccc(c1)Cl" . "CCCn1cc2c(n1)N=C(C1C2=NC(=N1)C1CCCO1)NC(=O)Nc1cccc(c1)Cl" . "AQJYVSDITBKWSI-UHFFFAOYSA-N" . "InChI=1S/C21H22ClN7O2/c1-2-8-29-11-14-16-17(25-19(24-16)15-7-4-9-31-15)20(26-18(14)28-29)27-21(30)23-13-6-3-5-12(22)10-13/h3,5-6,10-11,15,17H,2,4,7-9H2,1H3,(H2,23,26,27,28,30)" . "O=C(Nc1nc2ccc(cc2c2n1nc(n2)c1ccco1)Cl)Cc1ccccc1" . "O=C(Nc1nc2ccc(cc2c2n1nc(n2)c1ccco1)Cl)Cc1ccccc1" . "TWWFAXQOKNBUCR-UHFFFAOYSA-N" . "InChI=1S/C21H14ClN5O2/c22-14-8-9-16-15(12-14)20-25-19(17-7-4-10-29-17)26-27(20)21(23-16)24-18(28)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,23,24,28)" . "COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C" . "COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1)C" . "SVJMLYUFVDMUHP-MGBGTMOVSA-N" . "InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3/t33-/m1/s1" . "OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCCc1ccc(cc1)N" . "OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCCc1ccc(cc1)N" . "XTPOZVLRZZIEBW-UHFFFAOYSA-N" . "InChI=1S/C18H22N6O4/c19-11-3-1-10(2-4-11)5-6-20-16-13-17(22-8-21-16)24(9-23-13)18-15(27)14(26)12(7-25)28-18/h1-4,8-9,12,14-15,18,25-27H,5-7,19H2,(H,20,21,22)" . "CCNC(=O)C1OC(C(C1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)OC" . "CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)OC" . "BNXGNSTUSRFBCI-KSVNGYGVSA-N" . "InChI=1S/C20H24N6O5/c1-3-21-19(29)16-14(27)15(28)20(31-16)26-10-25-13-17(23-9-24-18(13)26)22-8-11-4-6-12(30-2)7-5-11/h4-7,9-10,14-16,20,27-28H,3,8H2,1-2H3,(H,21,29)(H,22,23,24)/t14-,15+,16-,20+/m0/s1" . "CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC" . "CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC" . "CJRNHKSLHHWUAB-UHFFFAOYSA-N" . "InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)" . "OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCc1ccc(c(c1)I)N" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1ccc(c(c1)I)N" . "REGZQZHKIFOMRK-LSCFUAHRSA-N" . "InChI=1S/C17H19IN6O4/c18-9-3-8(1-2-10(9)19)4-20-15-12-16(22-6-21-15)24(7-23-12)17-14(27)13(26)11(5-25)28-17/h1-3,6-7,11,13-14,17,25-27H,4-5,19H2,(H,20,21,22)/t11-,13-,14-,17-/m1/s1" . "CNC(=O)C1OC(C(C1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I" . "CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NCc1cccc(c1)I" . "IPSYPUKKXMNCNQ-PFHKOEEOSA-N" . "InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1" . "O=c1[nH]c2nc3ccccc3nc2c(=O)[nH]1" . "O=c1[nH]c2nc3ccccc3nc2c(=O)[nH]1" . "HAUGRYOERYOXHX-UHFFFAOYSA-N" . "InChI=1S/C10H6N4O2/c15-9-7-8(13-10(16)14-9)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,12,13,14,15,16)" . "Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1" . "c1([3H])cc(CCNc2nc(N)n3c(n2)nc(n3)c2ccco2)ccc1O" . "PWTBZOIUWZOPFT-XHHURNKPSA-N" . "InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)/i5T" . "COc1ccc(c(c1)OC)c1oc2cc(OC)cc(c2c(=O)c1OC)OC" . "COc1ccc(c(c1)OC)c1oc2cc(OC)cc(c2c(=O)c1OC)OC" . "KPJGABLCRGWDRB-UHFFFAOYSA-N" . "InChI=1S/C20H20O7/c1-22-11-6-7-13(14(8-11)24-3)19-20(26-5)18(21)17-15(25-4)9-12(23-2)10-16(17)27-19/h6-10H,1-5H3" . "CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1" . "CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1" . "MIUCZFWBCFZKEU-UHFFFAOYSA-N" . "InChI=1S/C30H35N7O2/c1-22(38)31-14-15-32-28-25-21-26(33-29(25)35-27(34-28)24-12-6-3-7-13-24)30(39)37-19-17-36(18-20-37)16-8-11-23-9-4-2-5-10-23/h2-7,9-10,12-13,21H,8,11,14-20H2,1H3,(H,31,38)(H2,32,33,34,35)" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N" . "AJBBEYXFRYFVNM-UHFFFAOYSA-N" . "InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)" . "CCCn1c(=O)c2[nH]c(nc2n(c1=O)Cc1ccc(c(c1)I)N)c1ccc(cc1)OCC(=O)O" . "CCCn1c(=O)c2[nH]c(nc2n(c1=O)Cc1ccc(c(c1)[125I])N)c1ccc(cc1)OCC(=O)O" . "DKJMGIXWGPEEFF-XXFZXMJFSA-N" . "InChI=1S/C23H22IN5O5/c1-2-9-28-22(32)19-21(29(23(28)33)11-13-3-8-17(25)16(24)10-13)27-20(26-19)14-4-6-15(7-5-14)34-12-18(30)31/h3-8,10H,2,9,11-12,25H2,1H3,(H,26,27)(H,30,31)/i24-2" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)O" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)O" . "QTMMGCYGCFXBFI-UHFFFAOYSA-N" . "InChI=1S/C19H22N4O5/c1-3-9-22-17-15(18(26)23(10-4-2)19(22)27)20-16(21-17)12-5-7-13(8-6-12)28-11-14(24)25/h5-8H,3-4,9-11H2,1-2H3,(H,20,21)(H,24,25)" . "CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1" . "CC(=O)NCCNc1nc(nc2c1cc([nH]2)C(=O)N1CCN(CC1)CCCc1ccccc1)c1ccccc1" . "MIUCZFWBCFZKEU-UHFFFAOYSA-N" . "InChI=1S/C30H35N7O2/c1-22(38)31-14-15-32-28-25-21-26(33-29(25)35-27(34-28)24-12-6-3-7-13-24)30(39)37-19-17-36(18-20-37)16-8-11-23-9-4-2-5-10-23/h2-7,9-10,12-13,21H,8,11,14-20H2,1H3,(H,31,38)(H2,32,33,34,35)" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)Nc1ccc(cc1)C#N" . "AJBBEYXFRYFVNM-UHFFFAOYSA-N" . "InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)" . "CC(=O)OC1C[NH+]2CCC1CC2" . "CC(=O)O[C@@H]1C[NH+]2CCC1CC2" . "WRJPSSPFHGNBMG-SECBINFHSA-O" . "InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3/p+1/t9-/m1/s1" . "CC(Cn1c(=O)[nH]c(=O)c2c1nc([nH]2)N1CCCC1)C" . "CC(Cn1c(=O)[nH]c(=O)c2c1nc([nH]2)N1CCCC1)C" . "KHQOTPZSYMSVHB-UHFFFAOYSA-N" . "InChI=1S/C13H19N5O2/c1-8(2)7-18-10-9(11(19)16-13(18)20)14-12(15-10)17-5-3-4-6-17/h8H,3-7H2,1-2H3,(H,14,15)(H,16,19,20)" . "CCCn1c(=O)c2[nH]c(nc2n(c1=O)Cc1ccc(c(c1)I)N)c1ccc(cc1)OCC(=O)O" . "CCCn1c(=O)c2[nH]c(nc2n(c1=O)Cc1ccc(c(c1)I)N)c1ccc(cc1)OCC(=O)O" . "DKJMGIXWGPEEFF-UHFFFAOYSA-N" . "InChI=1S/C23H22IN5O5/c1-2-9-28-22(32)19-21(29(23(28)33)11-13-3-8-17(25)16(24)10-13)27-20(26-19)14-4-6-15(7-5-14)34-12-18(30)31/h3-8,10H,2,9,11-12,25H2,1H3,(H,26,27)(H,30,31)" . "CCn1c2nc([nH]c2c(=O)n(c1=O)CC)c1ccccc1" . "CCn1c2nc([nH]c2c(=O)n(c1=O)CC)c1ccccc1" . "LVSWNSHUTPWCNF-UHFFFAOYSA-N" . "InChI=1S/C15H16N4O2/c1-3-18-13-11(14(20)19(4-2)15(18)21)16-12(17-13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,16,17)" . "C=CCn1c2nc([nH]c2c(=O)n(c1=O)CC=C)C1CCCCC1" . "C=CCn1c2nc([nH]c2c(=O)n(c1=O)CC=C)C1CCCCC1" . "JPIQZRAYPNKFEI-UHFFFAOYSA-N" . "InChI=1S/C17H22N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h3-4,12H,1-2,5-11H2,(H,18,19)" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)C=CC(=O)O" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)/C=C/C(=O)O" . "UGCOFEOEBHUEHA-JXMROGBWSA-N" . "InChI=1S/C20H22N4O4/c1-3-11-23-18-16(19(27)24(12-4-2)20(23)28)21-17(22-18)14-8-5-13(6-9-14)7-10-15(25)26/h5-10H,3-4,11-12H2,1-2H3,(H,21,22)(H,25,26)/b10-7+" . "C=CCn1c2=NC(=c3cc([nH]n3C)OCC(=O)N3CCN(CC3)c3ccccc3)N=c2c(=O)n(c1=O)CC=C" . "C=CCn1c2=N/C(=c/3/cc([nH]n3C)OCC(=O)N3CCN(CC3)c3ccccc3)/N=c2c(=O)n(c1=O)CC=C" . "ZGPHNPBSZODLNU-GFMRDNFCSA-N" . "InChI=1S/C27H30N8O4/c1-4-11-34-25-23(26(37)35(12-5-2)27(34)38)28-24(29-25)20-17-21(30-31(20)3)39-18-22(36)33-15-13-32(14-16-33)19-9-7-6-8-10-19/h4-10,17,30H,1-2,11-16,18H2,3H3/b24-20-" . "CCCn1c2=NC(=c3cc([nH]n3C)OCC(=O)Nc3ccc(cc3)C(=O)O)N=c2c(=O)n(c1=O)CCC" . "CCCn1c2=N/C(=c/3/cc([nH]n3C)OCC(=O)Nc3ccc(cc3)C(=O)O)/N=c2c(=O)n(c1=O)CCC" . "GZUUJTYJVPFFTI-SILNSSARSA-N" . "InChI=1S/C24H27N7O6/c1-4-10-30-21-19(22(33)31(11-5-2)24(30)36)26-20(27-21)16-12-18(28-29(16)3)37-13-17(32)25-15-8-6-14(7-9-15)23(34)35/h6-9,12,28H,4-5,10-11,13H2,1-3H3,(H,25,32)(H,34,35)/b20-16-" . "CCOC(=O)c1ccc(cc1)NC(=O)COc1cc(=C2N=c3c(=N2)c(=O)n(c(=O)n3CCC)CCC)n([nH]1)C" . "CCOC(=O)c1ccc(cc1)NC(=O)COc1c/c(=C/2/N=c3c(=N2)c(=O)n(c(=O)n3CCC)CCC)/n([nH]1)C" . "ZGYHEWXZOUTFGG-PYCFMQQDSA-N" . "InChI=1S/C26H31N7O6/c1-5-12-32-23-21(24(35)33(13-6-2)26(32)37)28-22(29-23)18-14-20(30-31(18)4)39-15-19(34)27-17-10-8-16(9-11-17)25(36)38-7-3/h8-11,14,30H,5-7,12-13,15H2,1-4H3,(H,27,34)/b22-18-" . "CCCn1c2=NC(=c3o[nH]c(c3)OCC(=O)Nc3ccc4c(c3)OCO4)N=c2c(=O)n(c1=O)CCC" . "CCCn1c2=N/C(=c/3/o[nH]c(c3)OCC(=O)Nc3ccc4c(c3)OCO4)/N=c2c(=O)n(c1=O)CCC" . "JQHDVLXCXBJLFV-SILNSSARSA-N" . "InChI=1S/C23H24N6O7/c1-3-7-28-21-19(22(31)29(8-4-2)23(28)32)25-20(26-21)16-10-18(27-36-16)33-11-17(30)24-13-5-6-14-15(9-13)35-12-34-14/h5-6,9-10,27H,3-4,7-8,11-12H2,1-2H3,(H,24,30)/b20-16-" . "CCCn1c2=NC(=c3cc([nH]n3C)NC(=O)Cc3ccc(cc3)OCc3ccccc3)N=c2c(=O)n(c1=O)CCC" . "CCCn1c2=N/C(=c/3/cc([nH]n3C)NC(=O)Cc3ccc(cc3)OCc3ccccc3)/N=c2c(=O)n(c1=O)CCC" . "ZRBMCMRRVYCKPT-VYIQYICTSA-N" . "InChI=1S/C30H33N7O4/c1-4-15-36-28-26(29(39)37(16-5-2)30(36)40)32-27(33-28)23-18-24(34-35(23)3)31-25(38)17-20-11-13-22(14-12-20)41-19-21-9-7-6-8-10-21/h6-14,18,34H,4-5,15-17,19H2,1-3H3,(H,31,38)/b27-23-" . "CCCn1c2=NC(=c3cc([nH]n3C)OC(=O)CNc3ccc(c(c3)OC)OC)N=c2c(=O)n(c1=O)CCC" . "CCCn1c2=N/C(=c/3/cc([nH]n3C)OC(=O)CNc3ccc(c(c3)OC)OC)/N=c2c(=O)n(c1=O)CCC" . "OZNDSRMQISJHIZ-JWGURIENSA-N" . "InChI=1S/C25H31N7O6/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)16-13-19(29-30(16)3)38-20(33)14-26-15-8-9-17(36-4)18(12-15)37-5/h8-9,12-13,26,29H,6-7,10-11,14H2,1-5H3/b22-16-" . "CNC(=O)C1OC(C(C1O)O)n1cnc2c1ncnc2NCc1ccc(c(c1)I)N" . "CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1ccc(c(c1)[125I])N" . "LOGOEBMHHXYBID-WBKNRDRNSA-N" . "InChI=1S/C18H20IN7O4/c1-21-17(29)14-12(27)13(28)18(30-14)26-7-25-11-15(23-6-24-16(11)26)22-5-8-2-3-10(20)9(19)4-8/h2-4,6-7,12-14,18,27-28H,5,20H2,1H3,(H,21,29)(H,22,23,24)/t12-,13+,14-,18+/m0/s1/i19-2" . "CCNC(=O)C(=O)Nc1nc(Nc2ccccc2)c2c(n1)n(cn2)C1OC(C(C1O)O)CO" . "CCNC(=O)C(=O)Nc1nc(Nc2ccccc2)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO" . "ZLZSAUQLHYWSOL-HLFSEMCJSA-N" . "InChI=1S/C20H23N7O6/c1-2-21-17(31)18(32)26-20-24-15(23-10-6-4-3-5-7-10)12-16(25-20)27(9-22-12)19-14(30)13(29)11(8-28)33-19/h3-7,9,11,13-14,19,28-30H,2,8H2,1H3,(H,21,31)(H2,23,24,25,26,32)/t11-,13-,14-,19-/m1/s1" . "COc1c2c(=O)cc(oc2cc2c1cco2)C" . "COc1c2c(=O)cc(oc2cc2c1cco2)C" . "NZVQLVGOZRELTG-UHFFFAOYSA-N" . "InChI=1S/C13H10O4/c1-7-5-9(14)12-11(17-7)6-10-8(3-4-16-10)13(12)15-2/h3-6H,1-2H3" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN" . "FIQGIOAELHTLHM-UHFFFAOYSA-N" . "InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)" . "Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1" . "Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1" . "UTLPKQYUXOEJIL-UHFFFAOYSA-N" . "InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)" . "Oc1ccc(cc1I)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1" . "Oc1ccc(cc1[125I])CCNc1nc(N)n2c(n1)nc(n2)c1ccco1" . "RVECQPQWOUQTSZ-QZIRHQCUSA-N" . "InChI=1S/C16H14IN7O2/c17-10-8-9(3-4-11(10)25)5-6-19-15-21-14(18)24-16(22-15)20-13(23-24)12-2-1-7-26-12/h1-4,7-8,25H,5-6H2,(H3,18,19,20,21,22,23)/i17-2" . "Clc1ccc2c(c1)c(=O)c(c(o2)c1ccccc1)Cl" . "Clc1ccc2c(c1)c(=O)c(c(o2)c1ccccc1)Cl" . "PTNKLWUWHUGKTA-UHFFFAOYSA-N" . "InChI=1S/C15H8Cl2O2/c16-10-6-7-12-11(8-10)14(18)13(17)15(19-12)9-4-2-1-3-5-9/h1-8H" . "CCCn1c(=O)n(CCC)c(=O)c2c1nc(n2C)c1ccc(c(c1)OC)OC" . "CCCn1c(=O)n(CCC)c(=O)c2c1nc(n2C)c1ccc(c(c1)OC)OC" . "FSUNYKAEJIVAHY-UHFFFAOYSA-N" . "InChI=1S/C20H26N4O4/c1-6-10-23-18-16(19(25)24(11-7-2)20(23)26)22(3)17(21-18)13-8-9-14(27-4)15(12-13)28-5/h8-9,12H,6-7,10-11H2,1-5H3" . "CCCn1c(=O)n(CCC)c2c(c1=O)[nH]cn2" . "CCCn1c(=O)n(CCC)c2c(c1=O)[nH]cn2" . "MJVIGUCNSRXAFO-UHFFFAOYSA-N" . "InChI=1S/C11H16N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7H,3-6H2,1-2H3,(H,12,13)" . "OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCc1ccccc1C" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1ccccc1C" . "OOEMZCZWZXHBKW-SCFUHWHPSA-N" . "InChI=1S/C18H21N5O4/c1-10-4-2-3-5-11(10)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)27-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1" . "CCNC(=O)C1OC(C(C1O)O)n1cnc2c1ncnc2N" . "CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N" . "JADDQZYHOWSFJD-FLNNQWSLSA-N" . "InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1" . "CCNC(=O)C1OC(C(C1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N" . "CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N" . "PAOANWZGLPPROA-RQXXJAGISA-N" . "InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1" . "OCC1OC(C(C1O)O)n1cnc2c1ncnc2NC1CCCCC1" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCCC1" . "SZBULDQSDUXAPJ-XNIJJKJLSA-N" . "InChI=1S/C16H23N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1" . "CNC(=O)C1OC(C(C1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I" . "CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1)I" . "HUJXGQILHAUCCV-MOROJQBDSA-N" . "InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1" . "OCC1OC(C(C1O)O)n1cnc2c1nc(Nc1ccccc1)nc2N" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Nc1ccccc1)nc2N" . "SCNILGOVBBRMBK-SDBHATRESA-N" . "InChI=1S/C16H18N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H3,17,19,20,21)/t9-,11-,12-,15-/m1/s1" . "OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)OC" . "OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)OC" . "VKSRAKNPXOTFAX-UHFFFAOYSA-N" . "InChI=1S/C17H19N5O5/c1-26-9-4-2-8(3-5-9)15-20-14(18)11-16(21-15)22(7-19-11)17-13(25)12(24)10(6-23)27-17/h2-5,7,10,12-13,17,23-25H,6H2,1H3,(H2,18,20,21)" . "OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCC(c1ccccc1C)c1cc(OC)cc(c1)OC" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCC(c1ccccc1C)c1cc(OC)cc(c1)OC" . "BUHVIAUBTBOHAG-FOYDDCNASA-N" . "InChI=1S/C27H31N5O6/c1-15-6-4-5-7-19(15)20(16-8-17(36-2)10-18(9-16)37-3)11-28-25-22-26(30-13-29-25)32(14-31-22)27-24(35)23(34)21(12-33)38-27/h4-10,13-14,20-21,23-24,27,33-35H,11-12H2,1-3H3,(H,28,29,30)/t20?,21-,23-,24-,27-/m1/s1" . "OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCCc1ccc(cc1)N" . "OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCCc1ccc(cc1)N" . "XTPOZVLRZZIEBW-UHFFFAOYSA-N" . "InChI=1S/C18H22N6O4/c19-11-3-1-10(2-4-11)5-6-20-16-13-17(22-8-21-16)24(9-23-13)18-15(27)14(26)12(7-25)28-18/h1-4,8-9,12,14-15,18,25-27H,5-7,19H2,(H,20,21,22)" . "CNC(=O)C1OC(C(C1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)N" . "CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)N" . "LDYMCRRFCMRFKB-MOROJQBDSA-N" . "InChI=1S/C18H21N7O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-2-4-10(19)5-3-9/h2-5,7-8,12-14,18,26-27H,6,19H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1" . "OCC1OC(C(C1O)O)n1cnc2c1ncnc2NC(Cc1ccccc1)C" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@H](Cc1ccccc1)C" . "RIRGCFBBHQEQQH-KFAHYOAQSA-N" . "InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13+,15+,16+,19+/m0/s1" . "OCC1OC(C(C1O)O)n1cnc2c1ncnc2NC(Cc1ccccc1)C" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N[C@@H](Cc1ccccc1)C" . "RIRGCFBBHQEQQH-SSFGXONLSA-N" . "InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)/t11-,13-,15-,16-,19-/m1/s1" . "Cn1c(=O)n(C)c2c(c1=O)[nH]cn2" . "Cn1c(=O)n(C)c2c(c1=O)[nH]cn2" . "ZFXYFBGIUFBOJW-UHFFFAOYSA-N" . "InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)" . "COc1cc2OC(CC(=O)c2c(c1)O)c1ccc(cc1)O" . "COc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccc(cc1)O" . "DJOJDHGQRNZXQQ-AWEZNQCLSA-N" . "InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1" . "Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O" . "Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O" . "YXOLAZRVSSWPPT-UHFFFAOYSA-N" . "InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H" . "Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1" . "Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1" . "VCCRNZQBSJXYJD-UHFFFAOYSA-N" . "InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1" . "C([3H])CC(n1c2nc([nH]c2c(=O)n(c1=O)C(CC[3H])[3H])C1CCCC1)[3H]" . "FFBDFADSZUINTG-LEZITTIZSA-N" . "InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)/i1T,2T,9T,10T" . "Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1" . "Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1" . "PWTBZOIUWZOPFT-UHFFFAOYSA-N" . "InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN" . "FIQGIOAELHTLHM-UHFFFAOYSA-N" . "InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)" . "Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1" . "Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1" . "UTLPKQYUXOEJIL-UHFFFAOYSA-N" . "InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)" . "COc1cc(OC)c2c(c1)oc(c(c2=O)OC)c1ccccc1" . "COc1cc(OC)c2c(c1)oc(c(c2=O)OC)c1ccccc1" . "CBTHKWVPSIGKMI-UHFFFAOYSA-N" . "InChI=1S/C18H16O5/c1-20-12-9-13(21-2)15-14(10-12)23-17(18(22-3)16(15)19)11-7-5-4-6-8-11/h4-10H,1-3H3" . "O=c1c(Cl)c(oc2c1cccc2)c1ccccc1" . "O=c1c(Cl)c(oc2c1cccc2)c1ccccc1" . "FHXDSQYFCFWKAW-UHFFFAOYSA-N" . "InChI=1S/C15H9ClO2/c16-13-14(17)11-8-4-5-9-12(11)18-15(13)10-6-2-1-3-7-10/h1-9H" . "CCOc1cc(O)c2c(c1)oc(c(c2=O)OCC)c1ccccc1" . "CCOc1cc(O)c2c(c1)oc(c(c2=O)OCC)c1ccccc1" . "ZPEWNDIPSPULBP-UHFFFAOYSA-N" . "InChI=1S/C19H18O5/c1-3-22-13-10-14(20)16-15(11-13)24-18(12-8-6-5-7-9-12)19(17(16)21)23-4-2/h5-11,20H,3-4H2,1-2H3" . "CCOc1ccc(c(c1)OCC)c1oc2cc(OCC)cc(c2c(=O)c1OCC)OCC" . "CCOc1ccc(c(c1)OCC)c1oc2cc(OCC)cc(c2c(=O)c1OCC)OCC" . "JVGSHXMDRPGOQM-UHFFFAOYSA-N" . "InChI=1S/C25H30O7/c1-6-27-16-11-12-18(19(13-16)29-8-3)24-25(31-10-5)23(26)22-20(30-9-4)14-17(28-7-2)15-21(22)32-24/h11-15H,6-10H2,1-5H3" . "CCCOc1c2c(=O)cc(oc2cc2c1cco2)C=Cc1ccccc1" . "CCCOc1c2c(=O)cc(oc2cc2c1cco2)/C=C/c1ccccc1" . "RCPBGBWHKGZPFO-CMDGGOBGSA-N" . "InChI=1S/C22H18O4/c1-2-11-25-22-17-10-12-24-19(17)14-20-21(22)18(23)13-16(26-20)9-8-15-6-4-3-5-7-15/h3-10,12-14H,2,11H2,1H3/b9-8+" . "CCOc1c2c(=O)cc(oc2cc2c1cco2)C=Cc1ccccc1" . "CCOc1c2c(=O)cc(oc2cc2c1cco2)/C=C/c1ccccc1" . "TZRUAYHMQMKKLT-CMDGGOBGSA-N" . "InChI=1S/C21H16O4/c1-2-23-21-16-10-11-24-18(16)13-19-20(21)17(22)12-15(25-19)9-8-14-6-4-3-5-7-14/h3-13H,2H2,1H3/b9-8+" . "COc1c2c(=O)cc(oc2cc2c1cco2)C=Cc1ccccc1" . "COc1c2c(=O)cc(oc2cc2c1cco2)/C=C/c1ccccc1" . "HTBFQFPYNPJVLO-BQYQJAHWSA-N" . "InChI=1S/C20H14O4/c1-22-20-15-9-10-23-17(15)12-18-19(20)16(21)11-14(24-18)8-7-13-5-3-2-4-6-13/h2-12H,1H3/b8-7+" . "COc1ccc2c(c1)C(=O)C(C(O2)(C#Cc1ccccc1)c1ccccc1)O" . "COc1ccc2c(c1)C(=O)C(C(O2)(C#Cc1ccccc1)c1ccccc1)O" . "ITOHYACNWAMSCT-UHFFFAOYSA-N" . "InChI=1S/C24H18O4/c1-27-19-12-13-21-20(16-19)22(25)23(26)24(28-21,18-10-6-3-7-11-18)15-14-17-8-4-2-5-9-17/h2-13,16,23,26H,1H3" . "CCCOc1cc(OCCC)c2c(c1)oc(c(c2=O)OCCC)c1ccccc1" . "CCCOc1cc(OCCC)c2c(c1)oc(c(c2=O)OCCC)c1ccccc1" . "ABZJCSJCNNCZRY-UHFFFAOYSA-N" . "InChI=1S/C24H28O5/c1-4-12-26-18-15-19(27-13-5-2)21-20(16-18)29-23(17-10-8-7-9-11-17)24(22(21)25)28-14-6-3/h7-11,15-16H,4-6,12-14H2,1-3H3" . "CCOc1cc(OCC)c2c(c1)oc(c(c2=O)OCC)c1ccccc1" . "CCOc1cc(OCC)c2c(c1)oc(c(c2=O)OCC)c1ccccc1" . "YMQQPRDUZIXHBJ-UHFFFAOYSA-N" . "InChI=1S/C21H22O5/c1-4-23-15-12-16(24-5-2)18-17(13-15)26-20(14-10-8-7-9-11-14)21(19(18)22)25-6-3/h7-13H,4-6H2,1-3H3" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc2c(c1)OCO2" . "DBWQRFKXNBVPGA-UHFFFAOYSA-N" . "InChI=1S/C24H27N7O6/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-11-19(28-29(15)3)35-12-18(32)25-14-6-7-16-17(10-14)37-13-36-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,25,32)(H,26,27)" . "OCCN(CCn1c(Cc2ccccc2)nc2c1c(=O)n(CCC)c(=O)n2CCc1ccc(cc1)N)CC" . "OCCN(CCn1c(Cc2ccccc2)nc2c1c(=O)n(CCC)c(=O)n2CCc1ccc(cc1)N)CC" . "QVEHDKFBFDUCEZ-UHFFFAOYSA-N" . "InChI=1S/C29H38N6O3/c1-3-15-35-28(37)26-27(34(29(35)38)16-14-22-10-12-24(30)13-11-22)31-25(21-23-8-6-5-7-9-23)33(26)18-17-32(4-2)19-20-36/h5-13,36H,3-4,14-21,30H2,1-2H3" . "CC(Cn1c(=O)n(C)c(=O)c2c1nc[nH]2)C" . "CC(Cn1c(=O)n(C)c(=O)c2c1nc[nH]2)C" . "APIXJSLKIYYUKG-UHFFFAOYSA-N" . "InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)" . "CN1CCC(CC1)n1nc(ccc1=O)c1c(nn2c1cccc2)c1ccccc1" . "CN1CCC(CC1)n1nc(ccc1=O)c1c(nn2c1cccc2)c1ccccc1" . "YHDRUTMZCJZJAL-UHFFFAOYSA-N" . "InChI=1S/C23H23N5O/c1-26-15-12-18(13-16-26)28-21(29)11-10-19(24-28)22-20-9-5-6-14-27(20)25-23(22)17-7-3-2-4-8-17/h2-11,14,18H,12-13,15-16H2,1H3" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1" . "FFBDFADSZUINTG-UHFFFAOYSA-N" . "InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)" . "Cn1c2nc([nH]c2c(=O)n(c1=O)C)C1CCCC1" . "Cn1c2nc([nH]c2c(=O)n(c1=O)C)C1CCCC1" . "SCVHFRLUNIOSGI-UHFFFAOYSA-N" . "InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)" . "Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1" . "Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1" . "MSJODEOZODDVGW-UHFFFAOYSA-N" . "InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)C)C" . "CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)C)C" . "FCMUQGWJTIVYIU-UHFFFAOYSA-N" . "InChI=1S/C25H31N7O4/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)18-13-20(29-30(18)5)36-14-19(33)26-17-9-8-15(3)16(4)12-17/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,26,33)(H,27,28)" . "CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)N1CCN(CC1)c1ccccc1" . "CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)N1CCN(CC1)c1ccccc1" . "BVHLYIIHYJFKSI-UHFFFAOYSA-N" . "InChI=1S/C27H34N8O4/c1-4-11-34-25-23(26(37)35(12-5-2)27(34)38)28-24(29-25)20-17-21(30-31(20)3)39-18-22(36)33-15-13-32(14-16-33)19-9-7-6-8-10-19/h6-10,17H,4-5,11-16,18H2,1-3H3,(H,28,29)" . "CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)Cl)Cl" . "CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1cc(nn1C)OCC(=O)Nc1ccc(c(c1)Cl)Cl" . "OESRCCUPNGDTIR-UHFFFAOYSA-N" . "InChI=1S/C23H25Cl2N7O4/c1-4-8-31-21-19(22(34)32(9-5-2)23(31)35)27-20(28-21)16-11-18(29-30(16)3)36-12-17(33)26-13-6-7-14(24)15(25)10-13/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,26,33)(H,27,28)" . "OCC1OC(C(C1O)O)n1cnc2c1ncnc2NC1CCCC1" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCC1" . "SQMWSBKSHWARHU-SDBHATRESA-N" . "InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1" . "OCC1OC(C(C1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1" . "XSMYYYQVWPZWIZ-IDTAVKCVSA-N" . "InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1" . "CCNC(=O)C1OC(C(C1O)O)n1cnc2c1nc(C#Cc1ccccc1)nc2N" . "CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(C#Cc1ccccc1)nc2N" . "SWXXHYTUMIMRFO-KSVNGYGVSA-N" . "InChI=1S/C20H20N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,2H2,1H3,(H,22,29)(H2,21,24,25)/t14-,15+,16-,20+/m0/s1" . "CN1CCC2(CC1)CC(=C)C(O2)C" . "CN1CCC2(CC1)CC(=C)C(O2)C" . "HDTOQYUZMCNTBZ-UHFFFAOYSA-N" . "InChI=1S/C11H19NO/c1-9-8-11(13-10(9)2)4-6-12(3)7-5-11/h10H,1,4-8H2,2-3H3" . "CCNC(=O)C1OC(C(C1O)O)n1cnc2c1ncnc2N" . "CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N" . "JADDQZYHOWSFJD-FLNNQWSLSA-N" . "InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1" . "OCCSc1nc(N)c(c(c1C#N)c1ccc(cc1)O)C#N" . "OCCSc1nc(N)c(c(c1C#N)c1ccc(cc1)O)C#N" . "GYIHPWFWFRELQC-UHFFFAOYSA-N" . "InChI=1S/C15H12N4O2S/c16-7-11-13(9-1-3-10(21)4-2-9)12(8-17)15(19-14(11)18)22-6-5-20/h1-4,20-21H,5-6H2,(H2,18,19)" . "CCNC(=O)C1OC(C(C1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N" . "CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N" . "PAOANWZGLPPROA-RQXXJAGISA-N" . "InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1" . "OCC1OC(C(C1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1" . "XSMYYYQVWPZWIZ-IDTAVKCVSA-N" . "InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1" . "CCCCC#Cc1nc(N)c2c(n1)n(cn2)C1OC(C(C1O)O)C(=O)NCC" . "CCCCC#Cc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)C(=O)NCC" . "FDEACFAXFCKCHZ-MOROJQBDSA-N" . "InChI=1S/C18H24N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1" . "OCC1OC(C(C1O)O)n1cnc2c1nc(Cl)nc2N" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2N" . "BIXYYZIIJIXVFW-UUOKFMHZSA-N" . "InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1" . "CCNC(=O)C1OC(C(C1O)O)n1cnc2c1nc(C#CC(c1ccccc1)O)nc2N" . "CCNC(=O)[C@H]1O[C@H]([C@H]([C@H]1O)O)n1cnc2c1nc(C#CC(c1ccccc1)O)nc2N" . "WOAZCBPWCCREDO-CERUIEQFSA-N" . "InChI=1S/C21H22N6O5/c1-2-23-20(31)17-15(29)16(30)21(32-17)27-10-24-14-18(22)25-13(26-19(14)27)9-8-12(28)11-6-4-3-5-7-11/h3-7,10,12,15-17,21,28-30H,2H2,1H3,(H,23,31)(H2,22,25,26)/t12?,15-,16+,17+,21-/m1/s1" . "CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC" . "CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC" . "MZDYABXXPZNUCT-UHFFFAOYSA-N" . "InChI=1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34)" . "O=C(C(c1cccs1)(c1cccs1)O)OC1CC2C3C(C(C1)[N+]2(C)C)O3" . "O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3" . "LERNTVKEWCAPOY-FPISHFTHSA-N" . "InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11?,12-,13+,16-,17+" . "O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2" . "O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2" . "HOOSGZJRQIVJSZ-UHFFFAOYSA-N" . "InChI=1S/C22H26NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20,25H,12-16H2,1H3/q+1" . "OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)N2C" . "OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C" . "RKUNBYITZUJHSG-SPUOUPEWSA-N" . "InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?" . "Cc1cccc2c1C(=O)N(C2=O)CCC[N+](CCCCCC[N+](CCCN1C(=O)c2c(C1=O)c(C)ccc2)(C)C)(C)C" . "Cc1cccc2c1C(=O)N(C2=O)CCC[N+](CCCCCC[N+](CCCN1C(=O)c2c(C1=O)c(C)ccc2)(C)C)(C)C" . "HMXRJKOINNJHNS-UHFFFAOYSA-N" . "InChI=1S/C34H48N4O4/c1-25-15-11-17-27-29(25)33(41)35(31(27)39)19-13-23-37(3,4)21-9-7-8-10-22-38(5,6)24-14-20-36-32(40)28-18-12-16-26(2)30(28)34(36)42/h11-12,15-18H,7-10,13-14,19-24H2,1-6H3/q+2" . "Cc1cccc2c1C(=O)N(C2=O)CCC[N+](CCCCCC[N+](CCCN1C(=O)c2c(C1=O)c(C)ccc2)(C)C)(C)C" . "Cc1cccc2c1C(=O)N(C2=O)CCC[N+](CCCCCC[N+](CCCN1C(=O)c2c(C1=O)c(C)ccc2)(C)C)(C)C" . "HMXRJKOINNJHNS-UHFFFAOYSA-N" . "InChI=1S/C34H48N4O4/c1-25-15-11-17-27-29(25)33(41)35(31(27)39)19-13-23-37(3,4)21-9-7-8-10-22-38(5,6)24-14-20-36-32(40)28-18-12-16-26(2)30(28)34(36)42/h11-12,15-18H,7-10,13-14,19-24H2,1-6H3/q+2" . "O=C1N(CON=Cc2cc[n+](cc2)CCC[n+]2ccc(cc2)C=NOCN2C(=O)c3c(C2=O)cccc3)C(=O)c2c1cccc2" . "O=C1N(CO/N=C/c2cc[n+](cc2)CCC[n+]2ccc(cc2)/C=N/OCN2C(=O)c3c(C2=O)cccc3)C(=O)c2c1cccc2" . "OLTRDACQFPTOSK-XCUVAWFXSA-N" . "InChI=1S/C33H28N6O6/c40-30-26-6-1-2-7-27(26)31(41)38(30)22-44-34-20-24-10-16-36(17-11-24)14-5-15-37-18-12-25(13-19-37)21-35-45-23-39-32(42)28-8-3-4-9-29(28)33(39)43/h1-4,6-13,16-21H,5,14-15,22-23H2/q+2/b34-20-,35-21-" . "O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2" . "O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2" . "WDAXQFXYXWPELC-UHFFFAOYSA-N" . "InChI=1S/C32H44N4O4/c1-35(2,23-13-19-33-29(37)25-15-7-8-16-26(25)30(33)38)21-11-5-6-12-22-36(3,4)24-14-20-34-31(39)27-17-9-10-18-28(27)32(34)40/h7-10,15-18H,5-6,11-14,19-24H2,1-4H3/q+2" . "CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C" . "CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C" . "YUJOQEAGGUIMED-UHFFFAOYSA-N" . "InChI=1S/C64H77N13O6/c1-72(41-20-8-5-17-35-65-44-56(78)75-53-32-14-11-26-47(53)62(81)69-50-29-23-36-66-59(50)75)39-18-6-3-4-7-19-40-73(2)42-21-9-10-22-43-74(45-57(79)76-54-33-15-12-27-48(54)63(82)70-51-30-24-37-67-60(51)76)46-58(80)77-55-34-16-13-28-49(55)64(83)71-52-31-25-38-68-61(52)77/h11-16,23-34,36-38,65H,3-10,17-22,35,39-46H2,1-2H3,(H,69,81)(H,70,82)(H,71,83)" . "Cc1ccc(c(c1)C(c1ccccc1)CCN(C(C)C)C(C)C)O" . "Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O" . "OOGJQPCLVADCPB-HXUWFJFHSA-N" . "InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1" . "CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC" . "CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC" . "XIQVNETUBQGFHX-UHFFFAOYSA-N" . "InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3" . "O=C1CCC(C(=O)N1)(C1CCN(CC1)Cc1ccccc1)c1ccccc1" . "O=C1CC[C@@](C(=O)N1)(C1CCN(CC1)Cc1ccccc1)c1ccccc1" . "LQQIVYSCPWCSSD-QHCPKHFHSA-N" . "InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)/t23-/m0/s1" . "CN(CCCN1c2ccccc2CCc2c1cccc2)C" . "CN(CCCN1c2ccccc2CCc2c1cccc2)C" . "BCGWQEUPMDMJNV-UHFFFAOYSA-N" . "InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3" . "CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC" . "CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC" . "OZLPUNFFCJDMJD-UHFFFAOYSA-N" . "InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3" . "CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC" . "CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC" . "CURUTKGFNZGFSE-UHFFFAOYSA-N" . "InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3" . "O=C1CCC(C(=O)N1)(C1CCN(CC1)Cc1ccccc1)c1ccccc1" . "O=C1CC[C@](C(=O)N1)(C1CCN(CC1)Cc1ccccc1)c1ccccc1" . "LQQIVYSCPWCSSD-HSZRJFAPSA-N" . "InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)/t23-/m1/s1" . "CN1CCC(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O" . "CN1CCC(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O" . "UGYPGJCVNPPUPE-UHFFFAOYSA-N" . "InChI=1S/C20H23NO3/c1-21-14-12-18(13-15-21)24-19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3" . "O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2" . "O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2" . "HOOSGZJRQIVJSZ-UHFFFAOYSA-N" . "InChI=1S/C22H26NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20,25H,12-16H2,1H3/q+1" . "CN1CCC2(CC1)CC(=C)C(O2)C" . "CN1CCC2(CC1)CC(=C)[C@H](O2)C" . "HDTOQYUZMCNTBZ-SNVBAGLBSA-N" . "InChI=1S/C11H19NO/c1-9-8-11(13-10(9)2)4-6-12(3)7-5-11/h10H,1,4-8H2,2-3H3/t10-/m1/s1" . "COc1ccc(cc1)S(=O)c1ccc(cc1)C(N1CCN(CC1)C1CCCCC1)C#N" . "COc1ccc(cc1)S(=O)c1ccc(cc1)C(N1CCN(CC1)C1CCCCC1)C#N" . "BFELQLHLUNQIHL-UHFFFAOYSA-N" . "InChI=1S/C25H31N3O2S/c1-30-22-9-13-24(14-10-22)31(29)23-11-7-20(8-12-23)25(19-26)28-17-15-27(16-18-28)21-5-3-2-4-6-21/h7-14,21,25H,2-6,15-18H2,1H3" . "COC(=O)C1(O)CC2(CC)CCCN3C2c2n1c1ccccc1c2CC3" . "COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3" . "RXPRRQLKFXBCSJ-GIVPXCGWSA-N" . "InChI=1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18-,20+,21+/m1/s1" . "OCCc1sc2=Nc3c(Cn2c1C)cnc(n3)C" . "OCCc1sc2=Nc3c(Cn2c1C)cnc(n3)C" . "GTQXMAIXVFLYKF-UHFFFAOYSA-N" . "InChI=1S/C12H14N4OS/c1-7-10(3-4-17)18-12-15-11-9(6-16(7)12)5-13-8(2)14-11/h5,17H,3-4,6H2,1-2H3" . "O=C1CC2OCC=C3C4C2C2N1c1ccccc1C12CCN(C1C4)C3" . "O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3" . "QMGVPVSNSZLJIA-FVWCLLPLSA-N" . "InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1" . "CNC1CC2OC(C1OC)(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O" . "CN[C@@H]1C[C@H]2O[C@]([C@@H]1OC)(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O" . "HKSZLNNOFSGOKW-FYTWVXJKSA-N" . "InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1" . "CCC12CCCN3C2c2n(C(=O)C1)c1c(c2CC3)cccc1" . "CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1" . "WYJAPUKIYAZSEM-MOPGFXCFSA-N" . "InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3/t18-,19+/m1/s1" . "COc1cc2c(cc1OC)N1C3C42CC[N+]2(C4CC4C3C(CC1=O)OCC=C4C2)CCl" . "COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)CCl" . "GCEPQLWZBVGLQN-CQIPDZJVSA-N" . "InChI=1S/C24H28ClN2O4/c1-29-17-8-15-16(9-18(17)30-2)26-21(28)10-19-22-14-7-20-24(15,23(22)26)4-5-27(20,12-25)11-13(14)3-6-31-19/h3,8-9,14,19-20,22-23H,4-7,10-12H2,1-2H3/q+1/t14-,19-,20-,22-,23-,24+,27?/m0/s1" . "COc1cc2c(cc1OC)N1C3C42CC[N+]2(C4CC4C3C(CC1=O)OCC=C4C2)[O-]" . "COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N@@+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)[O-]" . "HHHQMKWPZAYIAE-WAIXHZNCSA-N" . "InChI=1S/C23H26N2O5/c1-28-16-8-14-15(9-17(16)29-2)24-20(26)10-18-21-13-7-19-23(14,22(21)24)4-5-25(19,27)11-12(13)3-6-30-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+,25+/m0/s1" . "COc1cc2c(cc1OC)N1C3C42CCN2C4CC4C3C(CC1=O)OCC=C4C2" . "COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2" . "RRKTZKIUPZVBMF-IBTVXLQLSA-N" . "InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1" . "C=CC[N+]12CCC34C2CC(C(=CCO)C1)C1=CN2c5ccccc5C56C2C(=CN(C31)c1c4cccc1)C1CC6[N+](CC1=CCO)(CC5)CC=C" . "C=CC[N+]12CC[C@@]34[C@@H]2C[C@@H](C(=CCO)C1)C1=CN2c5ccccc5[C@]56[C@@H]2C(=CN([C@H]31)c1c4cccc1)[C@H]1C[C@@H]6[N+](CC1=CCO)(CC5)CC=C" . "MUQUYTSLDVKIOF-NCQXAQDZSA-N" . "InChI=1S/C44H50N4O2/c1-3-17-47-19-15-43-35-9-5-7-11-37(35)45-26-34-32-24-40-44(16-20-48(40,18-4-2)28-30(32)14-22-50)36-10-6-8-12-38(36)46(42(34)44)25-33(41(43)45)31(23-39(43)47)29(27-47)13-21-49/h3-14,25-26,31-32,39-42,49-50H,1-2,15-24,27-28H2/q+2/b29-13?,30-14?,33-25-,34-26-/t31-,32-,39-,40-,41-,42-,43+,44+,47?,48?/m0/s1" . "C#CC1(O)CCC2C1(C)CCC1C2CCC2=Cc3c(CC12C)cn1c(n3)nc2c1cccc2" . "C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=Cc3c(C[C@]12C)cn1c(n3)nc2c1cccc2" . "YBCYJDNOPAFFOW-XOAARHKISA-N" . "InChI=1S/C29H31N3O/c1-4-29(33)14-12-22-20-10-9-19-15-24-18(16-27(19,2)21(20)11-13-28(22,29)3)17-32-25-8-6-5-7-23(25)30-26(32)31-24/h1,5-8,15,17,20-22,33H,9-14,16H2,2-3H3/t20-,21+,22+,27+,28+,29+/m1/s1" . "C#CC1(O)CCC2C1(C)CCC1C2CCC2C1(C)Cc1cn3c(nc1C2)nc1c3cccc1" . "C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)Cc1cn3c(nc1C2)nc1c3cccc1" . "AIIXYCDTEGICEE-HZVAOYAWSA-N" . "InChI=1S/C29H33N3O/c1-4-29(33)14-12-22-20-10-9-19-15-24-18(16-27(19,2)21(20)11-13-28(22,29)3)17-32-25-8-6-5-7-23(25)30-26(32)31-24/h1,5-8,17,19-22,33H,9-16H2,2-3H3/t19-,20+,21-,22-,27-,28-,29-/m0/s1" . "COC(=O)C1(OC)CC2OC1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CN(C1=O)C" . "COC(=O)[C@@]1(OC)C[C@H]2O[C@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CN(C1=O)C" . "QTYMDECKVKSGSM-YMUMJAELSA-N" . "InChI=1S/C29H25N3O5/c1-28-29(36-4,27(34)35-3)13-20(37-28)31-18-11-7-5-9-15(18)22-23-17(14-30(2)26(23)33)21-16-10-6-8-12-19(16)32(28)25(21)24(22)31/h5-12,20H,13-14H2,1-4H3/t20-,28+,29+/m1/s1" . "CCCCCCOC(=O)C1(O)CC2OC1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O" . "CCCCCCOC(=O)[C@@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O" . "ZHEHVZXPFVXKEY-IKZDWWSZSA-N" . "InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32-/m0/s1" . "COC(=O)C1(O)CC2OC1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O" . "COC(=O)[C@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O" . "KOZFSFOOLUUIGY-IYYJOCMQSA-N" . "InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18-,26+,27+/m0/s1" . "COc1ccc2c(c1)c1c3c(=O)[nH]c(=O)c3c3c(c1n2CC(CN(C)C)O)n(C)c1c3cccc1" . "COc1ccc2c(c1)c1c3c(=O)[nH]c(=O)c3c3c(c1n2CC(CN(C)C)O)n(C)c1c3cccc1" . "NYBAPNLYWRMTJL-UHFFFAOYSA-N" . "InChI=1S/C27H26N4O4/c1-29(2)12-14(32)13-31-19-10-9-15(35-4)11-17(19)21-23-22(26(33)28-27(23)34)20-16-7-5-6-8-18(16)30(3)24(20)25(21)31/h5-11,14,32H,12-13H2,1-4H3,(H,28,33,34)" . "CCCCC1CCN(CC1)CCCN1C(=O)COc2c1ccc(c2)F" . "CCCCC1CCN(CC1)CCCN1C(=O)COc2c1ccc(c2)F" . "BWAKMLKESHKOHK-UHFFFAOYSA-N" . "InChI=1S/C20H29FN2O2/c1-2-3-5-16-8-12-22(13-9-16)10-4-11-23-18-7-6-17(21)14-19(18)25-15-20(23)24/h6-7,14,16H,2-5,8-13,15H2,1H3" . "Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1" . "Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1" . "HESZUPIXRNZIOI-UHFFFAOYSA-N" . "InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19,21H,7-10H2" . "COc1cc2c(cc1OC)N1C3C42CC[N+]2(C4CC4C3C(CC1=O)OCC=C4C2)Cc1ccccc1" . "COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)Cc1ccccc1" . "XFMQETLKDRNYRE-QIBSSCBHSA-N" . "InChI=1S/C30H33N2O4/c1-34-23-13-21-22(14-24(23)35-2)31-27(33)15-25-28-20-12-26-30(21,29(28)31)9-10-32(26,17-19(20)8-11-36-25)16-18-6-4-3-5-7-18/h3-8,13-14,20,25-26,28-29H,9-12,15-17H2,1-2H3/q+1/t20-,25-,26-,28-,29-,30+,32?/m0/s1" . "C[N+]1(C)CCN(CC1)C[Si](c1ccccc1)(C1CCCCC1)O" . "C[N+]1(C)CCN(CC1)C[Si](c1ccccc1)(C1CCCCC1)O" . "GBISIIAKUATURW-UHFFFAOYSA-N" . "InChI=1S/C19H33N2OSi/c1-21(2)15-13-20(14-16-21)17-23(22,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,22H,4,7-8,11-17H2,1-2H3/q+1" . "OCC(c1ccccc1)C(=O)OC1CC2N(C(C1)C1C2O1)C" . "OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C" . "STECJAGHUSJQJN-FWXGHANASA-N" . "InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15-,16+/m1/s1" . "O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C" . "O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C" . "VVWYOYDLCMFIEM-UHFFFAOYSA-N" . "InChI=1S/C23H30NO3/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22/h6-13,16-17,22H,14-15H2,1-5H3/q+1" . "CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2" . "CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2" . "RMHMFHUVIITRHF-UHFFFAOYSA-N" . "InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)" . "COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC" . "COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC" . "RPMBYDYUVKEZJA-UHFFFAOYSA-N" . "InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3" . "OC(C[N+](C)(C)C)CCCC(C1CCC2C1(C)CCC1C2CCC2C1(C)CCC(C2)O)C" . "OC(C[N+](C)(C)C)CCCC(C1CCC2C1(C)CCC1C2CCC2C1(C)CCC(C2)O)C" . "KWEWGNPMETZMTR-UHFFFAOYSA-N" . "InChI=1S/C29H54NO2/c1-20(8-7-9-23(32)19-30(4,5)6)25-12-13-26-24-11-10-21-18-22(31)14-16-28(21,2)27(24)15-17-29(25,26)3/h20-27,31-32H,7-19H2,1-6H3/q+1" . "OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C" . "OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C" . "OEXHQOGQTVQTAT-UHFFFAOYSA-N" . "InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1" . "CC1OC(=O)C2C1C(C=CC1CCCC(N1C)C)C1CCCCC1C2" . "C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2" . "FMPNFDSPHNUFOS-LPJDIUFZSA-N" . "InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16+,17+,18-,19+,20-,21+/m0/s1" . "C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O" . "C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O" . "ZRYHPQCHHOKSMD-UHFFFAOYSA-N" . "InChI=1S/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1" . "OC(c1ccccc1)(C1CCCCC1)CCCN1CCCCC1" . "OC(c1ccccc1)(C1CCCCC1)CCCN1CCCCC1" . "ILHSFCNKNNNPRN-UHFFFAOYSA-N" . "InChI=1S/C21H33NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1,4-5,11-12,20,23H,2-3,6-10,13-18H2" . "NC(=O)C(c1ccccc1)(c1ccccc1)C1CCN(C1)CCc1ccc2c(c1)CCO2" . "NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2" . "HXGBXQDTNZMWGS-RUZDIDTESA-N" . "InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1" . "NC(=O)C(c1ccccc1)(c1ccccc1)C1CCN(C1)CCc1ccc2c(c1)CCO2" . "NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2" . "HXGBXQDTNZMWGS-RUZDIDTESA-N" . "InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1" . "O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2" . "O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2" . "HGMITUYOCPPQLE-UHFFFAOYSA-N" . "InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2" . "OCC(c1ccccc1)C(=O)OC1CC2C3C(C(C1)[N+]2(C)C)O3" . "OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3" . "LZCOQTDXKCNBEE-XJMZPCNVSA-N" . "InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12?,13-,14-,15+,16-,17+/m1/s1" . "OCC(c1ccccc1)C(=O)OC1CC2C3C(C(C1)[N+]2(C)C)O3" . "OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3" . "LZCOQTDXKCNBEE-XJMZPCNVSA-N" . "InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12?,13-,14-,15+,16-,17+/m1/s1" . "O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1" . "O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1" . "QTBCATBNRIYMPB-UHFFFAOYSA-N" . "InChI=1S/C20H33NOSi/c22-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)18-10-17-21-15-8-3-9-16-21/h1,4-5,11-12,20,22H,2-3,6-10,13-18H2" . "CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC" . "CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC" . "UBRKDAVQCKZSPO-UHFFFAOYSA-N" . "InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)" . "Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O" . "Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O" . "ZNSZQJHTFRQUPD-UHFFFAOYSA-N" . "InChI=1S/C20H32FNOSi/c21-18-10-12-20(13-11-18)24(23,19-8-3-1-4-9-19)17-7-16-22-14-5-2-6-15-22/h10-13,19,23H,1-9,14-17H2" . "O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C" . "O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C" . "HYJRTXSYDAFGJK-UHFFFAOYSA-N" . "InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1" . "CON=C(C1CN2CCC1CC2)C#N" . "CO/N=C(/[C@H]1CN2CCC1CC2)/C#N" . "IQWCBYSUUOFOMF-QTLFRQQHSA-N" . "InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1" . "CCC1C(=O)OCC1Cc1cncn1C" . "CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C" . "QCHFTSOMWOSFHM-WPRPVWTQSA-N" . "InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1" . "CCCCCSc1nsnc1C1=CCCN(C1)C" . "CCCCCSc1nsnc1C1=CCCN(C1)C" . "LRTWCQHCJKYNPS-UHFFFAOYSA-N" . "InChI=1S/C13H21N3S2/c1-3-4-5-9-17-13-12(14-18-15-13)11-7-6-8-16(2)10-11/h7H,3-6,8-10H2,1-2H3" . "O=C1CCCN1CC#CC[N+](C)(C)C" . "O=C1CCCN1CC#CC[N+](C)(C)C" . "CANZROMYQDHYHR-UHFFFAOYSA-N" . "InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1" . "O=C1CCCN1CC#CCN1CCCC1" . "O=C1CCCN1CC#CCN1CCCC1" . "RSDOPYMFZBJHRL-UHFFFAOYSA-N" . "InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2" . "C1CN2CCC1C(C2)c1nsnc1OCC#Cc1cccc(c1)C#CCOc1nsnc1C1CN2CCC1CC2" . "C1CN2CCC1C(C2)c1nsnc1OCC#Cc1cccc(c1)C#CCOc1nsnc1C1CN2CCC1CC2" . "TYLFZULSDOOCRC-UHFFFAOYSA-N" . "InChI=1S/C30H32N6O2S2/c1-4-21(6-2-16-37-29-27(31-39-33-29)25-19-35-12-8-23(25)9-13-35)18-22(5-1)7-3-17-38-30-28(32-40-34-30)26-20-36-14-10-24(26)11-15-36/h1,4-5,18,23-26H,8-17,19-20H2" . "C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccc(cc1)C#CCOc1nsnc1C1CN2CCC1CC2" . "C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccc(cc1)C#CCOc1nsnc1C1CN2CCC1CC2" . "ROEXPZFFOZZHOY-UHFFFAOYSA-N" . "InChI=1S/C30H32N6O2S2/c1(17-37-29-27(31-39-33-29)25-19-35-13-9-23(25)10-14-35)3-21-5-7-22(8-6-21)4-2-18-38-30-28(32-40-34-30)26-20-36-15-11-24(26)12-16-36/h5-8,23-26H,9-20H2" . "C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccccc1" . "C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccccc1" . "SNSMIIQEKVYNOH-UHFFFAOYSA-N" . "InChI=1S/C18H19N3OS/c1-2-5-14(6-3-1)7-4-12-22-18-17(19-23-20-18)16-13-21-10-8-15(16)9-11-21/h1-3,5-6,15-16H,8-13H2" . "O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-]" . "O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-]" . "CXFZFEJJLNLOTA-UHFFFAOYSA-N" . "InChI=1S/C14H17ClN2O2.ClH/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13;/h6-8,11H,9-10H2,1-3H3;1H" . "CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C" . "CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C" . "ANTKBACNWQHQJE-UHFFFAOYSA-N" . "InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3" . "CC(=O)OC1C[NH+]2CCC1CC2" . "CC(=O)O[C@H]1C[NH+]2CCC1CC2" . "WRJPSSPFHGNBMG-VIFPVBQESA-O" . "InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3/p+1/t9-/m0/s1" . "Fc1ccc(cc1)C(=O)C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2" . "Fc1ccc(cc1)C(=O)C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2" . "HXCNRYXBZNHDNE-UHFFFAOYSA-N" . "InChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3" . "CC(CC1C(=O)N2CCCC2C2(N1C(=O)C(O2)(NC(=O)C1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C" . "CC(CC1C(=O)N2CCCC2C2(N1C(=O)C(O2)(NC(=O)C1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C" . "PBUNVLRHZGSROC-UHFFFAOYSA-N" . "InChI=1S/C32H43N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38)" . "CC1CCN(CC1)CCC(N(S(=O)(=O)c1cccc(c1)C)C)C" . "CC1CCN(CC1)CC[C@H](N(S(=O)(=O)c1cccc(c1)C)C)C" . "AGVNHDNTFYHZNL-QGZVFWFLSA-N" . "InChI=1S/C18H30N2O2S/c1-15-8-11-20(12-9-15)13-10-17(3)19(4)23(21,22)18-7-5-6-16(2)14-18/h5-7,14-15,17H,8-13H2,1-4H3/t17-/m1/s1" . "COc1ccccc1N1CCNCC1" . "COc1ccccc1N1CCNCC1" . "VNZLQLYBRIOLFZ-UHFFFAOYSA-N" . "InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3" . "CN1CCN(CC1)C1=Nc2cc(F)ccc2Cc2c1cccc2" . "CN1CCN(CC1)C1=Nc2cc(F)ccc2Cc2c1cccc2" . "OBWGMKKHCLHVIE-UHFFFAOYSA-N" . "InChI=1S/C19H20FN3/c1-22-8-10-23(11-9-22)19-17-5-3-2-4-14(17)12-15-6-7-16(20)13-18(15)21-19/h2-7,13H,8-12H2,1H3" . "CN1CC(CC2C1Cc1c[nH]c3c1c2ccc3)C(=O)NC1(OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O)C(C)C" . "CN1CC(CC2C1Cc1c[nH]c3c1c2ccc3)C(=O)NC1(OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O)C(C)C" . "DEQITUUQPICUMR-UHFFFAOYSA-N" . "InChI=1S/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)" . "CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1" . "CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1" . "JJCFRYNCJDLXIK-UHFFFAOYSA-N" . "InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3" . "COc1ccc(cc1N1CCNCC1)NS(=O)(=O)c1sc2c(c1C)cc(cc2)Cl" . "COc1ccc(cc1N1CCNCC1)NS(=O)(=O)c1sc2c(c1C)cc(cc2)Cl" . "LOCQRDBFWSXQQI-UHFFFAOYSA-N" . "InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3" . "CNc1cc(cc(n1)NC)NS(=O)(=O)c1ccc(cc1)N" . "CNc1cc(cc(n1)NC)NS(=O)(=O)c1ccc(cc1)N" . "PTFNKZLSFWJYFJ-UHFFFAOYSA-N" . "InChI=1S/C13H17N5O2S/c1-15-12-7-10(8-13(16-2)17-12)18-21(19,20)11-5-3-9(14)4-6-11/h3-8H,14H2,1-2H3,(H3,15,16,17,18)" . "CNc1nc(NC)nc(c1)NS(=O)(=O)c1ccc(cc1)N" . "CNc1nc(NC)nc(c1)NS(=O)(=O)c1ccc(cc1)N" . "JELFWSXQTXRMAJ-UHFFFAOYSA-N" . "InChI=1S/C12H16N6O2S/c1-14-10-7-11(17-12(15-2)16-10)18-21(19,20)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H3,14,15,16,17,18)" . "CN(CCSc1nc2ccccc2cc1c1ccccc1)C" . "CN(CCSc1nc2ccccc2cc1c1ccccc1)C" . "HYOLQGVNMQNERE-UHFFFAOYSA-N" . "InChI=1S/C19H20N2S/c1-21(2)12-13-22-19-17(15-8-4-3-5-9-15)14-16-10-6-7-11-18(16)20-19/h3-11,14H,12-13H2,1-2H3" . "CCN(C(=O)C1CN(C)C2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)CC" . "CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)CC" . "VKRAXSZEDRWLAG-SJKOYZFVSA-N" . "InChI=1S/C20H24BrN3O/c1-4-24(5-2)20(25)12-9-14-13-7-6-8-16-18(13)15(19(21)22-16)10-17(14)23(3)11-12/h6-9,12,17,22H,4-5,10-11H2,1-3H3/t12-,17-/m1/s1" . "CC(CC1C(=O)N2CCCC2C2(N1C(=O)C(O2)(NC(=O)C1CN(C)C2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C" . "CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C" . "YDOTUXAWKBPQJW-NSLWYYNWSA-N" . "InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24-,25+,26+,31-,32+/m1/s1" . "N#CCC1CN(C)C2C(C1)c1cccc3c1c(C2)c([nH]3)Cl" . "N#CC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c([nH]3)Cl" . "JKAHWGPTNVUTNB-IXPVHAAZSA-N" . "InChI=1S/C17H18ClN3/c1-21-9-10(5-6-19)7-12-11-3-2-4-14-16(11)13(8-15(12)21)17(18)20-14/h2-4,10,12,15,20H,5,7-9H2,1H3/t10-,12-,15-/m1/s1" . "Cc1cccc(c1C)N1CCN(CC1)CCCOc1ccc2c(c1)[nH]c(=O)cc2" . "Cc1cccc(c1C)N1CCN(CC1)CCCOc1ccc2c(c1)[nH]c(=O)cc2" . "RRLWEQBPSAFVAS-UHFFFAOYSA-N" . "InChI=1S/C24H29N3O2/c1-18-5-3-6-23(19(18)2)27-14-12-26(13-15-27)11-4-16-29-21-9-7-20-8-10-24(28)25-22(20)17-21/h3,5-10,17H,4,11-16H2,1-2H3,(H,25,28)" . "O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1ccc(c(c1Cl)Cl)O" . "O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1ccc(c(c1Cl)Cl)O" . "YZIVLADPQQPFLO-UHFFFAOYSA-N" . "InChI=1S/C23H27Cl2N3O3/c24-22-19(6-7-20(29)23(22)25)28-12-10-27(11-13-28)9-1-2-14-31-17-5-3-16-4-8-21(30)26-18(16)15-17/h3,5-7,15,29H,1-2,4,8-14H2,(H,26,30)" . "CCc1[nH]c2c(c1CCN(C)C)cc(cc2)OC" . "CCc1[nH]c2c(c1CCN(C)C)cc(cc2)OC" . "ZEYRDXUWJDGTLD-UHFFFAOYSA-N" . "InChI=1S/C15H22N2O/c1-5-14-12(8-9-17(2)3)13-10-11(18-4)6-7-15(13)16-14/h6-7,10,16H,5,8-9H2,1-4H3" . "CN(CCN(C(=O)CCC1CCCC1)Cc1ccc(cc1)c1ccc(cc1)CNCCc1ccccc1)C" . "CN(CCN(C(=O)CCC1CCCC1)Cc1ccc(cc1)c1ccc(cc1)CNCCc1ccccc1)C" . "SEQAMPXQRKYYQF-UHFFFAOYSA-N" . "InChI=1S/C34H45N3O/c1-36(2)24-25-37(34(38)21-16-28-10-6-7-11-28)27-31-14-19-33(20-15-31)32-17-12-30(13-18-32)26-35-23-22-29-8-4-3-5-9-29/h3-5,8-9,12-15,17-20,28,35H,6-7,10-11,16,21-27H2,1-2H3" . "NCCc1c[nH]c2c1cc(cc2)C(=O)N" . "NC(=O)c1ccc2c(c1)c(c[nH]2)C(C(N)([3H])[3H])([3H])[3H]" . "WKZLNEWVIAGNAW-DOMYTETQSA-N" . "InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)/i3T2,4T2" . "CCN(C(=O)C1CN(C)C2C(=C1)c1cccc3c1c(C2)c([nH]3)I)CC" . "CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)[125I])CC" . "OBCUQRYIGTWROI-YUPRZBKSSA-N" . "InChI=1S/C20H24IN3O/c1-4-24(5-2)20(25)12-9-14-13-7-6-8-16-18(13)15(19(21)22-16)10-17(14)23(3)11-12/h6-9,12,17,22H,4-5,10-11H2,1-3H3/t12-,17-/m1/s1/i21-2" . "CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2c1cccc2" . "CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2" . "ZNRGQMMCGHDTEI-ITGUQSILSA-N" . "InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+" . "O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C" . "O=C(c1cn(c2c1cccc2)C([3H])([3H])[3H])OCC1CCN(CC1)CCNS(=O)(=O)C" . "MOZPSIXKYJUTKI-RLXJOQACSA-N" . "InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3/i1T3" . "CCN(CCOC(=O)c1cc(Cl)c(cc1OC)N)CC" . "CCN(CCOC(=O)c1cc(Cl)c(cc1OC)N)CC" . "FFNWMBDISAYHDC-UHFFFAOYSA-N" . "InChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3" . "CCCCN1CCC(CC1)COC(=O)c1cc(I)c(c2c1OCCO2)N" . "CCCCN1CCC(CC1)COC(=O)c1cc(I)c(c2c1OCCO2)N" . "FCKKCDRMGKXQDK-UHFFFAOYSA-N" . "InChI=1S/C19H27IN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3" . "CCCCN1CCC(CC1)COC(=O)c1cc(Cl)c(c2c1OCCO2)N" . "CCCCN1CCC(CC1)COC(=O)c1cc(Cl)c(c2c1OCCO2)N" . "AOOSJYIINXVNHV-UHFFFAOYSA-N" . "InChI=1S/C19H27ClN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3" . "O=C(c1c[nH]c2c1cccc2)OCCN1CCCCC1" . "O=C(c1c[nH]c2c1cccc2)OCCN1CCCCC1" . "YGKPIROTKVQCCU-UHFFFAOYSA-N" . "InChI=1S/C16H20N2O2/c19-16(20-11-10-18-8-4-1-5-9-18)14-12-17-15-7-3-2-6-13(14)15/h2-3,6-7,12,17H,1,4-5,8-11H2" . "COc1cc(N)c(cc1C(=O)OCCCN1CCCCC1)Cl" . "COc1cc(N)c(cc1C(=O)OCCCN1CCCCC1)Cl" . "RLSGBCUXLRMTPF-UHFFFAOYSA-N" . "InChI=1S/C16H23ClN2O3/c1-21-15-11-14(18)13(17)10-12(15)16(20)22-9-5-8-19-6-3-2-4-7-19/h10-11H,2-9,18H2,1H3" . "CCCCN1CCC(CC1)CNC(=O)c1cccc2c1OCCO2" . "CCCCN1CCC(CC1)CNC(=O)c1cccc2c1OCCO2" . "VBFBEYXWJLASJA-UHFFFAOYSA-N" . "InChI=1S/C19H28N2O3/c1-2-3-9-21-10-7-15(8-11-21)14-20-19(22)16-5-4-6-17-18(16)24-13-12-23-17/h4-6,15H,2-3,7-14H2,1H3,(H,20,22)" . "CCCCN1CCC(CC1)COC(=O)c1cccc2c1OCCO2" . "CCCCN1CCC(CC1)COC(=O)c1cccc2c1OCCO2" . "YGXXLNHVBNARBP-UHFFFAOYSA-N" . "InChI=1S/C19H27NO4/c1-2-3-9-20-10-7-15(8-11-20)14-24-19(21)16-5-4-6-17-18(16)23-13-12-22-17/h4-6,15H,2-3,7-14H2,1H3" . "COc1cc(CCCN2CCC(CC2)CCC(=O)c2cc(Cl)c(c3c2OCCO3)N)ccc1OC" . "COc1cc(CCCN2CCC(CC2)CCC(=O)c2cc(Cl)c(c3c2OCCO3)N)ccc1OC" . "UVOCSZKGWJOKNN-UHFFFAOYSA-N" . "InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3" . "COc1cc(N)c(cc1C(=O)OCCN1CC(C)CC(C1)C)Cl" . "COc1cc(N)c(cc1C(=O)OCCN1CC(C)CC(C1)C)Cl" . "BUEFUOFMOXJXAR-UHFFFAOYSA-N" . "InChI=1S/C17H25ClN2O3/c1-11-6-12(2)10-20(9-11)4-5-23-17(21)13-7-14(18)15(19)8-16(13)22-3/h7-8,11-12H,4-6,9-10,19H2,1-3H3" . "COc1[nH]c2c(c1C(=O)OCC1CCN(CC1)CCNS(=O)(=O)C)cc(cc2)F" . "COc1[nH]c2c(c1C(=O)OCC1CCN(CC1)CCNS(=O)(=O)C)cc(cc2)F" . "SSPCCAYAIDNNJX-UHFFFAOYSA-N" . "InChI=1S/C19H26FN3O5S/c1-27-18-17(15-11-14(20)3-4-16(15)22-18)19(24)28-12-13-5-8-23(9-6-13)10-7-21-29(2,25)26/h3-4,11,13,21-22H,5-10,12H2,1-2H3" . "O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C" . "O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C" . "MOZPSIXKYJUTKI-UHFFFAOYSA-N" . "InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3" . "COc1ccc2c(c1)n(C(=O)OC1CC3CCC(C1)N3C)c(=O)[nH]2" . "COc1ccc2c(c1)n(C(=O)OC1CC3CCC(C1)N3C)c(=O)[nH]2" . "HKBNGEJJECJLOW-UHFFFAOYSA-N" . "InChI=1S/C17H21N3O4/c1-19-10-3-4-11(19)8-13(7-10)24-17(22)20-15-9-12(23-2)5-6-14(15)18-16(20)21/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,18,21)" . "COc1cc(N)c(cc1C(=O)NC1CN2CCC1CC2)Cl" . "COc1cc(N)c(cc1C(=O)NC1CN2CCC1CC2)Cl" . "FEROPKNOYKURCJ-UHFFFAOYSA-N" . "InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)" . "COc1cc(N)c(cc1C(=O)NC1CCN2CC1CCC2)Cl" . "COc1cc(N)c(cc1C(=O)N[C@H]1CCN2C[C@@H]1CCC2)Cl" . "GZSKEXSLDPEFPT-HZMBPMFUSA-N" . "InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-14-4-6-20-5-2-3-10(14)9-20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14-/m0/s1" . "COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N" . "COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N" . "ZPMNHBXQOOVQJL-UHFFFAOYSA-N" . "InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)" . "CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl" . "CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl" . "YPELFRMCRYSPKZ-UHFFFAOYSA-N" . "InChI=1S/C21H25ClFN3O3/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27)" . "CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC" . "CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC" . "TTWJBBZEZQICBI-UHFFFAOYSA-N" . "InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)" . "COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N" . "COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N" . "DCSUBABJRXZOMT-UHFFFAOYSA-N" . "InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)" . "COc1cc(N)c(cc1C(=O)OCC1CCN(CC1)CCCc1ccc2c(c1)OCCO2)Cl" . "COc1cc(N)c(cc1C(=O)OCC1CCN(CC1)CCCc1ccc2c(c1)OCCO2)Cl" . "AJVNZBQUOHOEQO-UHFFFAOYSA-N" . "InChI=1S/C25H31ClN2O5/c1-30-23-15-21(27)20(26)14-19(23)25(29)33-16-18-6-9-28(10-7-18)8-2-3-17-4-5-22-24(13-17)32-12-11-31-22/h4-5,13-15,18H,2-3,6-12,16,27H2,1H3" . "COc1cc(N)c(cc1C(=O)NCC1CCN2C1CCC2)Cl" . "COc1cc(N)c(cc1C(=O)NC[C@@H]1CCN2[C@H]1CCC2)Cl" . "GAYSOZKZPOVDSB-HZMBPMFUSA-N" . "InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-9-10-4-6-20-5-2-3-14(10)20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14-/m0/s1" . "CCCCN1CCC(CC1)CCC(=O)c1cc(Cl)c(cc1OC)N" . "CCCCN1CCC(CC1)CCC(=O)c1cc(Cl)c(cc1OC)N" . "JBHLYIVFFLNISJ-UHFFFAOYSA-N" . "InChI=1S/C19H29ClN2O2/c1-3-4-9-22-10-7-14(8-11-22)5-6-18(23)15-12-16(20)17(21)13-19(15)24-2/h12-14H,3-11,21H2,1-2H3" . "COc1cc(N)c(cc1C(=O)OCC1CCN(CC1)CCCc1ccc2c(c1)OCCO2)Cl" . "COc1cc(N)c(cc1C(=O)OCC1CCN(CC1)CCCc1ccc2c(c1)OCCO2)Cl" . "AJVNZBQUOHOEQO-UHFFFAOYSA-N" . "InChI=1S/C25H31ClN2O5/c1-30-23-15-21(27)20(26)14-19(23)25(29)33-16-18-6-9-28(10-7-18)8-2-3-17-4-5-22-24(13-17)32-12-11-31-22/h4-5,13-15,18H,2-3,6-12,16,27H2,1H3" . "COc1cc(N)c(cc1C(=O)OCCN1CCCCC1)Cl" . "COc1cc(N)c(cc1C(=O)OCCN1CCCCC1)Cl" . "RVFIAQAAZUEPPE-UHFFFAOYSA-N" . "InChI=1S/C15H21ClN2O3/c1-20-14-10-13(17)12(16)9-11(14)15(19)21-8-7-18-5-3-2-4-6-18/h9-10H,2-8,17H2,1H3" . "CN1C2CCC1CC(C2)NC(=O)n1c(=O)n(c2c1cccc2)C(C)C" . "CN1[C@@H]2CC[C@H]1CC(C2)NC(=O)n1c(=O)n(c2c1cccc2)C(C)C" . "AFOFVIBWSLOHFR-GOOCMWNKSA-N" . "InChI=1S/C19H26N4O2/c1-12(2)22-16-6-4-5-7-17(16)23(19(22)25)18(24)20-13-10-14-8-9-15(11-13)21(14)3/h4-7,12-15H,8-11H2,1-3H3,(H,20,24)/t13?,14-,15+" . "CCn1c(=O)n(c2c1cccc2)C(=O)NC1CC2CCC(C1)N2C" . "CCn1c(=O)n(c2c1cccc2)C(=O)NC1CC2CC[C@@H](C1)N2C" . "MZRKHUUDDHJVHS-MOKVOYLWSA-N" . "InChI=1S/C18H24N4O2/c1-3-21-15-6-4-5-7-16(15)22(18(21)24)17(23)19-12-10-13-8-9-14(11-12)20(13)2/h4-7,12-14H,3,8-11H2,1-2H3,(H,19,23)/t12?,13-,14?/m0/s1" . "CN1CC(CC2C1Cc1cn(c3c1c2ccc3)C)CS(=O)(=O)N(C)C" . "CN1CC(CC2C1Cc1cn(c3c1c2ccc3)C)CS(=O)(=O)N(C)C" . "WYCMFCPHWDZHMR-UHFFFAOYSA-N" . "InChI=1S/C19H27N3O2S/c1-20(2)25(23,24)12-13-8-16-15-6-5-7-17-19(15)14(11-22(17)4)9-18(16)21(3)10-13/h5-7,11,13,16,18H,8-10,12H2,1-4H3" . "NC(=NN=Cc1cccc(c1)OCc1ccc(cc1)C(=O)c1ccccc1)N" . "NC(=N/N=C/c1cccc(c1)OCc1ccc(cc1)C(=O)c1ccccc1)N" . "ROCDIHAUKUGXMY-AFUMVMLFSA-N" . "InChI=1S/C22H20N4O2/c23-22(24)26-25-14-17-5-4-8-20(13-17)28-15-16-9-11-19(12-10-16)21(27)18-6-2-1-3-7-18/h1-14H,15H2,(H4,23,24,26)/b25-14+" . "CCc1oc2c(c1)c1c(cc2)cnn1CC(N)C" . "CCc1oc2c(c1)c1c(cc2)cnn1C[C@@H](N)C" . "QLOOWOVVZLBYHU-VIFPVBQESA-N" . "InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m0/s1" . "C1CC2C(C1)c1c3N2CCNCc3ccc1" . "C1C[C@@H]2[C@H](C1)c1c3N2CCNCc3ccc1" . "XOSKJKGKWRIMGV-DGCLKSJQSA-N" . "InChI=1S/C14H18N2/c1-3-10-9-15-7-8-16-13-6-2-4-11(13)12(5-1)14(10)16/h1,3,5,11,13,15H,2,4,6-9H2/t11-,13-/m1/s1" . "CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N" . "CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N" . "IKBKZGMPCYNSLU-RGVLZGJSSA-N" . "InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)/b20-11+" . "CCCCN1CCC(CC1)CNC(=O)c1c2OCCCn2c2c1cccc2" . "CCCCN1CCC(CC1)CNC(=O)c1c2OCCCn2c2c1cccc2" . "KVCSJPATKXABRQ-UHFFFAOYSA-N" . "InChI=1S/C22H31N3O2/c1-2-3-11-24-13-9-17(10-14-24)16-23-21(26)20-18-7-4-5-8-19(18)25-12-6-15-27-22(20)25/h4-5,7-8,17H,2-3,6,9-16H2,1H3,(H,23,26)" . "COC(=O)C1C(O)CCC2C1CC1N(C2)CCc2c1[nH]c1c2cccc1" . "COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1" . "BLGXFZZNTVWLAY-DIRVCLHFSA-N" . "InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17+,18+,19+/m1/s1" . "O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C" . "O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C" . "USFUFHFQWXDVMH-UHFFFAOYSA-N" . "InChI=1S/C14H14N4OS/c1-9-7-13(20-17-9)16-14(19)15-11-3-4-12-10(8-11)5-6-18(12)2/h3-8H,1-2H3,(H2,15,16,19)" . "CCN(C(=O)C1CN(C)C2C(=C1)c1cccc3c1c(C2)c[nH]3)CC" . "CCN(C(=O)[C@H]1CN([C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C([3H])([3H])[3H])CC" . "VAYOSLLFUXYJDT-QZGBZKRISA-N" . "InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1/i3T3" . "Cc1c(CCN)c2c([nH]1)ccc(c2)O" . "Cc1c(CCN)c2c([nH]1)ccc(c2)O" . "WYWNEDARFVJQSG-UHFFFAOYSA-N" . "InChI=1S/C11H14N2O/c1-7-9(4-5-12)10-6-8(14)2-3-11(10)13-7/h2-3,6,13-14H,4-5,12H2,1H3" . "CC(Cc1cccc(c1)C(F)(F)F)N" . "C[C@H](Cc1cccc(c1)C(F)(F)F)N" . "MLBHFBKZUPLWBD-SSDOTTSWSA-N" . "InChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3/t7-/m1/s1" . "CC(Cc1cccc(c1)C(F)(F)F)N" . "C[C@@H](Cc1cccc(c1)C(F)(F)F)N" . "MLBHFBKZUPLWBD-ZETCQYMHSA-N" . "InChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3/t7-/m0/s1" . "CC(Cc1cccc(c1)C(F)(F)F)N" . "CC(Cc1cccc(c1)C(F)(F)F)N" . "MLBHFBKZUPLWBD-UHFFFAOYSA-N" . "InChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3" . "CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F" . "CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F" . "ZEWQUBUPAILYHI-UHFFFAOYSA-N" . "InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3" . "Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2" . "Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2" . "PHLBKPHSAVXXEF-UHFFFAOYSA-N" . "InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2" . "CN1CCN(CC1)CCC=C1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C" . "CN1CCN(CC1)CC/C=C/1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C" . "GFBKORZTTCHDGY-UWVJOHFNSA-N" . "InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8-" . "COC1CCC(CC1)OC(=O)C1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C(C)C" . "CO[C@@H]1CC[C@H](CC1)OC(=O)[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C" . "RJBJIKXTJIZONR-HSWWXKJFSA-N" . "InChI=1S/C26H36N2O3/c1-16(2)28-15-17-13-24-22(21-6-5-7-23(28)25(17)21)12-18(14-27(24)3)26(29)31-20-10-8-19(30-4)9-11-20/h5-7,15-16,18-20,22,24H,8-14H2,1-4H3/t18-,19-,20-,22-,24-/m1/s1" . "COc1cccc(c1)CCc1ccccc1OCC(OC(=O)CCC(=O)O)CN(C)C" . "COc1cccc(c1)CCc1ccccc1OCC(OC(=O)CCC(=O)O)CN(C)C" . "FFYNAVGJSYHHFO-UHFFFAOYSA-N" . "InChI=1S/C24H31NO6/c1-25(2)16-21(31-24(28)14-13-23(26)27)17-30-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)29-3/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,26,27)" . "OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2" . "OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2" . "RGCVKNLCSQQDEP-UHFFFAOYSA-N" . "InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2" . "NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F" . "NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F" . "WIQRCHMSJFFONW-UHFFFAOYSA-N" . "InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2" . "CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1" . "CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1" . "KLPWJLBORRMFGK-UHFFFAOYSA-N" . "InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3" . "CN1CC(CC2C1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C" . "CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C" . "JLVHTNZNKOSCNB-YSVLISHTSA-N" . "InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1" . "CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2" . "CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2" . "XJGVXQDUIWGIRW-UHFFFAOYSA-N" . "InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3" . "OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F" . "OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F" . "PLDUPXSUYLZYBN-UHFFFAOYSA-N" . "InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2" . "CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F" . "CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F" . "RTHCYVBBDHJXIQ-UHFFFAOYSA-N" . "InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3" . "CN(CCC=C1c2ccccc2CCc2c1cccc2)C" . "CN(CCC=C1c2ccccc2CCc2c1cccc2)C" . "KRMDCWKBEZIMAB-UHFFFAOYSA-N" . "InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3" . "O=C(C1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1" . "O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1" . "KEMOOQHMCGCZKH-JMUQELJHSA-N" . "InChI=1S/C25H35N3O/c1-16(2)28-15-17-13-23-21(20-10-7-11-22(28)24(17)20)12-18(14-27(23)3)25(29)26-19-8-5-4-6-9-19/h7,10-11,15-16,18-19,21,23H,4-6,8-9,12-14H2,1-3H3,(H,26,29)/t18-,21-,23-/m1/s1" . "COc1ccc2c(c1)c(CCNC(=O)C)ccc2" . "COc1ccc2c(c1)c(CCNC(=O)C)ccc2" . "YJYPHIXNFHFHND-UHFFFAOYSA-N" . "InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)" . "Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2" . "Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2" . "FPCCSQOGAWCVBH-UHFFFAOYSA-N" . "InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)" . "Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(C2=O)C)c1ccccc1" . "Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(C2=O)C)c1ccccc1" . "QHJLPOSPWKZACG-UHFFFAOYSA-N" . "InChI=1S/C24H28FN3O2/c1-26-18-28(21-6-3-2-4-7-21)24(23(26)30)13-16-27(17-14-24)15-5-8-22(29)19-9-11-20(25)12-10-19/h2-4,6-7,9-12H,5,8,13-18H2,1H3" . "CN1CCC2C(C1)c1cccc3c1N(C2)CC3" . "CN1CC[C@H]2[C@@H](C1)c1cccc3c1N(C2)CC3" . "YASBOGFWAMXINH-TZMCWYRMSA-N" . "InChI=1S/C15H20N2/c1-16-7-5-12-9-17-8-6-11-3-2-4-13(15(11)17)14(12)10-16/h2-4,12,14H,5-10H2,1H3/t12-,14-/m1/s1" . "O=C(N1CCc2c1cc(c(c2)C)C(F)(F)F)Nc1ccc(nc1)Oc1cccnc1C" . "O=C(N1CCc2c1cc(c(c2)C)C(F)(F)F)Nc1ccc(nc1)Oc1cccnc1C" . "ZETBBVYSBABLHL-UHFFFAOYSA-N" . "InChI=1S/C22H19F3N4O2/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30)" . "O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C" . "O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C" . "GIUZEIJUFOPTMR-UHFFFAOYSA-N" . "InChI=1S/C21H19ClN4O2/c1-13-10-15-7-9-26(18(15)11-17(13)22)21(27)25-16-5-6-20(24-12-16)28-19-4-3-8-23-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,25,27)" . "COc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cc(F)cc(c1)c1cccnc1" . "COc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cc(F)cc(c1)c1cccnc1" . "RRJLJKRFFRZRAF-UHFFFAOYSA-N" . "InChI=1S/C22H17F4N3O2/c1-31-20-9-13-4-6-29(19(13)11-18(20)22(24,25)26)21(30)28-17-8-15(7-16(23)10-17)14-3-2-5-27-12-14/h2-3,5,7-12H,4,6H2,1H3,(H,28,30)" . "CSc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cccnc1" . "CSc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cccnc1" . "OQZOXHCRSXYSPM-UHFFFAOYSA-N" . "InChI=1S/C16H14F3N3OS/c1-24-14-7-10-4-6-22(13(10)8-12(14)16(17,18)19)15(23)21-11-3-2-5-20-9-11/h2-3,5,7-9H,4,6H2,1H3,(H,21,23)" . "O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1cccc2c1cccn2" . "O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1cccc2c1cccn2" . "HOVMHIRTZYQSKM-UHFFFAOYSA-N" . "InChI=1S/C19H16ClN3O/c1-12-10-13-7-9-23(18(13)11-15(12)20)19(24)22-17-6-2-5-16-14(17)4-3-8-21-16/h2-6,8,10-11H,7,9H2,1H3,(H,22,24)" . "O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1" . "O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1" . "QJQORSLQNXDVGE-UHFFFAOYSA-N" . "InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)" . "Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C" . "Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C" . "ZZZQXCUPAJFVBN-UHFFFAOYSA-N" . "InChI=1S/C17H16FN3/c1-10(2)15-9-16(21-17(19)20-15)13-7-8-14(18)12-6-4-3-5-11(12)13/h3-10H,1-2H3,(H2,19,20,21)" . "COc1cc(OC)c(cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O)NS(=O)(=O)c1ccc(cc1)C(F)(F)F" . "COc1cc(OC)c(cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O)NS(=O)(=O)c1ccc(cc1)C(F)(F)F" . "HZZZZODVDSHQRG-UHFFFAOYSA-N" . "InChI=1S/C27H31F3N4O7S/c1-40-22-16-23(41-2)20(33-42(38,39)18-8-6-17(7-9-18)27(28,29)30)15-19(22)21(35)5-3-4-12-34-13-10-26(11-14-34)24(36)31-25(37)32-26/h6-9,15-16,33H,3-5,10-14H2,1-2H3,(H2,31,32,36,37)" . "OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1" . "OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1" . "AXNGJCOYCMDPQG-UHFFFAOYSA-N" . "InChI=1S/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2" . "COc1cccc(c1OC)C(C1CCN(CC1)CCc1ccc(cc1)F)O" . "COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O" . "HXTGXYRHXAGCFP-OAQYLSRUSA-N" . "InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1" . "CC(C(OC(=O)C1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3)C)O" . "CC(C(OC(=O)C1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3)C)O" . "GOHDSZGHAHFEHG-UHFFFAOYSA-N" . "InChI=1S/C20H26N2O3/c1-11(23)12(2)25-20(24)14-7-16-15-5-4-6-17-19(15)13(9-21-17)8-18(16)22(3)10-14/h4-6,9,11-12,14,16,18,21,23H,7-8,10H2,1-3H3" . "O=c1ccc2c([nH]1)c(c[nH]2)C1=CCNCC1" . "O=c1ccc2c([nH]1)c(c[nH]2)C1=CCNCC1" . "PJYVGMRFPFNZCT-UHFFFAOYSA-N" . "InChI=1S/C12H13N3O/c16-11-2-1-10-12(15-11)9(7-14-10)8-3-5-13-6-4-8/h1-3,7,13-14H,4-6H2,(H,15,16)" . "CC(C(O)C)OC(=O)C1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C(C)C" . "CC(C(O)C)OC(=O)[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C" . "JQYLIGHHVGCTPR-LYRPIDSHSA-N" . "InChI=1S/C23H32N2O3/c1-13(2)25-12-16-10-21-19(18-7-6-8-20(25)22(16)18)9-17(11-24(21)5)23(27)28-15(4)14(3)26/h6-8,12-15,17,19,21,26H,9-11H2,1-5H3/t14?,15?,17-,19-,21-/m1/s1" . "CCCc1c(COc2ccc(cc2)C=NN=C(N)N)ccc(c1O)C(=O)CC" . "CCCc1c(COc2ccc(cc2)/C=N/N=C(N)N)ccc(c1O)C(=O)CC" . "TUJFUBGJRSXFHG-WYMPLXKRSA-N" . "InChI=1S/C21H26N4O3/c1-3-5-17-15(8-11-18(20(17)27)19(26)4-2)13-28-16-9-6-14(7-10-16)12-24-25-21(22)23/h6-12,27H,3-5,13H2,1-2H3,(H4,22,23,25)/b24-12+" . "CCCc1c(COc2ccc(cc2)C=NN=C(N)N)ccc(c1O)C(=O)C" . "CCCc1c(COc2ccc(cc2)/C=N/N=C(N)N)ccc(c1O)C(=O)C" . "TUXHQPAMNGTVLT-FOKLQQMPSA-N" . "InChI=1S/C20H24N4O3/c1-3-4-18-15(7-10-17(13(2)25)19(18)26)12-27-16-8-5-14(6-9-16)11-23-24-20(21)22/h5-11,26H,3-4,12H2,1-2H3,(H4,21,22,24)/b23-11+" . "CN1CC(CC2C1Cc1cn(c3c1c2ccc3)C(C)C)C(=O)NC1CCCC1O" . "CN1C[C@@H](CC2[C@H]1Cc1cn(c3c1c2ccc3)C(C)C)C(=O)N[C@H]1CCC[C@H]1O" . "IMSDOBUYDTVEHN-LUKLFJNJSA-N" . "InChI=1S/C24H33N3O2/c1-14(2)27-13-15-11-21-18(17-6-4-8-20(27)23(15)17)10-16(12-26(21)3)24(29)25-19-7-5-9-22(19)28/h4,6,8,13-14,16,18-19,21-22,28H,5,7,9-12H2,1-3H3,(H,25,29)/t16-,18?,19+,21-,22-/m1/s1" . "CC(C(OC(=O)C1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C)C)O" . "CC(C(OC(=O)C1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C)C)O" . "YLCYDARNSJPGCV-UHFFFAOYSA-N" . "InChI=1S/C21H28N2O3/c1-12(24)13(2)26-21(25)15-8-17-16-6-5-7-18-20(16)14(10-22(18)3)9-19(17)23(4)11-15/h5-7,10,12-13,15,17,19,24H,8-9,11H2,1-4H3" . "NC(=N)NN=C(c1ccc(s1)Cl)c1ccccc1" . "NC(=N)N/N=C(/c1ccc(s1)Cl)/c1ccccc1" . "LXZSGGMOFNDLPW-WJDWOHSUSA-N" . "InChI=1S/C12H11ClN4S/c13-10-7-6-9(18-10)11(16-17-12(14)15)8-4-2-1-3-5-8/h1-7H,(H4,14,15,17)/b16-11-" . "Clc1ccc(cc1)C1(O)CCN(CC1)Cc1c[nH]c2c1cccc2" . "Clc1ccc(cc1)C1(O)CCN(CC1)Cc1c[nH]c2c1cccc2" . "LLBLNMUONVVVPG-UHFFFAOYSA-N" . "InChI=1S/C20H21ClN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2" . "Nc1cc(N2CCN(CC2)Cc2ccccc2)c(cc1C)[N+](=O)[O-]" . "Nc1cc(N2CCN(CC2)Cc2ccccc2)c(cc1C)[N+](=O)[O-]" . "ZEFXWOMFCPRXJW-UHFFFAOYSA-N" . "InChI=1S/C18H22N4O2/c1-14-11-18(22(23)24)17(12-16(14)19)21-9-7-20(8-10-21)13-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13,19H2,1H3" . "Fc1ccc(cc1)OCCCN1CCC2(CC1)C(=O)NCN2c1ccccc1" . "Fc1ccc(cc1)OCCCN1CCC2(CC1)C(=O)NCN2c1ccccc1" . "FJUKDAZEABGEIH-UHFFFAOYSA-N" . "InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)" . "COc1ccc(cc1)CC(=O)N(C1CCN(CC1)C)Cc1ccc(cc1)C" . "COc1ccc(cc1)CC(=O)N(C1CCN(CC1)C)Cc1ccc(cc1)C" . "AHGNJBSTWQOSAB-UHFFFAOYSA-N" . "InChI=1S/C23H30N2O2/c1-18-4-6-20(7-5-18)17-25(21-12-14-24(2)15-13-21)23(26)16-19-8-10-22(27-3)11-9-19/h4-11,21H,12-17H2,1-3H3" . "N1CCN(CC1)c1ccc2c(n1)cccc2" . "N1CCN(CC1)c1ccc2c(n1)cccc2" . "XRXDAJYKGWNHTQ-UHFFFAOYSA-N" . "InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2" . "COc1ccc2c(c1OC1CNCC1)CCC2" . "COc1ccc2c(c1O[C@@H]1CNCC1)CCC2" . "QDJAYXYEXHVXJV-NSHDSACASA-N" . "InChI=1S/C14H19NO2/c1-16-13-6-5-10-3-2-4-12(10)14(13)17-11-7-8-15-9-11/h5-6,11,15H,2-4,7-9H2,1H3/t11-/m0/s1" . "FC(c1ccc(nc1Cl)N1CCNCC1)(F)F" . "FC(c1ccc(nc1Cl)N1CCNCC1)(F)F" . "QZYYPQAYSFBKPW-UHFFFAOYSA-N" . "InChI=1S/C10H11ClF3N3/c11-9-7(10(12,13)14)1-2-8(16-9)17-5-3-15-4-6-17/h1-2,15H,3-6H2" . "COc1cc(I)c(cc1CC(N)C)OC" . "COc1cc([125I])c(cc1CC(N)C)OC" . "BGMZUEKZENQUJY-DACUFJSSSA-N" . "InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/i12-2" . "CC(CN1CCc2c1cc(Br)cc2)N" . "C[C@@H](CN1CCc2c1cc(Br)cc2)N" . "QGRQJMXAQYGAKK-QMMMGPOBSA-N" . "InChI=1S/C11H15BrN2/c1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14/h2-3,6,8H,4-5,7,13H2,1H3/t8-/m0/s1" . "Fc1ccc(cc1)C(=O)CC1CCN(C1)CCOc1cccc2c1OCCO2" . "Fc1ccc(cc1)C(=O)CC1CCN(C1)CCOc1cccc2c1OCCO2" . "DXBFVLGYPFUTEZ-UHFFFAOYSA-N" . "InChI=1S/C22H24FNO4/c23-18-6-4-17(5-7-18)19(25)14-16-8-9-24(15-16)10-11-26-20-2-1-3-21-22(20)28-13-12-27-21/h1-7,16H,8-15H2" . "CC(Cn1ccc2c1cc(Cl)c(c2)F)N" . "C[C@@H](Cn1ccc2c1cc(Cl)c(c2)F)N" . "XJJZQXUGLLXTHO-ZETCQYMHSA-N" . "InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1" . "Clc1cncc(n1)N1CCNCC1" . "Clc1cncc(n1)N1CCNCC1" . "CJAWPFJGFFNXQI-UHFFFAOYSA-N" . "InChI=1S/C8H11ClN4/c9-7-5-11-6-8(12-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2" . "COc1cc(C)c(cc1CC(N)C)OC" . "COc1cc(C)c(cc1CC(N)C)OC" . "NTJQREUGJKIARY-UHFFFAOYSA-N" . "InChI=1S/C12H19NO2/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3/h5,7,9H,6,13H2,1-4H3" . "COc1cc(Br)c(cc1CC(N)C)OC" . "COc1cc(Br)c(cc1CC(N)C)OC" . "FXMWUTGUCAKGQL-UHFFFAOYSA-N" . "InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3" . "CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N" . "CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N" . "ALFGDCNSEBJYSP-UHFFFAOYSA-N" . "InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3" . "CC(Cc1c[nH]c2c1c1CCCOc1cc2)N" . "C[C@@H](Cc1c[nH]c2c1c1CCCOc1cc2)N" . "VVHJUSGIUWQPIT-VIFPVBQESA-N" . "InChI=1S/C14H18N2O/c1-9(15)7-10-8-16-12-4-5-13-11(14(10)12)3-2-6-17-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3/t9-/m0/s1" . "NCCc1cn(c2c1cccc2)C(C)C" . "NCCc1cn(c2c1cccc2)C(C)C" . "ARHHZLRATAUACE-UHFFFAOYSA-N" . "InChI=1S/C13H18N2/c1-10(2)15-9-11(7-8-14)12-5-3-4-6-13(12)15/h3-6,9-10H,7-8,14H2,1-2H3" . "NCCc1cn(c2c1cc(OC)cc2)C(C)C" . "NCCc1cn(c2c1cc(OC)cc2)C(C)C" . "WFNIDMQOBQYSBC-UHFFFAOYSA-N" . "InChI=1S/C14H20N2O/c1-10(2)16-9-11(6-7-15)13-8-12(17-3)4-5-14(13)16/h4-5,8-10H,6-7,15H2,1-3H3" . "COc1cc(I)c(cc1CC(N)C)OC" . "COc1cc(I)c(cc1C[C@H](N)C)OC" . "BGMZUEKZENQUJY-SSDOTTSWSA-N" . "InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1" . "COc1cc(Br)c(cc1CC(N)C)OC" . "COc1cc(Br)c(cc1CC(N)C)OC" . "FXMWUTGUCAKGQL-UHFFFAOYSA-N" . "InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3" . "CCN(C(=O)C1CN(C)C2C(=C1)c1cccc3c1c(C2)c[nH]3)CC" . "CCN(C(=O)[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC" . "VAYOSLLFUXYJDT-KBXCAEBGSA-N" . "InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18+/m0/s1" . "COc1cc(I)c(cc1CC(N)C)OC" . "COc1cc(I)c(cc1C[C@@H](N)C)OC" . "BGMZUEKZENQUJY-ZETCQYMHSA-N" . "InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m0/s1" . "CC(Cc1c[nH]c2c1cc(O)cc2)N" . "CC(Cc1c[nH]c2c1cc(O)cc2)N" . "LYPCGXKCQDYTFV-UHFFFAOYSA-N" . "InChI=1S/C11H14N2O/c1-7(12)4-8-6-13-11-3-2-9(14)5-10(8)11/h2-3,5-7,13-14H,4,12H2,1H3" . "CN1CCC(CC1)c1c[nH]c2c1cc(cc2)NC(=O)c1ccc(cc1)F" . "CN1CCC(CC1)c1c[nH]c2c1cc(cc2)NC(=O)c1ccc(cc1)F" . "MDMJLMDBRQXOOI-UHFFFAOYSA-N" . "InChI=1S/C21H22FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12-14,23H,8-11H2,1H3,(H,24,26)" . "CCC(NC(=O)C1CN(C)C2C(=C1)c1cccc3c1c(C2)c[nH]3)CO" . "CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CO" . "UNBRKDKAWYKMIV-QWQRMKEZSA-N" . "InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1" . "O=C(C1CN(C)C2C(=C1)c1cccc3c1c(C2)c[nH]3)NC1(C)OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O" . "O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O" . "XCGSFFUVFURLIX-VFGNJEKYSA-N" . "InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1" . "OCC(NC(=O)C1CN(C)C2C(=C1)c1cccc3c1c(C2)c[nH]3)C" . "OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C" . "WVVSZNPYNCNODU-XTQGRXLLSA-N" . "InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13+,17+/m0/s1" . "COc1cc(I)c(cc1CC(N)C)OC" . "COc1cc(I)c(cc1CC(N)C)OC" . "BGMZUEKZENQUJY-UHFFFAOYSA-N" . "InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3" . "NCCc1c[nH]c2c1cc(F)cc2" . "NCCc1c[nH]c2c1cc(F)cc2" . "ZKIORVIXEWIOGB-UHFFFAOYSA-N" . "InChI=1S/C10H11FN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2" . "COc1ccc2c(c1)c(CCN(C)C)c[nH]2" . "COc1ccc2c(c1)c(CCN(C)C)c[nH]2" . "ZSTKHSQDNIGFLM-UHFFFAOYSA-N" . "InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3" . "CN(CCc1c[nH]c2c1cc(O)cc2)C" . "CN(CCc1c[nH]c2c1cc(O)cc2)C" . "VTTONGPRPXSUTJ-UHFFFAOYSA-N" . "InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3" . "N#Cc1ccc2c(c1)CCN(C2)CCC1CCC(CC1)NC(=O)c1ccnc2c1cccc2" . "N#Cc1ccc2c(c1)CCN(C2)CC[C@@H]1CC[C@H](CC1)NC(=O)c1ccnc2c1cccc2" . "OLWRVVHPJFLNPW-LSNLESRRSA-N" . "InChI=1S/C28H30N4O/c29-18-21-5-8-23-19-32(16-13-22(23)17-21)15-12-20-6-9-24(10-7-20)31-28(33)26-11-14-30-27-4-2-1-3-25(26)27/h1-5,8,11,14,17,20,24H,6-7,9-10,12-13,15-16,19H2,(H,31,33)/t20-,24-" . "Clc1cccc(c1)N1CCNCC1" . "Clc1cccc(c1)N1CCNCC1" . "VHFVKMTVMIZMIK-UHFFFAOYSA-N" . "InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2" . "CN(CCc1c[nH]c2c1cccc2)C" . "CN(CCc1c[nH]c2c1cccc2)C" . "DMULVCHRPCFFGV-UHFFFAOYSA-N" . "InChI=1S/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3" . "CN1CC(C=C2C1Cc1c[nH]c3c1c2ccc3)C(=O)O" . "CN1C[C@@H](C=C2C1Cc1c[nH]c3c1c2ccc3)C(=O)O" . "ZAGRKAFMISFKIO-IAPIXIRKSA-N" . "InChI=1S/C16H16N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-5,7,10,14,17H,6,8H2,1H3,(H,19,20)/t10-,14?/m1/s1" . "OCC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)C)NC(=O)C(CC(C)C)N" . "OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)C)NC(=O)[C@H](CC(C)C)N" . "IMIVWAUMTAIVPJ-XUXIUFHCSA-N" . "InChI=1S/C18H34N4O6/c1-9(2)6-12(19)16(25)22-14(8-23)17(26)20-11(5)15(24)21-13(18(27)28)7-10(3)4/h9-14,23H,6-8,19H2,1-5H3,(H,20,26)(H,21,24)(H,22,25)(H,27,28)/t11-,12-,13-,14-/m0/s1" . "COC(=O)C1C(O)CCC2C1CC1N(C2)CCc2c1[nH]c1c2cccc1" . "COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1" . "BLGXFZZNTVWLAY-DIRVCLHFSA-N" . "InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17+,18+,19+/m1/s1" . "CN1CCN2C(C1)c1ccccc1Cc1c2cccc1" . "CN1CCN2C(C1)c1ccccc1Cc1c2cccc1" . "UEQUQVLFIPOEMF-UHFFFAOYSA-N" . "InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3" . "CCC(NC(=O)C1CN(C)C2C(=C1)c1cccc3c1c(C2)cn3C)CO" . "CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO" . "KPJZHOPZRAFDTN-ZRGWGRIASA-N" . "InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1" . "O=C(OCc1ccccc1)NCC1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C" . "O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C" . "WZHJKEUHNJHDLS-QTGUNEKASA-N" . "InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1" . "N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2" . "N#Cc1[nH]c2c(c1)c(OCC(CNC(C)(C)C)O)ccc2" . "QXIUMMLTJVHILT-UHFFFAOYSA-N" . "InChI=1S/C16H21N3O2/c1-16(2,3)18-9-12(20)10-21-15-6-4-5-14-13(15)7-11(8-17)19-14/h4-7,12,18-20H,9-10H2,1-3H3" . "COc1ccc(cc1N1CCN(CC1)C)NC(=O)c1ccc(c(c1)C)c1ccncc1" . "COc1ccc(cc1N1CCN(CC1)C([3H])([3H])[3H])NC(=O)c1ccc(c(c1)C)c1ccncc1" . "GNOXPYACARZYMW-BHTRQJOGSA-N" . "InChI=1S/C25H28N4O2/c1-18-16-20(4-6-22(18)19-8-10-26-11-9-19)25(30)27-21-5-7-24(31-3)23(17-21)29-14-12-28(2)13-15-29/h4-11,16-17H,12-15H2,1-3H3,(H,27,30)/i2T3" . "CNS(=O)(=O)Cc1ccc2c(c1)c(c[nH]2)CC1CCCN1C" . "CNS(=O)(=O)Cc1ccc2c(c1)c(c[nH]2)C[C@H]1CCCN1C" . "BWQZTHPHLITOOZ-CQSZACIVSA-N" . "InChI=1S/C16H23N3O2S/c1-17-22(20,21)11-12-5-6-16-15(8-12)13(10-18-16)9-14-4-3-7-19(14)2/h5-6,8,10,14,17-18H,3-4,7,9,11H2,1-2H3/t14-/m1/s1" . "CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C" . "CN1CCC2(CC1)COc1c2cc2c(c1)CCN2C(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C" . "ATQMRMGXINTJHV-UHFFFAOYSA-N" . "InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3" . "N#Cc1ccc2c(c1)C1CN(CC1CO2)CCCCNC(=O)c1ccc(cc1)c1ccccc1" . "N#Cc1ccc2c(c1)[C@H]1CN(C[C@@H]1CO2)CCCCNC(=O)c1ccc(cc1)c1ccccc1" . "QQJHRQZZCNYDMX-VPUSJEBWSA-N" . "InChI=1S/C29H29N3O2/c30-17-21-8-13-28-26(16-21)27-19-32(18-25(27)20-34-28)15-5-4-14-31-29(33)24-11-9-23(10-12-24)22-6-2-1-3-7-22/h1-3,6-13,16,25,27H,4-5,14-15,18-20H2,(H,31,33)/t25-,27+/m1/s1" . "CCCN(C1CCc2c(C1)cccc2O)CCC" . "CCCN(C1CCc2c(C1)cccc2O)CCC" . "MDBWEQVKJDMEMK-UHFFFAOYSA-N" . "InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3" . "OC(COc1cccc2c1cc[nH]2)CNC(C)C" . "O[C@H](COc1cccc2c1cc[nH]2)CNC(C)C" . "JZQKKSLKJUAGIC-NSHDSACASA-N" . "InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3/t11-/m0/s1" . "COc1ccccc1N1CCN(CC1)CC(C(=O)NC(C)(C)C)c1ccccc1" . "COc1ccccc1N1CCN(CC1)C[C@@H](C(=O)NC(C)(C)C)c1ccccc1" . "UMTDAKAAYOXIKU-HXUWFJFHSA-N" . "InChI=1S/C24H33N3O2/c1-24(2,3)25-23(28)20(19-10-6-5-7-11-19)18-26-14-16-27(17-15-26)21-12-8-9-13-22(21)29-4/h5-13,20H,14-18H2,1-4H3,(H,25,28)/t20-/m1/s1" . "NCCc1c[nH]c2c1cccc2" . "NCCc1c[nH]c2c1cccc2" . "APJYDQYYACXCRM-UHFFFAOYSA-N" . "InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2" . "Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C" . "Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C" . "WYWIFABBXFUGLM-UHFFFAOYSA-N" . "InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)" . "OCC1CN(C)C2C(=C1)c1cccc3c1c(C2)c[nH]3" . "OC[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3" . "BIXJFIJYBLJTMK-MEBBXXQBSA-N" . "InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15-/m1/s1" . "CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C" . "CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C" . "ZPEIMTDSQAKGNT-UHFFFAOYSA-N" . "InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3" . "CCCN(CCC)CCc1c[nH]c2c1cc(cc2)C(=O)N" . "CCCN(CCC)CCc1c[nH]c2c1cc(cc2)C(=O)N" . "DPXOFRGRKPFZOD-UHFFFAOYSA-N" . "InChI=1S/C17H25N3O/c1-3-8-20(9-4-2)10-7-14-12-19-16-6-5-13(17(18)21)11-15(14)16/h5-6,11-12,19H,3-4,7-10H2,1-2H3,(H2,18,21)" . "OCC(C(C(F)(F)F)C(F)(F)F)NS(=O)(=O)c1ccc(s1)Cl" . "OC[C@H](C(C(F)(F)F)C(F)(F)F)NS(=O)(=O)c1ccc(s1)Cl" . "PSXOKXJMVRSARX-SCSAIBSYSA-N" . "InChI=1S/C9H8ClF6NO3S2/c10-5-1-2-6(21-5)22(19,20)17-4(3-18)7(8(11,12)13)9(14,15)16/h1-2,4,7,17-18H,3H2/t4-/m1/s1" . "CN1CC(CC2C1Cc1c[nH]c3c1c2ccc3)C(=O)NC1(C)OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O" . "CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O" . "LUZRJRNZXALNLM-JGRZULCMSA-N" . "InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23-,25-,26+,27+,32-,33+/m1/s1" . "C(NCC1CCc2c(O1)cccc2)CCNC1=NCCCN1" . "C(NC[C@H]1CCc2c(O1)cccc2)CCNC1=NCCCN1" . "QVSXOXCYXPQXMF-OAHLLOKOSA-N" . "InChI=1S/C17H26N4O/c1-2-6-16-14(5-1)7-8-15(22-16)13-18-9-3-10-19-17-20-11-4-12-21-17/h1-2,5-6,15,18H,3-4,7-13H2,(H2,19,20,21)/t15-/m1/s1" . "CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2" . "CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C([3H])([3H])[3H])C([3H])([3H])[3H])c[nH]2" . "KQKPFRSPSRPDEB-KERYDJPLSA-N" . "InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3/i2T3,3T3" . "CN1CCCC1Cc1c[nH]c2c1cc(cc2)CCS(=O)(=O)c1ccccc1" . "C([3H])(N1CCC[C@@H]1Cc1c[nH]c2c1cc(cc2)CCS(=O)(=O)c1ccccc1)([3H])[3H]" . "PWVXXGRKLHYWKM-YWMWWHSFSA-N" . "InChI=1S/C22H26N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/t19-/m1/s1/i1T3" . "C(NCC1CCc2c(O1)cccc2)CCNC1=NCCCN1" . "C(NC[C@H]1CCc2c(O1)cccc2)CCNC1=NCCCN1" . "QVSXOXCYXPQXMF-OAHLLOKOSA-N" . "InChI=1S/C17H26N4O/c1-2-6-16-14(5-1)7-8-15(22-16)13-18-9-3-10-19-17-20-11-4-12-21-17/h1-2,5-6,15,18H,3-4,7-13H2,(H2,19,20,21)/t15-/m1/s1" . "FC(c1cccc(c1)N1CCNCC1)(F)F" . "FC(c1cccc(c1)N1CCNCC1)(F)F" . "KKIMDKMETPPURN-UHFFFAOYSA-N" . "InChI=1S/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2" . "Fc1cccc(c1)CCN1CCN(CC1)CCCc1c[nH]c2c1cc(cc2)n1cnnc1" . "Fc1cccc(c1)CCN1CCN(CC1)CCCc1c[nH]c2c1cc(cc2)n1cnnc1" . "ZUTQCPBDRJBADG-UHFFFAOYSA-N" . "InChI=1S/C25H29FN6/c26-22-5-1-3-20(15-22)8-10-31-13-11-30(12-14-31)9-2-4-21-17-27-25-7-6-23(16-24(21)25)32-18-28-29-19-32/h1,3,5-7,15-19,27H,2,4,8-14H2" . "CN(CCCc1cc(ccc1O)C(=O)Nc1ccc(cc1)c1ccncc1)C" . "CN(CCCc1cc(ccc1O)C(=O)Nc1ccc(cc1)c1ccncc1)C" . "ZAGAUUVCYGSPBP-UHFFFAOYSA-N" . "InChI=1S/C23H25N3O2/c1-26(2)15-3-4-19-16-20(7-10-22(19)27)23(28)25-21-8-5-17(6-9-21)18-11-13-24-14-12-18/h5-14,16,27H,3-4,15H2,1-2H3,(H,25,28)" . "CN1CCN(CC1)c1nc2cc(ccc2n2c1ccc2)C(F)(F)F" . "CN1CCN(CC1)c1nc2cc(ccc2n2c1ccc2)C(F)(F)F" . "LXFHSCDLMBZYKY-UHFFFAOYSA-N" . "InChI=1S/C17H17F3N4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16/h2-6,11H,7-10H2,1H3" . "COc1cncnc1N1CCN(CC1)CCCc1c[nH]c2c1cc(F)cc2" . "COc1cncnc1N1CCN(CC1)CCCc1c[nH]c2c1cc(F)cc2" . "NRLXAYBZNVHRFL-UHFFFAOYSA-N" . "InChI=1S/C20H24FN5O/c1-27-19-13-22-14-24-20(19)26-9-7-25(8-10-26)6-2-3-15-12-23-18-5-4-16(21)11-17(15)18/h4-5,11-14,23H,2-3,6-10H2,1H3" . "NCCc1c[nH]c2c1cc(OC)cc2" . "NCCc1c[nH]c2c1cc(OC)cc2" . "JTEJPPKMYBDEMY-UHFFFAOYSA-N" . "InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3" . "CCCCCCCCCOc1ccc2c(c1)c(CCN)c[nH]2" . "CCCCCCCCCOc1ccc2c(c1)c(CCN)c[nH]2" . "YHSMSRREJYOGQJ-UHFFFAOYSA-N" . "InChI=1S/C19H30N2O/c1-2-3-4-5-6-7-8-13-22-17-9-10-19-18(14-17)16(11-12-20)15-21-19/h9-10,14-15,21H,2-8,11-13,20H2,1H3" . "CN1CCc2c3C(C1)CCCc3ccc2Cl" . "CN1CCc2c3C(C1)CCCc3ccc2Cl" . "KELNXILYABMXFF-UHFFFAOYSA-N" . "InChI=1S/C14H18ClN/c1-16-8-7-12-13(15)6-5-10-3-2-4-11(9-16)14(10)12/h5-6,11H,2-4,7-9H2,1H3" . "CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C" . "CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C" . "HDOZVRUNCMBHFH-UHFFFAOYSA-N" . "InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3" . "COC(=O)C1C(O)CCC2C1CC1N(C2)CCc2c1[nH]c1c2cccc1" . "COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1" . "BLGXFZZNTVWLAY-SCYLSFHTSA-N" . "InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1" . "O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2c1cccc2" . "O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2c1cccc2" . "ZFZPJDFBJFHYIV-UHFFFAOYSA-N" . "InChI=1S/C24H32N4O2S/c29-21-17-24(9-3-4-10-24)18-22(30)28(21)12-6-5-11-26-13-15-27(16-14-26)23-19-7-1-2-8-20(19)31-25-23/h1-2,7-8H,3-6,9-18H2" . "CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1" . "CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1" . "KLBQZWRITKRQQV-UHFFFAOYSA-N" . "InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3" . "Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1" . "Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1" . "DKGZKTPJOSAWFA-UHFFFAOYSA-N" . "InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)" . "Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O" . "Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O" . "GZKLJWGUPQBVJQ-UHFFFAOYSA-N" . "InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)" . "Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F" . "Fc1ccc(cc1)C(=C1CCN(CC1)CCc1c(C)nc2n(c1=O)ccs2)c1ccc(cc1)F" . "JUQLTPCYUFPYKE-UHFFFAOYSA-N" . "InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3" . "Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2" . "Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2" . "RAPZEAPATHNIPO-UHFFFAOYSA-N" . "InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3" . "O=C1c2ccccc2S(=O)(=O)N1CCCCNCC1CCc2c(O1)cccc2" . "O=C1c2ccccc2S(=O)(=O)N1CCCCNC[C@H]1CCc2c(O1)cccc2" . "YGYBFMRFXNDIPO-QGZVFWFLSA-N" . "InChI=1S/C21H24N2O4S/c24-21-18-8-2-4-10-20(18)28(25,26)23(21)14-6-5-13-22-15-17-12-11-16-7-1-3-9-19(16)27-17/h1-4,7-10,17,22H,5-6,11-15H2/t17-/m1/s1" . "CCN1CCCC1CNC(=O)c1c(O)c(Cl)cc(c1OC)Cl" . "CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(c1OC)Cl" . "WAOQONBSWFLFPE-VIFPVBQESA-N" . "InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1" . "CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1" . "CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1" . "FIADGNVRKBPQEU-UHFFFAOYSA-N" . "InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3" . "O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N" . "O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N" . "AXKPFOAXAHJUAG-UHFFFAOYSA-N" . "InChI=1S/C21H30FN3O2/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25/h6-9H,1-5,10-16H2,(H2,23,27)" . "OC(COc1cccc2c1cc[nH]2)CNC(C)C" . "OC(COc1cccc2c1cc[nH]2)CNC(C)C" . "JZQKKSLKJUAGIC-UHFFFAOYSA-N" . "InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3" . "Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2" . "Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2" . "YVUQSNJEYSNKRX-UHFFFAOYSA-N" . "InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)" . "CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C" . "CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C" . "RLJFTICUTYVZDG-UHFFFAOYSA-N" . "InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3" . "Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2" . "Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2" . "FPCCSQOGAWCVBH-UHFFFAOYSA-N" . "InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)" . "COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C" . "COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C" . "XMXHEBAFVSFQEX-UHFFFAOYSA-N" . "InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3" . "Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl" . "Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl" . "LNEPOXFFQSENCJ-UHFFFAOYSA-N" . "InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2" . "Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1" . "Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1" . "QOYHHIBFXOOADH-UHFFFAOYSA-N" . "InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)" . "N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1" . "N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1" . "SLFGIOIONGJGRT-UHFFFAOYSA-N" . "InChI=1S/C19H21N3S/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)23-19-9-8-15(11-20)10-17(19)22/h4-10,14H,12-13H2,1-3H3" . "NC(=O)c1ccc(c2c1CC(CO2)N(C1CCC1)C1CCC1)F" . "NC(=O)c1c([3H])cc(c2c1C[C@H](CO2)N(C1CCC1)C1CCC1)F" . "MQTUXRKNJYPMCG-FZQCOGARSA-N" . "InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)/t13-/m1/s1/i7T" . "COc1ccccc1N1CCN(CC1)CCN(C(=O)c1ccc(cc1)F)c1ccccn1" . "COc1ccccc1N1CCN(CC1)CCN(C(=O)c1ccc(cc1)F)c1ccccn1" . "YJZYDPRMWYWYCG-UHFFFAOYSA-N" . "InChI=1S/C25H27FN4O2/c1-32-23-7-3-2-6-22(23)29-17-14-28(15-18-29)16-19-30(24-8-4-5-13-27-24)25(31)20-9-11-21(26)12-10-20/h2-13H,14-19H2,1H3" . "COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1" . "COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1" . "SBPRIAGPYFYCRT-UHFFFAOYSA-N" . "InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3" . "COc1ccccc1N1CCN(CC1)CC(C(=O)NC(C)(C)C)c1ccccc1" . "COc1ccccc1N1CCN(CC1)CC(C(=O)NC(C)(C)C)c1ccccc1" . "UMTDAKAAYOXIKU-UHFFFAOYSA-N" . "InChI=1S/C24H33N3O2/c1-24(2,3)25-23(28)20(19-10-6-5-7-11-19)18-26-14-16-27(17-15-26)21-12-8-9-13-22(21)29-4/h5-13,20H,14-18H2,1-4H3,(H,25,28)" . "COC(=O)c1[nH]c2c(c1)c(ccc2)N1CCN(CC1)CCCCN1C(=O)c2c(S1(=O)=O)cccc2" . "COC(=O)c1[nH]c2c(c1)c(ccc2)N1CCN(CC1)CCCCN1C(=O)c2c(S1(=O)=O)cccc2" . "LPPRLWFUMJHAKF-UHFFFAOYSA-N" . "InChI=1S/C25H28N4O5S/c1-34-25(31)21-17-19-20(26-21)8-6-9-22(19)28-15-13-27(14-16-28)11-4-5-12-29-24(30)18-7-2-3-10-23(18)35(29,32)33/h2-3,6-10,17,26H,4-5,11-16H2,1H3" . "Cc1ccc2c(n1)cccc2OCCN1CCN(CC1)Cc1cccc2c1nccc2" . "Cc1ccc2c(n1)cccc2OCCN1CCN(CC1)Cc1cccc2c1nccc2" . "RMCSKUADBRROSI-UHFFFAOYSA-N" . "InChI=1S/C26H28N4O/c1-20-10-11-23-24(28-20)8-3-9-25(23)31-18-17-29-13-15-30(16-14-29)19-22-6-2-5-21-7-4-12-27-26(21)22/h2-12H,13-19H2,1H3" . "O=C1COc2c(N1)cc(cc2)CC1CCN(CC1)CCOc1cccc2c1ccc(n2)C" . "O=C1COc2c(N1)cc(cc2)CC1CCN(CC1)CCOc1cccc2c1ccc(n2)C" . "PJSUYRBCBFPCQW-UHFFFAOYSA-N" . "InChI=1S/C26H29N3O3/c1-18-5-7-21-22(27-18)3-2-4-24(21)31-14-13-29-11-9-19(10-12-29)15-20-6-8-25-23(16-20)28-26(30)17-32-25/h2-8,16,19H,9-15,17H2,1H3,(H,28,30)" . "CN1CCN(CC1)c1cc2c(cc1Cl)CCN2C(=O)Nc1ccc(c2c1cccc2)c1ccncc1" . "CN1CCN(CC1)c1cc2c(cc1Cl)CCN2C(=O)Nc1ccc(c2c1cccc2)c1ccncc1" . "DAPBIPAGJXKFCI-UHFFFAOYSA-N" . "InChI=1S/C29H28ClN5O/c1-33-14-16-34(17-15-33)28-19-27-21(18-25(28)30)10-13-35(27)29(36)32-26-7-6-22(20-8-11-31-12-9-20)23-4-2-3-5-24(23)26/h2-9,11-12,18-19H,10,13-17H2,1H3,(H,32,36)" . "CCCCCCOc1nsnc1C1=CCCN(C1)C" . "CCCCCCOc1nsnc1C1=CCCN(C1)C" . "JOLJIIDDOBNFHW-UHFFFAOYSA-N" . "InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3" . "COc1ccccc1N1CCN(CC1)CCN(c1ccccc1[N+](=O)[O-])C(=O)C1CCCCC1" . "COc1ccccc1N1CCN(CC1)CCN(c1ccccc1[N+](=O)[O-])C(=O)C1CCCCC1" . "HVMKWKIPLGPYAR-UHFFFAOYSA-N" . "InChI=1S/C26H34N4O4/c1-34-25-14-8-7-13-24(25)28-18-15-27(16-19-28)17-20-29(26(31)21-9-3-2-4-10-21)22-11-5-6-12-23(22)30(32)33/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3" . "COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2" . "COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2" . "SJDOMIRMMUGQQK-UHFFFAOYSA-N" . "InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3" . "NC(=O)c1ccc(c2c1CC(CO2)N(C1CCC1)C1CCC1)F" . "NC(=O)c1ccc(c2c1C[C@H](CO2)N(C1CCC1)C1CCC1)F" . "MQTUXRKNJYPMCG-CYBMUJFWSA-N" . "InChI=1S/C18H23FN2O2/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12/h7-8,11-13H,1-6,9-10H2,(H2,20,22)/t13-/m1/s1" . "COc1ccc2c(c1)c(CCN(C)C)c([nH]2)c1ccccc1" . "COc1ccc2c(c1)c(CCN(C)C)c([nH]2)c1ccccc1" . "VSGPGYWZVPDDSK-UHFFFAOYSA-N" . "InChI=1S/C19H22N2O/c1-21(2)12-11-16-17-13-15(22-3)9-10-18(17)20-19(16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3" . "CCCN(C1CCc2c(C1)ccc(c2)CS(=O)(=O)c1ccc(cc1)OC)CCC" . "CCCN([C@@H]1CCc2c(C1)ccc(c2)CS(=O)(=O)c1ccc(cc1)OC)CCC" . "HUXFXXWYIRBVJR-JOCHJYFZSA-N" . "InChI=1S/C24H33NO3S/c1-4-14-25(15-5-2)22-9-8-20-16-19(6-7-21(20)17-22)18-29(26,27)24-12-10-23(28-3)11-13-24/h6-7,10-13,16,22H,4-5,8-9,14-15,17-18H2,1-3H3/t22-/m1/s1" . "COc1ccc(cc1N1CCN(CC1)C)NC(=O)c1ccc(c(c1)C)c1ccncc1" . "COc1ccc(cc1N1CCN(CC1)C)NC(=O)c1ccc(c(c1)C)c1ccncc1" . "GNOXPYACARZYMW-UHFFFAOYSA-N" . "InChI=1S/C25H28N4O2/c1-18-16-20(4-6-22(18)19-8-10-26-11-9-19)25(30)27-21-5-7-24(31-3)23(17-21)29-14-12-28(2)13-15-29/h4-11,16-17H,12-15H2,1-3H3,(H,27,30)" . "COc1ccccc1N1CCN(CC1)CCN(C(=O)c1ccc(cc1)I)c1ccccn1" . "COc1ccccc1N1CCN(CC1)CCN(C(=O)c1ccc(cc1)I)c1ccccn1" . "DHMLNZRDVQLQBB-UHFFFAOYSA-N" . "InChI=1S/C25H27IN4O2/c1-32-23-7-3-2-6-22(23)29-17-14-28(15-18-29)16-19-30(24-8-4-5-13-27-24)25(31)20-9-11-21(26)12-10-20/h2-13H,14-19H2,1H3" . "Clc1ccc2c(c1)C(=NC(C(=N2)O)O)c1ccccc1" . "Clc1ccc2c(c1)C(=NC(C(=N2)O)O)c1ccccc1" . "ADIMAYPTOBDMTL-UHFFFAOYSA-N" . "InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)" . "OC1CCc2n(C1)c(=O)c(c(n2)C)CCN1CCC(CC1)c1noc2c1ccc(c2)F" . "OC1CCc2n(C1)c(=O)c(c(n2)C)CCN1CCC(CC1)c1noc2c1ccc(c2)F" . "ABWPQNZPAOAQSG-UHFFFAOYSA-N" . "InChI=1S/C23H27FN4O3/c1-14-18(23(30)28-13-17(29)3-5-21(28)25-14)8-11-27-9-6-15(7-10-27)22-19-4-2-16(24)12-20(19)31-26-22/h2,4,12,15,17,29H,3,5-11,13H2,1H3" . "FCC(NCC(COc1cccc2c1c1ccccc1[nH]2)O)C" . "FCC(NC[C@@H](COc1cccc2c1c1ccccc1[nH]2)O)C" . "QHLGXPUIUKSADT-ABLWVSNPSA-N" . "InChI=1S/C18H21FN2O2/c1-12(9-19)20-10-13(22)11-23-17-8-4-7-16-18(17)14-5-2-3-6-15(14)21-16/h2-8,12-13,20-22H,9-11H2,1H3/t12?,13-/m0/s1" . "FCC(NCC(COc1cccc2c1c1ccccc1[nH]2)O)C" . "FCC(NC[C@H](COc1cccc2c1c1ccccc1[nH]2)O)C" . "QHLGXPUIUKSADT-ZGTCLIOFSA-N" . "InChI=1S/C18H21FN2O2/c1-12(9-19)20-10-13(22)11-23-17-8-4-7-16-18(17)14-5-2-3-6-15(14)21-16/h2-8,12-13,20-22H,9-11H2,1H3/t12?,13-/m1/s1" . "OC(COc1cccc2c1SCCC2)CNC(C)(C)C" . "O[C@@H](COc1cccc2c1SCCC2)CNC(C)(C)C" . "HTWFXPCUFWKXOP-CYBMUJFWSA-N" . "InChI=1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3/t13-/m1/s1" . "OC(COc1cccc2c1cccc2)CNC(C)C" . "O[C@H](COc1cccc2c1cccc2)CNC(C)C" . "AQHHHDLHHXJYJD-AWEZNQCLSA-N" . "InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m0/s1" . "OC1(CCN2C(C1)c1cccc3c1C(C2)c1ccccc1CC3)C(C)(C)C" . "O[C@]1(CCN2[C@@H](C1)c1cccc3c1[C@@H](C2)c1ccccc1CC3)C(C)(C)C" . "ZZJYIKPMDIWRSN-HWBMXIPRSA-N" . "InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1" . "CCCN(C1CCc2c(C1)c(O)ccc2F)CCC" . "CCCN([C@H]1CCc2c(C1)c(O)ccc2F)CCC" . "FNKBVTBXFLSTPB-LBPRGKRZSA-N" . "InChI=1S/C16H24FNO/c1-3-9-18(10-4-2)12-5-6-13-14(11-12)16(19)8-7-15(13)17/h7-8,12,19H,3-6,9-11H2,1-2H3/t12-/m0/s1" . "CN(CCc1c[nH]c2c1cc(CC1COC(=O)N1)cc2)C" . "CN(CCc1c[nH]c2c1cc(C[C@H]1COC(=O)N1)cc2)C" . "ULSDMUVEXKOYBU-ZDUSSCGKSA-N" . "InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1" . "O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2" . "O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2" . "MVWVFYHBGMAFLY-UHFFFAOYSA-N" . "InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)" . "O=C1N(CCCCN2CCN(CC2)c2ncccn2)C(=O)C2C1C1C=CC2C2C1C=C2" . "O=C1N(CCCCN2CCN(CC2)c2ncccn2)C(=O)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2[C@@H]2[C@H]1C=C2" . "AERLHOTUXIJQFV-RCPZPFRWSA-N" . "InChI=1S/C24H29N5O2/c30-22-20-18-6-7-19(17-5-4-16(17)18)21(20)23(31)29(22)11-2-1-10-27-12-14-28(15-13-27)24-25-8-3-9-26-24/h3-9,16-21H,1-2,10-15H2/t16-,17+,18-,19+,20-,21+" . "CCN(C(=O)NC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3)CC" . "CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC" . "JOAHPSVPXZTVEP-YXJHDRRASA-N" . "InChI=1S/C20H28N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25)/t14-,16+,18+/m0/s1" . "O=C1N(CCCCN2CCN(CC2)c2ncccn2)C(=O)C2C1C1CCC2C1" . "O=C1N(CCCCN2CCN(CC2)c2ncccn2)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1" . "CEIJFEGBUDEYSX-FZDBZEDMSA-N" . "InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-" . "CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2" . "CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2" . "KQKPFRSPSRPDEB-UHFFFAOYSA-N" . "InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3" . "O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1" . "O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1" . "JVGBTTIJPBFLTE-UHFFFAOYSA-N" . "InChI=1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26)" . "Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2" . "Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2" . "HGEYJZMMUGWEOT-UHFFFAOYSA-N" . "InChI=1S/C23H26N2O/c26-21-9-10-23-22(16-21)20(17-24-23)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2" . "CN(CCc1c[nH]c2c1cc(cc2)Cn1cncn1)C" . "CN(CCc1c[nH]c2c1cc(cc2)Cn1cncn1)C" . "ULFRLSNUDGIQQP-UHFFFAOYSA-N" . "InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3" . "OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2" . "OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2" . "URKOMYMAXPYINW-UHFFFAOYSA-N" . "InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2" . "c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2" . "c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2" . "OQDPVLVUJFGPGQ-UHFFFAOYSA-N" . "InChI=1S/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14/h1-5,10H,6-9,11-12H2" . "CCCN1CC(CSC)CC2C1Cc1c[nH]c3c1c2ccc3" . "CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3" . "YEHCICAEULNIGD-MZMPZRCHSA-N" . "InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1" . "CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C" . "CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C" . "WXPNDRBBWZMPQG-UHFFFAOYSA-N" . "InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,18H,7-10H2,1-2H3" . "Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2C" . "Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2C" . "ZZQNEJILGNNOEP-UHFFFAOYSA-N" . "InChI=1S/C24H25FN4O2/c1-15-4-3-10-29-23(15)26-16(2)19(24(29)30)9-13-28-11-7-17(8-12-28)22-20-6-5-18(25)14-21(20)31-27-22/h3-6,10,14,17H,7-9,11-13H2,1-2H3" . "CNS(=O)(=O)CCc1ccc2c(c1)c(c[nH]2)C1CCN(CC1)C" . "CNS(=O)(=O)CCc1ccc2c(c1)c(c[nH]2)C1CCN(CC1)C" . "AMKVXSZCKVJAGH-UHFFFAOYSA-N" . "InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3" . "CCCCN1CCCC1CNC(=O)c1cc(C#N)c2c(c1OC)cccc2" . "CCCCN1CCCC1CNC(=O)c1cc(C#N)c2c(c1OC)cccc2" . "IDZASIQMRGPBCQ-UHFFFAOYSA-N" . "InChI=1S/C22H27N3O2/c1-3-4-11-25-12-7-8-17(25)15-24-22(26)20-13-16(14-23)18-9-5-6-10-19(18)21(20)27-2/h5-6,9-10,13,17H,3-4,7-8,11-12,15H2,1-2H3,(H,24,26)" . "CCN(C(=O)NC1CN(C)C2C(=C1)c1cccc3c1c(C2)c[nH]3)CC" . "CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC" . "BKRGVLQUQGGVSM-KBXCAEBGSA-N" . "InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1" . "O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1" . "O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1" . "TZJUVVIWVWFLCD-UHFFFAOYSA-N" . "InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2" . "Fc1cccc2c1OC1CNCC1O2" . "Fc1cccc2c1O[C@H]1CNC[C@@H]1O2" . "XSOUHEXVEOQRKJ-IUCAKERBSA-N" . "InChI=1S/C10H10FNO2/c11-6-2-1-3-7-10(6)14-9-5-12-4-8(9)13-7/h1-3,8-9,12H,4-5H2/t8-,9-/m0/s1" . "CN1CCCC1Cc1c[nH]c2c1cc(cc2)CCS(=O)(=O)c1ccccc1" . "CN1CCC[C@@H]1Cc1c[nH]c2c1cc(cc2)CCS(=O)(=O)c1ccccc1" . "PWVXXGRKLHYWKM-LJQANCHMSA-N" . "InChI=1S/C22H26N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/t19-/m1/s1" . "NCCc1c[nH]c2c1cc(OCC(=O)N1CCN(CC1)c1ccc(cc1)C#N)cc2" . "NCCc1c[nH]c2c1cc(OCC(=O)N1CCN(CC1)c1ccc(cc1)C#N)cc2" . "SOHCKWZVTCTQBG-UHFFFAOYSA-N" . "InChI=1S/C23H25N5O2/c24-8-7-18-15-26-22-6-5-20(13-21(18)22)30-16-23(29)28-11-9-27(10-12-28)19-3-1-17(14-25)2-4-19/h1-6,13,15,26H,7-12,16,24H2" . "CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2" . "CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2" . "QZUDBNBUXVUHMW-UHFFFAOYSA-N" . "InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3" . "C=CCN1CC(CC2C1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C" . "C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C" . "KORNTPPJEAJQIU-KJXAQDMKSA-N" . "InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1" . "O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1" . "O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1" . "QWCRAEMEVRGPNT-UHFFFAOYSA-N" . "InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2" . "CC(CC1C(=O)N2CCCC2C2(N1C(=O)C(O2)(NC(=O)C1CN(C)C2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C" . "CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C" . "OZVBMTJYIDMWIL-AYFBDAFISA-N" . "InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1" . "O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl" . "O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl" . "CEUORZQYGODEFX-UHFFFAOYSA-N" . "InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)" . "CN1CCc2c3C1Cc1ccc(c(c1c3ccc2)O)O" . "CN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O" . "VMWNQDUVQKEIOC-CYBMUJFWSA-N" . "InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1" . "C1COc2c(O1)cccc2N1CCN(CC1)C1Cc2c(C1)cccc2" . "C1COc2c(O1)cccc2N1CCN(CC1)C1Cc2c(C1)cccc2" . "QJPPEMXOOWNICQ-UHFFFAOYSA-N" . "InChI=1S/C21H24N2O2/c1-2-5-17-15-18(14-16(17)4-1)22-8-10-23(11-9-22)19-6-3-7-20-21(19)25-13-12-24-20/h1-7,18H,8-15H2" . "CCCN(C1CCc2c(C1)c1cc([nH]c1cc2)C#N)CCC" . "CCCN([C@@H]1CCc2c(C1)c1cc([nH]c1cc2)C#N)CCC" . "WDDZPZKGLZNGEH-MRXNPFEDSA-N" . "InChI=1S/C19H25N3/c1-3-9-22(10-4-2)16-7-5-14-6-8-19-18(17(14)12-16)11-15(13-20)21-19/h6,8,11,16,21H,3-5,7,9-10,12H2,1-2H3/t16-/m1/s1" . "Nc1c(Cl)cc(c2c1OCCO2)c1nn(c(=O)o1)C1CCN(CC1)CCc1ccccc1" . "Nc1c(Cl)cc(c2c1OCCO2)c1nn(c(=O)o1)C1CCN(CC1)CCc1ccccc1" . "MDBNTXARNGRHEV-UHFFFAOYSA-N" . "InChI=1S/C23H25ClN4O4/c24-18-14-17(20-21(19(18)25)31-13-12-30-20)22-26-28(23(29)32-22)16-7-10-27(11-8-16)9-6-15-4-2-1-3-5-15/h1-5,14,16H,6-13,25H2" . "COc1ccc(cc1OCCN(C)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C" . "COc1ccc(cc1OCCN(C)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C" . "JRNUKVFYILMMLX-UHFFFAOYSA-N" . "InChI=1S/C28H30N4O4/c1-18-16-22(27-29-19(2)36-31-27)10-12-24(18)20-6-8-21(9-7-20)28(33)30-23-11-13-25(34-5)26(17-23)35-15-14-32(3)4/h6-13,16-17H,14-15H2,1-5H3,(H,30,33)" . "C1COc2c(O1)cccc2N1CCN(CC1)C1Cc2c(C1)cccc2" . "C1COc2c(O1)cccc2N1CCN(CC1)C1Cc2c(C1)cccc2" . "QJPPEMXOOWNICQ-UHFFFAOYSA-N" . "InChI=1S/C21H24N2O2/c1-2-5-17-15-18(14-16(17)4-1)22-8-10-23(11-9-22)19-6-3-7-20-21(19)25-13-12-24-20/h1-7,18H,8-15H2" . "COc1ccc2c(c1)c(ccc2)N1CCN(CC1)CCNC(=O)c1cccs1" . "COc1ccc2c(c1)c(ccc2)N1CCN(CC1)CCNC(=O)c1cccs1" . "YFNZHCXOYLKDGU-UHFFFAOYSA-N" . "InChI=1S/C22H25N3O2S/c1-27-18-8-7-17-4-2-5-20(19(17)16-18)25-13-11-24(12-14-25)10-9-23-22(26)21-6-3-15-28-21/h2-8,15-16H,9-14H2,1H3,(H,23,26)" . "COc1ccc2c(c1)c(ccc2)N1CCN(CC1)CCNC(=O)c1ccc(cc1)F" . "COc1ccc2c(c1)c(ccc2)N1CCN(CC1)CCNC(=O)c1ccc(cc1)F" . "IFMQODYDAUKKEN-UHFFFAOYSA-N" . "InChI=1S/C24H26FN3O2/c1-30-21-10-7-18-3-2-4-23(22(18)17-21)28-15-13-27(14-16-28)12-11-26-24(29)19-5-8-20(25)9-6-19/h2-10,17H,11-16H2,1H3,(H,26,29)" . "COc1ccc2c(c1)c(c[nH]2)C1=CCNCC1" . "COc1ccc2c(c1)c(c[nH]2)C1=CCNCC1" . "KRVMLPUDAOWOGN-UHFFFAOYSA-N" . "InChI=1S/C14H16N2O/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10/h2-4,8-9,15-16H,5-7H2,1H3" . "Clc1ccc2c(c1)C1CN(CC1c1c(O2)cccc1)C" . "Clc1ccc2c(c1)[C@H]1CN(C[C@@H]1c1c(O2)cccc1)C" . "VSWBSWWIRNCQIJ-HUUCEWRRSA-N" . "InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m1/s1" . "CN(C1CCc2c(C1)c1cc(ccc1[nH]2)NC(=O)c1ccc(cc1)F)C" . "CN(C1CCc2c(C1)c1cc(ccc1[nH]2)NC(=O)c1ccc(cc1)F)C" . "GKWHICIUSVVNGX-UHFFFAOYSA-N" . "InChI=1S/C21H22FN3O/c1-25(2)16-8-10-20-18(12-16)17-11-15(7-9-19(17)24-20)23-21(26)13-3-5-14(22)6-4-13/h3-7,9,11,16,24H,8,10,12H2,1-2H3,(H,23,26)" . "CN1CCC(CC1)c1c[nH]c2c1cc(cc2)NC(=O)c1ccc(cc1)F" . "CN1CCC(CC1)c1c[nH]c2c1cc(cc2)NC(=O)c1ccc(cc1)F" . "MDMJLMDBRQXOOI-UHFFFAOYSA-N" . "InChI=1S/C21H22FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12-14,23H,8-11H2,1H3,(H,24,26)" . "CCCN(C1Cc2c[nH]c3c2c(C1)c(cc3)C(=O)C)CCC" . "CCCN([C@H]1Cc2c[nH]c3c2c(C1)c(cc3)C(=O)C)CCC" . "CKYZLYQSDNLGPT-HNNXBMFYSA-N" . "InChI=1S/C19H26N2O/c1-4-8-21(9-5-2)15-10-14-12-20-18-7-6-16(13(3)22)17(11-15)19(14)18/h6-7,12,15,20H,4-5,8-11H2,1-3H3/t15-/m0/s1" . "Nc1ccc(cc1)CCN1CCN(CC1)c1cccc(c1)C(F)(F)F" . "Nc1ccc(cc1)CCN1CCN(CC1)c1cccc(c1)C(F)(F)F" . "GAAKALASJNGQKD-UHFFFAOYSA-N" . "InChI=1S/C19H22F3N3/c20-19(21,22)16-2-1-3-18(14-16)25-12-10-24(11-13-25)9-8-15-4-6-17(23)7-5-15/h1-7,14H,8-13,23H2" . "CCN(C(=O)C1CN(C)C2C(=C1)c1cccc3c1c(C2)c[nH]3)CC" . "CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC" . "VAYOSLLFUXYJDT-RDTXWAMCSA-N" . "InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1" . "OCC(c1ccc(cc1)F)NC1CCN(CC1)CCCc1c[nH]c2c1cc(cc2)n1cnnc1" . "OC[C@@H](c1ccc(cc1)F)NC1CCN(CC1)CCCc1c[nH]c2c1cc(cc2)n1cnnc1" . "HNKDAQNYMJNLCC-SANMLTNESA-N" . "InChI=1S/C26H31FN6O/c27-21-5-3-19(4-6-21)26(16-34)31-22-9-12-32(13-10-22)11-1-2-20-15-28-25-8-7-23(14-24(20)25)33-17-29-30-18-33/h3-8,14-15,17-18,22,26,28,31,34H,1-2,9-13,16H2/t26-/m0/s1" . "NCCc1c[nH]c2c1cc(cc2)c1onc(n1)Cc1ccc(cc1)NS(=O)(=O)C" . "NCCc1c[nH]c2c1cc(cc2)c1onc(n1)Cc1ccc(cc1)NS(=O)(=O)C" . "HKXMQLISPYELRD-UHFFFAOYSA-N" . "InChI=1S/C20H21N5O3S/c1-29(26,27)25-16-5-2-13(3-6-16)10-19-23-20(28-24-19)14-4-7-18-17(11-14)15(8-9-21)12-22-18/h2-7,11-12,22,25H,8-10,21H2,1H3" . "COc1ccc(cc1N1CCN(CC1)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C" . "COc1ccc(cc1N1CCN(CC1)C)NC(=O)c1ccc(cc1)c1ccc(cc1C)c1noc(n1)C" . "YDBCEBYHYKAFRX-UHFFFAOYSA-N" . "InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)" . "COC(=O)c1cccnc1N1CCN(CC1)CCCC(c1ccc(cc1)F)c1ccc(cc1)F" . "COC(=O)c1cccnc1N1CCN(CC1)CCCC(c1ccc(cc1)F)c1ccc(cc1)F" . "NDCPNKXUTJGQQC-UHFFFAOYSA-N" . "InChI=1S/C27H29F2N3O2/c1-34-27(33)25-4-2-14-30-26(25)32-18-16-31(17-19-32)15-3-5-24(20-6-10-22(28)11-7-20)21-8-12-23(29)13-9-21/h2,4,6-14,24H,3,5,15-19H2,1H3" . "Clc1cccc(c1)N1CCN(CC1)CC(C(c1ccccc1)c1ccccc1)O" . "Clc1cccc(c1)N1CCN(CC1)CC(C(c1ccccc1)c1ccccc1)O" . "QJHCTHPYUOXOGM-UHFFFAOYSA-N" . "InChI=1S/C25H27ClN2O/c26-22-12-7-13-23(18-22)28-16-14-27(15-17-28)19-24(29)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18,24-25,29H,14-17,19H2" . "COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2" . "COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2" . "AYYCFGDXLUPJAQ-UHFFFAOYSA-N" . "InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3" . "Fc1ccc(cc1)C(CCCN1CCN(CC1)c1ncc(cn1)F)O" . "Fc1ccc(cc1)C(CCCN1CCN(CC1)c1ncc(cn1)F)O" . "ZXUYYZPJUGQHLQ-UHFFFAOYSA-N" . "InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2" . "CCCN(C1CCc2c(C1)c(O)ccc2)CCC" . "CCCN(C1CCc2c(C1)c(O)ccc2)CCC" . "ASXGJMSKWNBENU-UHFFFAOYSA-N" . "InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3" . "O=C(OCC1OC1)NCC[Si]([Si](C)(C)C)(C)C" . "O=C(OCC1OC1)NCC[Si]([Si](C)(C)C)(C)C" . "RMYUPIFLALKWOD-UHFFFAOYSA-N" . "InChI=1S/C11H25NO3Si2/c1-16(2,3)17(4,5)7-6-12-11(13)15-9-10-8-14-10/h10H,6-9H2,1-5H3,(H,12,13)" . "NCCc1c[nH]c2c1cc(O)cc2" . "NCCc1c[nH]c2c1cc(O)cc2" . "QZAYGJVTTNCVMB-UHFFFAOYSA-N" . "InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2" . "NCCc1c[nH]c2c1cc(cc2)C(=O)N" . "NCCc1c[nH]c2c1cc(cc2)C(=O)N" . "WKZLNEWVIAGNAW-UHFFFAOYSA-N" . "InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)" . "N1CCN(CC1)c1cccc2c1cccc2" . "N1CCN(CC1)c1cccc2c1cccc2" . "VNICFCQJUVFULD-UHFFFAOYSA-N" . "InChI=1S/C14H16N2/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16/h1-7,15H,8-11H2" . "CCCN1CCCC2C1Cc1cn[nH]c1C2" . "CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2" . "FTSUPYGMFAPCFZ-ZWNOBZJWSA-N" . "InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1" . "OCC1COc2c(O1)cccc2N1CCN(CC1)CCNC(=O)c1ccc(cc1)F" . "OC[C@H]1COc2c(O1)cccc2N1CCN(CC1)CCNC(=O)c1ccc(cc1)F" . "NYSDRDDQELAVKP-SFHVURJKSA-N" . "InChI=1S/C22H26FN3O4/c23-17-6-4-16(5-7-17)22(28)24-8-9-25-10-12-26(13-11-25)19-2-1-3-20-21(19)29-15-18(14-27)30-20/h1-7,18,27H,8-15H2,(H,24,28)/t18-/m0/s1" . "C[C@@H]1CN(CCN1C(=O)Cn1nc(nc1C)C)c1sc(nc1c1cnc(nc1)C(F)(F)F)C(F)(F)F" . "C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1c(c2cnc(C(F)(F)F)nc2)nc(C(F)(F)F)s1" . "JENUMEXEVAAAJX-SNVBAGLBSA-N" . "InChI=1S/C20H20F6N8OS/c1-10-8-32(4-5-33(10)14(35)9-34-12(3)29-11(2)31-34)16-15(30-18(36-16)20(24,25)26)13-6-27-17(28-7-13)19(21,22)23/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m1/s1" . "CCOC(=O)N1[C@H](CC)C[C@@H](c2c1ccc(c2)C(F)(F)F)N(c1ncc(cn1)OCCCC(=O)O)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F" . "CC[C@@H]1C[C@@H](c2c(N1C(=O)OCC)ccc(c2)C(F)(F)F)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)OCCCC(=O)O" . "NRWORBQAOQVYBJ-GJZUVCINSA-N" . "InChI=1S/C32H31F9N4O5/c1-3-22-14-26(24-13-19(30(33,34)35)7-8-25(24)45(22)29(48)49-4-2)44(28-42-15-23(16-43-28)50-9-5-6-27(46)47)17-18-10-20(31(36,37)38)12-21(11-18)32(39,40)41/h7-8,10-13,15-16,22,26H,3-6,9,14,17H2,1-2H3,(H,46,47)/t22-,26+/m1/s1" . "N#CC1(CC1)NC(=O)[C@@H]1CCCC[C@H]1c1oc(nc1c1ccc(cc1)N1CCS(=O)(=O)CC1)c1ccc(cc1)F" . "Fc1ccc(cc1)c1nc(c(o1)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc(cc1)N1CCS(=O)(=O)CC1" . "SBWFYUHMCHTQJT-JWQCQUIFSA-N" . "InChI=1S/C30H31FN4O4S/c31-22-9-5-21(6-10-22)29-33-26(20-7-11-23(12-8-20)35-15-17-40(37,38)18-16-35)27(39-29)24-3-1-2-4-25(24)28(36)34-30(19-32)13-14-30/h5-12,24-25H,1-4,13-18H2,(H,34,36)/t24-,25-/m1/s1" . "CCc1[nH]nc(c1C)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1" . "CCc1c(c(n[nH]1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1)C" . "XHHXGKRFUPEPFM-OAHLLOKOSA-N" . "InChI=1S/C17H22N4O2/c1-3-14-11(2)16(21-20-14)17(22)19-13-6-4-12(5-7-13)15-10-18-8-9-23-15/h4-7,15,18H,3,8-10H2,1-2H3,(H,19,22)(H,20,21)/t15-/m1/s1" . "FC(COc1cc2c(cc1C(=O)NC1CCC(CC1)C(F)(F)F)nc(n2C)Nc1c(Cl)ccc(c1Cl)CNC(=O)C(C)(C)C)F" . "CC(C)(C)C(=O)NCc1c(c(c(cc1)Cl)Nc1nc2c(n1C)cc(c(c2)C(=O)NC1CCC(CC1)C(F)(F)F)OCC(F)F)Cl" . "PFORUFFGGNOLPJ-UHFFFAOYSA-N" . "InChI=1S/C30H34Cl2F5N5O3/c1-29(2,3)27(44)38-13-15-5-10-19(31)25(24(15)32)41-28-40-20-11-18(22(45-14-23(33)34)12-21(20)42(28)4)26(43)39-17-8-6-16(7-9-17)30(35,36)37/h5,10-12,16-17,23H,6-9,13-14H2,1-4H3,(H,38,44)(H,39,43)(H,40,41)" . "C[C@@H](c1ccc(cc1)Nc1scc(n1)C(F)(F)F)C(=O)O" . "C[C@H](C(=O)O)c1ccc(Nc2nc(cs2)C(F)(F)F)cc1" . "OUGCUPYREMACGK-ZETCQYMHSA-N" . "InChI=1S/C13H11F3N2O2S/c1-7(11(19)20)8-2-4-9(5-3-8)17-12-18-10(6-21-12)13(14,15)16/h2-7H,1H3,(H,17,18)(H,19,20)/t7-/m0/s1" . "O=C(C(C)C)NCc1cnc(c(c1)C(=O)Nc1nc(c([nH]1)C)c1ccc(cc1)C(F)(F)F)C(F)F" . "Cc1c(nc([nH]1)NC(=O)c1c(ncc(c1)CNC(=O)C(C)C)C(F)F)c1ccc(cc1)C(F)(F)F" . "BZYSILFNUIGABU-UHFFFAOYSA-N" . "InChI=1S/C23H22F5N5O2/c1-11(2)20(34)30-10-13-8-16(18(19(24)25)29-9-13)21(35)33-22-31-12(3)17(32-22)14-4-6-15(7-5-14)23(26,27)28/h4-9,11,19H,10H2,1-3H3,(H,30,34)(H2,31,32,33,35)" . "Cc1cccc(c1)C=NNc1nc(OCCc2ccccn2)nc(c1)N1CCOCC1" . "Cc1cccc(c1)/C=N/Nc1nc(OCCc2ccccn2)nc(c1)N1CCOCC1" . "HSKAZIJJKRAJAV-KOEQRZSOSA-N" . "InChI=1S/C23H26N6O2/c1-18-5-4-6-19(15-18)17-25-28-21-16-22(29-10-13-30-14-11-29)27-23(26-21)31-12-8-20-7-2-3-9-24-20/h2-7,9,15-17H,8,10-14H2,1H3,(H,26,27,28)/b25-17+" . "O=C(c1ccc(c(c1)N1CCCC1=O)C)Nc1ccc(nc1)N1CCN(C1=O)C1CCCC1" . "Cc1c(cc(cc1)C(=O)Nc1ccc(nc1)N1CCN(C2CCCC2)C1=O)N1CCCC1=O" . "OXVLBJMDGNVORY-UHFFFAOYSA-N" . "InChI=1S/C25H29N5O3/c1-17-8-9-18(15-21(17)29-12-4-7-23(29)31)24(32)27-19-10-11-22(26-16-19)30-14-13-28(25(30)33)20-5-2-3-6-20/h8-11,15-16,20H,2-7,12-14H2,1H3,(H,27,32)" . "O=C1N(CCc2c1c1ccccc1n2C)Cc1nc[nH]c1C" . "O=C1N(CCc2c1c1ccccc1n2C)Cc1nc[nH]c1C" . "JSWZEAMFRNKZNL-UHFFFAOYSA-N" . "InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19)" . "OC(=O)CCCCCCCCOC(=O)/C=C(/C[C@@H]1OC[C@@H]([C@H]([C@H]1O)O)C[C@@H]1O[C@H]1[C@H]([C@@H](O)C)C)/C" . "OC(=O)CCCCCCCCOC(=O)/C=C(/C[C@@H]1OC[C@@H]([C@H]([C@H]1O)O)C[C@@H]1O[C@H]1[C@H]([C@@H](O)C)C)/C" . "MINDHVHHQZYEEK-HBBNESRFSA-N" . "InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1" . "Clc1ccc2c(c1)c(C(=O)c1cccs1)c(n2C(=O)N)O" . "c1csc(c1)C(=O)c1c(n(c2c1cc(cc2)Cl)C(=O)N)O" . "IZSFDUMVCVVWKW-UHFFFAOYSA-N" . "InChI=1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,19H,(H2,16,20)" . "O[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C)c1ccccc1" . "Cn1c(nnn1)SCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c2ccccc2)O)SC1)C(=O)O" . "OLVCFLKTBJRLHI-AXAPSJFSSA-N" . "InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1" . "Clc1cccc2c1c(=O)n(c(c2)C(Nc1ncnc2c1[nH]cn2)C)c1ccccc1" . "Clc1cccc2c1c(=O)n(c(c2)[C@@H](Nc1ncnc2c1[nH]cn2)C)c1ccccc1" . "SJVQHLPISAIATJ-ZDUSSCGKSA-N" . "InChI=1S/C22H17ClN6O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15/h2-13H,1H3,(H2,24,25,26,27,28)/t13-/m0/s1" . "O=Cc1c(cccc1O)OCc1cccnc1c1ccnn1C(C)C" . "O=Cc1c(cccc1O)OCc1cccnc1c1ccnn1C(C)C" . "FWCVZAQENIZVMY-UHFFFAOYSA-N" . "InChI=1S/C19H19N3O3/c1-13(2)22-16(8-10-21-22)19-14(5-4-9-20-19)12-25-18-7-3-6-17(24)15(18)11-23/h3-11,13,24H,12H2,1-2H3" . "O=C(CCc1cccc(c1)c1ccc2c(n1)n(c1ccc(cc1)C1(N)CCC1)c(n2)c1cccnc1N)NCCCCCCCCCCC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@H](c1ccc(cc1)c1scnc1C)C)O" . "O=C(NCCCCCCCCCCC(=O)N[C@@H](C(C)(C)C)C(=O)N1[C@H](C(=O)N[C@@H](C)c2ccc(c3c(C)ncs3)cc2)C[C@@H](O)C1)CCc1cc(c2nc3c(nc(c4c(N)nccc4)n3c3ccc(C4(N)CCC4)cc3)cc2)ccc1" . "XYGBNRINQSQNJG-IQDHSYJRSA-N" . "InChI=1S/C64H79N11O5S/c1-41(44-22-24-45(25-23-44)56-42(2)69-40-81-56)70-61(79)53-38-49(76)39-74(53)62(80)57(63(3,4)5)73-55(78)20-12-10-8-6-7-9-11-13-35-67-54(77)32-21-43-17-14-18-46(37-43)51-30-31-52-60(71-51)75(59(72-52)50-19-15-36-68-58(50)65)48-28-26-47(27-29-48)64(66)33-16-34-64/h14-15,17-19,22-31,36-37,40-41,49,53,57,76H,6-13,16,20-21,32-35,38-39,66H2,1-5H3,(H2,65,68)(H,67,77)(H,70,79)(H,73,78)/t41-,49+,53-,57+/m0/s1" . "OC(=O)C1N2C(=O)C(C2SC1(C)C)NC(=O)C1(N)CCCCC1" . "OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)C1(N)CCCCC1" . "HGBLNBBNRORJKI-WCABBAIRSA-N" . "InChI=1S/C15H23N3O4S/c1-14(2)9(12(20)21)18-10(19)8(11(18)23-14)17-13(22)15(16)6-4-3-5-7-15/h8-9,11H,3-7,16H2,1-2H3,(H,17,22)(H,20,21)/t8-,9+,11-/m1/s1" . "CO[C@@H]1[C@@H](OC(=O)c2ccc([nH]2)C)[C@@H](O)[C@@H](OC1(C)C)Oc1ccc2c(c1)oc(=O)c(c2O)NC(=O)c1ccc(c(c1)OC)O" . "Cc1ccc([nH]1)C(=O)O[C@H]1[C@H]([C@@H](OC([C@@H]1OC)(C)C)Oc1cc2c(cc1)c(c(c(=O)o2)NC(=O)c1cc(c(cc1)O)OC)O)O" . "JURYCYSCKRZQLD-YYZJCXNBSA-N" . "InChI=1S/C31H32N2O12/c1-14-6-10-18(32-14)28(38)44-25-24(36)30(45-31(2,3)26(25)41-5)42-16-8-9-17-20(13-16)43-29(39)22(23(17)35)33-27(37)15-7-11-19(34)21(12-15)40-4/h6-13,24-26,30,32,34-36H,1-5H3,(H,33,37)/t24-,25+,26-,30-/m1/s1" . "CC/C=C(/c1csc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)N" . "CC/C=C(/c1csc(n1)N)/C(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O" . "HJJRIJDTIPFROI-NVKITGPLSA-N" . "InChI=1S/C17H19N5O6S2/c1-2-3-8(9-6-30-16(18)20-9)12(23)21-10-13(24)22-11(15(25)26)7(4-28-17(19)27)5-29-14(10)22/h3,6,10,14H,2,4-5H2,1H3,(H2,18,20)(H2,19,27)(H,21,23)(H,25,26)/b8-3-/t10-,14-/m1/s1" . "CO/N=C(/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)/C=C/c1scnc1C)/c1csc(n1)N" . "Cc1c(scn1)/C=C/C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/OC)/c2csc(n2)N)SC1)C(=O)O" . "KMIPKYQIOVAHOP-YLGJWRNMSA-N" . "InChI=1S/C19H18N6O5S3/c1-8-11(33-7-21-8)4-3-9-5-31-17-13(16(27)25(17)14(9)18(28)29)23-15(26)12(24-30-2)10-6-32-19(20)22-10/h3-4,6-7,13,17H,5H2,1-2H3,(H2,20,22)(H,23,26)(H,28,29)/b4-3-,24-12-/t13-,17-/m1/s1" . "NCCONC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O" . "NCCONC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O" . "RSBPYSTVZQAADE-RQJHMYQMSA-N" . "InChI=1S/C9H16N4O7S/c10-3-4-19-11-8(14)7-2-1-6-5-12(7)9(15)13(6)20-21(16,17)18/h6-7H,1-5,10H2,(H,11,14)(H,16,17,18)/t6-,7+/m1/s1" . "O=C(Cc1cccs1)N[C@H]1CC[C@H](OB1O)CC(=O)O" . "O=C(Cc1cccs1)N[C@H]1CC[C@H](OB1O)CC(=O)O" . "IOOWNWLVCOUUEX-WPRPVWTQSA-N" . "InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1" . "OCC1C(OCCN1C(=O)c1ccc2c(c1)n(C)c(n2)c1c[nH]c2c1ccc(c2)C#N)c1ccccc1" . "Cn1c2c(ccc(c2)C(=O)N2CCOC(C2CO)c2ccccc2)nc1c1c[nH]c2cc(ccc12)C#N" . "BFUYKHPXWBXKQQ-UHFFFAOYSA-N" . "InChI=1S/C29H25N5O3/c1-33-25-14-20(29(36)34-11-12-37-27(26(34)17-35)19-5-3-2-4-6-19)8-10-23(25)32-28(33)22-16-31-24-13-18(15-30)7-9-21(22)24/h2-10,13-14,16,26-27,31,35H,11-12,17H2,1H3" . "NCc1ccccc1CC(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1CC(=O)O" . "C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc1ccccc1CN)C(=O)O)CSc1nnnn1CC(=O)O" . "SLAYUXIURFNXPG-CRAIPNDOSA-N" . "InChI=1S/C20H21N7O6S2/c21-6-11-4-2-1-3-10(11)5-13(28)22-15-17(31)27-16(19(32)33)12(8-34-18(15)27)9-35-20-23-24-25-26(20)7-14(29)30/h1-4,15,18H,5-9,21H2,(H,22,28)(H,29,30)(H,32,33)/t15-,18-/m1/s1" . "N#CCSCC(=O)N[C@]1(OC)C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C" . "Cn1c(nnn1)SCC1=C(N2[C@@H]([C@@](C2=O)(NC(=O)CSCC#N)OC)SC1)C(=O)O" . "SNBUBQHDYVFSQF-HIFRSBDPSA-N" . "InChI=1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1" . "CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c1ccc(cc1)O)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C" . "CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c1ccc(cc1)O)C(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)CSc1nnnn1C)C(=O)O" . "GCFBRXLSHGKWDP-XCGNWRKASA-N" . "InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22-/m1/s1" . "CO/N=C(/c1csc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nc(c(s1)CC(=O)O)C" . "Cc1c(sc(n1)SCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/OC)/c2csc(n2)N)SC1)C(=O)O)CC(=O)O" . "XDZKBRJLTGRPSS-BGZQYGJUSA-N" . "InChI=1S/C20H20N6O7S4/c1-7-10(3-11(27)28)37-20(22-7)36-5-8-4-34-17-13(16(30)26(17)14(8)18(31)32)24-15(29)12(25-33-2)9-6-35-19(21)23-9/h6,13,17H,3-5H2,1-2H3,(H2,21,23)(H,24,29)(H,27,28)(H,31,32)/b25-12-/t13-,17-/m1/s1" . "O=C1[C@@H](NC(=O)/C(=N/OC(C(=O)O)(C)C)/c2csc(n2)N)[C@@H]2N1C(=C(CS2)C[n+]1ccccc1)C(=O)[O-]" . "O=C1[C@@H](NC(=O)/C(=N/OC(C(=O)O)(C)C)/c2csc(n2)N)[C@@H]2N1C(=C(CS2)C[n+]1ccccc1)C(=O)[O-]" . "ORFOPKXBNMVMKC-DWVKKRMSSA-N" . "InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13-/t14-,18-/m1/s1" . "Nc1nc(cs1)/C(=N/OCC(=O)O)/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)C=C" . "Nc1nc(cs1)/C(=N/OCC(=O)O)/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)C=C" . "OKBVVJOGVLARMR-QSWIMTSFSA-N" . "InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1" . "CO/N=C(/c1csc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)C" . "CO/N=C(/c1csc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)C" . "GPRBEKHLDVQUJE-QSWIMTSFSA-N" . "InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1" . "NCCC(C(=O)NC1CC(N)C(C(C1OC1OC(CO)C(C(C1O)N)O)O)OC1OC(CN)CCC1N)O" . "NCC[C@@H](C(=O)N[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)N)O)O)O[C@H]1O[C@H](CN)CC[C@H]1N)O" . "MKKYBZZTJQGVCD-XTCKQBCOSA-N" . "InChI=1S/C22H44N6O10/c23-4-3-12(30)20(34)28-11-5-10(26)18(37-21-9(25)2-1-8(6-24)35-21)17(33)19(11)38-22-16(32)14(27)15(31)13(7-29)36-22/h8-19,21-22,29-33H,1-7,23-27H2,(H,28,34)/t8-,9+,10-,11+,12-,13+,14-,15+,16+,17-,18+,19-,21+,22+/m0/s1" . "CCN[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1OC(=CC[C@H]1N)CN" . "CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1[C@@H]([C@H]([C@@](CO1)(C)O)NC)O)O)O[C@@H]1[C@@H](CC=C(O1)CN)N)N" . "CIDUJQMULVCIBT-MQDUPKMGSA-N" . "InChI=1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/t11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1" . "OC(=O)C(c1ccc(cc1)Nc1scc(n1)C(F)(F)F)(C)C" . "CC(C(=O)O)(C)c1ccc(cc1)Nc1scc(n1)C(F)(F)F" . "TVKXUJXIOMUVFS-UHFFFAOYSA-N" . "InChI=1S/C14H13F3N2O2S/c1-13(2,11(20)21)8-3-5-9(6-4-8)18-12-19-10(7-22-12)14(15,16)17/h3-7H,1-2H3,(H,18,19)(H,20,21)" . "CNC(C1CCC(C(O1)OC1C(N)CC(C(C1O)OC1OCC(C(C1O)NC)(C)O)N)N)C" . "CNC(C1CCC(C(O1)OC1C(N)CC(C(C1O)OC1OCC(C(C1O)NC)(C)O)N)N)C" . "CEAZRRDELHUEMR-UHFFFAOYSA-N" . "InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3" . "N#CCC(n1ncc(c1)c1ncnc2c1cc[nH]2)C1CCCC1" . "N#CC[C@@H](n1ncc(c1)c1ncnc2c1cc[nH]2)C1CCCC1" . "HFNKQEVNSGCOJV-OAHLLOKOSA-N" . "InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1" . "OC[C@H]1O[C@H](O[C@H]2[C@H](N)C[C@@H]([C@H]([C@@H]2O)O[C@H]2O[C@H](CN)[C@H]([C@@H]([C@H]2N)O)O)N)[C@@H]([C@H]([C@@H]1O)N)O" . "C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)N)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CN)O)O)N)N" . "SKKLOUVUUNMCJE-FQSMHNGLSA-N" . "InChI=1S/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1" . "Cc1ccccc1Oc1cc(c2c(c1Cl)cccc2)n1c(=O)cc([nH]c1=O)C(F)(F)F" . "Cc1ccccc1Oc1cc(n2c(=O)[nH]c(cc2=O)C(F)(F)F)c2ccccc2c1Cl" . "UNSHMXUHOHBLIQ-UHFFFAOYSA-N" . "InChI=1S/C22H14ClF3N2O3/c1-12-6-2-5-9-16(12)31-17-10-15(13-7-3-4-8-14(13)20(17)23)28-19(29)11-18(22(24,25)26)27-21(28)30/h2-11H,1H3,(H,27,30)" . "NC(=C)c1cnn(c1C(F)(F)F)c1cccc2c1cc[nH]c2=O" . "NC(=C)c1cnn(c1C(F)(F)F)c1cccc2c1cc[nH]c2=O" . "JPUXFKNCQZIRSR-UHFFFAOYSA-N" . "InChI=1S/C15H11F3N4O/c1-8(19)11-7-21-22(13(11)15(16,17)18)12-4-2-3-10-9(12)5-6-20-14(10)23/h2-7H,1,19H2,(H,20,23)" . "OCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)CCCNC(=N)N)C)CC(C)C)C)Cc1nc[nH]c1)Cc1nc[nH]c1)Cc1ccccc1)Cc1nc[nH]c1)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(C(O)C)N)CC(C)C)CCC(=O)N)C)CO" . "CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(C(C)O)N" . "PWWMOXVVMRPYJS-UHFFFAOYSA-N" . "InChI=1S/C107H170N40O26/c1-54(2)40-69(140-98(167)82(109)59(8)150)90(159)134-67(30-31-81(108)151)99(168)146-38-18-28-79(146)101(170)144-36-16-27-78(144)97(166)130-58(7)85(154)142-75(49-148)95(164)143-76(50-149)94(163)133-65(23-13-33-122-105(112)113)87(156)131-64(22-12-32-121-104(110)111)86(155)132-66(24-14-34-123-106(114)115)88(157)137-72(44-62-47-119-52-126-62)92(161)136-70(42-60-20-10-9-11-21-60)91(160)139-73(45-63-48-120-53-127-63)93(162)138-71(43-61-46-118-51-125-61)89(158)128-56(5)84(153)141-74(41-55(3)4)100(169)147-39-19-29-80(147)102(171)145-37-17-26-77(145)96(165)129-57(6)83(152)135-68(103(172)173)25-15-35-124-107(116)117/h9-11,20-21,46-48,51-59,64-80,82,148-150H,12-19,22-45,49-50,109H2,1-8H3,(H2,108,151)(H,118,125)(H,119,126)(H,120,127)(H,128,158)(H,129,165)(H,130,166)(H,131,156)(H,132,155)(H,133,163)(H,134,159)(H,135,152)(H,136,161)(H,137,157)(H,138,162)(H,139,160)(H,140,167)(H,141,153)(H,142,154)(H,143,164)(H,172,173)(H4,110,111,121)(H4,112,113,122)(H4,114,115,123)(H4,116,117,124)" . "OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)c1c(C)onc1c1ccccc1Cl" . "OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)c1c(C)onc1c1ccccc1Cl" . "LQOLIRLGBULYKD-JKIFEVAISA-N" . "InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1" . "OC[C@@H]1[C@H](OCCN1C(=O)c1cc2c(cc1Br)nc(n2C)c1cn(c2c1ccc(c2)C#N)CC)c1ccc(cc1)F" . "CCn1cc(c2c1cc(cc2)C#N)c1nc2c(n1C)cc(c(c2)Br)C(=O)N1CCO[C@@H]([C@H]1CO)c1ccc(cc1)F" . "YWMAQKQMUXYMAZ-FQLXRVMXSA-N" . "InChI=1S/C31H27BrFN5O3/c1-3-37-16-23(21-9-4-18(15-34)12-26(21)37)30-35-25-14-24(32)22(13-27(25)36(30)2)31(40)38-10-11-41-29(28(38)17-39)19-5-7-20(33)8-6-19/h4-9,12-14,16,28-29,39H,3,10-11,17H2,1-2H3/t28-,29-/m1/s1" . "CO/N=C(/c1csc(n1)N)/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)COC" . "CO/N=C(/c1csc(n1)N)/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)COC" . "WYUSVOMTXWRGEK-HBWVYFAYSA-N" . "InChI=1S/C15H17N5O6S2/c1-25-3-6-4-27-13-9(12(22)20(13)10(6)14(23)24)18-11(21)8(19-26-2)7-5-28-15(16)17-7/h5,9,13H,3-4H2,1-2H3,(H2,16,17)(H,18,21)(H,23,24)/b19-8-/t9-,13-/m1/s1" . "CON=C(c1csc(n1)N)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nc(=O)c(=O)[nH]n1C" . "CO/N=C(/c1csc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nc(=O)c(=O)[nH]n1C" . "VAAUVRVFOQPIGI-SPQHTLEESA-N" . "InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1" . "O=C(Cc1ccccc1)NC1C(=O)N2C1SC(C2C(=O)O)(C)C" . "O=C(Cc1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C" . "JGSARLDLIJGVTE-MBNYWOFBSA-N" . "InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1" . "NCC1=CC[C@H]([C@H](O1)O[C@@H]1[C@@H](N)C[C@H]([C@@H]([C@H]1O)O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)N)N" . "NCC1=CC[C@H]([C@H](O1)O[C@@H]1[C@@H](N)C[C@H]([C@@H]([C@H]1O)O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)N)N" . "URWAJWIAIPFPJE-YFMIWBNJSA-N" . "InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1" . "CO[C@]1(CCOc2c1cc(Cl)cc2)C(=O)Nc1cncc2c1cccc2" . "CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc1cncc2ccccc12" . "FRAUGLSYTUOOAF-FQEVSTJZSA-N" . "InChI=1S/C20H17ClN2O3/c1-25-20(8-9-26-18-7-6-14(21)10-16(18)20)19(24)23-17-12-22-11-13-4-2-3-5-15(13)17/h2-7,10-12H,8-9H2,1H3,(H,23,24)/t20-/m0/s1" . "N[C@H](C1=CCC=CC1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C" . "N[C@H](C1=CCC=CC1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C" . "RPBAFSBGYDKNRG-NJBDSQKTSA-N" . "InChI=1S/C16H21N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-4,7,9-11,14H,5-6,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1" . "CCOc1ccc2c(c1C(=O)N[C@@H]1C(=O)N3[C@@H]1SC([C@@H]3C(=O)O)(C)C)cccc2" . "CCOc1ccc2c(c1C(=O)N[C@@H]1C(=O)N3[C@@H]1SC([C@@H]3C(=O)O)(C)C)cccc2" . "GPXLMGHLHQJAGZ-JTDSTZFVSA-N" . "InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/t15-,16+,19-/m1/s1" . "O/N=C(/c1nsc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)/C=C/1/CCN(C1=O)[C@H]1CNCC1" . "O/N=C(/c1nsc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)/C=C/1/CCN(C1=O)[C@H]1CNCC1" . "VOAZJEPQLGBXGO-SDAWRPRTSA-N" . "InChI=1S/C20H22N8O6S2/c21-20-24-14(26-36-20)11(25-34)15(29)23-12-17(31)28-13(19(32)33)9(7-35-18(12)28)5-8-2-4-27(16(8)30)10-1-3-22-6-10/h5,10,12,18,22,34H,1-4,6-7H2,(H,23,29)(H,32,33)(H2,21,24,26)/b8-5+,25-11-/t10-,12-,18-/m1/s1" . "CO[C@@]1(NC(=O)C(c2cscc2)C(=O)O)C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C" . "CO[C@@]1(NC(=O)C(c2cscc2)C(=O)O)C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C" . "BVCKFLJARNKCSS-DWPRYXJFSA-N" . "InChI=1S/C16H18N2O7S2/c1-15(2)9(12(22)23)18-13(24)16(25-3,14(18)27-15)17-10(19)8(11(20)21)7-4-5-26-6-7/h4-6,8-9,14H,1-3H3,(H,17,19)(H,20,21)(H,22,23)/t8?,9-,14+,16-/m0/s1" . "Cc1cc(ccc1Oc1ccc(cc1)S(=O)(=O)C(F)(F)F)n1c(=O)[nH]c(=O)n(c1=O)C" . "Cc1c(ccc(c1)n1c(=O)[nH]c(=O)n(c1=O)C)Oc1ccc(cc1)S(=O)(=O)C(F)(F)F" . "VBUNOIXRZNJNAD-UHFFFAOYSA-N" . "InChI=1S/C18H14F3N3O6S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)30-12-4-6-13(7-5-12)31(28,29)18(19,20)21/h3-9H,1-2H3,(H,22,25,26)" . "OC[C@H]1O[C@H]([C@@H]([C@@H]1O[C@H]1O[C@@H](CN)[C@H]([C@@H]([C@H]1N)O)O)O)O[C@@H]1[C@@H](O)[C@H](N)C[C@@H]([C@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1N)O)O)N" . "C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)N)O[C@H]1[C@@H]([C@@H]([C@H](O1)CO)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CN)O)O)N)O)O)N" . "UOZODPSAJZTQNH-LSWIJEOBSA-N" . "InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1" . "C#Cc1c(F)ccc2c1c(cc(c2)O)c1ncc2c(c1F)nc(nc2N1C[C@@H]2CC[C@H](C1)N2)OC[C@]12CCCN2C[C@@H](C1)F" . "[C@H]12CN(C[C@H](CC1)N2)c1c2c(nc(n1)OC[C@@]13CCCN1C[C@@H](C3)F)c(c(nc2)c1cc(cc2ccc(c(c12)C#C)F)O)F" . "SCLLZBIBSFTLIN-INOGPEIASA-N" . "InChI=1S/C33H31F3N6O2/c1-2-23-26(35)7-4-18-10-22(43)11-24(27(18)23)29-28(36)30-25(13-37-29)31(41-15-20-5-6-21(16-41)38-20)40-32(39-30)44-17-33-8-3-9-42(33)14-19(34)12-33/h1,4,7,10-11,13,19-21,38,43H,3,5-6,8-9,12,14-17H2/t19-,20-,21+,33+/m1/s1" . "CN1CC[C@H](C1)Oc1ccc(c(c1Cl)c1nc2c(o1)C(=O)c1c(C2=O)cccc1)F" . "O=C1c2c(oc(c3c(F)ccc(O[C@@H]4CCN(C)C4)c3Cl)n2)C(=O)c2c1cccc2" . "HXIYHNFNCGXLAU-LLVKDONJSA-N" . "InChI=1S/C22H16ClFN2O4/c1-26-9-8-11(10-26)29-15-7-6-14(24)16(17(15)23)22-25-18-19(27)12-4-2-3-5-13(12)20(28)21(18)30-22/h2-7,11H,8-10H2,1H3/t11-/m1/s1" . "Ic1ccc(cc1)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2Br" . "Ic1ccc(cc1)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2Br" . "FZLKVWWPFOLPKF-UHFFFAOYSA-N" . "InChI=1S/C19H18BrIN4O2/c20-15-2-1-3-16-17(15)23-19(27)25(16)14-8-10-24(11-9-14)18(26)22-13-6-4-12(21)5-7-13/h1-7,14H,8-11H2,(H,22,26)(H,23,27)" . "O=C1c2oc(nc2C(=O)c2c1cccc2)c1ccccc1" . "c1ccc(cc1)c1nc2c(o1)C(=O)c1ccccc1C2=O" . "CMYQQADDUUDCCA-UHFFFAOYSA-N" . "InChI=1S/C17H9NO3/c19-14-11-8-4-5-9-12(11)15(20)16-13(14)18-17(21-16)10-6-2-1-3-7-10/h1-9H" . "COc1ncnc(c1c1ncc2c(n1)n(nc2)Cc1ccc(cc1)c1nc(cn1C(C)C)C(F)(F)F)C1CC1" . "COc1ncnc(C2CC2)c1c1nc2c(cnn2Cc2ccc(cc2)c2nc(cn2C(C)C)C(F)(F)F)cn1" . "KCBWAFJCKVKYHO-UHFFFAOYSA-N" . "InChI=1S/C27H25F3N8O/c1-15(2)37-13-20(27(28,29)30)35-24(37)18-6-4-16(5-7-18)12-38-25-19(11-34-38)10-31-23(36-25)21-22(17-8-9-17)32-14-33-26(21)39-3/h4-7,10-11,13-15,17H,8-9,12H2,1-3H3" . "CC(C[C@@H](C(=O)N[C@H](C(S(=O)(=O)O)O)C[C@@H]1CCNC1=O)NC(=O)OCc1cccc(c1)C(F)(F)F)C" . "CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc1cc(ccc1)C(F)(F)F" . "SOKKEQHRVRNCKI-YQASGENESA-N" . "InChI=1S/C22H30F3N3O8S/c1-12(2)8-16(28-21(32)36-11-13-4-3-5-15(9-13)22(23,24)25)19(30)27-17(20(31)37(33,34)35)10-14-6-7-26-18(14)29/h3-5,9,12,14,16-17,20,31H,6-8,10-11H2,1-2H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t14-,16-,17-,20?/m0/s1" . "O=C([C@@H]1CCOc2c1cc(Cl)cc2)Nc1cncc2c1cccc2" . "C1COc2c([C@@H]1C(=O)Nc1cncc3ccccc13)cc(cc2)Cl" . "QRUNNMAOPKEFMJ-OAHLLOKOSA-N" . "InChI=1S/C19H15ClN2O2/c20-13-5-6-18-16(9-13)15(7-8-24-18)19(23)22-17-11-21-10-12-3-1-2-4-14(12)17/h1-6,9-11,15H,7-8H2,(H,22,23)/t15-/m1/s1" . "COCc1nn(cc1C(=O)NCc1nccc(c1F)OC)Cc1ccc(cc1)Cn1ccccc1=O" . "COCc1nn(cc1C(=O)NCc1nccc(c1F)OC)Cc1ccc(cc1)Cn1ccccc1=O" . "KGMPDQIYDKKXRD-UHFFFAOYSA-N" . "InChI=1S/C26H26FN5O4/c1-35-17-22-20(26(34)29-13-21-25(27)23(36-2)10-11-28-21)16-32(30-22)15-19-8-6-18(7-9-19)14-31-12-4-3-5-24(31)33/h3-12,16H,13-15,17H2,1-2H3,(H,29,34)" . "COCc1nn(cc1C(=O)NCc1nccc(c1F)OC)Cc1ccc(cc1)Cn1ccccc1=O" . "COCc1nn(cc1C(=O)NCc1nccc(c1F)OC)Cc1ccc(cc1)Cn1ccccc1=O" . "KGMPDQIYDKKXRD-UHFFFAOYSA-N" . "InChI=1S/C26H26FN5O4/c1-35-17-22-20(26(34)29-13-21-25(27)23(36-2)10-11-28-21)16-32(30-22)15-19-8-6-18(7-9-19)14-31-12-4-3-5-24(31)33/h3-12,16H,13-15,17H2,1-2H3,(H,29,34)" . "CC(Nc1ncc(c(=O)n1C)c1ccc(c(n1)C)Oc1ccnc(c1)c1cnn(c1)C)C" . "CC(Nc1ncc(c(=O)n1C)c1ccc(c(n1)C)Oc1ccnc(c1)c1cnn(c1)C)C" . "TVGAHWWPABTBCX-UHFFFAOYSA-N" . "InChI=1S/C23H25N7O2/c1-14(2)27-23-25-12-18(22(31)30(23)5)19-6-7-21(15(3)28-19)32-17-8-9-24-20(10-17)16-11-26-29(4)13-16/h6-14H,1-5H3,(H,25,27)" . "ONc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COC(=O)C(C)C" . "ONc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COC(=O)C(C)C" . "HTNPEHXGEKVIHG-QCNRFFRDSA-N" . "InChI=1S/C13H19N3O7/c1-6(2)12(19)22-5-7-9(17)10(18)11(23-7)16-4-3-8(15-21)14-13(16)20/h3-4,6-7,9-11,17-18,21H,5H2,1-2H3,(H,14,15,20)/t7-,9-,10-,11-/m1/s1" . "Cc1nc(C#Cc2ccc3c(c2)oc2c3C(=O)c3c(C2(C)C)cc(cc3)NS(=O)(=O)C)cc(c1)C(=O)NC(C)(C)C" . "Cc1cc(cc(n1)C#Cc1ccc2c3C(=O)c4ccc(NS(=O)(=O)C)cc4C(C)(C)c3oc2c1)C(=O)NC(C)(C)C" . "DCGOHGQJHJXBGW-UHFFFAOYSA-N" . "InChI=1S/C32H31N3O5S/c1-18-14-20(30(37)34-31(2,3)4)16-21(33-18)10-8-19-9-12-24-26(15-19)40-29-27(24)28(36)23-13-11-22(35-41(7,38)39)17-25(23)32(29,5)6/h9,11-17,35H,1-7H3,(H,34,37)" . "CC(C[C@@H](C(=O)NN(C(=O)[C@@H](Cl)F)C[C@@H]1CCNC1=O)NC(=O)c1cc2c([nH]1)cccc2F)C" . "O=C(NN(C(=O)[C@H](F)Cl)C[C@@H]1CCNC1=O)[C@H](CC(C)C)NC(=O)c1cc2c(F)cccc2[nH]1" . "AZMUHUYPUWGKJR-IWEFOYFVSA-N" . "InChI=1S/C22H26ClF2N5O4/c1-11(2)8-16(28-20(32)17-9-13-14(24)4-3-5-15(13)27-17)21(33)29-30(22(34)18(23)25)10-12-6-7-26-19(12)31/h3-5,9,11-12,16,18,27H,6-8,10H2,1-2H3,(H,26,31)(H,28,32)(H,29,33)/t12-,16-,18-/m0/s1" . "CNc1nc(NC2CCN(CC2)Cc2ccc3c(c2C)cc(n3C[C@@H](N2CCN(CC2)S(=O)(=O)C)C)C#N)c2c(n1)sc(c2)CC(F)(F)F" . "Cc1c(ccc2c1cc(n2C[C@H](C)N1CCN(CC1)S(=O)(=O)C)C#N)CN1CCC(CC1)Nc1c2cc(sc2nc(n1)NC)CC(F)(F)F" . "BGGALFIXXQOTPY-NRFANRHFSA-N" . "InChI=1S/C33H42F3N9O2S2/c1-21(43-11-13-44(14-12-43)49(4,46)47)19-45-25(18-37)15-27-22(2)23(5-6-29(27)45)20-42-9-7-24(8-10-42)39-30-28-16-26(17-33(34,35)36)48-31(28)41-32(38-3)40-30/h5-6,15-16,21,24H,7-14,17,19-20H2,1-4H3,(H2,38,39,40,41)/t21-/m0/s1" . "O=C(Nc1cc(cc(c1C)Cl)S(=O)(=O)O)NC[C@@H](C(=O)O)N" . "Cc1c(cc(cc1Cl)S(=O)(=O)O)NC(=O)NC[C@@H](C(=O)O)N" . "LHEYGVSDVBEYQF-QMMMGPOBSA-N" . "InChI=1S/C11H14ClN3O6S/c1-5-7(12)2-6(22(19,20)21)3-9(5)15-11(18)14-4-8(13)10(16)17/h2-3,8H,4,13H2,1H3,(H,16,17)(H2,14,15,18)(H,19,20,21)/t8-/m0/s1" . "N[C@H](C(=O)N1Cc2c(C1)cccc2)C1CCC(CC1)N1CCCC1" . "C1CCN(C1)C1CCC(CC1)[C@@H](C(=O)N1Cc2ccccc2C1)N" . "SYXDQNGJEXFDND-PPSBMQLTSA-N" . "InChI=1S/C20H29N3O/c21-19(15-7-9-18(10-8-15)22-11-3-4-12-22)20(24)23-13-16-5-1-2-6-17(16)14-23/h1-2,5-6,15,18-19H,3-4,7-14,21H2/t15?,18?,19-/m0/s1" . "CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(n1)n(nc2Br)c1ccc(cc1)c1nnc(s1)C" . "Brc1nn(c2ccc(c3nnc(C)s3)cc2)c2c1cnc(N[C@@H]1CC[C@](C(=O)NC)(C)C1)n2" . "ASGMFNBUXDJWJJ-JLCFBVMHSA-N" . "InChI=1S/C22H23BrN8OS/c1-12-28-29-19(33-12)13-4-6-15(7-5-13)31-18-16(17(23)30-31)11-25-21(27-18)26-14-8-9-22(2,10-14)20(32)24-3/h4-7,11,14H,8-10H2,1-3H3,(H,24,32)(H,25,26,27)/t14-,22-/m1/s1" . "O=C(N1CCCC1)Nc1cccc(c1)Nc1ncc(c(n1)NCCCNC(=O)c1cccs1)I" . "O=C(N1CCCC1)Nc1cccc(c1)Nc1ncc(c(n1)NCCCNC(=O)c1cccs1)I" . "VAVXGGRQQJZYBL-UHFFFAOYSA-N" . "InChI=1S/C23H26IN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30)" . "NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccccc1)C)CCC(=O)O)CO)C(C)C)CC(=O)N)C(O)C)C(C)C)Cc1ccccc1)CC(=O)N)CC(=O)O)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(C(C)C)N)Cc1nc[nH]c1)CCCN=C(N)N)CC(C)C)C)CC(C)C)CC(C)C)CO)CCCN=C(N)N)CO" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)C)CCC(=O)O)CO)C(C)C)CC(=O)N)[C@H](O)C)C(C)C)Cc1ccccc1)CC(=O)N)CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](C(C)C)N)Cc1nc[nH]c1)CCCN=C(N)N)CC(C)C)C)CC(C)C)CC(C)C)CO)CCCN=C(N)N)CO" . "FENOOIMBDDRVMP-QZMRZBIOSA-N" . "InChI=1S/C138H223N41O42/c1-64(2)46-83(157-99(188)58-151-111(195)72(17)155-118(202)84(47-65(3)4)163-116(200)80(37-29-43-148-137(143)144)159-121(205)87(51-78-55-147-63-154-78)168-134(218)110(75(20)184)178-129(213)104(142)67(7)8)119(203)164-85(48-66(5)6)120(204)172-94(62-182)127(211)160-81(38-30-44-149-138(145)146)117(201)171-92(60-180)113(197)152-56-98(187)150-57-101(190)173-106(69(11)12)132(216)175-107(70(13)14)131(215)162-79(36-27-28-42-139)115(199)167-90(54-103(193)194)123(207)166-88(52-96(140)185)122(206)165-86(49-76-32-23-21-24-33-76)124(208)176-108(71(15)16)135(219)179-45-31-39-95(179)128(212)177-109(74(19)183)133(217)169-89(53-97(141)186)125(209)174-105(68(9)10)130(214)153-59-100(189)158-93(61-181)126(210)161-82(40-41-102(191)192)114(198)156-73(18)112(196)170-91(136(220)221)50-77-34-25-22-26-35-77/h21-26,32-35,55,63-75,79-95,104-110,180-184H,27-31,36-54,56-62,139,142H2,1-20H3,(H2,140,185)(H2,141,186)(H,147,154)(H,150,187)(H,151,195)(H,152,197)(H,153,214)(H,155,202)(H,156,198)(H,157,188)(H,158,189)(H,159,205)(H,160,211)(H,161,210)(H,162,215)(H,163,200)(H,164,203)(H,165,206)(H,166,207)(H,167,199)(H,168,218)(H,169,217)(H,170,196)(H,171,201)(H,172,204)(H,173,190)(H,174,209)(H,175,216)(H,176,208)(H,177,212)(H,178,213)(H,191,192)(H,193,194)(H,220,221)(H4,143,144,148)(H4,145,146,149)/t72-,73-,74+,75+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,104-,105-,106-,107-,108-,109-,110-/m0/s1" . "C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2c3c1[nH]c(=O)n(c3ccn2)c1cnc(cc1C)CC(C)C" . "C=CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1sc2nccc3c2c1[nH]c(=O)n3c1cnc(cc1C)CC(C)C" . "OPLNLPWGEZNZFL-ZWKOTPCHSA-N" . "InChI=1S/C27H30N6O3S/c1-5-21(34)30-17-7-6-8-18(17)31-25(35)24-23-22-19(9-10-28-26(22)37-24)33(27(36)32-23)20-13-29-16(11-14(2)3)12-15(20)4/h5,9-10,12-14,17-18H,1,6-8,11H2,2-4H3,(H,30,34)(H,31,35)(H,32,36)/t17-,18+/m0/s1" . "Clc1ccc2c(c1)C(=NCC(=S)N2CC(F)(F)F)c1ccccc1F" . "Clc1ccc2c(c1)C(=NCC(=S)N2CC(F)(F)F)c1ccccc1F" . "IKMPWMZBZSAONZ-UHFFFAOYSA-N" . "InChI=1S/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2" . "Clc1ccc2c(c1)C(=NC(C(=O)N2C)O)c1ccccc1" . "Clc1ccc2c(c1)C(=NC(C(=O)N2C)O)c1ccccc1" . "SEQDDYPDSLOBDC-UHFFFAOYSA-N" . "InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3" . "CCC(C(=O)N(Cc1cc(F)cc(c1)F)O)(C)C" . "CCC(C)(C)C(=O)N(O)Cc1cc(F)cc(F)c1" . "SQPMQJPGOUAGHC-UHFFFAOYSA-N" . "InChI=1S/C13H17F2NO2/c1-4-13(2,3)12(17)16(18)8-9-5-10(14)7-11(15)6-9/h5-7,18H,4,8H2,1-3H3" . "OC[C@@H](Cn1ccc(n1)NC(=O)[C@@H](N1CC(=CC1=O)Oc1ccccc1Cl)CC(C)C)O" . "CC(C)C[C@@H](C(=O)Nc1nn(cc1)C[C@H](CO)O)N1CC(=CC1=O)Oc1ccccc1Cl" . "HMUMWSORCUWQJO-QAPCUYQASA-N" . "InChI=1S/C22H27ClN4O5/c1-14(2)9-18(22(31)24-20-7-8-26(25-20)11-15(29)13-28)27-12-16(10-21(27)30)32-19-6-4-3-5-17(19)23/h3-8,10,14-15,18,28-29H,9,11-13H2,1-2H3,(H,24,25,31)/t15-,18+/m1/s1" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)N)CC(C)C)[C@H](CC)C)CO)CC(=O)N)CC(C)C)Cc1ccc(cc1)O)CCCCN)CCCCN)C(C)C)C)CCSC)CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1[nH]cnc1)N)CO)CC(=O)O)C)Cc1ccccc1)CC(=O)O)CC(=O)N)Cc1ccc(cc1)O)CCCNC(=N)N)CC(C)C)CCCNC(=N)N" . "NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)N)CC(C)C)[C@H](CC)C)CO)CC(=O)N)CC(C)C)Cc1ccc(cc1)O)CCCCN)CCCCN)C(C)C)C)CCSC)CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1[nH]cnc1)N)CO)CC(=O)O)C)Cc1ccccc1)CC(=O)O)CC(=O)N)Cc1ccc(cc1)O)CCCNC(=N)N)CC(C)C)CCCNC(=N)N" . "VBUWHHLIZKOSMS-RIWXPGAOSA-N" . "InChI=1S/C147H237N43O43S/c1-18-75(12)115(142(229)180-96(56-72(6)7)131(218)183-104(145(232)233)63-110(155)200)188-139(226)106(68-192)185-134(221)101(62-109(154)199)177-130(217)95(55-71(4)5)174-132(219)97(58-81-37-41-84(195)42-38-81)175-125(212)88(33-23-26-49-149)167-123(210)89(34-24-27-50-150)171-140(227)113(73(8)9)186-118(205)76(13)164-121(208)93(47-53-234-17)170-127(214)92(45-46-107(152)197)169-122(209)87(32-22-25-48-148)166-124(211)90(35-28-51-161-146(156)157)168-129(216)94(54-70(2)3)173-126(213)91(36-29-52-162-147(158)159)172-143(230)116(78(15)193)189-136(223)98(59-82-39-43-85(196)44-40-82)176-133(220)100(61-108(153)198)178-135(222)103(65-112(203)204)182-144(231)117(79(16)194)190-137(224)99(57-80-30-20-19-21-31-80)181-141(228)114(74(10)11)187-119(206)77(14)165-128(215)102(64-111(201)202)179-138(225)105(67-191)184-120(207)86(151)60-83-66-160-69-163-83/h19-21,30-31,37-44,66,69-79,86-106,113-117,191-196H,18,22-29,32-36,45-65,67-68,148-151H2,1-17H3,(H2,152,197)(H2,153,198)(H2,154,199)(H2,155,200)(H,160,163)(H,164,208)(H,165,215)(H,166,211)(H,167,210)(H,168,216)(H,169,209)(H,170,214)(H,171,227)(H,172,230)(H,173,213)(H,174,219)(H,175,212)(H,176,220)(H,177,217)(H,178,222)(H,179,225)(H,180,229)(H,181,228)(H,182,231)(H,183,218)(H,184,207)(H,185,221)(H,186,205)(H,187,206)(H,188,226)(H,189,223)(H,190,224)(H,201,202)(H,203,204)(H,232,233)(H4,156,157,161)(H4,158,159,162)/t75-,76-,77-,78+,79+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,113-,114-,115-,116-,117-/m0/s1" . "CCOC(=O)c1ncn2c1CN(C)C(=O)c1c2ccc(c1)F" . "CCOC(=O)c1ncn2c1CN(C)C(=O)c1c2ccc(c1)F" . "OFBIFZUFASYYRE-UHFFFAOYSA-N" . "InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3" . "Cc1ccc(cc1)c1nc2n(c1CC(=O)N(C)C)cc(cc2)C" . "Cc1ccc(cc1)c1nc2n(c1CC(=O)N(C)C)cc(cc2)C" . "ZAFYATHCZYHLPB-UHFFFAOYSA-N" . "InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3" . "Clc1ccc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1" . "Clc1ccc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1" . "VREFGVBLTWBCJP-UHFFFAOYSA-N" . "InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3" . "CNC1=Nc2ccc(cc2C(=[N+](C1)[O-])c1ccccc1)Cl" . "CNC1=Nc2ccc(cc2C(=[N+](C1)[O-])c1ccccc1)Cl" . "ANTSCNMPPGJYLG-UHFFFAOYSA-N" . "InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)" . "Clc1ccc2c(c1)N(C(=O)CC(=O)N2C)c1ccccc1" . "Clc1ccc2c(c1)N(C(=O)CC(=O)N2C)c1ccccc1" . "CXOXHMZGEKVPMT-UHFFFAOYSA-N" . "InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3" . "O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1Cl" . "O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1Cl" . "DGBIGWXXNGSACT-UHFFFAOYSA-N" . "InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)" . "OC(=O)C1N=C(c2ccccc2)c2c(NC1=O)ccc(c2)Cl" . "OC(=O)C1N=C(c2ccccc2)c2c(NC1=O)ccc(c2)Cl" . "XDDJGVMJFWAHJX-UHFFFAOYSA-N" . "InChI=1S/C16H11ClN2O3/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12/h1-8,14H,(H,18,20)(H,21,22)" . "Clc1ccc2c(c1)C(=NCc1n2cnn1)c1ccccc1" . "Clc1ccc2c(c1)C(=NCc1n2cnn1)c1ccccc1" . "CDCHDCWJMGXXRH-UHFFFAOYSA-N" . "InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2" . "CCN(CCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1F)CC" . "CCN(CCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1F)CC" . "SAADBVWGJQAEFS-UHFFFAOYSA-N" . "InChI=1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3" . "Clc1ccc2c(c1)C(=NC(C(=O)N2)O)c1ccccc1Cl" . "Clc1ccc2c(c1)C(=NC(C(=O)N2)O)c1ccccc1Cl" . "DIWRORZWFLOCLC-UHFFFAOYSA-N" . "InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)" . "Clc1ccc2c(c1)C(=NCc1n2c(C)nc1)c1ccccc1F" . "Clc1ccc2c(c1)C(=NCc1n2c(C)nc1)c1ccccc1F" . "DDLIGBOFAVUZHB-UHFFFAOYSA-N" . "InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3" . "Clc1ccc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl" . "Clc1ccc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl" . "JOFWLTCLBGQGBO-UHFFFAOYSA-N" . "InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3" . "CN1CCN(CC1)C(=O)OC1c2nccnc2C(=O)N1c1ccc(cn1)Cl" . "CN1CCN(CC1)C(=O)O[C@H]1c2nccnc2C(=O)N1c1ccc(cn1)Cl" . "GBBSUAFBMRNDJC-INIZCTEOSA-N" . "InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/t16-/m0/s1" . "Clc1ccc2c(c1)C(=NC(C(=O)N2C)O)c1ccccc1Cl" . "Clc1ccc2c(c1)C(=NC(C(=O)N2C)O)c1ccccc1Cl" . "FJIKWRGCXUCUIG-UHFFFAOYSA-N" . "InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3" . "CCOc1cccnc1Oc1cncc(c1)c1ncc(cn1)C(=O)N[C@@H]1COCC1" . "CCOc1cccnc1Oc1cncc(c1)c1ncc(cn1)C(=O)N[C@H]1CCOC1" . "UKBQFBRPXKGJPY-INIZCTEOSA-N" . "InChI=1S/C21H21N5O4/c1-2-29-18-4-3-6-23-21(18)30-17-8-14(9-22-12-17)19-24-10-15(11-25-19)20(27)26-16-5-7-28-13-16/h3-4,6,8-12,16H,2,5,7,13H2,1H3,(H,26,27)/t16-/m0/s1" . "COc1ccccc1[C@H](Cn1c(=O)n(c(=O)c2c1sc(c2C)c1ncco1)C(C(=O)O)(C)C)OC1CCOCC1" . "COc1ccccc1[C@H](Cn1c(=O)n(c(=O)c2c1sc(c2C)c1ncco1)C(C(=O)O)(C)C)OC1CCOCC1" . "ZZWWXIBKLBMSCS-FQEVSTJZSA-N" . "InChI=1S/C28H31N3O8S/c1-16-21-24(32)31(28(2,3)26(33)34)27(35)30(25(21)40-22(16)23-29-11-14-38-23)15-20(39-17-9-12-37-13-10-17)18-7-5-6-8-19(18)36-4/h5-8,11,14,17,20H,9-10,12-13,15H2,1-4H3,(H,33,34)/t20-/m0/s1" . "COc1cc(cc(n1)c1ccc(cc1)C(=O)O)C(=O)N1CCC2(CC1)CC(=O)c1c(C2)cnn1C(C)C" . "CC(C)n1c2c(CC3(CCN(CC3)C(=O)c3cc(nc(c3)OC)c3ccc(cc3)C(=O)O)CC2=O)cn1" . "LXZMHBHEXAELHH-UHFFFAOYSA-N" . "InChI=1S/C28H30N4O5/c1-17(2)32-25-21(16-29-32)14-28(15-23(25)33)8-10-31(11-9-28)26(34)20-12-22(30-24(13-20)37-3)18-4-6-19(7-5-18)27(35)36/h4-7,12-13,16-17H,8-11,14-15H2,1-3H3,(H,35,36)" . "O=C1Nc2c(CC[C@@H]1NC(=O)c1n[nH]c(n1)Cc1ccccc1)cc(cc2F)F" . "C1Cc2c(c(cc(c2)F)F)NC(=O)[C@H]1NC(=O)c1n[nH]c(n1)Cc1ccccc1" . "ATQAGKAMBISZQM-HNNXBMFYSA-N" . "InChI=1S/C20H17F2N5O2/c21-13-9-12-6-7-15(19(28)25-17(12)14(22)10-13)23-20(29)18-24-16(26-27-18)8-11-4-2-1-3-5-11/h1-5,9-10,15H,6-8H2,(H,23,29)(H,25,28)(H,24,26,27)/t15-/m0/s1" . "O=C(N1CCOCC1)[C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1c2ccccc2cc2c1cccc2" . "C1C[C@H](CN(C1)C1CCN(CC1)C(=O)c1c2ccccc2cc2ccccc12)C(=O)N1CCOCC1" . "LDQKDRLEMKIYMC-XMMPIXPASA-N" . "InChI=1S/C30H35N3O3/c34-29(32-16-18-36-19-17-32)24-8-5-13-33(21-24)25-11-14-31(15-12-25)30(35)28-26-9-3-1-6-22(26)20-23-7-2-4-10-27(23)28/h1-4,6-7,9-10,20,24-25H,5,8,11-19,21H2/t24-/m1/s1" . "CCOC1(CCN(CC1)C(C)C)c1ccc(nc1)c1cn2c(c1)c(ccn2)N1CCN(CC1)C(=O)O[C@H]1COCC1" . "C(C)OC1(CCN(CC1)C(C)C)c1ccc(nc1)c1cc2n(nccc2N2CCN(CC2)C(=O)O[C@H]2COCC2)c1" . "SWVYYNLRVIYURK-AREMUKBSSA-N" . "InChI=1S/C31H42N6O4/c1-4-40-31(9-12-34(13-10-31)23(2)3)25-5-6-27(32-20-25)24-19-29-28(7-11-33-37(29)21-24)35-14-16-36(17-15-35)30(38)41-26-8-18-39-22-26/h5-7,11,19-21,23,26H,4,8-10,12-18,22H2,1-3H3/t26-/m1/s1" . "N#Cc1ccc2c(c1)[nH]c1c2C(=O)c2c(C1(C)C)cc(c(c2)CC)N1CCN(CC1)C(=O)CCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O" . "CCc1cc2c(cc1N1CCN(CC1)C(=O)CCNc1cccc3c1C(=O)N(C3=O)C1CCC(=O)NC1=O)C(c1c(C2=O)c2c([nH]1)cc(cc2)C#N)(C)C" . "NOXFUEOAHHPSKW-UHFFFAOYSA-N" . "InChI=1S/C41H39N7O6/c1-4-23-19-26-27(41(2,3)37-35(36(26)51)24-9-8-22(21-42)18-29(24)44-37)20-31(23)46-14-16-47(17-15-46)33(50)12-13-43-28-7-5-6-25-34(28)40(54)48(39(25)53)30-10-11-32(49)45-38(30)52/h5-9,18-20,30,43-44H,4,10-17H2,1-3H3,(H,45,49,52)" . "COc1cc2c(ccnc2cc1OCCCN1CCOCC1)Oc1ccc(cc1F)Nc1nn(cc1C(=O)NC1CCCCC1)C" . "COc1c(OCCCN2CCOCC2)cc2nccc(Oc3c(F)cc(Nc4nn(C)cc4C(=O)NC4CCCCC4)cc3)c2c1" . "QBRQTJMZEYORSP-UHFFFAOYSA-N" . "InChI=1S/C34H41FN6O5/c1-40-22-26(34(42)38-23-7-4-3-5-8-23)33(39-40)37-24-9-10-30(27(35)19-24)46-29-11-12-36-28-21-32(31(43-2)20-25(28)29)45-16-6-13-41-14-17-44-18-15-41/h9-12,19-23H,3-8,13-18H2,1-2H3,(H,37,39)(H,38,42)" . "N[C@H](c1ccccc1)C(=O)N[C@H]1[C@H]2CCC(=C(N2C1=O)C(=O)O)Cl" . "C1CC(=C(N2[C@H]1[C@@H](C2=O)NC(=O)[C@@H](c1ccccc1)N)C(=O)O)Cl" . "JAPHQRWPEGVNBT-UTUOFQBUSA-N" . "InChI=1S/C16H16ClN3O4/c17-9-6-7-10-12(15(22)20(10)13(9)16(23)24)19-14(21)11(18)8-4-2-1-3-5-8/h1-5,10-12H,6-7,18H2,(H,19,21)(H,23,24)/t10-,11-,12+/m1/s1" . "COc1cc(Cc2cnc(nc2N)N)cc(c1OC)OC" . "COc1cc(Cc2cnc(nc2N)N)cc(c1OC)OC" . "IEDVJHCEMCRBQM-UHFFFAOYSA-N" . "InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)" . "O=C1NCCCCn2ncc(c2)c2cnc3c(c2)cc(CCn2nc(c4ccc1c(c4)C(F)(F)F)ccc2=O)cc3" . "O=c1n2CCc3cc4cc(c5cn(CCCCNC(=O)c6c(cc(c(n2)cc1)cc6)C(F)(F)F)nc5)cnc4cc3" . "PQNIGFMNUHDZKX-UHFFFAOYSA-N" . "InChI=1S/C30H25F3N6O2/c31-30(32,33)25-15-20-4-5-24(25)29(41)34-10-1-2-11-38-18-23(17-36-38)22-14-21-13-19(3-6-26(21)35-16-22)9-12-39-28(40)8-7-27(20)37-39/h3-8,13-18H,1-2,9-12H2,(H,34,41)" . "C#CCN(C1CCc2c1cc1c(=O)nc([nH]c1c2)CO)c1ccc(cc1)C(=O)NC(C(=O)O)CCC(=O)NC(C(=O)O)CCC(=O)O" . "C#CCN([C@H]1CCc2c1cc1c(=O)nc([nH]c1c2)CO)c1ccc(cc1)C(=O)N[C@H](C(=O)O)CCC(=O)N[C@@H](C(=O)O)CCC(=O)O" . "NVHRBQOZEMFKLD-CUYJMHBOSA-N" . "InChI=1S/C32H33N5O10/c1-2-13-37(25-10-5-18-14-24-21(15-20(18)25)30(43)36-26(16-38)33-24)19-6-3-17(4-7-19)29(42)35-23(32(46)47)8-11-27(39)34-22(31(44)45)9-12-28(40)41/h1,3-4,6-7,14-15,22-23,25,38H,5,8-13,16H2,(H,34,39)(H,35,42)(H,40,41)(H,44,45)(H,46,47)(H,33,36,43)/t22-,23+,25+/m1/s1" . "OCCn1nnnc1SCC1=C(C(=O)O)N2[C@H](OC1)[C@](C2=O)(OC)NC(=O)CSC(F)F" . "CO[C@@]1([C@@H]2N(C1=O)C(=C(CO2)CSc1nnnn1CCO)C(=O)O)NC(=O)CSC(F)F" . "UHRBTBZOWWGKMK-DOMZBBRYSA-N" . "InChI=1S/C15H18F2N6O7S2/c1-29-15(18-8(25)6-31-13(16)17)11(28)23-9(10(26)27)7(4-30-12(15)23)5-32-14-19-20-21-22(14)2-3-24/h12-13,24H,2-6H2,1H3,(H,18,25)(H,26,27)/t12-,15+/m1/s1" . "COc1cc(Nc2ccc(cc2C(=O)O)[N+](=O)[O-])cc2c1cccc2" . "COc1cc(cc2ccccc12)Nc1c(C(=O)O)cc(cc1)[N+](=O)[O-]" . "JIVRLHBAUUZTNC-UHFFFAOYSA-N" . "InChI=1S/C18H14N2O5/c1-25-17-9-12(8-11-4-2-3-5-14(11)17)19-16-7-6-13(20(23)24)10-15(16)18(21)22/h2-10,19H,1H3,(H,21,22)" . "CO[C@@]1(NC(=O)CSC[C@H](C(=O)O)N)C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C" . "Cn1c(nnn1)SCC1=C(N2[C@@H]([C@@](C2=O)(NC(=O)CSC[C@H](C(=O)O)N)OC)SC1)C(=O)O" . "JSDXOWVAHXDYCU-VXSYNFHWSA-N" . "InChI=1S/C16H21N7O7S3/c1-22-15(19-20-21-22)33-4-7-3-32-14-16(30-2,13(29)23(14)10(7)12(27)28)18-9(24)6-31-5-8(17)11(25)26/h8,14H,3-6,17H2,1-2H3,(H,18,24)(H,25,26)(H,27,28)/t8-,14-,16+/m1/s1" . "OC(=O)c1c(sc2c1CCC(C2)C(C)(C)C)NC(=O)c1ccco1" . "C(C)(C)(C)C1Cc2c(c(c(s2)NC(=O)c2occc2)C(=O)O)CC1" . "ACLUEOBQFRYTQS-UHFFFAOYSA-N" . "InChI=1S/C18H21NO4S/c1-18(2,3)10-6-7-11-13(9-10)24-16(14(11)17(21)22)19-15(20)12-5-4-8-23-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,19,20)(H,21,22)" . "C=CC(=O)N1CC2(C1)CC(C2)n1nc(c(c1C)c1c(Cl)c(C)cc2c1cn[nH]2)c1ccc2c(c1)cnn2C" . "Cn1ncc2c1ccc(c2)c1nn(C2CC3(C2)CN(C3)C(=O)C=C)c(C)c1c1c(Cl)c(C)cc2c1cn[nH]2" . "AZUYLZMQTIKGSC-UHFFFAOYSA-N" . "InChI=1S/C29H28ClN7O/c1-5-24(38)36-14-29(15-36)10-20(11-29)37-17(3)25(26-21-13-31-33-22(21)8-16(2)27(26)30)28(34-37)18-6-7-23-19(9-18)12-32-35(23)4/h5-9,12-13,20H,1,10-11,14-15H2,2-4H3,(H,31,33)" . "CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@]1(OC)C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C)[C@@H](O)C" . "CCN1CCN(C(=O)C1=O)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@]1([C@@H]2N(C1=O)C(=C(CS2)CSc1nnnn1C)C(=O)O)OC" . "SMSRCGPDNDCXFR-CYWZMYCQSA-N" . "InChI=1S/C22H29N9O9S2/c1-5-29-6-7-30(16(35)15(29)34)20(39)23-12(10(2)32)14(33)24-22(40-4)18(38)31-13(17(36)37)11(8-41-19(22)31)9-42-21-25-26-27-28(21)3/h10,12,19,32H,5-9H2,1-4H3,(H,23,39)(H,24,33)(H,36,37)/t10-,12+,19+,22-/m0/s1" . "CN(CCn1nnnc1SCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)Cc1csc(n1)N)C" . "CN(C)CCn1c(nnn1)SCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)Cc2csc(n2)N)SC1)C(=O)O" . "QYQDKDWGWDOFFU-IUODEOHRSA-N" . "InChI=1S/C18H23N9O4S3/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31)/t12-,15-/m1/s1" . "N#CC1(CC1)C(=O)N1CCN2[C@H](C1)COc1c2cc2c(nc(nc2c1)C)N[C@@H](c1cccc(c1F)C(F)F)C" . "Cc1nc2cc3OC[C@@H]4N(CCN(C(=O)C5(C#N)CC5)C4)c3cc2c(N[C@H](C)c2cccc(C(F)F)c2F)n1" . "KKFFOOWORPUAJB-NVXWUHKLSA-N" . "InChI=1S/C28H27F3N6O2/c1-15(18-4-3-5-19(24(18)29)25(30)31)33-26-20-10-22-23(11-21(20)34-16(2)35-26)39-13-17-12-36(8-9-37(17)22)27(38)28(14-32)6-7-28/h3-5,10-11,15,17,25H,6-9,12-13H2,1-2H3,(H,33,34,35)/t15-,17-/m1/s1" . "C[C@H]1[C@H](NC(=O)/C(=N/OC(C(=O)O)(C)C)/c2csc(n2)N)C(=O)N1S(=O)(=O)O" . "C[C@H]1[C@H](NC(=O)/C(=N/OC(C(=O)O)(C)C)/c2csc(n2)N)C(=O)N1S(=O)(=O)O" . "WZPBZJONDBGPKJ-VEHQQRBSSA-N" . "InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1" . "OC(=O)CNC(=O)c1c(O)c2ccccc2n(c1=O)OCC1CC1" . "C1CC1COn1c2ccccc2c(c(c1=O)C(=O)NCC(=O)O)O" . "IKRKQQLJYBAPQT-UHFFFAOYSA-N" . "InChI=1S/C16H16N2O6/c19-12(20)7-17-15(22)13-14(21)10-3-1-2-4-11(10)18(16(13)23)24-8-9-5-6-9/h1-4,9,21H,5-8H2,(H,17,22)(H,19,20)" . "CO/N=C(/c1csc(n1)N)/C(=O)N[C@H]1[C@H](C)N(C1=O)OCC(=O)OCC(=O)OC(C)(C)C" . "CO/N=C(/c1csc(n1)N)/C(=O)N[C@H]1[C@H](C)N(C1=O)OCC(=O)OCC(=O)OC(C)(C)C" . "QPWVHJDIDXILDG-SSUKDTCJSA-N" . "InChI=1S/C18H25N5O8S/c1-9-13(21-15(26)14(22-28-5)10-8-32-17(19)20-10)16(27)23(9)30-7-11(24)29-6-12(25)31-18(2,3)4/h8-9,13H,6-7H2,1-5H3,(H2,19,20)(H,21,26)/b22-14-/t9-,13-/m0/s1" . "COc1cc(Cc2cnc(nc2N)N)c2c(c1OC)OC(C=C2)C1CC1" . "COc1cc(Cc2cnc(nc2N)N)c2c(c1OC)OC(C=C2)C1CC1" . "HWJPWWYTGBZDEG-UHFFFAOYSA-N" . "InChI=1S/C19H22N4O3/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23)" . "CCCCCCCCCCNCCN[C@@]1(C)C[C@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)CO)Oc2c3cc4cc2Oc2ccc(cc2Cl)[C@@H](O)[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]([C@@H](c4ccc(O3)c(Cl)c4)O)NC(=O)[C@@H](CC(C)C)NC)c3ccc(c(c3)c3c([C@H](NC2=O)C(=O)O)cc(c(c3O)CNCP(=O)(O)O)O)O)O[C@H]([C@H]1O)C" . "CCCCCCCCCCNCCN[C@@]1(C)C[C@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)CO)Oc2c3cc4cc2Oc2ccc(cc2Cl)[C@@H](O)[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]([C@@H](c4ccc(O3)c(Cl)c4)O)NC(=O)[C@@H](CC(C)C)NC)c3ccc(c(c3)c3c([C@H](NC2=O)C(=O)O)cc(c(c3O)CNCP(=O)(O)O)O)O)O[C@H]([C@H]1O)C" . "ONUMZHGUFYIKPM-MXNFEBESSA-N" . "InChI=1S/C80H106Cl2N11O27P/c1-7-8-9-10-11-12-13-14-21-85-22-23-87-80(5)32-57(115-37(4)71(80)103)119-70-68(102)67(101)55(34-94)118-79(70)120-69-53-28-41-29-54(69)117-52-20-17-40(27-46(52)82)65(99)63-77(109)91-61(78(110)111)43-30-50(96)44(33-86-35-121(112,113)114)66(100)58(43)42-25-38(15-18-49(42)95)59(74(106)93-63)90-75(107)60(41)89-73(105)48(31-56(83)97)88-76(108)62(92-72(104)47(84-6)24-36(2)3)64(98)39-16-19-51(116-53)45(81)26-39/h15-20,25-30,36-37,47-48,55,57,59-65,67-68,70-71,79,84-87,94-96,98-103H,7-14,21-24,31-35H2,1-6H3,(H2,83,97)(H,88,108)(H,89,105)(H,90,107)(H,91,109)(H,92,104)(H,93,106)(H,110,111)(H2,112,113,114)/t37-,47+,48-,55+,57-,59+,60+,61-,62+,63-,64+,65+,67+,68-,70+,71+,79-,80-/m0/s1" . "CCC[C@H]1CN([C@@H](C1)C(=O)N[C@@H]([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)O)[C@H](O)C)C" . "CCC[C@H]1CN([C@@H](C1)C(=O)N[C@@H]([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)O)[C@H](O)C)C" . "OJMMVQQUTAEWLP-KIDUDLJLSA-N" . "InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1" . "CCC[C@H]1CN([C@@H](C1)C(=O)N[C@@H]([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)O)[C@@H](Cl)C)C" . "CCC[C@H]1CN([C@@H](C1)C(=O)N[C@@H]([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)O)[C@@H](Cl)C)C" . "KDLRVYVGXIQJDK-AWPVFWJPSA-N" . "InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9-,10+,11-,12+,13-,14+,15+,16+,18+/m0/s1" . "NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)CCCCCCCCC)CC(=O)N)CC(=O)O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(=O)O)C)CC(=O)O)CO)[C@@H](CC(=O)O)C)CC(=O)c1ccccc1N" . "NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)CCCCCCCCC)CC(=O)N)CC(=O)O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(=O)O)C)CC(=O)O)CO)[C@@H](CC(=O)O)C)CC(=O)c1ccccc1N" . "DOAKLVKFURWEDJ-RWDRXURGSA-N" . "InChI=1S/C72H101N17O26/c1-5-6-7-8-9-10-11-22-53(93)81-44(25-38-31-76-42-20-15-13-17-39(38)42)66(108)84-45(27-52(75)92)67(109)86-48(30-59(102)103)68(110)89-61-37(4)115-72(114)49(26-51(91)40-18-12-14-19-41(40)74)87-71(113)60(35(2)24-56(96)97)88-69(111)50(34-90)82-55(95)32-77-63(105)46(28-57(98)99)83-62(104)36(3)79-65(107)47(29-58(100)101)85-64(106)43(21-16-23-73)80-54(94)33-78-70(61)112/h12-15,17-20,31,35-37,43-50,60-61,76,90H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,105)(H,78,112)(H,79,107)(H,80,94)(H,81,93)(H,82,95)(H,83,104)(H,84,108)(H,85,106)(H,86,109)(H,87,113)(H,88,111)(H,89,110)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t35-,36-,37-,43+,44+,45+,46+,47+,48+,49+,50-,60+,61+/m1/s1" . "[O-][N+](=O)c1cn2c(n1)OC[C@H](C2)OCc1ccc(cc1)OC(F)(F)F" . "[O-][N+](=O)c1cn2c(n1)OC[C@H](C2)OCc1ccc(cc1)OC(F)(F)F" . "ZLHZLMOSPGACSZ-NSHDSACASA-N" . "InChI=1S/C14H12F3N3O5/c15-14(16,17)25-10-3-1-9(2-4-10)7-23-11-5-19-6-12(20(21)22)18-13(19)24-8-11/h1-4,6,11H,5,7-8H2/t11-/m0/s1" . "CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(C(=O)C(C(C1(C)O)O)C)C)(C)O" . "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O" . "ULGZDMOVFRHVEP-RWJQBGPGSA-N" . "InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1" . "COCCOCON=C1C(C)CC(C)(O)C(OC2OC(C)CC(C2O)N(C)C)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C(=O)OC(C(C(C1C)O)(C)O)CC)C" . "COCCOCO/N=C/1/[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C" . "RXZBMPWDPOLZGW-XMRMVWPWSA-N" . "InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1" . "COC1CC(OC(C1OC(=O)C)C)OC1C(C)C(OC2OC(C)CC(C2OC(=O)C)N(C)C)C(C)CC2(OC2)C(=O)C(C(C(C(OC(=O)C1C)C)C)OC(=O)C)C" . "CO[C@H]1C[C@@H](O[C@H]([C@@H]1OC(=O)C)C)O[C@H]1[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2OC(=O)C)N(C)C)[C@@H](C)C[C@]2(OC2)C(=O)[C@@H]([C@@H]([C@H]([C@H](OC(=O)[C@@H]1C)C)C)OC(=O)C)C" . "LQCLVBQBTUVCEQ-GSELTXNRSA-N" . "InChI=1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/t19-,20+,21-,22+,23+,24+,25+,26-,30-,31-,32-,33-,34+,35-,36-,37+,40-,41+/m0/s1" . "CO[C@@H]1[C@H](OC/C/2=C/C=C/C[C@H](O)/C(=C/[C@H](CC)[C@H](/C(=C/C(=C/C[C@H](OC2=O)[C@H](O)C)/C)/C)O[C@@H]2OC(C)(C)[C@H]([C@@H]([C@@H]2O)O)OC(=O)C(C)C)/C)O[C@@H]([C@H]([C@@H]1O)OC(=O)c1c(O)c(Cl)c(c(c1CC)Cl)O)C" . "CO[C@@H]1[C@H](OC/C/2=C/C=C/C[C@H](O)/C(=C/[C@H](CC)[C@H](/C(=C/C(=C/C[C@H](OC2=O)[C@H](O)C)/C)/C)O[C@@H]2OC(C)(C)[C@H]([C@@H]([C@@H]2O)O)OC(=O)C(C)C)/C)O[C@@H]([C@H]([C@@H]1O)OC(=O)c1c(O)c(Cl)c(c(c1CC)Cl)O)C" . "ZVGNESXIJDCBKN-UUEYKCAUSA-N" . "InChI=1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-51-45(65-12)42(61)44(29(9)67-51)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)43(30)70-50-41(60)40(59)46(52(10,11)72-50)71-47(62)24(3)4/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22+,27-21+,31-17+/t28-,29-,30+,33+,34+,40-,41+,42+,43+,44-,45+,46+,50-,51-/m1/s1" . "CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1C[C@H]1C(=C(O)c3c([C@@]1(C)O)cccc3O)C2=O)O)O)C(=O)N)C" . "CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1C[C@H]1C(=C(O)c3c([C@@]1(C)O)cccc3O)C2=O)O)O)C(=O)N)C" . "NWXMGUDVXFXRIG-WESIUVDSSA-N" . "InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25-26,29,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1" . "CN(C1C(=O)C(=C(C2(C1C(O)C1C(C)c3cccc(c3C(=C1C2=O)O)O)O)O)C(=O)N)C" . "CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1[C@@H](O)[C@@H]1[C@@H](C)c3cccc(c3C(=C1C2=O)O)O)O)O)C(=O)N)C" . "SGKRLCUYIXIAHR-AKNGSSGZSA-N" . "InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1" . "O=C(Nc1cc(N(C)C)c2c(c1O)C(=C1[C@@H](C2)C[C@@H]2[C@@](C1=O)(O)C(=C(C(=O)[C@H]2N(C)C)C(=O)N)O)O)CNC(C)(C)C" . "O=C(Nc1cc(N(C)C)c2c(c1O)C(=C1[C@@H](C2)C[C@@H]2[C@@](C1=O)(O)C(=C(C(=O)[C@H]2N(C)C)C(=O)N)O)O)CNC(C)(C)C" . "SOVUOXKZCCAWOJ-HJYUBDRYSA-N" . "InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36-37,40,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,21-,29-/m0/s1" . "NCC[C@@H](C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)CC(C)C)CC(C)C)CCN)[C@H](O)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)CCCC(CC)C)CCN" . "NCC[C@@H](C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)CC(C)C)CC(C)C)CCN)[C@H](O)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)CCCC(CC)C)CCN" . "YKQOSKADJPQZHB-QNPLFGSASA-N" . "InChI=1S/C52H98N16O13/c1-9-29(6)11-10-12-40(71)59-32(13-19-53)47(76)68-42(31(8)70)52(81)64-35(16-22-56)44(73)63-37-18-24-58-51(80)41(30(7)69)67-48(77)36(17-23-57)61-43(72)33(14-20-54)62-49(78)38(25-27(2)3)66-50(79)39(26-28(4)5)65-45(74)34(15-21-55)60-46(37)75/h27-39,41-42,69-70H,9-26,53-57H2,1-8H3,(H,58,80)(H,59,71)(H,60,75)(H,61,72)(H,62,78)(H,63,73)(H,64,81)(H,65,74)(H,66,79)(H,67,77)(H,68,76)/t29?,30-,31-,32+,33+,34+,35+,36+,37+,38+,39-,41+,42+/m1/s1" . "CC(C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)Oc1ccccc1" . "CC(C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)Oc1ccccc1" . "NONJJLVGHLVQQM-JHXYUMNGSA-N" . "InChI=1S/C17H20N2O5S/c1-9(24-10-7-5-4-6-8-10)13(20)18-11-14(21)19-12(16(22)23)17(2,3)25-15(11)19/h4-9,11-12,15H,1-3H3,(H,18,20)(H,22,23)/t9?,11-,12+,15-/m1/s1" . "OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)N1C(=O)[C@H](NC1(C)C)c1ccccc1" . "CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N1C(=O)[C@H](NC1(C)C)c1ccccc1)C(=O)O)C" . "DXVUYOAEDJXBPY-NFFDBFGFSA-N" . "InChI=1S/C19H23N3O4S/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10/h5-9,11-13,16,20H,1-4H3,(H,25,26)/t11-,12-,13+,16-/m1/s1" . "C=N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C" . "CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c1ccccc1)N=C)C(=O)O)C" . "FZECHKJQHUVANE-MCYUEQNJSA-N" . "InChI=1S/C17H19N3O4S/c1-17(2)12(16(23)24)20-14(22)11(15(20)25-17)19-13(21)10(18-3)9-7-5-4-6-8-9/h4-8,10-12,15H,3H2,1-2H3,(H,19,21)(H,23,24)/t10-,11-,12+,15-/m1/s1" . "ONC(=O)c1ccc(cc1)CN(c1cnccn1)c1cnccn1" . "c1cc(ccc1CN(c1nccnc1)c1nccnc1)C(=O)NO" . "LXHMTDHBMRZSHJ-UHFFFAOYSA-N" . "InChI=1S/C16H14N6O2/c23-16(21-24)13-3-1-12(2-4-13)11-22(14-9-17-5-7-19-14)15-10-18-6-8-20-15/h1-10,24H,11H2,(H,21,23)" . "NCCC(C(=O)NC1CCNC(=O)C(NC(=O)C(CCN)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)Cc1ccccc1)CC(C)C)CCN)C(O)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)CCCCC(CC)C)CCN" . "NCCC(C(=O)NC1CCNC(=O)C(NC(=O)C(CCN)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)Cc1ccccc1)CC(C)C)CCN)C(O)C)NC(=O)C(C(O)C)NC(=O)C(NC(=O)CCCCC(CC)C)CCN" . "WQVJHHACXVLGBL-UHFFFAOYSA-N" . "InChI=1S/C56H98N16O13/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80)" . "F[C@H]1C[C@H]1n1cc(C(=O)O)c(=O)c2c1c(Cl)c(N1C[C@H](C3(C1)CC3)N)c(c2)F" . "F[C@H]1C[C@H]1n1cc(C(=O)O)c(=O)c2c1c(Cl)c(N1C[C@H](C3(C1)CC3)N)c(c2)F" . "PNUZDKCDAWUEGK-CYZMBNFOSA-N" . "InChI=1S/C19H18ClF2N3O3/c20-14-15-8(17(26)9(18(27)28)5-25(15)12-4-10(12)21)3-11(22)16(14)24-6-13(23)19(7-24)1-2-19/h3,5,10,12-13H,1-2,4,6-7,23H2,(H,27,28)/t10-,12+,13+/m0/s1" . "Cn1cnc(n1)Cn1c(=O)[nH]/c(=N/c2cc3cn(nc3cc2Cl)C)/n(c1=O)Cc1cc(F)c(cc1F)F" . "Clc1c(cc2cn(nc2c1)C)/N=c/1/[nH]c(=O)n(c(=O)n1Cc1c(cc(c(c1)F)F)F)Cc1nn(cn1)C" . "QMPBBNUOBOFBFS-UHFFFAOYSA-N" . "InChI=1S/C22H17ClF3N9O2/c1-32-7-12-4-18(13(23)5-17(12)30-32)28-20-29-21(36)35(9-19-27-10-33(2)31-19)22(37)34(20)8-11-3-15(25)16(26)6-14(11)24/h3-7,10H,8-9H2,1-2H3,(H,28,29,36)" . "CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(c(c1)F)OCC1(CCN(CC1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)C1CC1)OP(=O)(O)O" . "CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(c(c1)F)OCC1(CCN(CC1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)C1CC1)OP(=O)(O)O" . "MNABRWLVTSGIMU-FQEVSTJZSA-N" . "InChI=1S/C31H33F2N4O11P/c1-17(38)34-13-20-14-37(30(42)47-20)19-4-5-27(24(33)10-19)46-16-31(48-49(43,44)45)6-8-35(9-7-31)26-12-25-21(11-23(26)32)28(39)22(29(40)41)15-36(25)18-2-3-18/h4-5,10-12,15,18,20H,2-3,6-9,13-14,16H2,1H3,(H,34,38)(H,40,41)(H2,43,44,45)/t20-/m0/s1" . "O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nncs1)Cn1cnnn1" . "C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)Cn1cnnn1)C(=O)O)CSc1nncs1" . "DZMVCVMFETWNIU-LDYMZIIASA-N" . "InChI=1S/C13H12N8O4S3/c22-7(1-20-4-14-18-19-20)16-8-10(23)21-9(12(24)25)6(2-26-11(8)21)3-27-13-17-15-5-28-13/h4-5,8,11H,1-3H2,(H,16,22)(H,24,25)/t8-,11-/m1/s1" . "Clc1ccc(cc1Cl)CNc1nc2ncn(c2c(=O)[nH]1)CCN1CCOCC1" . "Clc1ccc(cc1Cl)CNc1nc2ncn(c2c(=O)[nH]1)CCN1CCOCC1" . "DEGSGBKTODESHH-UHFFFAOYSA-N" . "InChI=1S/C18H20Cl2N6O2/c19-13-2-1-12(9-14(13)20)10-21-18-23-16-15(17(27)24-18)26(11-22-16)4-3-25-5-7-28-8-6-25/h1-2,9,11H,3-8,10H2,(H2,21,23,24,27)" . "O=C(N(Cc1oc2c(c1C)cccc2)C)/C=C/c1cnc2c(c1)CCC(=O)N2COP(=O)(O)O" . "O=C(N(Cc1oc2c(c1C)cccc2)C)/C=C/c1cnc2c(c1)CCC(=O)N2COP(=O)(O)O" . "HFYMDQMXVPJNTH-VQHVLOKHSA-N" . "InChI=1S/C23H24N3O7P/c1-15-18-5-3-4-6-19(18)33-20(15)13-25(2)21(27)9-7-16-11-17-8-10-22(28)26(23(17)24-12-16)14-32-34(29,30)31/h3-7,9,11-12H,8,10,13-14H2,1-2H3,(H2,29,30,31)/b9-7+" . "n1ccc(cc1)c1nc2c([nH]1)cc(cc2)c1ccc2c(c1)[nH]c(n2)c1ccncc1" . "n1ccc(cc1)c1nc2c([nH]1)cc(cc2)c1ccc2c(c1)[nH]c(n2)c1ccncc1" . "UHQFBTAJFNVZIV-UHFFFAOYSA-N" . "InChI=1S/C24H16N6/c1-3-19-21(29-23(27-19)15-5-9-25-10-6-15)13-17(1)18-2-4-20-22(14-18)30-24(28-20)16-7-11-26-12-8-16/h1-14H,(H,27,29)(H,28,30)" . "S=C([C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(c2Nc2c1cccc2)C)N(C)C" . "Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C" . "AOPORIRPXVMWSL-DEOSSOPVSA-N" . "InChI=1S/C28H33N7O2S/c1-18-14-19(11-12-20(18)15-29-28(37)34-13-7-10-24(34)27(38)32(2)3)26(36)35-17-21-16-30-33(4)25(21)31-22-8-5-6-9-23(22)35/h5-6,8-9,11-12,14,16,24,31H,7,10,13,15,17H2,1-4H3,(H,29,37)/t24-/m0/s1" . "O=C([C@@H](c1ccccc1)NC(=O)N1CCNC1=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C" . "CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c1ccccc1)NC(=O)N1CCNC1=O)C(=O)O)C" . "JTWOMNBEOCYFNV-NFFDBFGFSA-N" . "InChI=1S/C20H23N5O6S/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29)/t11-,12-,13+,16-/m1/s1" . "OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)c1c(C)onc1c1c(Cl)cccc1Cl" . "Cc1c(c(no1)c1c(cccc1Cl)Cl)C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O" . "YFAGHNZHGGCZAX-JKIFEVAISA-N" . "InChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1" . "Fc1ccc(cc1)C(Nc1nc(Nc2cnccn2)cc(c1)c1cnn(c1)C)C" . "Fc1ccc(cc1)[C@@H](Nc1nc(Nc2cnccn2)cc(c1)c1cnn(c1)C)C" . "UQTPDWDAYHAZNT-AWEZNQCLSA-N" . "InChI=1S/C21H20FN7/c1-14(15-3-5-18(22)6-4-15)26-19-9-16(17-11-25-29(2)13-17)10-20(27-19)28-21-12-23-7-8-24-21/h3-14H,1-2H3,(H2,24,26,27,28)/t14-/m0/s1" . "O=C([C@H](N1C(=O)[C@H]([C@H]1/C=C/c1ccccc1)N1C(=O)OC[C@@H]1c1ccccc1)CC(=O)N1CCC(CC1)CCN1CCCCC1)N[C@H](c1ccccc1)C" . "C[C@H](NC(=O)[C@@H](CC(=O)N1CCC(CCN2CCCCC2)CC1)N1[C@H](/C=C/c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1ccccc1" . "HKPLAUMYFHPXIC-KRESLXGLSA-N" . "InChI=1S/C44H53N5O5/c1-32(35-16-8-3-9-17-35)45-42(51)38(30-40(50)47-28-23-34(24-29-47)22-27-46-25-12-5-13-26-46)48-37(21-20-33-14-6-2-7-15-33)41(43(48)52)49-39(31-54-44(49)53)36-18-10-4-11-19-36/h2-4,6-11,14-21,32,34,37-39,41H,5,12-13,22-31H2,1H3,(H,45,51)/b21-20+/t32-,37+,38+,39+,41-/m0/s1" . "OCC1CCN(CC1)Cc1ccc(cc1)C#Cc1cc(C(F)F)c2c(c1C)nn(c2)C(c1ncn2c1CCC12CC1)C(=O)Nc1nccs1" . "FC(F)c1c2cn(nc2c(c(c1)C#Cc1ccc(cc1)CN1CCC(CC1)CO)C)C(c1ncn2c1CCC12CC1)C(=O)Nc1sccn1" . "XGCQKFFIRIFVIZ-UHFFFAOYSA-N" . "InChI=1S/C37H37F2N7O2S/c1-23-27(7-6-24-2-4-25(5-3-24)19-44-15-9-26(21-47)10-16-44)18-28(34(38)39)29-20-46(43-31(23)29)33(35(48)42-36-40-14-17-49-36)32-30-8-11-37(12-13-37)45(30)22-41-32/h2-5,14,17-18,20,22,26,33-34,47H,8-13,15-16,19,21H2,1H3,(H,40,42,48)" . "OCCOc1nc(nc(c1Oc1ccccc1OC)NS(=O)(=O)c1ccc(cn1)C)c1ccnc(c1)c1nn[nH]n1" . "Cc1cnc(cc1)S(=O)(=O)Nc1c(c(nc(n1)c1cc(ncc1)c1n[nH]nn1)OCCO)Oc1ccccc1OC" . "LFWCJABOXHSRGC-UHFFFAOYSA-N" . "InChI=1S/C25H23N9O6S/c1-15-7-8-20(27-14-15)41(36,37)32-24-21(40-19-6-4-3-5-18(19)38-2)25(39-12-11-35)29-22(28-24)16-9-10-26-17(13-16)23-30-33-34-31-23/h3-10,13-14,35H,11-12H2,1-2H3,(H,28,29,32)(H,30,31,33,34)" . "OC(=O)[C@@H](Nc1ccccc1C(=O)c1ccc(cc1)F)Cc1ccc(cc1)OCCn1c2ccccc2c2c1cccc2" . "c1ccc2c(c1)c1ccccc1n2CCOc1ccc(cc1)C[C@@H](C(=O)O)Nc1ccccc1C(=O)c1ccc(cc1)F" . "QNLWMPLUWMWDMQ-YTTGMZPUSA-N" . "InChI=1S/C36H29FN2O4/c37-26-17-15-25(16-18-26)35(40)30-9-1-4-10-31(30)38-32(36(41)42)23-24-13-19-27(20-14-24)43-22-21-39-33-11-5-2-7-28(33)29-8-3-6-12-34(29)39/h1-20,32,38H,21-23H2,(H,41,42)/t32-/m0/s1" . "OC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)O)C" . "O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C" . "RUDATBOHQWOJDD-UZVSRGJWSA-N" . "InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1" . "COc1cccc(c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)OC" . "CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)c1c(cccc1OC)OC)C(=O)O)C" . "RJQXTJLFIWVMTO-TYNCELHUSA-N" . "InChI=1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)/t11-,12+,15-/m1/s1" . "O=C(C(C(=O)Oc1ccc2c(c1)CCC2)c1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C" . "CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(c1ccccc1)C(=O)Oc1cc2c(CCC2)cc1)C(=O)O)C" . "JIRBAUWICKGBFE-MNRDOXJOSA-N" . "InChI=1S/C26H26N2O6S/c1-26(2)20(24(31)32)28-22(30)19(23(28)35-26)27-21(29)18(15-7-4-3-5-8-15)25(33)34-17-12-11-14-9-6-10-16(14)13-17/h3-5,7-8,11-13,18-20,23H,6,9-10H2,1-2H3,(H,27,29)(H,31,32)/t18?,19-,20+,23-/m1/s1" . "CN[C@@H]1COc2n(C1)ncc2S(=O)(=O)NC(=O)Nc1c2CCCc2cc2c1CCC2" . "C1CCc2c(c3CCCc3cc12)NC(=O)NS(=O)(=O)c1cnn2c1OC[C@H](C2)NC" . "NDRARVKETDZHBS-AWEZNQCLSA-N" . "InChI=1S/C20H25N5O4S/c1-21-14-10-25-19(29-11-14)17(9-22-25)30(27,28)24-20(26)23-18-15-6-2-4-12(15)8-13-5-3-7-16(13)18/h8-9,14,21H,2-7,10-11H2,1H3,(H2,23,24,26)/t14-/m0/s1" . "FC(CN1c2ccc(cc2C(=Nc2c1ccc(c2)F)N[C@@H]1CCN(C1)C(=O)NCCCCCCCCNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)Cl)F" . "O=C1CCC(N2C(=O)c3cccc(NCCCCCCCCNC(=O)N4CC[C@@H](NC5=Nc6cc(F)ccc6N(CC(F)F)c6ccc(Cl)cc56)C4)c3C2=O)C(=O)N1" . "UZPKWEBZEBROEX-UOQVMRJOSA-N" . "InChI=1S/C41H44ClF3N8O5/c42-24-10-12-31-28(20-24)37(49-30-21-25(43)11-13-32(30)52(31)23-34(44)45)48-26-16-19-51(22-26)41(58)47-18-6-4-2-1-3-5-17-46-29-9-7-8-27-36(29)40(57)53(39(27)56)33-14-15-35(54)50-38(33)55/h7-13,20-21,26,33-34,46H,1-6,14-19,22-23H2,(H,47,58)(H,48,49)(H,50,54,55)/t26-,33?/m1/s1" . "CCCn1c2cc(ccc2nc(c1=O)c1ccc(cc1)C(=O)NCc1cccnc1)NC(=O)CCCCCCCCCCC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@H](c1ccc(cc1)c1scnc1C)C)O" . "O=c1n(CCC)c2c(nc1c1ccc(C(=O)NCc3cnccc3)cc1)ccc(c2)NC(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@H](c1ccc(cc1)c1c(ncs1)C)C)O)C(C)(C)C" . "MLJZDBCOWWJHEE-LPLKMGJNSA-N" . "InChI=1S/C59H73N9O7S/c1-7-31-67-48-32-45(28-29-47(48)65-52(57(67)74)42-22-26-44(27-23-42)55(72)61-35-40-17-16-30-60-34-40)64-50(70)18-14-12-10-8-9-11-13-15-19-51(71)66-54(59(4,5)6)58(75)68-36-46(69)33-49(68)56(73)63-38(2)41-20-24-43(25-21-41)53-39(3)62-37-76-53/h16-17,20-30,32,34,37-38,46,49,54,69H,7-15,18-19,31,33,35-36H2,1-6H3,(H,61,72)(H,63,73)(H,64,70)(H,66,71)/t38-,46+,49-,54+/m0/s1" . "N#CCC1CCC(CC1)n1c(CC(=O)NCC(O)(C)C)nc2c1c1cc[nH]c1nc2" . "N#CC[C@@H]1CC[C@H](CC1)n1c(CC(=O)NCC(O)(C)C)nc2c1c1cc[nH]c1nc2" . "NJKMSBSVJSQUBU-SHTZXODSSA-N" . "InChI=1S/C22H28N6O2/c1-22(2,30)13-26-19(29)11-18-27-17-12-25-21-16(8-10-24-21)20(17)28(18)15-5-3-14(4-6-15)7-9-23/h8,10,12,14-15,30H,3-7,11,13H2,1-2H3,(H,24,25)(H,26,29)/t14-,15-" . "O=C(Cn1nc(c2c1C(F)(F)[C@H]1[C@@H]2C1)C(F)(F)F)N[C@H](c1nc(C#CC(S(=O)(=O)C)(C)C)ccc1c1ccc(c2c1n(nc2NS(=O)(=O)C)CC(F)(F)F)Cl)Cc1cc(F)cc(c1)F" . "O=C(Cn1nc(c2c1C(F)(F)[C@H]1[C@@H]2C1)C(F)(F)F)N[C@H](c1nc(C#CC(S(=O)(=O)C)(C)C)ccc1c1ccc(c2c1n(nc2NS(=O)(=O)C)CC(F)(F)F)Cl)Cc1cc(F)cc(c1)F" . "BRYXUCLEHAUSDY-WEWMWRJBSA-N" . "InChI=1S/C39H32ClF10N7O5S2/c1-36(2,63(3,59)60)10-9-21-5-6-22(23-7-8-26(40)30-32(23)57(17-37(43,44)45)54-35(30)55-64(4,61)62)31(51-21)27(13-18-11-19(41)14-20(42)12-18)52-28(58)16-56-34-29(33(53-56)39(48,49)50)24-15-25(24)38(34,46)47/h5-8,11-12,14,24-25,27H,13,15-17H2,1-4H3,(H,52,58)(H,54,55)/t24-,25+,27-/m0/s1" . "COCC(Oc1cc(Oc2ncc(nc2)C(=O)N2CCC2)cc(c1)C(=O)Nc1ncc(nc1)C)C" . "COC[C@@H](Oc1cc(Oc2ncc(nc2)C(=O)N2CCC2)cc(c1)C(=O)Nc1ncc(nc1)C)C" . "FJEJHJINOKKDCW-INIZCTEOSA-N" . "InChI=1S/C24H26N6O5/c1-15-10-27-21(12-25-15)29-23(31)17-7-18(34-16(2)14-33-3)9-19(8-17)35-22-13-26-20(11-28-22)24(32)30-5-4-6-30/h7-13,16H,4-6,14H2,1-3H3,(H,27,29,31)/t16-/m0/s1" . "C=CC(=O)N1CCN(CC1)c1cc(nc(c1)N1CCN(C[C@@H]1C)C)c1noc(n1)[C@@]1(C)CCCc2c1c(C#N)c(s2)N" . "C[C@H]1CN(C)CCN1c1nc(cc(c1)N1CCN(CC1)C(=O)C=C)c1noc(n1)[C@@]1(C)CCCc2c1c(C#N)c(N)s2" . "CKAMBYUZKWQCKJ-ADSBAMQRSA-N" . "InChI=1S/C30H37N9O2S/c1-5-25(40)38-12-10-37(11-13-38)20-15-22(33-24(16-20)39-14-9-36(4)18-19(39)2)28-34-29(41-35-28)30(3)8-6-7-23-26(30)21(17-31)27(32)42-23/h5,15-16,19H,1,6-14,18,32H2,2-4H3/t19-,30-/m0/s1" . "O=C(NS(=O)(=O)c1occ(c1)C(O)(C)C)Nc1c2CCCc2cc2c1CCC2" . "O=C(NS(=O)(=O)c1occ(c1)C(O)(C)C)Nc1c2CCCc2cc2c1CCC2" . "HUUSXLKCTQDPGL-UHFFFAOYSA-N" . "InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)" . "OCCNCc1ccc(c(c1)OCCc1ccccc1)OCCc1ccccc1" . "OCCNCc1ccc(OCCc2ccccc2)c(OCCc2ccccc2)c1" . "RQNGRJHGRKZOEL-UHFFFAOYSA-N" . "InChI=1S/C25H29NO3/c27-16-15-26-20-23-11-12-24(28-17-13-21-7-3-1-4-8-21)25(19-23)29-18-14-22-9-5-2-6-10-22/h1-12,19,26-27H,13-18,20H2" . "CN(C1CCC(CC1)[C@@]1(C)Oc2c(O1)c(C)c(cc2Cl)C(=O)NCc1c(C)cc([nH]c1=O)C)C" . "Cc1cc(c(c(=O)[nH]1)CNC(=O)c1cc(c2c(c1C)O[C@@](O2)(C)C1CCC(CC1)N(C)C)Cl)C" . "SSDRNUPMYCFXGM-ZZHSESOFSA-N" . "InChI=1S/C26H34ClN3O4/c1-14-11-15(2)29-25(32)20(14)13-28-24(31)19-12-21(27)23-22(16(19)3)33-26(4,34-23)17-7-9-18(10-8-17)30(5)6/h11-12,17-18H,7-10,13H2,1-6H3,(H,28,31)(H,29,32)/t17?,18?,26-/m1/s1" . "COc1cc(F)c(cc1OCc1c(OC)ccc(c1F)F)n1c(=O)[nH]c2c(c1=O)c(sc2)C(=O)O" . "COc1c(c(c(cc1)F)F)COc1c(cc(c(c1)n1c(=O)c2c(scc2[nH]c1=O)C(=O)O)F)OC" . "BMAAMIIYNNPHAB-UHFFFAOYSA-N" . "InChI=1S/C22H15F3N2O7S/c1-32-14-4-3-10(23)18(25)9(14)7-34-16-6-13(11(24)5-15(16)33-2)27-20(28)17-12(26-22(27)31)8-35-19(17)21(29)30/h3-6,8H,7H2,1-2H3,(H,26,31)(H,29,30)" . "CCc1cc(ccc1n1nc(c2c1nccc2n1cnc(c1)c1cnn(c1)C)C(C)C)C(=O)N" . "CCc1c(ccc(c1)C(=O)N)n1c2nccc(c2c(n1)C(C)C)n1cc(nc1)c1cn(nc1)C" . "NVVPMZUGELHVMH-UHFFFAOYSA-N" . "InChI=1S/C25H26N8O/c1-5-16-10-17(24(26)34)6-7-20(16)33-25-22(23(30-33)15(2)3)21(8-9-27-25)32-13-19(28-14-32)18-11-29-31(4)12-18/h6-15H,5H2,1-4H3,(H2,26,34)" . "CSCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)N)CO)CC(=O)O)CC(=O)O)CCC(=O)O)Cc1ccccc1)CO)CC(C)C" . "N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)O" . "GKODHHDFYJUXTK-HVCWXIAISA-N" . "InChI=1S/C58H86N12O23S/c1-28(2)21-34(48(82)61-33(58(92)93)17-20-94-5)62-53(87)39(27-72)67-55(89)46(29(3)4)68-51(85)35(22-30-11-7-6-8-12-30)63-47(81)32(15-16-42(73)74)60-49(83)36(24-44(77)78)64-50(84)37(25-45(79)80)65-52(86)38(26-71)66-54(88)40-13-9-18-69(40)57(91)41-14-10-19-70(41)56(90)31(59)23-43(75)76/h6-8,11-12,28-29,31-41,46,71-72H,9-10,13-27,59H2,1-5H3,(H,60,83)(H,61,82)(H,62,87)(H,63,81)(H,64,84)(H,65,86)(H,66,88)(H,67,89)(H,68,85)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,92,93)/t31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,46-/m0/s1" . "O=C1c2cccc(c2C(=O)c2c1c(ccc2)S(=O)(=O)N)O" . "c1cc2c(c(c1)O)C(=O)c1c(C2=O)c(ccc1)S(=O)(=O)N" . "CQBHSRLUQDYPBU-UHFFFAOYSA-N" . "InChI=1S/C14H9NO5S/c15-21(19,20)10-6-2-4-8-12(10)14(18)7-3-1-5-9(16)11(7)13(8)17/h1-6,16H,(H2,15,19,20)" . "COc1ccc(cc1)S(=O)(=O)Nc1cc(c(c2c1cccc2)O)c1c(O)ccc2c1cccc2" . "COc1ccc(cc1)S(=O)(=O)Nc1cc(c(c2ccccc12)O)c1c(ccc2ccccc12)O" . "QDCJDYWGYVPBDO-UHFFFAOYSA-N" . "InChI=1S/C27H21NO5S/c1-33-18-11-13-19(14-12-18)34(31,32)28-24-16-23(27(30)22-9-5-4-8-21(22)24)26-20-7-3-2-6-17(20)10-15-25(26)29/h2-16,28-30H,1H3" . "N#CC(=Cc1cccc(n1)Br)C(=O)NC(c1ccccc1)C" . "N#C/C(=C/c1cccc(n1)Br)/C(=O)N[C@H](c1ccccc1)C" . "VFUAJMPDXIRPKO-LQELWAHVSA-N" . "InChI=1S/C17H14BrN3O/c1-12(13-6-3-2-4-7-13)20-17(22)14(11-19)10-15-8-5-9-16(18)21-15/h2-10,12H,1H3,(H,20,22)/b14-10+/t12-/m0/s1" . "COC(=O)C(NC(=O)c1c(Cl)cccc1Cl)Cc1ccc(cc1)n1c(=O)c2cc(ccc2n(c1=O)C)N(C)C" . "COC(=O)[C@@H](NC(=O)c1c(Cl)cccc1Cl)Cc1ccc(cc1)n1c(=O)c2cc(ccc2n(c1=O)C)N(C)C" . "MMHHPKCJJIFLBQ-QFIPXVFZSA-N" . "InChI=1S/C28H26Cl2N4O5/c1-32(2)18-12-13-23-19(15-18)26(36)34(28(38)33(23)3)17-10-8-16(9-11-17)14-22(27(37)39-4)31-25(35)24-20(29)6-5-7-21(24)30/h5-13,15,22H,14H2,1-4H3,(H,31,35)/t22-/m0/s1" . "O=C(C(S(=O)(=O)O)c1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C" . "CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(c1ccccc1)S(=O)(=O)O)C(=O)O)C" . "JETQIUPBHQNHNZ-OAYJICASSA-N" . "InChI=1S/C16H18N2O7S2/c1-16(2)11(15(21)22)18-13(20)9(14(18)26-16)17-12(19)10(27(23,24)25)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,17,19)(H,21,22)(H,23,24,25)/t9-,10?,11+,14-/m1/s1" . "COc1cc(C(C)C)c(cc1S(=O)(=O)N)Oc1cnc(nc1N)N" . "COc1cc(C(C)C)c(cc1S(=O)(=O)N)Oc1cnc(nc1N)N" . "HLWURFKMDLAKOD-UHFFFAOYSA-N" . "InChI=1S/C14H19N5O4S/c1-7(2)8-4-10(22-3)12(24(17,20)21)5-9(8)23-11-6-18-14(16)19-13(11)15/h4-7H,1-3H3,(H2,17,20,21)(H4,15,16,18,19)" . "CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)C#Cc1cnc2c(c1)cn[nH]2)C" . "CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)C#Cc1cnc2c(c1)cn[nH]2)C" . "TZKBVRDEOITLRB-UHFFFAOYSA-N" . "InChI=1S/C29H27F3N6O/c1-19-3-5-22(14-21(19)6-4-20-13-24-17-34-36-27(24)33-16-20)28(39)35-25-8-7-23(26(15-25)29(30,31)32)18-38-11-9-37(2)10-12-38/h3,5,7-8,13-17H,9-12,18H2,1-2H3,(H,35,39)(H,33,34,36)" . "O[C@@H]1CCC[C@H](C1)N1c2nc(ncc2C2(C1=O)CC2)Nc1ccc(cc1)S(=O)(=O)NC([2H])([2H])[2H]" . "O[C@H]1C[C@@H](CCC1)N1C(=O)C2(c3c1nc(nc3)Nc1ccc(cc1)S(=O)(=O)NC([2H])([2H])[2H])CC2" . "AKQOBHZKBDHWQI-BZEFIUHZSA-N" . "InChI=1S/C21H25N5O4S/c1-22-31(29,30)16-7-5-13(6-8-16)24-20-23-12-17-18(25-20)26(19(28)21(17)9-10-21)14-3-2-4-15(27)11-14/h5-8,12,14-15,22,27H,2-4,9-11H2,1H3,(H,23,24,25)/t14-,15-/m1/s1/i1D3" . "O=C([C@@H](c1ccccc1)NC(=O)N1CCN(C1=O)S(=O)(=O)C)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C" . "CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c1ccccc1)NC(=O)N1CCN(C1=O)S(=O)(=O)C)C(=O)O)C" . "YPBATNHYBCGSSN-VWPFQQQWSA-N" . "InChI=1S/C21H25N5O8S2/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30)/t12-,13-,14+,17-/m1/s1" . "N#Cc1ccc(c(=O)n1C)NC(c1cc2cc(Cl)ccc2[nH]c1=O)C" . "N#Cc1ccc(c(=O)n1C)N[C@H](c1cc2cc(Cl)ccc2[nH]c1=O)C" . "NEQYWYXGTJDAKR-JTQLQIEISA-N" . "InChI=1S/C18H15ClN4O2/c1-10(21-16-6-4-13(9-20)23(2)18(16)25)14-8-11-7-12(19)3-5-15(11)22-17(14)24/h3-8,10,21H,1-2H3,(H,22,24)/t10-/m0/s1" . "CC=CC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)[C@@H](c1ccc(cc1)O)N" . "C(=O)(O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccc(O)cc1)C=CC" . "WDLWHQDACQUCJR-PBFPGSCMSA-N" . "InChI=1S/C18H19N3O5S/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26)/t12-,13-,17-/m1/s1" . "O=C([C@@H](c1ccccc1)O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1CS(=O)(=O)O" . "C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c1ccccc1)O)C(=O)O)CSc1nnnn1CS(=O)(=O)O" . "DYAIAHUQIPBDIP-AXAPSJFSSA-N" . "InChI=1S/C18H18N6O8S3/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32)/t11-,13-,16-/m1/s1" . "A synthetic analogue of ShK toxin" . "A synthetic variant of the HIV Tat protein" . "Monomer and homodimer" . "Monomer and homodimer" . "Synthetic analogue of human PYY" . "Synthetic analogue of human C5a" . "Synthetic analogue of human GHRH" . "From Mesobuthus tamulus (Eastern Indian scorpion)" . "From Androctonus mauretanicus mauretanicus (Scorpion)." . "From garlic" . "A synthetic analogue of GHRH" . "A synthetic analogue of GHRH" . "BRL-15572 is a selective antagonist of the serotonin 5-HT1D receptor." . "Lysergic acid diethylamide (LSD), also known as acid, is an psychedelic drug known for its psychological effects. In 2017 this was crystalised in complex with the human serotonin receptor 5-HT2B. " . "This ligand is represented in ChEMBL without specified stereochemistry by CHEMBL276031." . "Asenapine is an atypical antipsychotic. The drug is an enantiomeric mixture, and we show one enantioner here. Alternative enantiomers include CHEMBL1201756.
Marketed formulations may contain asenapine maleate (PubChem CID 6917875)." . "Apomorphine hydrochloride is a potent dopamine-receptor agonist." . "Aripiprazole is an atypical antipsychotic." . "Bromocriptine exhibits potent dopaminergic activity." . "Buspirone is an anxiolytic psychotropic drug." . "Cabergoline is an ergot-derived, long-acting dopamine receptor agonist (dopamine D2 receptor) and prolactin inhibitor." . "Olanzapine displays affinity for numerous receptors from the serotonin, histamine, alpha adrenergic, dopamine and muscarinic acetylcholine receptor families. Its antipsychotic properties are believed to arise from its antagonism of the dopamine D2 and 5-HT2A receptors.
Marketed formulations may contain olanzapine pamoate (PubChem CID 12085238). Olanzapine is represented on some databases with some of the double bonds in a different position. See CHEBI:7735 and CHEMBL715." . "Note that PubChem CID 2818 has different double bond structure on the central heptane ring which results in a different InChIKey. Our structure is an exact match for the chemical structure in the INN record for this compound.

The major active metabolite of clozapine is ." . "Approved as eletriptan hydrobromide." . "Lisuride is an antiparkinson agent of the iso-ergoline class, acting principally as a dopamine receptor partial agonist." . "Marketed formulations may contain naratriptan hydrochloride (PubChem CID 60875)." . "One of the enantiomers comprising the INN-assigned compound tertatolol." . "Marketed formulations may contain pergolide mesylate (PubChem CID 47812)." . "Quetiapine displays affinity for numerous receptors from the dopamine, serotonin and adrenergic families, in addition to the histamine H1 receptor. The anti-psychotic properties of the drug are believed to result from its antagonism of dopamine D2 and 5-HT2A receptors.
Marketed formulations may contain quetiapine fumarate (PubChem CID 5281025) or quetiapine hemifumarate (PubChem CID 73013330)." . "Rizatriptan is a triptan 5-HT1 receptor agonist anti-migraine drug." . "Sumatriptan is a selective serotonin 5-HT1B/ID receptor agonist.
Marketed formulations contain sumatriptan succinate (PubChem CID 59772)." . "Terguride is an ergoline type serotonin receptor antagonist/dopamine receptor agonist." . "Ziprasidone is a monoaminergic antagonist with affinity for a range of receptors including dopamine receptors, alpha 1 and 2 adrenoceptors, the histamine H1 receptor, and serotonin 5-HT receptors. Marketed formulations may contain ziprasidone hydrochloride (PubChem CID 219099)." . "Zolmitriptan is triptan type serotonin receptor agonist that is used as an anti-migraine drug. It is selective for the 1B and 1D 5-HT receptor subtypes. Zolmitriptan is the only triptan known to be converted to an active N-desmethyl metabolite which has higher affinity for the 5-HT1D and 5-HT1B receptors than the parent molecule" . "One of the two enantiomers found in the INN-assigned racemic compound butaclamol." . "A component of the approved drug propranolol. Propranolol is a racemic mixture of two enantiomers (+)-propranolol, and (-)-propranolol. Some of the database entries linked to from this page may refer to the mixture and do not specify stereochemistry in the images of the structue shown." . "WAY-100635 is a piperazine drug widely used in scientific studies. As described in our bioactivity tab It was reported as a selective 5-HT1A receptor antagonist in 1998 but subsequent research showed that it also acts as potent full agonist at D4." . "Chlorpromazine was the first antipsychotic drug to be discovered. It is one of the most sedating of the typical antipsychotics and also causes antimuscarinic effects." . "Pimozide is a typical antipsychotic drug." . "Fluspirilene is a long-acting typical antipsychotic drug." . "Haloperidol is a typical antipsychotic drug." . "Iloperidone is an atypical antipsychotic drug." . "Ketanserin is an antihypertensive drug, also used as a research tool to investigate function of the serotonin 5-HT2 receptor family." . "The structure of the INN-assigned compound metitepine is a racemic mixture of two enantiomers. The structure shown here does not specifiy stereochemistry and represents the mixture." . "Pindolol is a nonselective beta blocker." . "Pizotifen is a benzocycloheptene-based anti-migraine drug, acting principally as an antagonist of serotonin 5-HT2A and 5-HT2C receptors." . "Risperidone is an atypical antipsychotic drug, functioning as a dopamine D2, serotonin 5-HT2 and α2-adrenoceptor antagonist." . "Sertindole is an atypical antipsychotic medication, functioning as a dopamine D2 and serotonin 5-HT2 receptor antagonist." . "Marketed formulations may contain thioridazine hydrochloride (PubChem CID 66062)." . "Yohimbine exerts actions on many receptors of the dopamine, serotonin and adrenergic families, with highest activity as an antagonist of α2-adrenoceptors." . "Zotepine is an atypical antipsychotic drug, with antagonist activity at dopamine and serotonin receptors." . "Dihydroergotamine is an ergot alkaloid. It is used as a vasoconstrictor. The drug is administered as dihydroergotamine mesylate (PubChem CID 71171). The use of ergot alkaloids in the clinic has been discontinued or restricted due to their propensity to cause fibrosis." . "Oxymetazoline is a selective α1-adrenoceptor agonist and α2-adrenoceptor partial agonist with vasoconstricting properties." . "One of the enantiomers making up the racemic approved drug pindolol." . "The structure of ligand as specified by the PDB compound link corresponds to CID 46937143, and shows structural differences from the structure shown here and represented by CID 155346." . "Methysergide is an ergot alkaloid. When used, this drug is administered as methysergide maleate (PubChem CID 5281073). The use of ergot alkaloids has been discontinued or restricted due to their propensity to cause fibrosis." . "The approved drug mianserin is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture." . "Lysergic acid is not LSD." . "Bufotenin is a serotonin-like bioactive toxin found in the skin of certain poisonous toads, mushrooms and tree seeds that has hallucinogenic effects." . "Ergometrine is an ergot alkaloid which causes contraction of uterine and vascular smooth muscle cells acting through a variety of GPCRs (such as adrenoceptors, dopamine receptors, and 5-HT receptors)." . "Ergotamine is an ergot derived alkaloid." . "Methylergonovine is a synthetic analogue of the natural ergot alkaloid, . It acts through interaction with multiple molecular targets, including adrenoceptors, dopamine receptors, and 5-HT receptors." . "The INN-assigned compound brolamfetamine is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture." . "Quipazine belongs to the piperazine family of compounds and may act to improve function of the spinal nerve circuitry ." . "The INN-assigned compound glemanserin is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture." . "Agomelatine is a melatonergic (i.e. it acts as a a melatonin receptor agonist) antidepressant, devoid of the side-effects caused by SSRI, SNRI and tricyclic antidepressants. The drug also has low affinity for 5-HT2C receptors." . "Amitriptyline is a tricyclic antidepressant (TCA)." . "Amoxapine is a dibenzoxazepine-derivative tricyclic antidepressant." . "Duloxetine is a selective serotonin and norepinephrine reuptake inhibitor (SSNRI) antidepressant." . "The approved drug fluoxetine is a racemic mixture of two enantiomers; (R)-fluoxetine and (S)-Fluoxetine. The structure shown here does not specify stereochemistry and represents the mixture. The two PDB links listed above represent the two enantiomers. Fluoxetine is metabolised in the body to active metabolite ." . "Fluphenazine belongs to the family of phenothiazine anti-psychotic drugs." . "Loxapine is a dibenzoxazepine class typical antipsychotic drug." . "Marketed formulations may contain molindone hydrochloride (PubChem CID 9883259)." . "Active metabolite of . Norfluoxetine is a mixture of two stereoisomers, an R-form and an S-form, and the PDB links above each represent one of these stereoisomers." . "Perphenazine is a typical antipsychotic drug, acting principally as a dopamine D2 receptor antagonist." . "Sarpogrelate is a 5-HT2A/ 5-HT2B receptor antagonist which blocks serotonin-induced platelet aggregation." . "Please note there is some ambiguity in the literature and on other resources as to the exact stereochemistry of sergolexole. The structure shown here is drawn from the INN document. Sergolexole is represented on PubChem by CID 60262, which has specification of stereochemistry for fewer chiral centres that the INN document and our structure. The ChEMBL entry CHEMBL2110594 represents the same structure as PubChem." . "Thiothixene is a thioxanthene class typical antipsychotic drug acting principally as a 5-HT2A receptor antagonist." . "Marketed formulations may contain trazodone hydrochloride (PubChem CID 62935)." . "Trifluoperazine is a phenothiazine class typical antipsychotic drug, acting principally as a dopamine D2 receptor antagonist." . "Please note that the structure shown here does not specify the position of the tritiated hydrogen atoms." . "Melatonin is a hormone involved in regulating circadian rhythms in animals. Melatonin activates a family of melatonin receptors.

SARS-CoV-2 and COVID-19: The effect of viral infection (including by influenza and SARS-CoV-2) on the melatonergic pathway, and how this might modulate the inflammatory response was reviewed by Anderson and Reiter in May 2020 ." . "There is some ambiguity as to the exact structure of tegaserod. The structure shown here is PubChem match using the CAS number submitted to the WHO for the INN. Alternative structure renderings for tegaserod are numerous: PubChem CID 5362436 has the highest submitter consensus in PubChem but may not match renderings in references for the biological activity; CID 5487301, and CHEMBL76370 are further alternatives.
Marketed formulations include tegaserod maleate (PubChem CID 6918369)- again with the caveat of alternative representations." . "RS 67333 is a partial agonist of the 5-HT4 receptor ." . "Cisapride is an enantioneric mixture and we show the non-stereoisomeric structure here to represent the mixture. One stereoisomeric structure is shown by CHEMBL560739.
Cisapride must be used with caution due to reports of drug-induced arrhythmias and long QT syndrome. Although this drug was originally given marketing approval by the US FDA in 1993, all registered formulations have since been discontinued. In the EU (since 2002) conditions of use have been applied to active marketing authorisations for cisapride containing medicinal products." . "Metoclopramide is a promarily dopamine receptor antagonist, but it also exhibits mixed 5-HT3 receptor antagonist/5-HT4 receptor agonist activity." . "Marketed formulations contain mosapride citrate (PubChem CID 119583)." . "Prucalopride is a serotonin 5-HT4 receptor agonist." . "There is some ambiguity in the literature as to the exact stereochemistry of tropisetron. The structure shown here matches the INN-assigned structure and is the same as the the ChEBI and ChEMBL entries linked to above. There is no exact match in PubChem for the structure shown here." . "Cyproheptadine is a histamine H1 receptor antagonist, and also antagonizes serotonin receptors." . "ChEMBL entry CHEMBL1743263 represents an alternative stereochemistry for this compound." . "The INN-assigned compound aceclidine is a racemic mixture of two enantiomers: S(+)-aceclidine and R(-)-aceclidine. Note that ChEMBL represents this compound without the charge in the entry CHEMBL608828." . "Note that this compound is represented in ChEMBL without specification of stereochemistry by CHEMBL1194836." . "The INN-assigned compound aceclidine is a racemic mixture of two enantiomers: S(+)-aceclidine and R(-)-aceclidine. This compound is represented in ChEMBL without the charge by CHEMBL612034." . "McN-A-343 is considered a bitopic ligand for muscarinic acetylcholine receptor in that it modulates allosteric and orthosteric binding sites ." . "Arecoline is an alkaloid derived from the betel nut. It acts as a cholinomimetic." . "Bethanechol is structurally and pharmacologically related to .
Marketed formulations may contain bethanechol chloride (PubChem CID 11548)." . "Carbachol is a cholinergic agonist acting at both muscarinic and nicotinic receptors." . "Oxotremorine-M is an orthosteric agonist of muscarinic acetylcholine receptors." . "Pilocarpine is a parasympathomimetic alkaloid type cholinergic drug, exerting its clinical effects via activation of muscarinic acetylcholine M3 receptors." . "From the venom glands of the Eastern green mamba (Dendroaspis angusticeps)" . "MT2 (m4-toxin), like MT7 (ml-toxin), is a toxin from the venom of the Eastern green mamba (Dendroaspis augusticeps)." . "MT3 (M4-toxin), like MT7 (M1-toxin), is a toxin from the venom of the Eastern green mamba (Dendroaspis augusticeps) ." . "Recombinant MT7 (rMT7) is often used for bioassays due to the limited availability of the M1 muscarinic receptor-selective mamba toxin MT7 or m1-toxin 1 (rMT7 has comparable affinity for M1 )" . "The approved drug methylscopolamine bromide consists of N-methyl scopolamine and bromide ions. There is some ambiguity in the literature and in other databases surrounding the exact stereochemistry of N-methyl scopolamine. Alternative representations include CHEMBL3140030 and CHEMBL376897." . "Atropine is a muscarinic acetylcholine receptor (mAChR) antagonist." . "Darifenacin is a muscarinic acetylcholine M3 receptor antagonist." . "The PubChem record for hexocyclium metilsulfate is CID 101587." . "Isolated from the bark of Australian magnolias" . "The approved drug and INN-assigned compound is ipratropium bromide, and is a racemic mixture of two enantiomers. We depict the non-bromide parent compound, and our structure does not specify stereochemistry and represents the mixture. The PubChem and ChEMBL entries linked to above also show the non-isomeric structure. The PubChem entries which represent the two enatiomers found in the racemate are CID 657309 and CID 43232. Bioactivity data on PubChem is split between the parent compound and the bromide form. Our references specify bioactivity data for the parent compound." . "We do not specify any chiral centres in the image of this molecule. ChemSpider ID: 21376328 is an example with stereo chemistry included." . "Pirenzepine muscarinic acetylcholine receptor antagonist, selective for the M1 receptor subtype." . "Propantheline is a non-selective muscarinic acetylcholine receptor antagonist." . "There is no exact match in PubChem for the structure that we show here. However, there is activity data listed against CID 3000322, which has different stereochemistry. Our structure and its stereochemistry is in consensus with the entries on the databases linked to above." . "Major active metabolite of the drug . Note that alternative representations of this compound depict the double bonds in a different position. These include CHEMBL845." . "K252a is an alkaloid isolated from Nocardiopisis soil fungi. It is an analogue of staurosporine. There is some ambiguity surrounding the exact stereochemistry of this compound, with an alternative representation being CID 3035817." . "Analogue of staurosporine" . "The INN-assigned compound is in complex with chloride. However, as our data is derived from use of the 'parent' compound rather than the complex, it is this structure we have chosen to display and to which the majority of the links in the table above refer to. There is some ambiguity as to the exact stereochemistry of alcuronium. CID 5360723 represents an alternative isomer." . "Brucine is a bitter alkaloid toxin, closely related to . It produces paralysis of sensory nerves and peripheral motor nerves." . "Staurosporine is a non-specific, ATP-competitive inhibitor of protein kinase C (PKC) isolated from a Streptomyces strain . It inhibits all PKC enzyme isoforms , but has a more potent inhibitory effect on PKCs associated with the cell membrane compared to cytosolic PKCs.
Staurosporine analogues such as and are being investigated as therapeutics." . "Strychnine is a neurotoxin." . "The position of the tritiated hydrogen is not specified in the available literature, therefore is not shown in the structure here." . "In addition to being an INN-assigned compound itself, dexetimide is one of the enantiomers of the INN-assigned racemic compound benzetimide. The other enantiomer of benzetimide is ." . "Dicyclomine is a non-selective muscarinic acetylcholine receptor antagonist." . "The approved drug contains three iodine ions and is called gallamine triethiodide. This drug is known as a nondepolarizing neuromuscular blocking drug (NDMRD)." . "Imipramine is a tricyclic antidepressant (TCA)." . "Levetimide is one of the two enantiomers found in INN-assigned racemic mixture benzetimide, the other being . These three compound names have been used interchangeably to describe this ligand." . "Oxybutynin is a racemic mixture of stereoisomers. We show the non-chiral molecule to represent the mixture. PubChem lists all 3 isomers here." . "Marketed formulations may contain tolterodine tartrate (PubChem CID 443878)." . "Clidinium is an antagonist of the muscarinic M1 and M3 acetylcholine receptors. The branded drug Librax® contains clidinium bromide and ." . "We have chosen to display the structure of the parent compound, tiotropium, as this reflects the compound used in the experimental data listed under the 'biological activity' tab, and the links in the table above also represent the parent compound. However, the INN-assigned compound is in complex with bromide, the approved drug is also administered in this preparation. Note that the activity data in PubChem for this compound is split between the parent and the preparation with bromide." . "The reference for our activity data specifies that this compound is the RS-form, therefore a mixture of the (R) and (S)-isomers . The conformation of these isomers is dependent on the position of the phenyl group in relation to the hydroxy group. We do not specify stereochemistry at this position in our image therefore this ligand entry represents the mixture. Note that the ChEMBL entries CHEMBL258534 and CHEMBL224874 are records of the (R) and (S)- stereoisomers of this compound respectively." . "The tautomer represented by this ligand entry is the same as that shown in the listed references, and represented by the ChEMBL entry and CAS number listed above. The structure on the PubChem entry linked to above shows a different tautomer, with InChi Key IFNPALBTVAZLMZ-UHFFFAOYSA-N." . "There is some variation in the structure for this compound represented on other databases. The structure shown here is that represented in the references and and on ChEMBL." . "The tautomeric structure shown here is replicated from and may not be identical to representations of the same compound in different databases, where additional tautomers may be shown e.g. CID 11364614." . "The tautomeric structure shown here is replicated from and may not be identical to representations of the same compound in different databases, where alternative tautomers may be shown e.g. CID 18454379." . "The tautomeric structure shown here is replicated from and may not be identical to representations of the same compound in different databases, where alternative tautomers may be shown e.g. CID 10217693." . "The tautomeric structure shown here is replicated from the references listed and may not be identical to representations of the same compound in different databases, where alternative tautomers may be shown e.g. CID 44451245." . "SCH 58261 is a selective adenosine A2A receptor antagonist used as a research tool compound . Reports of its effect in models of Parkinson's disease have been published ." . "Caffeine is a central nervous system stimulant that causes increased alertness and agitation." . "The name 'flavone' is used to refer to the simplest structure within a class of compounds with the backbone structure 2-phenylchromen-4-one, generally referred to as the flavones." . "A flavonol found in high concentrations in Alpinia officinarum and other members of the ginger family, that is used in traditional Chinese medicine." . "Theophylline the parent compound and component of the approved drug aminophylline. Aminophylline is a drug combination that contains theophylline and ethylenediamine (EDTA) in 2:1 ratio." . "Piclidenoson is a selective agonist of the adenosine A3 receptor. It has anti-inflammatory action which is being investigated for translation to the clinic .
Early investigations revealed anti-cancer effects ." . "The position of the tritiated hydrogen(s) is not specified in the available literature therefore our structure does not show the position of the radiolabel." . "This compound is also used experimentally as a tritiated probe (CID 57340199). Please see the reference listed on this ligand entry for more details." . "AS101 has shown anti-inflammatory effects in vitro and in vivo . It inhibits the proteolytic activity of caspase 1 (a.k.a. IL-1β converting enzyme), inhibits IL-10 synthesis and potentiates IL-1α, IL-2 and TNFα release." . "The ChEMBL entry linked to above represents an alternative tautomer." . "Agonist at alpha and beta adrenoceptors. In addition to being assigned the INN epinephrine in its own right, (-)-adrenaline is also one of the enantiomers found in the INN-assigned compound ." . "[125I]HEAT and [125I]BE2254 are the same compound, and when referred to in the literature, are interchangeable. HEAT is an antagonist of α1-adrenoceptors." . "Methoxamine is an brain-penetrant α1-adrenoceptor agonist." . "A racemic mixture of (+)-noradrenaline and (-)-noradrenaline. The structure show here does not specify stereochemistry and represents the mixture." . "Marketed formulations may contain phenylephrine hydrochloride (PubChem CID 5284443)." . "Note that the chemical structure in the ChEMBL record accessed via the link above, is the non-chiral molecule." . "The following stereoisomers and enantiomers of niguldipine exist: R(-)-niguldipine (, INN), and S(+)-niguldipine." . "Tamsulosin is a selective α1A-adrenoceptor antagonist drug." . "Silodosin an α1-adrenoceptor antagonist with selectivity for prostate adrenoceptors (mainly the α1A subtype)." . "Indoramin is a selective antagonist of α1-adrenoceptors ." . "Phentolamine is a non-selective alpha-adrenergic receptor antagonist." . "Marketed formulations may contain prazosin hydrochloride (PubChem CID 68546)." . "Marketed formulations may contain noradrenaline tartrate (PubChem CID 25127519)." . "From Conus tulipa (Fish-hunting cone snail or Tulip cone)" . "α-methylnoradrenaline (corbadrine) is a catecholamine sympathomimetic drug." . "The preparation of adrenaline/epinephrine assigned the INN racepinefrine is an racemic mixture of the enantiomers (+)-adrenaline and (-)-adrenaline. The structure shown here does not specify stereochemistry and represents the mixture." . "Clonidine is an α2 adrenoceptor agonist.
The structure shown here is in the amino form. A tautomeric imino form, represented by CHEBI:3757 also exists." . "Marketed formulations contain xylometazoline hydrochloride (PubChem CID 5282386)." . "Brimonidine is an α-adrenoceptor agonist (primarily α2)." . "Dexmedetomidine is a somewhat selective α2-adrenoceptor agonist with sedative properties." . "Guanfacine is a centrally acting sympatholytic drug acting via activation of α2-adrenoceptors." . "Xylazine is used by vets as a large animal sedative, often in combination with . It has sedative, anesthetic, muscle relaxant, and analgesic effects. The marketed formulation contains xylazine hydrochloride (PubChem CID 68554)." . "Dobutamine is a β-adrenergic receptor agonist." . "Isoprenaline is a β-adrenoceptor agonist drug." . "Atenolol is a selective β1-adrenoceptor antagonist (β blocker), developed as a replacement for ." . "Betaxolol is a cardioselective β1-adrenoceptor antagonist." . "Bupranolol is a β-adrenoceptor antagonist (beta blocker) with a similar potency to ." . "Carvedilol is a non-selective β blocker" . "The approved drug metoprolol is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture. The two enantiomers are represented by PubChem entries CID 157717 and CID 157716." . "The approved drug nadolol consists of equimolar amounts of four stereoisomers, therefore structures shown on other sites may vary in the representation of the stereochemistry. The structure shown here is representative of one of these isomers." . "The PubChem link above links to a chemical structure for apelin-36." . "A synthetic analogue of bombesin" . "Synthetic analogue of GRP" . "The approved drug practolol is mixture of two enantiomers; (R)-practolol and (S)-practolol. The structure shown here does not specify stereochemistry and represents the mixture." . "Ephedrine is a sympathomimetic amine, hypothesised to act principally as a β-adrenoceptor agonist. Natural ephedrine is used in Chinese traditional medicine as a treatment for asthma and bronchitis.
Chemically, ephedirine can exist as four stereoisomers: the (1R,2S) and (1S,2R) pair of enantiomers is known as ephedrine ( with the INN racephedrine aknowledging the racemic mixture), while (1R,2R) and (1S,2S) pair is known as . The (1R,2S) isomer is also named (-)-ephedrine or D-ephedrine. The (1S,2S) isomer being (+)-ephedrine or L-ephedrine. Pseudoephedrine is much less active than ephedrine." . "Fenoterol is a short-acting β2-adrenoceptor agonist (sympathomimetic) drug. The clinically used drug is a racemic mixture of enantiomers. We show the structure without specified stereochemistry to represent the mixture. The (S,R) and (R,S) enantiomers are much less active tha the (S,S) and (R,R) enantiomers." . "The approved drug salbutamol is a racemic mixture of two enantiomers: ((R)-salbutamol) and (S)-salbutamol. The structure shown here does not specify stereochemistry and represents the mixture. The US FDA approved this drug with the name albuterol.
Marketed formulations may contain salbutamol sulfate (PubChem CID 9884233).
Salbutamol is termed a 'short-acting beta-agonist' (SABA)." . "From Litoria aurea (Green and golden bell frog). The PubChem entry linked to above represents a chemical structure for this ligand." . "Marketed formulations may contain salmeterol xinafoate (PubChem CID 56801)." . "Terbutaline is a fast-acting β2-adrenoceptor agonist (sympathomimetic) drug." . "The approved drug alprenolol is a racemic mixture of the R and S isomers. We show the non-stereo structure to represent the mixture." . "The approved drug propranolol is a racemic mixtue of and . We show the non-stereo molecule to represent the mixture." . "Marketed formulations may contain timolol maleate (PubChem CID 5281056)." . "The INN-assigned compound carazolol is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemisty and represents the mixture. The two enantiomers are represented on PubChem by CID 13023332 and CID 13023331. Please note that the PDB entry for this ligand linked to above specifies the S isomer (CID 13023332)." . "Levobunolol is a nonselective β-adrenoceptor antagonist." . "The INN-assigned compound tertatolol is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture." . "Synthetic analogue of peptide C5a" . "C5a is the ligand for the GPCR, C5a receptor (CD88) that is expressed by macrophages, neutrophils and endothelial cells. C5a is a potent inflammatory agent that is a key mediator involved in the pathogenesis of a number of inflammatory diseases involving the complement system (sepsis, rheumatoid arthritis, inflammatory bowel disease, systemic lupus erythemotosis and psoriasis for example)." . "C5a des-Arg is a natural breakdown product of C5a via the serum enzyme carboxypeptidase B from 74 to 73 amino acids." . "Synthetic analogue of peptide C5a" . "PMX53 is a C5aR antagonist ." . "Angiotensin (1-7) is a naturally occurring peptide that is cleaved from angiotensin 1 or angiotensin 2 by the actions of the enzymes ACE2 and MME respectively." . "As is the case with many peptide molecules, there is some ambiguity surrounding the stereochemistry of angiotensin I, therefore the chemical structure shown here may differ slightly from that shown on other resources." . "Candesartan is an angiotensin II receptor antagonist. The compound is administered as the prodrug candesartan cilexetil (Atacand®)." . "Eprosartan is an antagonist of the type 1 angiotensin II receptor (AGTR1).
Marketed formulations may contain eprosartan mesylate (PubChem CID 5282474)." . "Irbesartan is an angiotensin receptor antagonist." . "Expressed by the skin glands of the northern leopard frog (Rana pipiens)" . "Losartan is an angiotensin II (AT2) receptor antagonist drug." . "Marketed formulations may contain olmesartan medoxomil (PubChem CID 130881)." . "Telmisartan is an angiotensin II (AT2) receptor antagonist drug." . "Analogue of angiotensin II" . "As with many peptide molecules there is variation in the representation of the chirality of saralasin. The structure shown here does not specify stereochemistry and is the same as that shown in the PubChem entry linked to above." . "The human peptide is identical to mouse and rat sequences" . "Farnesoid X receptor (bile acid receptor FXR) agonist" . "Cholic acid is a primary bile acid. Along with , it is one of the two major bile acids synthesized from cholesterol in the liver." . "Endogenous deoxycholic acid is a secondary bile acid produced by intestinal bacteria. Bile acids help the body absorb dietary fats from the gut." . "NMB-10 sequence is identical across human, mouse, rat and pig" . "Synthetic analogue of bombesin" . "Originally isolated from the skin of Bombina orientalis (oriental fire-bellied toad). As with many natural peptide ligands, there is some ambiguity in the literature and on other resources as to the exact stereochemistry of bombesin. The structure shown here matches those in the PubChem and ChEMBL entries that can be accessed via the Database Links table." . "Synthetic analogue of bombesin" . "Synthetic analogue of bombesin" . "Synthetic analogue of bombesin" . "Synthetic analogue of bombesin" . "Synthetic analogue of kallidin" . "Synthetic analogue of bradykinin/kallidin" . "Synthetic analogue of kallidin" . "Synthetic analogue of bradykinin" . "This is a metabolocally stabilised analogue of bradykinin (BK) . It ellicits a hypotensive effect in LPS-treated rabbits ." . "Synthetic analogue of T-kinin" . "Synthetic fragment of kallidin" . "Synthetic fragment of kallidin" . "The rat, mouse and human sequences are identical." . "Synthetic analogue of bradykinin" . "Synthetic analogue of bradykinin" . "Synthetic analogue of bradykinin" . "Olcegepant is a non-peptide calcitonin gene-related peptide receptor antagonist being investigated as a potential migraine therapeutic ." . "Synthetic analogue of bradykinin. There is some ambiguity in the literature and on online resources as to the exact chemical structure and stereochemistry of icatibant." . "Synthetic analogue of bradykinin" . "Synthetic analogue of bradykinin. N.B. the amino acid sequence is common to the human and rodent peptides" . "Synthetic analogue of bradykinin" . "Synthetic analogue of bradykinin" . "This peptide is an isoform of , encoded by the same gene and produced by alternative splicing. Please note that each peptide is represented by a different UniProt ID." . "Adrenomedullin is 52 amino acid peptide which is mainly expressed in endothelial and smooth muscle cells. It acts as a vasodilatory peptide and it is known to regulate endothelial barrier function and vascular tone. Evidence from animal models indicates that it is a key player in the development of sepsis-associated hemodynamic and microcirculatory disorders." . "For an image and identifiers representing the chemical structure of human calcitonin, please see the PubChem entry linked to from this ligand page. The gene encoding human calcitonin also encodes two other isoforms: katacalcin and ." . "Amylin acts as an appetite suppressor. Novo Nordisk have a long-acting amylin mimetic (AM833, NNC0174-0833) in clinical trials with and without . AM833 is intended as a treatment for obesity. In the trials it is administered subcutaneously, once-weekly. Preliminary (and as yet unpublished) results from a Phase 2 trial as monotherapy demonstrated weight loss of 10.8% at week 26, meeting the study's primary endpoint (Novo Nordisk press release 18 Jun 2020)." . "Synthetic analogue of human α-CGRP" . "This peptide is an isoform of calcitonin, encoded by the same gene and produced by alternative splicing." . "Synthetic analogue of human αCGRP" . "Fragment of α-CGRP" . "Synthetic fragment of α-CGRP" . "Telcagepant (MK-0974) is a calcitonin gene-related peptide receptor antagonist. It was developed by Merck for the acute treatment and prevention of migraine." . "Synthetic fragment of rat adrenomedullin" . "Synthetic fragment of rat adrenomedullin" . "Synthetic fragment of human ." . "Neomycin is an aminoglycoside antibacterial. Neomycin is active against Gram-negative bacteria, and partially active against Gram-positive bacteria. Standard grade neomycin is a mixture of several related compounds, including neomycin A (neamine), neomycin B (framycetin) and neomycin C, with neomycin B being the most active component. We show the structure of neomycin B here." . "CP55940 is a synthetic, non-selective cannabinoid receptor agonist ." . "O-1812 is a synthetic analogue of the endocannabinoid, ." . "There is some ambiguity surrounding the exact chirality of this ligand. An alternative representation is CID 3081854." . "EMA-only approval in 2007 withdrawn on 16 January 2009" . "HU308 is a synthetic cannabinoid. Its acts as a CB2 receptor agonist and has anti-inflammatory activity. The chemical structure of HU308 matches that for the INN compound onternabez that was surfaced in WHO Proposed list 125 in July 2021." . "SR144528 is a selective CB2 receptor antagonist with potential anti-inflammatory action." . "Photoaffinity analogue of human CCL3" . "The ligand is cleaved from the precursor C-C motif chemokine 14 (represents residues 20-93)" . "CCL15 is a CC chemokine." . "CCL23 is a CC family chemokine." . "CCL3 is a CC family chemokine more commonly referred to as macrophage inflammatory protein-1α or MIP-1α. It acts in a dimer with CCL4 (MIP-1β) ." . "CCL4 is a CC family chemokine more commonly referred to as macrophage inflammatory protein-1β or MIP-1β. It acts in a dimer with CCL3 (MIP-1α) ." . "CCL8 (also known as MCP-2) is a CC family chemokine." . "CCL5 (also known as RANTES- an acronym for regulated on activation, normal T cell expressed and secreted) is a CC family chemokine, that has HIV suppressive activity, as do the related CD8+ T cell chemokines and ." . "CCL7 is a CC family chemokine, most closely related to ." . "Fluorescent analogue of human CCL3" . "BX 471 is a potent, selective and orally active CCR1 antagonist ." . "CCL11 (commonly refered to as eotaxin) is an eosinophil chemotactic chemokine." . "CCL13 is a CC chemokine." . "CCL2 (generally known as MCP-1) is a CC family chemokine. It acts via the G protein-coupled receptors CCR2 and CCR4." . "The secreted protein product from the U83 gene from human herpes virus 6. The precise sequence is undetermined. The paper describes that U83 was cloned from HHV6B DNA" . "CCL24 is a CC family chemokine." . "CCL26 is a CC family chemokine." . "There is some ambiguity online as to the exact stereochemistry of INCB3344." . "A viral chemokine from Molluscum contagiosum virus. The peptide appears to exist in two forms MC148R1 and MC148R2 . The sequence provided here is for MC148R2, which has GenBank protein accession number AAB72041. MC148R1 has peptide sequence MRGGDVFASV VLMLLLALPR PGVSLARRKC CLNPTNRPIP NPLLQDLSRV DYQAIGHDCG REAFRVTLQD GRQCVSVGNK SLLDWLRGHK DLCPPQIWSG CESL ." . "RS-102895 is a CCR2b antagonist . The endogenous ligand for this GPCR is monocyte chemoattracant-1 (MCP-1), which stimulates leukocyte chemotaxis to inflammatory sites." . "RS-504393 is a highly selective CCR2 antagonist." . "TAK-779 is a dual CCR2/5 antagonist. It binds the orthosteric ligand binding domain of the receptors." . "This is the mouse homolog of human ." . "C-terminally truncated form of human cytoplasmic TyrRS" . "Synthetic analogue of human CCL18. This synthetic peptide has an amino acid substitution at the N-terminus. The reference states that a C-terminally-extended variant produced as a result of a frameshift mutation (ending in LKLMPEA) showed identical antagonist activity to the structure shown here" . "CCL17 is a CC family cytokine." . "CCL22 is a CC family chemokine. It is one of the endogenous agonists for the chemokine receptor CCR4." . "Cenicriviroc is a C-C motif chemokine receptor-2/5 (CCR2/5) antagonist. It was primarily designed for anti-inflammatory potential, but it also has antifibrotic effects, and acts as an entry inhibitor for HIV infection (via CCR5 antagonism)." . "Ancriviroc (SCH351125) is an orally available, small molecule antagonist of the C-C chemokine receptor type 5 (CCR5) expressed on T cells . The compound was originally investigated as an anti-HIV therapeutic . SCH351125-induced CCR5 blockade was investigated for action in treating rheumatoid arthritis, but with discouraging clinical trial results . Other CCR5 antagonists ( and ) have also proven ineffective in RA clinical trials .

There is some ambiguity in the literature and online databases as to the exact structure of ancriviroc. The structure shown here matches that in the PubChem entry linked to above, and as shown in , while other common representations of ancriviroc match CID 5479787." . "Aplaviroc was being investigated in clinical trial as a potential treatment for HIV infection. Concerns over liver toxicity and low efficacy lead to termination of the development project." . "Maraviroc is a small molecule antagonist of the C-C chemokine receptor type 5 (CCR5) expressed on T cells.

The stereochemistry of maraviroc as specified by the PDB compound link varies from that specified in our structure and that of CID 3002977.The compound is represented on ChEMBL by CHEMBL1201187." . "CCL20 is a CC family chemokine. It is the only identified ligand for the chemokine receptor CCR6." . "CCL19 is a CC family chemokine." . "This is the rat homolog of human ." . "CXCL11 is a C-X-C motif chemokine. It exerts its biological effects via interaction with the CXCR3 GPCR." . "CCL21 is a CC family chemokine. It has a unique six conserved cysteine residue structure instead of the four typical of other chemokines." . "CCL1 is a chemokine. The receptor for CCL1 is CCR8." . "ZK 756326 is a selective, non-peptide CCR8 agonist ." . "71 amino-acid long protein; the precise sequence is not specified by the supplier in the reference" . "Viral CC chemokine gene product encoded by Molluscum contagiosum virus ORF MC148R. The exact structure is not specified by the reference" . "CCL25 is a CC family chemokine." . "CXCL1 is a C-X-C motif chemokine expressed by macrophages, neutrophils and epithelial cells, that acts via the chemokine receptor CXCR2. CXCL1 is expressed by keratinocytes and endothelial cells at sites of epithelialization and neovascularization in the process of wound healing ." . "Human CXCL6 is most closely related to CXCL5." . "The CXCL8 (IL-8) chemokine is upregulated at sites of inflammation where it promotes neutrophil infiltration and activation. It can form homodimers and heterodimers with CXCL4." . "CXCL2 is a C-X-C motif chemokine. It is 90% homologous to ." . "CXCL3 is a C-X-C motif chemokine." . "Bioactive CXCL5 is 78 aa in length, cleaved form a 114 aa presursor peptide. It can be N-terminally cleaved by cathepsin G and chymotrypsin to CXCL5-74 and CXCL5-70." . "CXCL7 (neutrophil-activating peptide 2, NAP-2) is one of the cleavage products of the pro-platelet basic protein (PPBP) gene. Connective tissue activating protein III and beta-thrombogulin are also products of this gene." . "Synthetic radiolabelled analogue of the mouse KC (CXCL1)" . "SB 225002 is a potent and selective, non-peptide CXCR2 (IL-8RB) antagonist . CXCR2 mediates IL-8-induced neutrophil chemotaxis and margination." . "CXCL10 is a C-X-C motif chemokine preferentially expressed by Th1 lymphocytes. It exerts its biological effects via interaction with the CXCR3 GPCR." . "CXCL9 is a chemokine. It acts as a chemoattractant for activated T cells and tumour-infiltrating leukocytes, but not for neutrophils or monocytes." . "NBI-74330 is a potent and selective CXCR3 antagonist . CXCR3 is predominantly expressed on T helper type 1 (Th1) cells that are involved in inflammatory diseases. The endogenous ligands for CXCR3 are CXCL9, CXCL10, and CXCL11 that are produced at inflammatory sites and are pro-chemoattractant towards pathological Th1 cells." . "Isolated from Streptomyces alboflavus" . "Extracted from Trillium erectum L. (roots).

Beware that the name hypoglaucin A is often confused with hypoglycin(e) which is an entirely different compound." . "Isolated from the leaves of Syagrus orinocensis. The structure of kallstroemin D is shown here without representing the compound's complex stereochemisty. Please see the listed reference for an image of the exact structure." . "Plerixafor (AMD3100) is an antagonist of the chemokine (C-X-C motif) receptor 4 (CXCR4) . It acts as a stem cell mobiliser." . "CXCL12-1α and β were the first isoforms of this chemokine identified. Both proteins contain a signal peptide sequence that medaites their secretion via the canonical intracellular secretory pathway. CXCL12 participates in a variety of processes central to homeostasis and physiology, exerting its biological effects by binding to the chemokine receptors CXCR4 and CXCR7." . "A homodimeric synthetic peptide consisting of two CXCL12 1-9 subunits" . "Dimeric ligand with identical subunits consisting of the first 9 amino acids of SDF-1 (common to the α and β chains). Proline residue 2 of the natural sequence is replaced by glycine. The structure of each subunit is shown under the structure tab" . "CXC chemokine ligand (CXCL) 16 is a ligand for chemokine receptor CXCR6. Once cleaved from the cell membrane CXCL16 acts as a chemoattractant for activated CD8 T cells, NKT cells and Th1-polarized T cells that express CXCR6." . "This is the only member of the CX3C chemokine family ." . "Cleaved from the 115 amino acid endogenous peptide cholecystokinin. There is some ambiguity in the exact stereochemistry of CCK-4. The structure shown here does not specify stereochemistry and is also represented by the PubChem CID in the table above. CID 446569 and CHEMBL120632 represent the compound with stereochemistry." . "The sulphated form of CCK-8. A synthetic variant, desulphated CCK-8 also exists." . "There seems to be some disagreement surrounding the exact chemical structure and stereochemistry of pentagastrin, with the alternative representation being CHEMBL1328, which corresponds to CID 9853654." . "Rebamipide is an amino acid derivative of 2-(1H)-quinolinone with gastroprotective action ." . "There is some ambiguity in representations of devazepide in the literature and in other databases. The structure shown here does not specify stereochemistry; however the INN-aligned structure for this compound specifies an 'S' configuration of the amino group in the centre of the molecule, giving systematic name (3S)-3-amino-1-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (see CHEMBL9506)." . "The INN-assigned compound is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture." . "The INN-assigned compound loxiglumide is a racemic mixture of two enantiomers. The structure shown here does not specifiy stereochemistry and represents the mixture." . "A synthetic analogue of cholecystokinin" . "This ligand is a stereoisomer of and the names of the two compounds have been used interchangeably in the literature." . "Isolated from a culture broth of Streptomyces sp. NR0489 ." . "Sphingosine 1-phosphate (S1P) is a zwitterionic lyso-phospholipid product of the sphingosine biosynthetic pathway. It is a result of the phosphorylation of sphingosine by two well characterised kinases, SPHK1 and SPHK2 (sphingosine kinase 1 and 2). SPHK1 is predominately extracellular and SPHK1 intracellular. Sphingosine itself is produced by the N-deacylation of ceramide by the enzyme ceramidase." . "Isolated from the skin of the Sauvage's leaf frog (Phyllomedusa sauvagei)" . "The human UCN sequence differs from mouse and rat sequences at residues 2 and 4 representing asparagine and serine respectively." . "The human UCN sequence differs from the mouse and rat sequences at residues 2 and 4 representing asparagine and serine, respectively. The mouse and rat sequences are identical." . "Peptide isolated from the white sucker fish (Catostomus commersonii)" . "Urocortin-3 (stresscopin) is a corticotropin-releasing factor type 2 receptor (CRF2R) agonist. In clinical trial for decompensated heart failure it has demonstrated short-term, dose-dependent efficacy in improving cardiac index and systemic vascular resistance." . "The mouse Ucn3 sequence is identical to the rat Ucn3 sequence." . "(+)-sulpiride is component of the approved drug ." . "This isomer is component of the approved drug Fenoldopam, which is used to treat severe hypertension. (+)-SKF-82526 is the more active isomer. See our ligand entry for for more details." . "ChEMBL represents this compound with specified stereochemistry with the entry CHEMBL330274." . "SKF-38393 appears to be selective for dopamine D1-like receptors, comapred to the D2 receptor ." . "The structure of this compound is not specified in the available literature." . "The approved drug fenoldopam is a racemic mixture of and stereoisomers. We show the non-isomeric structure to represent this mixture. Marketed formulations may contain fenoldopam mesylate (PubChem CID 49659)." . "Dopamine is the precursor to norepinephrine () and epinephrine ()." . "Rotigotine is a non-ergoline type, dopamine receptor agonist drug. At clinical doses rotigotine acts somewhat selectively for D1-like (D1, D5) and D2-like (D2, D3, D4) receptors. α2B-adrenergic and 5-HT1A activity may also provide some clinical benefit." . "SKF-83566 is a dopamine receptor antagonist with selectivity for D1/D5 compared to D2 .
Note we have corrected the name of this ligand from SKF-83556 to SKF-83566.
SKF-83566 (30 μM) is reported to inhibit adenylyl cyclase 2 (AC2) activity by ~95% in vitro ." . "The approved drug flupentixol (aka flupenthixol) is the cis form. Flupenthixol is not approved for marketing by US FDA, but is available in other countries. For the structure of the trans form please see our entry for ." . "Marketed formulations may contain pramipexole dihydrochloride monohydrate (PubChem CID 166589)." . "The (-)-enantiomer of sulpiride is approved with the INN levosulpiride and is also a component of the approved drug ." . "The approved drug amisulpride is a racemic mixture of (+)-amisulpride and (-)-amisulpride. The structure shown here does not specify stereochemistry and represents the mixture. The links to external resources in the table above all match the INN-assigned compound amisulpride without stereochemistry specified. Alternative stereoisomers are represented by CID 5746246 and CID 3055076.

The INN-assigned compound sultopride has a similar but distinct structure to amisulpride; however the nomenclature for these two compounds is sometimes used interchangeably on other resources." . "Domperidone is an orally active, peripherally acting and selective antagonist of dopamine D2 and D3 receptors." . "This is the trans molecular form of the approved drug , which is the cis form. Trans-flupentixol has lower affinity than cis-flupentixol for the dopamine D2 and D3 receptors ." . "The INN-assigned structure nemonapride is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture." . "This isomer is a component of the approved drug fenoldopam, which is used to treat severe hypertension. (-)-SKF-82526 is less active than (+)-SKF-82526. See our ligand entry for for more details." . "Endothelin-1 (ET-1) is a 21-amino acid peptide produced in a variety of tissues including endothelial and vascular smooth-muscle cells, neurons and astrocytes in the central nervous system, and endometrial cells. It acts as a modulator of vasomotor tone, cell proliferation, and hormone production (for reviews see and ). As peptides defined by SMILES strings PubChem contains a number of alternative CIDs either with the name %22Endothelin-1%22 and/or Mw 2491.914. Our choice of PubChem CID 16212950 reflects the majority of sources submitting substance structures and assay data.
COVID-19: The level of ET-1 in plasma from COVID-19 patients positively correlates with clinical severity of illness . This finding suggests that endothelin receptor antagonists may provide a therapeutic option for some COVID-19 patients." . "The human ET-2 sequence differs from the mouse and rat sequence at residue 4 (serine instead of asparagine)." . "From the venom gland of Atractaspis engaddensis (Israeli burrowing asp)." . "A cyclic peptide" . "The human ET-3 sequence is identical to the mouse and rat ET-3 sequences." . "From Atractaspis engaddensis (Israeli burrowing asp). Representations of the chemical structure of sarafotoxin S6c can be found in the links above." . "17β-estradiol is the predominant form of circulating estrogen and is the endogenous agonist of the estrogen receptor α. In pre-menopausal women 17β-estradiol is mainly produced by the ovaries and placenta and is produced by adipose tissue in men and postmenopausal women." . "G-1 (LNS8801) is an orally bioavailable clinical stage, GPER-selective agonist." . "Fulvestrant is an estrogen receptor antagonist. It behaves as a selective estrogen receptor degrader (SERD). Fulvestrant binding triggers ERα's degradation by ubiquitination." . "Tamoxifen can be classed as a mixed agonist/antagonist of the estrogen -α and -β receptors, as its activity depends on the tissue in which the receptor is expressed. ChEMBL classify this compound as an ERα modulator, while it is described as a selective estrogen receptor modulator by Burris et al. in their 2013 review . Tamoxifen can be considered as a prodrug as its three main metabolites exhibit higher affinity and specificity than tamoxifen at the ERα and ERβ receptors." . "From the bacterium S.aureus" . "From the bacterium E.coli" . "A mitochondrial peptide" . "Originally isolated from Tolypocladium inflatum, cyclosporin A acts as a calcineurin inhibitor.
There is some ambiguity in the literature as to the exact stereochemistry of cyclosporin A. Other common representations on PubChem are CID 5280754, and CID 24883466." . "Synthetic analogue of cyclosporin A. Scifinder shows a chemical structure for cyclosporin H." . "Spinorphin corresponds to residues 32-38 of human beta-haemoglobin and has been identified in human cerebrospinal fluid ." . "Selective FPR2 antagonist peptide." . "Structure based on the phosphatidylinositol-4,5-bisphosphate (PIP2) binding site of gelsolin (GS 160-169)" . "Hp(2-20) is a cecropin-like peptide, which an identical sequence to the amino-terminal of ribosomal protein L1 in H.pylori ." . "Peptide agonist of FPR1, FPR2 and FPR3 receptors." . "GW9508 is a free fatty acid receptor (FFA1R, GPR40) partial agonist with a range of in vivo effects." . "Docosahexaenoic acid is an endogenous omega-3 fatty acid, activating all 3 retinoid X receptor isoforms. It has no activity at retinoic acid receptors (RARs), the thyroid hormone receptor or the vitamin D receptor (VDR)." . "Marketed formulations may contain rosiglitazone maleate (PubChem CID 5281055)." . "Butyric acid (butyrate) inhibits class I and II HDACs ." . "Synthetic analogue of substance P" . "Norrin is the protein product of the Norrie disease gene NDP. It is a secreted protein whose biochemical function is not yet fully understood." . "(-)-baclofen is a component of the approved drug baclofen, a racemic mixture of two enantiomers, as well as being assigned the INN arbaclofen in its own right." . "A dinucleotide polysphosphate with predicted effects on the cardiovascular system and neurotransmission, that are thought to be mediated by promoting release of NO or prostacyclin (PGI2), or by modulating potassium channel and/or purinergic receptor activities ." . "ChEMBL represents this compound without the charge with the entry CHEMBL112203." . "Synthetic analogue of human GHRH" . "The approved drug baclofen is a racemic mixture of two enantiomers; (R)-baclofen and (S)-baclofen. We show the non-stereo structure to represent the mixture." . "When this compound is produced in preparation with HCL it is called CGP 55845A" . "Pralmorelin (growth hormone-releasing peptide 2, GHRP-2) is an orally-active, synthetic peptide drug which acts as a growth hormone secretagogue. It is an analogue of and activates the growth hormone secretagogue (ghrelin) receptor." . "Radiolabelled analogue of human ghrelin" . "Radiolabelled analogue of human ghrelin" . "Major circulating form of the peptide." . "There is some ambiguity in the literature and on other resources as to the exact chemical structure and stereochemistry of ghrelin. In the absence of a consensus chemical structure, we have chosen not to include an image of the molecule on this ligand entry. However, for representations of the structure please see these CHEBI:75431, CHEMBL425281 and PubChem CID 16133832 entries." . "Hexarelin is a peptidomimetic of growth hormone releasing peptide-6 (GHRP-6), and is a growth hormone (GH) secretagogue." . "The structure of this peptide is not specified in the available literature." . "Synthetic analogue of rat GHRH" . "Synthetic analogue of human GHRH" . "A synthetic analogue of GHRH" . "A synthetic analogue of GHRH" . "A synthetic analogue of GHRH" . "A synthetic analogue of GHRH" . "A synthetic analogue of GHRH" . "A synthetic analogue of GHRH" . "A synthetic analogue of GHRH" . "Synthetic analogue of human GHRH" . "Synthetic analogue of human GHRH" . "Synthetic analogue of human GHRH" . "Synthetic analogue of human GHRH" . "Synthetic analogue of human GHRH" . "Synthetic analogue of human GHRH" . "Synthetic analogue of human GHRH" . "Synthetic analogue of human GHRH" . "Rat GIP differs from human at residues 18 (Arginine) and 40 (Leucine), and from mouse GIP at residues 30 (Lysine), 34 (Asparagine) and 40 (Leucine)." . "Synthesised fragment based on the porcine peptide" . "Synthesised fragment based on the porcine peptide" . "The sequence is identical in human, rat and mouse." . "Liraglutide is a synthetic analog of human GLP-1, with the addition of a palmitic acid moeity which acts to increase the drug's half-life and prolong its activity." . "This peptide is found in the venom of the Gila monster Heloderma suspectum. Exenatide is the synthetic form of the peptide used in clinical practice. Exendin-4 is a GLP-1 analogue/mimetic . There is some ambiguity surrounding the exact stereochemistry of exendin-4. Representations of the peptide's full chemical structure can be accessed using the PubChem, ChEMBL and ChEBI links that we provide in the Database Links table." . "Human, rat and mouse glucagon sequences are identical. The compound used as a drug is recombinantly produced." . "Exendin-(9-39) is a N-terminally truncated analogue of glucagon-like peptide 1 receptor (GLP-1R) agonist exendin-4. It acts as a GLP-1R antagonist, thus blocking the glucagonostatic and insulinotropic effects of GLP-1 . The C-terminally amidated peptide has the INN avexitide." . "Synthetic analogue of rat GLP-2" . "Human GLP-2(1-33) differs from rat and mouse in residues 11 (Asparagine) and 19 (Alanine)." . "Rat GLP-2(1-33) is different from mouse by one residue in position 11 (Asparagine) and also different by one residue from human in position 19 (Threonine)." . "A analogue of GLP-2 (1-33) (rat)" . "GLP-2(3-33) is the result of N-terminal dipeptide proteolytic cleavage of GLP-2(1-33) by serine protease dipeptidyl peptidase IV. GLP-2(3-33) is able to interact with GLP-2 receptors even though it remains unclear whether GLP-2(3-33) has a biological activity in vivo or may affect the biological activity of GLP-2(1-33) ." . "Rat GLP-2(3-33) is different from mouse by one residue in position 9 (Asparagine) but different by two residues from human in positions 9 (Asparagine) and 17 (Threonine).

GLP-2(3-33) is the result of N-terminal dipeptide proteolytic cleavage of GLP-2(1-33) by serine protease dipeptidyl peptidase IV. GLP-2(3-33) is able to interact with GLP-2 receptors even though it remains unclear whether GLP-2(3-33) has a biological activity in vivo or may affect the biological activity of GLP-2(1-33) ." . "Synthetic analogue of human GLP-2" . "N-terminal fragment of glucagon prepared by treating the native peptide with carboxypeptidase A" . "N-terminal fragment of glucagon" . "Synthetic analogue of glucagon" . "Synthetic analogue of glucagon" . "Sequences of human, mouse and rat VIP are identical

VIP was first isolated and sequenced from pig small intestine .

As with many peptide molecules, there is ambiguity surrounding representations of the exact stereochemistry of VIP. The structure shown here does not specify stereochemistry." . "Synthetic analogue of rat secretin" . "The porcine sequence has been used in pharmacological studies. It differs from the rat, mouse and human sequences." . "Synthesised fragment of porcine secretin" . "This entry represents urofollitropin, which is a purified form of FSH that is extracted from human menopausal urine." . "Based on the naturally occuring peptide FSH, this synthetic analogue consists of two synthetic subunits in which the glycosylated asparagine residues of the natural sequence are replaced by glycine residues" . "The approved drug lutropin alfa (INN) is the recombinant form of human LH and is composed of two subunits (α = 92 amino acids, β = 121 amino acids)." . "Radiolabelled synthetic analogue of GnRH I" . "Radiolabelled synthetic analogue of GnRH I" . "Varies from the human and rodent sequence for GnRH I at position 8 with glutamine in place of arginine" . "Synthetic analogue of GnRH I" . "Varies from the human and rodent sequences for GnRH I at position 8 with serine in place of arginine" . "Varies from the human, mouse and rat amino acid sequence for GnRH I at position 8, with a tryptophan residue in place of arginine" . "Synthetic analogue of GnRH I. N.B. the amino acid sequence of GnRH I is common to the human, mouse and rat peptides" . "Synthetic analogue of GnRH I" . "The marketed formulation contains leuprolide acetate." . "As is the case with many peptide molecules, there is some ambiguity as to the stereochemistry of triptorelin, therefore the chemical structure shown here may vary slightly from that displayed on the resources linked to from the table above. The marketed formulations contain triptorelin pamoate (PubChem CID 25074469) or triptorelin acetate (PubChem CID 25080282)." . "Abarelix is an injectable gonadotropin-releasing hormone (GnRH) receptor antagonist." . "There is some ambiguity surrounding the exact stereochemistry of antarelix. The structure shown here matches that in the PubChem entry linked to above, while another representation is shown by CID 70697627 and CHEMBL2103945." . "Cetrorelix is a synthetic GnRH receptor antagonist. Natural GnRH is a decapeptide hormone." . "A cyclic peptide" . "2-pyridylethylamine (dihydrochloride) is a histamine H1 receptor agonist." . "Histamine is a potent pro-inflammatory mediator that is principally released from mast cells. It is also involved in regulating physiological function in the gut, and acts as a neurotransmitter.
Histamine activates carbonic anhydrases, and is most potent at the CA5A and CA1 isoforms (KA values 10 and 2100 nM respectively) ." . "A component of the approved drug chlorpheniramine. (+)-chlorpheniramine is the more active isomer." . "A component of the approved drug Chlorpheniramine" . "Levocetirizine is an antihistamine, and is a component of the approved drug , but this enantiomer is approved in its own right." . "A component of the approved drug , but not approved in its own right." . "Arpromidine is a histamine H1 receptor antagonist." . "Cetirizine( hydrochloride) is an orally active and selective histamine H1 receptor antagonist. The approved drug is a racemic mixture of two enantiomers, and , each of which are listed on Guide to PHARMACOLOGY with activity data. The structure shown here does not specify stereochemistry and represents the mixture." . "Clobenpropit (dihydrobromide) is a highly potent H3 receptor antagonist and H4 receptor partial agonist." . "Diphenhydramine has anti-histamine action." . "Metiamide was an intermediate compound in the development process which identified the successful anti-ulcer drug ." . "Doxepin inhibits the sodium-dependent noradrenaline transporter SLC6A2." . "Arpromidine is a histamine H1 receptor antagonist." . "Mepyramine (also commonly referred to as pyrilamine) is a first generation antihistamine. As it can cross the blood-brain barrier easily it causes substantial drowsiness." . "Marketed formulations often contained triprolidine hydrochloride, but many of these have been discontinued." . "Cimetidine is a histamine H2 receptor antagonist." . "There is some ambiguity in the exact stereochemistry of ranitidine as represented in the literature and on other databases. The structure shown here matches that in the PubChem entry above. Other common representations include CID 657345. N.B. The structure shown in the INN document does not have a charge.
Marketed formulations may contain ranitidine hydrochloride (PubChem CID 3033332)." . "(R)-α-methylhistamine is a potent H3 receptor agonist." . "This compound exhibits functional selectivity for the histamine H3 receptor, displaying both agonist and antagonist actions, depending on the G protein content of the cells examined ." . "Imetit (dihydrobromide) is a standard H3 and H4 receptor agonist (affinity H3 > H4)." . "Immepip (dihydrobromide) is used as a standard H3 receptor agonist; also H4 agonist." . "CCL16 is a CC chemokine." . "HTMT (dimaleate) is a histamime H1 and H2 receptor agonist ." . "JNJ-10191584 is a selective, orally active antagonist of the histamine H4 receptor ." . "Synthetic fragment of kisspeptin" . "Synthetic fragment of MCH" . "Synthetic analogue of MCH, consisting of residues 6-17 of the natural sequence with one amino-acid substitution" . "Synthesised analogue of melanin-contrating hormone" . "Synthetic analogue of MCH" . "As is the case with many peptide molecules, representations of the stereochemistry of melanin-concentrating hormone might vary across some of the resources linked to above." . "Synthetic analogue of melanin-concentating hormone" . "Synthetic analogue of MCH" . "Synthetic analogue of melanocortin" . "Afamelanotide is a synthetic analogue of α-MSH, and is a first-in-class clinically used non-selective MC receptor agonist. It is used for certain dematological applications ." . "Synthetic analogue of human ASIP (agouti)" . "Synthetic fragment of ACTH. The sequence is the same in the human and rodent peptides" . "Synthetic fragment of ACTH. The sequence is the same for the human and rodent peptides" . "Synthetic analogue of γ-MSH" . "This compound is represented on ChEMBL without specified stereochemistry by CHEMBL362985." . "One of the metabolites of the approved drug melatonin." . "LY 156735 is a melatonin receptor agonist ." . "Ramelteon is a non-selective melatonin receptor agonist." . "From the mushrooms Amanita muscaria and Amanita pantherina" . "LY341495 is an antagonist of metabotropic glutamate (mGlu) receptors, with highest potency at the group II mGlu2, 3 and 8 receptors ." . "Representations of the stereochemistry of CPCCOEt in the literature vary, with the majority of sources specifying a 'flat' structure (as our listed references do), while a few detail (-)CPCCOEt." . "The structure of JNJ16259685 described in the reference by Laveryson et al. does not specify stereochemistry, however, representations elsewhere in the literature and on other database show chirality specified." . "LY379268 is a metabotropic glutamate receptor 2/3 agonist." . "This is the tritiated version of , but the tritium position is unspecified." . "There is no exact chiral match to this compound in PubChem. Alternative representations include CID 6604820 and CID 4302961." . "Analogue of the natural product erythromycin A" . "This compound has complex stereochemistry with multiple stereocentres, as represented by the image assigned the CAS number listed above. We represent ME36 as a flat structure, and our link to PubChem matches our structure." . "Synthetic analogue of human motilin" . "Synthetic analogue of human motilin" . "Synthetic analogue of human motilin" . "Synthetic analogue of human motilin. Other representations of this peptide in PubChem are CID 16130985 and CID 22833892." . "Synthetic analogue of human motilin" . "Synthetic analogue of human motilin" . "Erythromycin is a macrolide antibacterial produced by Streptomyces erythreus." . "The amino acid sequences of human and porcine motlin are the same. As with many peptide ligands there is some ambiguity in the literature and on online resources as to the exact stereochemistry of motilin. The structure shown here matches that in the PubChem and ChEMBL entries linked to above." . "Synthetic fragment of human motilin" . "Synthetic fragment of human motilin" . "Synthetic fragment of human motilin" . "Synthetic fragment of human motilin" . "Synthetic fragment of human motilin" . "Roxithromycin has numerous chiral centres; therefore there are varying representations of its stereochemistry across other databases, and activity data on PubChem is spread across many different entires. The structure shown here matches the entry on PubChem with the highest number of same structure matches, and also matches the ChEMBL entry linked to above." . "Circular peptide. Note that the ChEMBL link above displays the non-chiral chemical structure." . "Cleaved from canine neuromedin-U-25" . "Cleaved from porcine NMU-25" . "Synthetic analogue of neuropeptide FF" . "Modified RFamide" . "Synthetic fragment of porcine NPY" . "Synthetic fragment of porcine NPY" . "Synthetic fragment of porcine NPY" . "Synthetic analogue of the human/rodent NPY natural pepide sequence" . "Peptide YY is a neuropeptide Y2 receptor agonist. It has been investigated as a potential appetite suppressant ." . "The mouse, rat and pig sequences are identical. See the post-translational modifications for possible species-differences" . "Synthetic fragment of rodent/porcine PYY. PYY shares the same amino acid sequence across the three species" . "Synthetic analogue of porcine NPY" . "Synthetic analogue of porcine neuropeptide Y" . "Synthetic analogue of porcine PYY" . "Synthetic analogue of human PYY" . "Synthetic fragment of rat PYY" . "Synthetic fragment of rat PYY" . "Synthetic analogue of porcine neuropeptide Y" . "Synthetic fragment of human NPY" . "Synthetic fragment of porcine NPY" . "Synthetic fragment of porcine NPY" . "Synthetic fragment of porcine NPY" . "Synthetic fragment of porcine NPY" . "Fragment of porcine peptide YY (PYY)" . "Synthetic analogue of neuropeptide Y" . "Synthetic fragment of NPY. N.B. the amino acid sequence of NPY is common across human and rodent species" . "Fragment of pancreatic polypeptide (PP)" . "Fragment of pancreatic polypeptide (PP)" . "Fragment of pancreatic polypeptide (PP)" . "Synthetic analogue of human pancreatic polypeptide" . "Synthetic fragment of NPY. While the amino acid sequence for endogenous peptide NPY varies between humans and pigs, the sequence for this C-terminal synthetic fragment is common to both species" . "Radiolabelled synthetic analogue of NPY" . "Synthetic analogue of NPY" . "Synthetic analogue of human neuropeptide Y" . "Non-glycosylated synthetic analogue of contulakin-G" . "From Conus geographus (Geography cone)" . "Large neurotensin is a differentially cleaved long peptide derived from pro-neurotensin/neuromedin. This from of the peptide is produced mainly in the adrenals glands ." . "As with many peptides there is some ambiguity surrounding the exact chemical structure and chirality of neuromedin N. We have chosen not to display a chemical structure here, but for representations of the structure, please see the entry on PubChem linked to above and that corresponding to the CAS registry number." . "Note that the sequence for bovine neurotensin is the same as the human and rodent peptides." . "Synthetic analogue of neurotensin" . "Synthetic analogue of neurotensin. N.B. the amino acid sequence of neurotensin is common to the human, mouse and rat peptides" . "In addition to acting at the histamine H1 receptor, levocabastine is also a selective antagonist for the neurotensin receptor NTS2, and has been used to characterise the different receptor subtypes . This ligand is represented on PubChem by CID 54385." . "Nicotinic acid (niacin) is a form of vitamin B3 and it is the precursor for NAD and NADP." . "Acipimox is a nicotinic acid derivative." . "Cleaved from proenkephalin-B" . "One of the two enantiomers comprising the INN-assigned racemic compound bremazocine. Note that ChEMBL represents this compound with different stereochemistry with the entry CHEMBL1797687." . "The INN-assigned compound cyclazocine is a mixture of two epimers and their enantiomers. The reference from which our biological activity data is curated does not specify the exact structure used in their study therefore we have chosen to display the structure corresponding to the PubChem entry for (-)-cyclazocine with the highest number of same structure SID mappings." . "(-)-methadone is a component of the approved drug methadone, and while it has been assigned an INN, it is not itself an approved drug. See our ligand entry for for futher details." . "(-)-pentazocine is one of the two enantiomers in the approved drug pentazocine. (-)-pentazocine is a κ-opioid receptor agonist, while (+)-pentazocine exhibits ten-fold greater affinity for the σ receptor. Pentazocine is a mixed agonist-antagonist opioid pain medication. It is postulated that pentazocine behaves as an agonist at the κ and σ opioid receptors and has weak antagonistic action at the μ receptor." . "This compound is also represented in PubChem without specified stereochemistry by CID 44568." . "MET-enkephalin (MENK) is an endogenous opioid peptide. It exhibits agonist activity at the δ- and μ-opioid receptors. MENK produces immunomodulatory, neuromodulatory, antinociceptive/analgesic, antidepressant, and gastrointestinal motility modulating activities. It has cytostatic activity vs. cancer cells and may help recruit NK cells to kill tumour cells ." . "Synthesised fragment of dynorphin A" . "The amino acid sequence of endomorphin-1 is believed to be common across mammalian species .

An endogenous peptide, the gene encoding the endomorphin precursor has not yet been identified ." . "There is some ambiguity in the literature and on other online resources as to the exact structure and stereochemistry of etorphine. The structure shown here does not specify stereochemistry and corresponds to the PubChem entry linked to above. Activity data in PubChem is distributed across several CIDs representing slight chiral variations in the molecule. Please note that the ChEBI and ChEMBL entries linked to above do specify stereochemistry and represent the structure differently to us." . "Synthetic analogue of dynorphin" . "Fentanyl is a potent, synthetic, addiction-forming narcotic analgesic. Marketed formulations contain the citrate salt (PubChem CID 13810)." . "Morphine is an opiate class compound, isolated from the opium poppy (Papaver somniferum). It is a fast-acting narcotic. Morphine is used to make other opioids such as , and (heroin)." . "Nalmefene is an opioid receptor antagonist." . "This drug does not have marketing approval in the US or European Union. Other national approval agencies may have granted marketing authorisation. In some countries nalorphine may only be used in veterinary practice." . "ChEMBL represents the structure of quadazocine with different stereochemistry with the entry CHEMBL2111022." . "The approved drug naloxone INN-assigned preparation is the (-)-enantiomer. For a summary of the (+)-enantiomer, see the ligand page for . (-)-naloxone is the active enantiomer. The (+) isomer is inactive at the opioid receptors.
Marketed formulations may contain naloxone hydrochloride (PubChem CID 5464092)." . "This is the active isomer of naltrexone. The (+) isomer is inactive at the opioid receptors." . "Cleaved from proenkephalin-B" . "Synthetic analogue of dynorphin 1-13" . "Synthetic analogue of dynorphin-A" . "Nalbuphine is a semi-synthetic opioid drug that acts as a full agonist at the κ opioid receptor and a partial agonist at μ and δ opioid receptors. It is chemically related to the opioid antagonists, and , and the potent opioid analgesic, ." . "The INN-assigned compound tifluadom is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture." . "Alternative isomer of the approved drug , which is the (-)-enantiomer." . "Buprenorphine is a more potent and longer lasting analgesic than ." . "Synthetic analogue of N/OFQ" . "A alternative structure for this ligand is represented by CID 56947114." . "Synthetic analogue of human orexin-B" . "Codeine is an opioid analgesic related to, but less potent than .
Marketed formulations may contain codeine sulfate (PubChem CID 6098421)." . "This compound is also represented on PubChem without specified stereochemistry by the entry CID 2884." . "Synthetic analogue of N/OFQ" . "Synthetic analogue of N/OFQ" . "Activity data in PubChem for this compound is also listed against the alternative structure with CID 10763594." . "Synthetic analogue of N/OFQ" . "Synthetic analogue of N/OFQ" . "Synthetic analogue of N/OFQ" . "JNJ-10397049 is an OX2 receptor selective antagonist (2-SORA)." . "SB‐334867 is a selective OX1R antagonist. Selective OX1R blockade is suggested as a pharmacological mechanism that offers clinical utility for the treatment of addiction or anxiety disorders ." . "The structure of this ligand was drawn from the image in . There is some variation in representations of the structure elsewhere, which include CID 6093163." . "Suramin is an antiparasitic drug. It is also used in research as a broad-spectrum P2 receptor antagonist and as a ryanodine receptor agonist .
Evidence from studies in mice , and from an early phase clinical trial suggest antipurinergic therapy (using suramin or other antipurinergic compounds) as a potential lead in the search for pharmacotherapeutic intervention in children with autism spectrum disorder (see Phase 1/2 clinical trial NCT02508259)." . "The USAN specifies the tetrasodium salt formulation." . "The chemical structure of this compound was drawn from articles describing its discovery ." . "3-phenacyl-UDP is a synthetic uracil nucleotide derivative." . "MRS2578 is an inhibitor of the purinergic P2Y6 receptor." . "Synthetic analogue of human PTHrP" . "Synthetic analogue of human PTHrP" . "Synthetic analogue of human PTHrP" . "Synthetic analogue of human PTHrP" . "Ticagrelor is a selective P2Y12 receptor antagonist ." . "An active metabolite of BX 667." . "This is the active metabolite of prasugrel." . "The structure shown here is of the active metabolite of , a pro-drug which is activated via 2-oxo-clopidogrel (PubChem CID 56848893) by cytochrome P450 enzymes in the liver. This compound is an irreversible antagonist of the platelet P2Y12 receptor . The antagonist effect is stereoselective for the S-enantiomer shown here, whereas the R-enantiomer is almost inactive." . "Synthetic analogue of human PTHrP" . "Synthetic analogue of human PTHrP" . "Synthetic analogue of human PTHrP" . "Synthetic analogue of human PTHrP" . "Synthetic analogue of human PTHrP" . "Cangrelor is an intravenously administered antiplatelet compound." . "There is some ambiguity as to the exact structure of this compound. The structure shown here is the same as that in reference ." . "In its recombinant form, human parathyroid hormone was approved for clinical use in 2015, under the name Natpara." . "Synthetic chimera based on human PTHrP and TIP" . "Synthetic hybrid of human PTHrP and PTH 22-34" . "Synthetic ananlogue of human PTH" . "Synthetic analogue of human PTH" . "Synthetic analogue of human PTH" . "Synthetic analogue of human PTHrP" . "Synthetic analogue of bovine PTH" . "Synthetic analogue of bovine PTH" . "Synthetic analogue of human PTH" . "Synthetic analogue of human PTHrP" . "Synthetic analogue of human PTHrP" . "Synthetic analogue of human PTH" . "Synthetic analogue of human PTH" . "Synthetic analogue of human PTHrP" . "Synthetic fragment of PTHrP" . "Synthetic analogue of bovine PTH" . "Synthetic analogue of bovine PTH" . "Synthetic analogue of human PTHrP" . "Synthetic analogue of human PTHrP" . "PAF is an endogenous platelet-activating factor; PAF receptor agonist. PAF-PAFR signalling plays a role in a wide range of biological processes including vasodilation, superoxide formation, cell proliferation, angiogenesis and regulation of the inflammatory response." . "Synthetic analogue of ginkgolide B" . "Synthetic analogue of ginkgolide B" . "ABT-299 is a prodrug of A-85783. The reference listed specifies that the preparation of ABT-299 with a chloride ion was used, while the ligand is represented on ChEMBL without the chloride by CHEMBL1183764." . "The INN-assigned compound israpafant is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture." . "Apafant (WEB 2086 ) is a selective, water soluble platelet-activating factor (PAF) receptor antagonist. Apafant displays anti-inflammatory, antiangiogenic, and anticancer activity." . "There is some ambiguity in the exact stereochemistry of ginkgolide A therefore representations on other databases may vary slightly from that shown here." . "From the plant Ginkgo biloba. There is some ambiguity on online resources as to the exact stereochemistry of ginkgolide B. Other representations on PubChem include CID 11973122 and CID 6917929." . "From the plant Ginkgo biloba. There is some ambiguity on online resources as to the exact stereochemistry of ginkgolide C. Other representations on PubChem include CID 9867869 and CID 11826309." . "There is some ambiguity online as to the exact structure and stereochemistry of ginkgolide J. Our structure matches that represented in the PubChem entry linked to above, but PubChem also lists activity data for several other entries. ChEMBL represents the compound with the entry CHEMBL374004." . "From the intestine of the black mamba (Dendroaspis polylepis polylepis)" . "Prokineticin-2β is 21 amino acids shorter than the parent peptide. This shorter variant is believed to arise as the result of post-translational protein cleavage events. Prokineticin-2β has been identified in human, rat and mouse ." . "Synthetic fragment of human PrRP" . "PGE1 is an endogenous prostaglandin. Synthetic PGE1 is known as alprostadil. PGE1 activates prostanoid family GPCRs." . "PGE2 is a the major endogenous prostaglandin. Synthetic PGE2 is known as dinoprostone. PGE2 activates prostanoid family GPCRs." . "PGF2α is a naturally-occurring prostanoid which functions as a potent vasoconstrictor. The synthetically produced drug, dinoprost, is chemically identical to the endogenous prostaglandin ." . "U46619 is a potent, and stable thromboxane A2 (TP) receptor agonist. Structurally it is a stable synthetic analog of PGH2." . "The free acid form of butaprost shown here is often used experimentally. However, the INN-assigned structure of does not have the free acid group." . "The INN-assigned compound of cloprostenol is a racemic mixture of two enantiomers. The structure shown here represents one of these enantiomers." . "Iloprost is a synthetic analogue of PGI2." . "AH6809 is an EP1 and EP2 prostanoid receptor antagonist." . "The ChEMBL links above show alternative stereoisomers of this compound." . "There is some ambiguity in the literature and in other databases as to the exact stereochemistry of this compound. Our structure matches that of the PubChem entry with the highest number of same-structure matches (linked to above), but activity data is spread over several entries. ChEMBL does not include an exact match for our structure, but includes stereoisomers CHEMBL180344, CHEMBL355602 and CHEMBL2096774." . "TM30089 (CAY 10471) is a selective, insurmountable DP2 receptor antagonist that reduces orthosteric ligand (PGD2) binding capacity (Bmax) without affecting PGD2 affinity . It is a analogue. We represent the structure without specified stereochemistry." . "Indomethacin is a non-selective cyclooxygenase (COX) inhibitor belonging to the nonsteroidal anti-inflammatory drug (NSAID) family." . "17-phenyl-ω-trinor-PGE2 can activate EP1, EP3 and EP4 prostanoid receptors ." . "PGI2 is an endogenous prostaglandin. Synthetic PGI2 is known as epoprostenol. PG12 activates prostanoid family GPCRs." . "Cicaprost is an orally active, synthetic prostacyclin (PGI2) analogue. It produces anti-platelet and vasodilatory effects in vivo ." . "The INN-assigned compound enprostil is a racemic mixture of two enantiomers, the structure of one of which is shown here and is also represented in the PubChem link above. We have chosen to link to the PubChem entry with the highest number of same-structure matches. The other enantiomer is represented by CID 6435207." . "SC-51089 is a selective EP1 receptor antagonist." . "Active metabolite of the approved drug ." . "The INN-assigned approved drug misoprostol is a racemic mixture of two epimers and their enantiomers. For more information, please see the ChEBI link above. Note that the INN-assigned structure represents the methyl ester form of the compound as which the drug is administered. The drug is then converted in vivo to the active metabolite ." . "The INN-assigned compound fluprostenol is a racemic mixture of two enantiomers. The structure shown here shows the stereochemistry of the more active of these enantiomers, and the PubChem and ChEMBL entries linked to in the table above also represent this enantiomer. For an alternative stereoisomers see CID 6436637." . "L-798,106 is a potent and highly selective EP3 receptor antagonist. and L-798,106 are similar, except has a Cl-group and L-798,106 does not." . "ONO-AE3-208 is a high affinity, selective EP4 receptor antagonist." . "EP4A is a selective EP4 receptor antagonist." . "GW 627368 is a selective EP4 receptor competitive antagonist." . "Bimatoprost is a prostaglandin analogue which binds to the prostanoid FP receptor. It has been demonstrated that bimatoprost is also a prodrug that is metabolised in vivo to its free acid form ." . "Formed from the in vivo metabolism of the prodrug ." . "The active free acid form of latanoprost results from metabolism of the prodrug ." . "Latanoprost is administered in the isopropyl ester form shown here, which is then hydrolysed in vivo in to active metabolite lanoprost free acid." . "The structure of beraprost as specified by the INN-registered compound is a racemic mixture of two epimers and their enantiomers. The structure shown here does not specfify stereochemistry and represents the mixture." . "The chirality of vapiprost as specified by the INN document is (Z)-(1R,2R,3S,5S)- and it is this structure that is shown here, and matches that specified by the PubChem link above. Vapiprost is also represented as with the chirality shown by CID 6436588." . "There is some ambiguity in the exact stereochemistry of ifetroban. The structure shown here is the same as that represented by the PubChem entry above. CID 64924 shows an alternative representation which does not specify the exact stereochemistry of the structure." . "Radiolabelled form of recombinant human H2 relaxin. H2 relaxin consists of 2 subunits, an A chain and a B chain. The entry provides subunit peptide sequence information. The literature does not specify which of the subunits is labelled with 33P" . "Fully active INSL3 is a heterodimer of the B chain and the A chain linked by two disulfide bonds, the first between B chain (residue 34) and A chain (residue 116), and the second between B chain (residue 46) and A chain (residue 129). For details of the structure of this ligand see the ligand pages for the non-radiolabelled form and its subunits. [125I]INSL3 is synthesised by adding radiolabelled iodine to the A-chain subunit, either to tyrosine at position 9 or 26" . "Synthetic peptide consisting of human and human . For the amino acid sequences of the subunits, please see their individual ligand entries." . "Radiolabelled analogue of human relaxin-3. This ligand consists of two subunits, an A chain and a B chain. The entry provides subunit sequence information. The radiolabelled analogue is created by labelling the tyrosine residue at position 5 of the B chain with 125I." . "Fully active INSL5 is a heterodimer of the B chain and the A chain linked by two disulfide bonds, the first between B chain (residue 29) and A chain (residue 122), and the second between B chain (residue 41) and A chain (residue 135). For structural information for the radioactive ligand please see the ligand pages for the non-radiolabelled form and its subunits" . "Synthetic analogue of somatostatin" . "Synthetic analogue of somatostatin-14" . "Synthetic analogue of somatostatin-14" . "Synthetic analogue of somatostatin-14" . "Synthetic analogue of somatostatin-14" . "Cyclic peptide analog of somatostatin. This compound is represented on ChEMBL with slightly different stereochemistry by CHEMBL3039583." . "As with many peptide molecules there is some ambiguity in the literature as to the exact stereochemistry of SRIF-28. The structure shown here matches that shown in the PubChem entry linked to above, but the compound is also represented by CHEMBL442494 and CID 44388117." . "Synthetic analogue of somatostatin-14" . "DOTA is 1,4,7,10-tetraazacyclododecane- 1,4,7,10-tetraacetic acid." . "Lanreotide is a synthetic analogue of somatostatin. The compound is represented by a PubChem entry (linked to above) without specified stereochemistry, while ChEMBL represents lantreotide with the entry CHEMBL1201185." . "Cyclic peptide" . "Cyclic peptide" . "Synthetic radiolabelled peptide. The amino acid sequence of octreotide (FCFWKTCT) is modified by replacing the phenylalanine residue at position 3 with 3-naphthylalanine. The peptide is conjugated with DOTA (1,4,7,10-tetraazacyclododecane- 1,4,7,10-tetraacetic acid) and radiolabelled with indium (111I). The structure of the unlabelled form of this peptide is shown in the reference." . "A cyclic peptide. There is some ambiguity surrounding the chirality of L-363,377. The PubChem and ChEMBL entries linked to above each represent a chemical structure for this peptide." . "A cyclic peptide" . "Synthetic radiolabelled peptide. The amino acid sequence of octreotide (SMS 201,995) is modified by replacing the phenylalanine residue at position 3 and C-terminal threoninol with benzoyl-3-thienylalanine and threonine respectively. The peptide is conjugated with DOTA (1,4,7,10-tetraazacyclododecane- 1,4,7,10-tetraacetic acid) and radiolabelled with indium (111I). The structure of the non-radiolabelled version of this ligand is shown in the reference." . "Vapreotide is a synthetic cyclic octapeptide analogue of somatostatin (like ). It acts as predominantly as a somatostatin receptor SSTR-2/SSTR-5 agonist." . "Octreotide is a somatostatin mimetic.
As with many peptide molecules there is ambiguity around representations of the stereochemistry of octreotide. The chemical structure shown here does not specifiy stereochemistry and so may differ from representations on other chemical information resources in the Database Links table." . "Synthetic peptide lanreotide (BIM 23014) conjugated with DOTA and labelled with yttrium (90Y) on tyrosine residue 3 and indium (111In). The exact structure of this ligand is not specified in the reference. For the structures of and see the individual ligand pages." . "Synthetic peptide octreotide (SMS 201,995), modified at position 3 of the amino acid sequence, conjugated with DOTA and labelled with yttrium (90Y) and indium (111I). The exact structure of this ligand is not specified in the reference. For the structures of DOTA and octreotide see the individual ligand pages. 'NOC' is formed by the substitution of phenyalanine residue 3 in octreotide with 3-naphthylalanine (Nal)." . "Synthetic peptide octreotide (SMS 201,995) conjugated with DOTA and labelled with yttrium (90Y) and indium (111In). The exact structure of this ligand is not specified in the reference. For the structures of and octreotide see the individual ligand pages." . "Synthetic peptide octreotide (SMS 201,995), modified at position 3 of the amino acid sequence, conjugated with DOTA and labelled with yttrium (90Y) and indium (111In). The exact structure of this ligand is not specified in the reference. For the structures of DOTA and octreotide see the individual ligand pages. 'TOC' is formed by the substitution of phenyalanine residue 3 in octreotide with tyrosine (Tyr)." . "A cyclic peptide" . "Radiolabelled synthetic analogue of somatostatin-14" . "Synthetic SRIF analogue" . "Synthetic analogue of SRIF" . "Synthetic analogue of SRIF" . "Derived from the skin of the Senegalese running frog (Kassina senegalensis)" . "Sequence from ." . "Expressed by the skin glands of the two-coloured leaf frog (Phyllomedusa bicolor)" . "From the skin of Physalaemus fuscomaculatus (Neotropical frog)" . "Synthetic analogue of substance P" . "Synthetic fragment of substance p" . "Synthetic fragment of substance p" . "Synthetic analogue of substance P" . "Saredutant is a tachykinin NK2 receptor antagonist that was developed by Sanofi-Aventis for anti-depressant potential ." . "Synthetic analogue of neurokinin B" . "There is some ambiguity in the literature as to the exact structure of this ligand. Activity data in PubChem is also listed against CID 190946." . "Synthetic analogue of neurokinin B" . "Talnetant (SB-223412) is an orally active, selective neurokinin-3 (NK3) receptor antagonist that was developed as a potential anti-schizophrenia drug .
There is some ambiguity in the stereochemical representation of talnetant as shown on other databases. The structure shown above is the same as the INN-assigned structure and shows the (S)-isomer of the compound." . "This structure matches the structure deposited with the INN record for protirelin, which is synthetic TRH." . "3-Iodothyronamine is an endogenous thyronamine and derivative of thyroid hormone. It acts as a high-affinity ligand for the trace amine-associated receptor TAAR1 ." . "Dextroamphetamine was first approved by the FDA in 1955 as dextroamphetamine resin complex in combination with amphetamine complex." . "Please note that the two PDB links in the table above represent (R)-octopamine and (S)-octopamine respectively. All other database entries linked to above do not specify stereochemistry." . "Synthetic fragment of human U-II" . "Synthetic analogue of urotensin II (U-II)" . "Synthetic analogue of human urotensin II" . "Synthetic analogue of AVP. Note that the ChEMBL links record alternative stereoisomers of this compound." . "This synthetic peptide is an analogue of the conserved cyclic hexapeptide portion of (amino acids 5-10 of the endogenous peptide). A histidine replaces the valine in the carboxy terminal position 11 of the natural ligand." . "Synthetic analogue of human U-II" . "The approved drug is administered as an injection, as indicated by the INN.

As with all large peptide molecules, there is some ambiguity in representations of the stereochemistry of vasopressin, therefore the chemical structure shown here may differ slightly from that shown on other resouces linked to from the table above." . "This is a non-mammalian orthologue of vasopressin (AVP)." . "Synthetic analogue of AVP" . "Endogenous oxytocin is a hormone and neuropeptide, which plays a role in social bonding, sexual reproduction and is required during and after childbirth. Purified oxytocin is used clinically." . "Synthetic analogue of oxytocin" . "Synthetic analogue of oxytocin. N.B the amino acid sequence of oxytocin is common across human, mouse and rat" . "Synthetic analogue of AVP" . "Synthetic analogue of AVP. As is the case with many peptide molecules, there is ambiguity in the stereochemistry of the chemical structure of desmopressin. The structure shown here does not specify stereochemistry and so may vary from the representations shown on other resources linked to from the table above. PubChem also includes the following structures for desmopressin: (CID 16051933 and CID 5311065)." . "Synthetic analogue of AVP" . "Synthetic analogue of AVP" . "Synthetic analogue of AVP" . "Synthetic analogue of AVP" . "Synthetic analogue of lysine vasopressin" . "Synthetic analogue of AVP" . "Synthetic analogue of AVP" . "Synthetic analogue of lysine vasopressin" . "Tolvaptan is a selective, competitive vasopressin receptor 2 (V2) antagonist." . "Radiolabelled synthetic analogue of AVP" . "This compound was being tested in clinical trials for the prevention of ascites, but in 2008 the pharmaceutical company withdrew its application for marketing authorisation from the European Medicines Agency (EMA). There is some ambiguity in the literature and on other databases as to the exact stereochemistry of Satavaptan. The structure shown here matches the INN document, while the compound is represented on ChEMBL by CHEMBL2107777 and on PubChem by CID 158348." . "Conivaptan is a non-peptide vasopressin receptor antagonist. It antagonises the V1A and V2 receptors but does not inhibit V1B receptor activity." . "Synthetic analogue of AVP" . "Synthetic analogue of AVP" . "Synthetic analogue of AVP" . "Synthetic analogue of AVP" . "Synthetic analogue of AVP" . "A synthetic analogue of oxytocin. There is some ambiguity over the exact stereochemistry of atosiban. Another representation is CID 68613." . "Synthetic analogue of AVP" . "Synthetic analogue of AVP" . "Synthetic analogue of AVP" . "Synthetic analogue of AVP" . "Radiolabelled synthetic analogue of vasotocin" . "Synthetic analogue of vasotocin" . "Radiolabelled synthetic analogue of vasotocin" . "Synthetic analogue of vasotocin" . "Synthetic analogue of vasotocin" . "Synthetic analogue of AVP" . "Synthetic analogue of AVP" . "Radiolabelled synthetic analogue of AVP" . "Radiolabelled synthetic analogue of AVP" . "Radiolabelled synthetic analogue of AVP" . "Radiolabeled synthetic analogue of AVP" . "Synthetic analogue of AVP" . "Synthetic analogue of AVP" . "A cyclic peptide" . "The structure of this compound is not specified in the available literature." . "The structure of this compound is not specified in the available literature." . "The structure of this compound is not specified in the available literature." . "The structure of this compound is not specified in the available literature." . "Synthetic analogue of oxytocin" . "Synthetic analogue of oxytocin" . "Synthetic analogue of oxytocin" . "Sequences of human, mouse, rat and sheep PACAP-27 are identical. As is often the case with peptide molecules, representations of the stereochemistry of PACAP-27 may vary across different resources." . "Sequences of human, mouse, rat and sheep PACAP-38 are identical.

PACAP-38 has been proposed as a novel target for the teament of migraine . In response, Alder BioPharmaceuticals have developed an anti-PACAP-38 monoclonal antibody (ALD1910) that has progressed to clinical evaluation (NCT04197349)." . "Synthetic analogue of PACAP-27" . "Isolated from the salivary gland of the sand fly Lutzomyia longipalpis. There are disulphide bonds between Cys1 and Cys5/Cys14 and Cys51." . "The properties of this maxadilan analogue were first described in ." . "The synthesis and characterisation of this peptide was described in " . "Synthetic analogue of VIP. The synthesis and characterisation of this peptide was described in ." . "The porcine sequence has been used in pharmacological studies. Sequences in mouse and rat have isoleucine in place of leucine at position 17. The human sequence (PHM) has C-terminal methionine." . "PHM is the human sequence equivalent to PHI in rodents" . "The rat sequence has been used in pharmacological studies. The human sequence differs at residues 17, 27 and 31. The mouse sequence has C-terminal isoleucine." . "Peptide isolated from the venom gland of the Gila monster (Heloderma suspectum)" . "Azasetron is a serotonin 5-HT3 receptor antagonist." . "Cocaine is a tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca. Topically applied cocaine has local anesthetic effects, causing loss of feeling or numbness. It also causes vasoconstriction.
There is no information on the US Drugs@FDA website regarding marketing approval for formulations of this drug." . "One of the enantiomers in the INN-assigned racemic compound zacopride." . "One of the enantiomers in the INN-assigned racemic compound zacopride." . "The approved drug ondansetron is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture." . "There is some ambiguity surrounding the exact stereochemistry of UCL1848. We have chosen to display the structure without specified stereochemistry, whilst ChEMBL show represent the structure with the entry CHEMBL1185552." . "Tubocurarine is a skeletal muscle relaxant. The structure as specified by the FDA and the INN document shows the compound in complex with chloride (see PubChem CID 9917490). As our data specifies the parent compound, it is this structure we have chosen to display here, and which the majority of entries linked to from the table above display." . "Having been withdrawn by the manufacturer in 2000 following reports of severe adverse effects, the FDA approved a supplemental new drug application (2002) which allows remarketing of the drug, but under conditions of restricted use." . "Diltiazem has vasodilating actions." . "The US FDA granted approval for the use of an injectable formulation of ethanol (alcohol) in dextrose solution, but marketing has been discontinued." . "Chlorzoxazone acts on the central nervous system to cause muscle relaxation and sedation." . "There is some ambiguity in that the FDA label specifies 1-methyl-N-[(1R,3r,5S)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide. The closest to this in PubChem is the 1S, 5R, as shown. However, the majority of the bioactivity data is linked to the enantiomer CID 3510." . "The structure shown here represents the same stereochemistry as the INN document for this compound, and also matches the ChEMBL structure in the link above. Ricasetron is represented on PubChem by CID 71785." . "From the venom of Buthus martensii" . "From the venom of Centruroides noxius (Hoffman scorpion)" . "Expressed by the venom gland of the honeybee (Apis mellifera)" . "While the INN-assigned preparation of dequalinium is in complex with chloride, the compound is also available experimentally as the 'parent' salt form. Two of the references listed here refer to the parent compound, while and refer to dequalinium chloride. We show the structure of the parent compound, and our external links are also to this structure." . "Synthetic analogue of leiurotoxin I" . "From Leiurus quinquestriatus hebraeus (Yellow scorpion)" . "Marketed formulations may contain riluzole hydrochloride (PubChem CID 6419992)." . "Zoxazolamine is a centrally acting myorelaxant." . "From Leiurus quinquestriatus hebraeus (Yellow scorpion)" . "An analogue of the yellow scorpion toxin charybdotoxin" . "Clotrimazole is an anti-fungal agent." . "From Scorpio maurus palmatus (Chactoid scorpion)" . "The approved drug nitrendipine is a racemic mixture of two enantiomers; (R)-nitrendipine and (S)-nitrendipine. The structure shown here does not specify stereochemistry and represents the mixture." . "TRAM-34 is a KCa3.1 channel blocker." . "The drug bepridil is a racemic mixture of two enantiomers for the 2R as CID 16048570 and 2S as CID 445143. The structure shown here represents the mixture." . "Bithionol is an antibacterial, anthelmintic, and algaecide. Reported to inhibit N-Acyl-phosphatidylethanolamine phospholipase D (NAPE-PLD) activity ." . "Quinidine is a stereoisomer of . It acts as a class I antiarrhythmic agent, blocking the fast inward sodium current (INa).

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Consists of endogenous peptide calmodulin in complex with up to 4 calcium ions. The name 'calmodulin' is an abbreviation of 'calcium-modulated protein'." . "There is some ambiguity in the literature and on online resources as to the exact structure and stereochemistry of this compound. Other representations include CID 24755492, and CID 53477782." . "From Pseudechis australis (Mulga snake)" . "There is some ambiguity in the literature and in other databases as to the exact stereochemistry of Cilobradine. This compound is also represented in the alternative isomer by CID 132989 and CHEMBL2105984." . "Marketed drugs contain ivabradine hydrochloride (PubChem CID 3045381)." . "Anandamide is an endogenous cannabinoid neurotransmitter found in animal and human organs, especially in the brain. It activates the cannabinoid receptors CB1 and CB2. Anandamide is also known to be an endogenous activator of the TRPV1 cation channel , which is involved in regulation of body temperature and nociception." . "Allyl isothiocyanate is a spicy component of wasabi. It acts as a transient receptor potential (TRP) cation channel activator." . "Colchicine is a microtubule inhibitor. It is a methoxylated analogue of (colchicein).

SARS-CoV-2 and COVID-19: There are a number of clinical trials looking at the efficacy of colchicine as a therapy to help treat, and/or prevent the development of, severe symptoms in COVID-19 patients . It has been included in an arm of the UK's RECOVERY trial. Click here to see al clochicine studies on ClinicalTrials.gov . Colchicine is predicted to target inflammation and systemic clotting abnormalities that accompany COVID-19 . This repositioning of colchicine is based both on the drug's established anti-inflammatory action, on its ability to inhibit NLRP3 inflammasome activation, and on experimental evidence that colchicine-induced neutrophil depletion inhibits the release of the endogenous antimicrobial peptide α-defensin-1 (DEFα-1; DEFA1) and reduces thrombus formation in experimental models . Background: contact factors (such as kallikrein and FXIIa) connect inflammation to the activation of coagulation, via promoting the production of DEFα-1 by activated neutrophils. DEFα-1 has pro-thrombotic activity, acting to both stabilise fibrin and thrombus formation and impeding clot resolution by reducing fibrinolysis .
In early 2021, preliminary data from the Phase 3 ColCORONA study (NCT04322682) provided some evidence that colchicine reduced hospitalisation (by 25%), progression to mechanical ventilation (by 50%) or death (by 44%) in >4100 confirmed COVID-19 patients, compared to placebo. The drug was given in an outpatient setting. A medRxiv preprint providing more details from the ColCORONA study was posted on 27th January 2021 (DOI: 10.1101/2021.01.26.21250494v1) prior to the peer review process being completed. In contrast a preprint of results from the colchicine arm of the RECOVERY trial (11340 hospitalised COVID-19 patients) reported no clinical benefit compared to standard care by any of the primary or secondary outcome measures (Horby et al., 2021; medRxiv https://doi.org/10.1101/2021.05.18.21257267)." . "This compound is also used in complex with sodium (CID 23665403)." . "Dehydroepiandrosterone (DHEA; prasterone) is a precursor that is converted to oestrogens and androgens." . "Ivermectin is a broad-spectrum anti-parasitic drug. The approved drug is a mixture of mainly avermectin H2B1a (CAS # 71827-03-7) with some avermectin H2B1b (CAS # 70209-81-3). The avermectins are bacterial marcrolides isolated from Streptomyces avermitilis.

SARS-CoV-2 and COVID-19: There is speculation that ivermectin could be used to treat COVID-19, which is principally founded on in vitro evidence of anti-viral activity, and limited evidence of anti-inflammatory action. The evidence that ivermectin is appropriate to prevent or treat coronavirus infection is not compelling. To date (Jan 2021) there is no persuasive efficacy data available from an adequately sized, appropriately designed and controlled randomised clinical trial." . "This compound is represented on ChEMBL by the entry CHEMBL148296 which shows the double bonds in different positions." . "Note that the ChEMBL entry linked to above represents the compound with charges on the sulphur and oxygen atoms." . "Pregnenolone is an endogenous steroid hormone and is the precursor of the progestogens, mineralocorticoids, glucocorticoids, androgens, estrogens and neuroactive steroids." . "Progesterone is an endogenous steroid and progestogen sex hormone. It is the major progestogen and is required for the production of other endogenous steroids, including the sex hormones and corticosteroids." . "Radiolabelled deriviative of tertiapin" . "From the venom gland of Apis mellifera (honeybee)" . "Tenidap is a dual COX/5-LOX inhibitor . It was a clinical candidate with anti-inflammatory/anti-rheumatic potential, but development was terminated due to liver and kidney toxicity .
The INN record for tenidap provides the IUPAC name (Z)-5-chloro-3-(α-hydroxy-2-thenylidene)-2-oxo-1-indolinecarboxamide. The SMILES obtained by coverting this IUPAC using OPSIN match PubChem CID 60712, however this CID does not include the Z configuration that was specified in the INN's IUPAC name." . "Diazoxide is a potassium channel activator." . "The isomer is also an approved drug but has a longer duration of action and produces less vasodilation." . "Clomipramine is a tricyclic antidepressant." . "Desipramine is one of the tricyclic antidepressants." . "Halothane is a volatile anaesthetic which causes rapid anaesthesia, but requires use of additional nitrous oxide and/or neuromuscular blocking agents to be fully effective." . "One of the enantiomers in INN-assigned compound racementhol." . "Maprotiline is a tetracyclic antidepressants (TeCA)." . "Nortriptyline is a second-generation tricyclic antidepressant (TCA)." . "The approved drug verapamil is a racemic mixture of two enantiomers (PubChem CID 92305 and PubChem CID 65808). The structure shown here does not specify stereochemistry and represents the mixture. Marketed formulations may contain verapamil hydrochloride (PubChem CID 62969)." . "Fingolimod was the first approved oral therapy for multiple sclerosis.
Fingolimod FTY720) is the prodrug of a S1P receptor agonist . When fingolimod binds to S1P1R the complex is internalised and then degraded, so the drug acts as an indirect functional antagonist by preventing intracellular signalling. It acts as a lymphocyte migration inhibitor, promoting lymphocyte retention in lymphoid tissues, whilst preserving lymphocyte function . Clinical efficacy results from modulation of S1P1 receptors. Adverse effects are thought to be caused by fingolimod's off-target effects on other S1P receptor subtypes.
Selective S1P1R agonists are being developed and investigated for immunomodulatory/immunosuppresant potential." . "Nicorandil is an antianginal medication that acts as an adenosine triphosphate (ATP)-sensitive K+ (K(ATP)) channel opener and a nitrate ." . "Pinacidil is a cyanoguanidine anti-hypertensive drug, which acts as an ATP-sensitive potassium channel opener in smooth muscle cells." . "The INN-assigned compound cromakalim is a mixture of enantiomers (Click here to view the related PubChem records). The structure shown here does not specify stereochemistry and represents the mixture." . "A sulfonylurea family drug inhibiting sulfonylurea receptor 1 (ABCC8)/Kir6.2 (KCNJ11). Glibenclamide induced blockade of SUR1-TRPM4 channels reduces inflammatory markers and improves clinical symptoms in mouse experimental autoimmune encephalomyelitis (EAE), and may be of relevance in multiple sclerosis as SUR1-TRPM4-expressing lesions from MS provide a potentially disease modiifying target ." . "Fampridine is the INN for this compound, whereas its USAN is dalfampridine." . "Amiloride is a loop diuretic drug." . "Δ9-tetrahydrocannabinol is the principle active ingredient derived from the cannabis plant (Cannabis sativa). Dronabinol is the INN for the pure, synthetically produced (-)-trans-Δ9-tetrahydrocannabinol isomer of tetrahydrocannabinol (shown here)." . "The approved drug gentamicin is a complex of three closely-related aminoglycoside sulfates: C1, C1a and C2. The structure shown here is representative of the general structure of the compounds. For more information on the structure of the individual components of gentamicin, please see the relevant entries on ChEBI: (CHEBI:27412, CHEBI:27784, CHEBI:28292)." . "Natural menthol principally occurs as the (-)-enantiomer, also known as levomenthol. This (-)-enantiomer is also one of the components of the INN-assigned racementhol." . "BTP2 (YM-58483) is a small molecule store-operated Ca2+ release-activated Ca2+ (CRAC) channel inhibitor ." . "Niflumic acid is used clinically as an anti-inflammatory agent due to its action as a cyclooxygenase-2 (COX-2) inhibitor." . "Econazole topical is an antifungal agent. The preparation of econazole specified by the INN document is a racemic mixture of an (R)- and an (S)- isomer. The structure shown here does not specify stereochemistry and represents the mixture.
Marketed formulations may contain econazole nitrate (PubChem CID 68589)." . "A non-selective cyclooxygenase inhibitor; NSAID." . "At high concentrations H2O2 is toxic and damages cells, but at low levels it modulates some important physiological processes, including signaling in cell proliferation, apoptosis, carbohydrate metabolism, and platelet activation. Catalase is the main H2O2-degrading enzyme in mammalian cells." . "The approved drug miconazole is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture." . "The INN-assigned compound safingol has the same structure but different stereochemistry to sphinganine. For details of the structure of safingol, please see CID 3058739." . "N,N-Dimethylsphingosine is a natural metabolite. It can be produced synthetically." . "Although capsaicin was approved by the US FDA in 2009, this compound was previously marketed so was not subject to a New Drug Application." . "Leukotriene LTD4 is a BLT1/BLT2 receptor agonist. It induces contraction of smooth muscle, resulting in bronchoconstriction and vasoconstriction. and functions as a potent chemotactic factor." . "Resiniferatoxin, an extract from resin spurge (Euphorbia resinifera), is a TRPV1 agonist.
There is some ambiguity online and in the literature as to the exact stereochemistry of resiniferatoxin. The representation shown here matches that in the PubChem and ChEMBL links above, while several tautomers and stereoisomers are also listed on PubChem, and ChEBI represents the compound with the entry CHEBI:8809." . "The mouse sequence differs from the rat sequence at residue number 69 (serine in rat, alanine in mouse)" . "Originally isolated from the freshwater coelenterate hydra (Hydra attenuata). Although the isolation of a peptide of identical amino acid sequence from human hypothalamus, bovine hypothalamus and rat intestine has been reported, its existence in mammals must be considered unproven because there is no evidence for the presence of a precursor gene for this peptide in any sequenced genome." . "Endogenous angiotensin II is a vasopressor." . "Isoflurane is an inhalation anaesthetic." . "The structure shown here is a representative example of the lysophosphatidylcholine class of compounds. The R group terminal linked to the ester (shown here as a methyl group) is a fatty acid chain of varying length. For examples of lysophospatidylcholine compounds with specified chain lengths see oleoyl-lysophosphatidylcholine and 1-palmitoyl-lysophosphatidylcholine." . "Nitric oxide is a free radical and an important cellular signaling molecule involved in many physiological and pathological processes. The drugs and amyl nitrite are nitric oxide precursors." . "This compound is represented on ChEMBL and ChEBI with specified stereochemistry by the entries CHEMBL281622 and CHEBI:34602." . "First extracted from the bark of the cinchona tree and used as an antimalarial medicine, quinine has also been synthesized in the laboratory .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "One of the enantiomers in the approved racemic drug ." . "One of the dihydropyridine class of drugs." . "One of the enantiomers forming the racemic INN-assigned compound devapamil (PubChem CID 65832). Some of the links in the table above may refer to the racemate." . "One of the two enantiomers found in the INN-assigned racemic compound efonidipine." . "From Parabuthus transvaalicus (South African fattail scorpion)" . "Marketed formulations contained mibefradil dihydrochloride (PubChem CID 60662)." . "Nimodipine is a dihydropyridine calcium channel blocker." . "Nisoldipine is a dihydropyridine calcium channel blocker." . "From Kukulcania hibernalis (Southern house spider)" . "From the venom of Agelenopsis aperta (North American funnel-web spider)" . "From the venom of Agelenopsis aperta (North American funnel-web spider)" . "From the venom of Agelenopsis aperta (North American funnel-web spider)" . "From Conus catus (Cat cone)" . "From Conus catus (Cat cone)" . "From Conus catus (Cat cone)" . "From Conus catus (Cat cone)" . "From Conus geographus (Geography cone). Cleaved into ω-conotoxins GVIB and GVIC." . "Note: the INN document for this compound represents complex stereochemistry which is not represented here, or in the PubChem entry linked to above." . "ω-conotoxin was identified and extracted from the venom of Conus magus (Magus cone or Magician's cone snail). A synthetic form of the peptide is now an approved drug, ziconotide. Ziconotide is represented on ChEMBL by the entry CHEMBL2103752." . "From Conus magus (Magus cone or Magician's cone snail)" . "From Conus magus (Magus cone or Magician's cone snail)" . "ω-Grammotoxin SIA (GrTx) is a 36 amino acid residue protein toxin from the venom of the spider Grammostola rosea (Chilean rose tarantula) ." . "From Phoneutria nigriventer (Brazilian armed spider or Ctenus nigriventer)" . "From Phoneutria nigriventer (Brazilian armed spider or Ctenus nigriventer)" . "From Phoneutria nigriventer (Brazilian armed spider)" . "From Centruroides limbatus (Bark scorpion)" . "From Mesobuthus martensii (Manchurian scorpion)" . "From Centruroides margaritatus (Scorpion)" . "From the venom of Apis mellifera (European honeybee)" . "From Stoichactis helianthus (Carribean sea anemone)" . "From the venom of Orthochirus scrobiculosus (Central Asian scorpion)" . "From Bunodosoma granulifera (Sea anemone)" . "From Centruroides noxius (Mexican scorpion)" . "From Pandinus imperator (Emperor scorpion)" . "A synthetic analogue of the toxin OSK1 from the Central asian scorpion (Orthochirus scrobiculosus)" . "One of the dihydropyridine class of drugs." . "Flecainide is a class Ic antiarrhythmic agent." . "Marketed formulations may contain propafenone hydrochloride (PubChem CID 36708)." . "Radiolabelled analogue of BgK" . "Amiodarone is a class III antiarrhythmic drug and acts as a positive inotropic agent. The prescription drug contains amiodarone hydrochloride (PubChem CID 441325)." . "The approved drug ketoconazole is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture. The non-isomeric structure is also represented in the PubChem and ChEBI entries in the Database Links table, while the two enantiomers forming the racemate are represented by CID 456201 and CID 47576. The ChEMBL entry represents the 2S,4R enantiomer." . "From Chilobrachys jingzhao (Chinese earth tiger tarantula)" . "From Chilobrachys jingzhao (Chinese earth tiger tarantula)" . "From Stromatopelma calceatum (Featherleg baboon tarantula)" . "From Anemonia sulcata (Mediterranean snakelocks sea anemone)" . "Thiopential is a barbiturate general anesthetic." . "From Heteroscodra maculata (Togo starburst tarantula or Togo starburst baboon spider)" . "From Heteropoda venatoria (Brown huntsman spider)" . "From Paraphysa scrofa (Chilean copper tarantula)" . "From Paraphysa scrofa (Chilean copper tarantula)" . "A C-terminally truncated synthetic analogue of the Manchurian scorpion (Mesobuthus martensii) toxin BmTX3 (see UniProt: Q8I0L5)." . "Nicotine is a natural alkaloid of the tobacco plant. It is an addictive stimulant, which is an agonist of most nicotinic acetylcholine receptors (nAChRs) (it is an antagonist of the nAChRα9 and nAChRα10 receptor subtypes)." . "Use of sibutramine is reported to increase risk of heart attack and stroke in patients with a history of heart disease. For this reason sibutramine has been withdrawn from use in some countries." . "(3R,4S)-293B acts as an antagonist of the KCNQ1 potassium channel (Kv7.1). The stereo-specific effects of the (3R,4S)-293B and enantiomers has been reported by Seebohm et al. (2001) . Note that some biological activity data may have been generated using the racemic mixture (chromanol 239B) represented by the 'flat' structure with PubChem CID 656731. Additional partially specified stereo-isomers include CID 44275282 and CID 44275281." . "Mefenamic acid is an anthranilic acid derivative (or fenamate) class NSAID drug." . "Retigabine is unique among antiepileptic drugs in that it functions by activating selected voltage-gated potassium channels in the brain (i.e. Kv7 family channels) ." . "Astemizole was originally identified as a histamine H1 receptor antagonist. Astemizole use as an antihistamine was withdrawn from the US market in 1999 as it caused arrhythmias, probably due to blocking the hERG potassium channel (Kv11.1) .

A 2014 publication showed that astemizole's anti-proliferative effects in cancer cells is due to disruption of a protein-protein interaction required for the formation of the active polycomb repressive complex 2 (PRC2) . PRC2 contains the histone methyltransferase EZH2, which is responsible for catalytic trimethylation of lysine 27 on histone H3 (H3K27me3), an epigenetic modification that is a hallmark of silent chromatin. Aberrant PRC2 activity is associated with cancer initiation and progression. Astemizole was shown to inhibit the interaction between EZH2 and a PRC2 structural protein called embryonic ectoderm development (EED) , and that this action destabilizes PRC2 and reduces its methylation activity." . "Dofetilide blocks potassium voltage-gated channels (HERGs)." . "Due to adverse effects on cardiac function, terfenadine has largely been superseded by its carboxylic acid metabolite . Terfenadine was completely withdrawn in the US in 1998." . "From Anthopleura elegantissima (Sea anemone)" . "From Mesobuthus eupeus (Lesser Asian scorpion)" . "Rottlerin is a naturally occurring compound that was isolated from Mallotus philippinensis. Rottlerin has been reported as an ATP-competitive inhibitor of protein kinases with some selectivity for the protein kinase C family isoenzymes . It can be used to differentiate between PKC isoenzymes, having around 10-fold selectivity for PKCδ over PKC α/β/γ and ~30-fold compared to PKC ε/η/ζ" . "From the venom of Centruroides noxius (Mexican scorpion)" . "Sea anemone toxin from Anthopleura fuscoviridis." . "From Anemonia sulcata (Mediterranean snakelocks sea anemone)" . "Sea anemone toxin III from Bunodosoma caissarum." . "Tetrodotoxin is a potent neurotoxin found in certain fish and other aquatic animals, although it is actually produced in symbiotic bacteria hosted in these creatures.
There is some ambiguity in the literature and on other databases as to the exact stereochemistry of tetrodotoxin. Our structure matches that on ChEBI and the PubChem entry linked to above, while the compound is also represented by the alternative isomer in CHEMBL507974 and CID 11174599." . "This compound is also represented on ChEMBL by the entry CHEMBL2103747 which has slightly diffferent stereochemistry than the structure shown here." . "Toxin from Leiurus quinquestriatus hebraeus (Yellow scorpion)." . "From Centruroides suffusus suffusus (Mexican scorpion)" . "Lamotrigine is an anticonvulsant drug." . "Lidocaine was the first-in-class amino amide-type local anesthetic to be discovered." . "Phenytoin is an anti-seizure drug." . "From Tityus serrulatus (Brazilian scorpion)" . "Approved drug mexiletine is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture.
Marketed formulations may contain mexiletine hydrochloride (PubChem CID 21467)." . "From Conus geographus (Geography cone)" . "From Conus purpurascens (Purple cone)" . "From Centruroides noxius (Mexican scorpion)" . "Thyroid hormone receptor agonist" . "Fenofibric acid is the active metabolite of the approved drug ." . "Thyroid hormone receptor agonist" . "Tiratricol is a thyroid hormone analogue." . "Pan-RAR inverse agonist." . "Tretinoin is a naturally occurring derivative of vitamin A (retinoic acid) and as such is an agonist at the retinoic acid receptors. Tretinoin binds to α, β, and γ isoforms of the retinoic acid receptor. Retionoids are important regulators of cell reproduction, proliferation, and differentiation." . "Alitretinoin is an important regulator of gene expression during normal growth and development, as well as in neoplasms. Alitretinoin is a retinoid receptor agonist." . "TTNPB is a retinoic acid analogue. Like retinoic acid it is a selective RAR agonist. Synthetic polyaromatic retinoid compounds like TTNPB are known collectively as arotinoids." . "Ro 40-6055 (Am580) is a retinoic acid analogue that acts as a selective retinoic acid receptor α (RARα) agonist ." . "This compound is a retinoic acid receptor α (RARα) agonist ." . "MK-886 is an orally active inhibitor of 5-lipoxygenase-activating protein (FLAP) that inhibits leukotriene biosynthesis. The compound is also a PPARα antagonist." . "The marketing of many formulations of clifobrate has been discontinued" . "Bezafibrate is a fibrate class anti-hyperlipidaemia drug." . "NS-220 is represented on PubChem without specified stereochemistry by the entry CID 9947731." . "Palmoxiric acid is an orally active inhibitor of long-chain fatty acid oxidation with hypoglycemic activity. The major activity of this compound is as a carnitine palmitoyl transferase (CPT) inhibitor. The majority of the biological activity resides with the R enantiomer, which is converted to its CoA ester in vivo .
The INN-assigned compound palmoxiric acid is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture." . "Troglitazone is an antidiabetic and anti-inflammatory drug." . "Pioglitazone is a thiazolidinedione class antihyperglycemic drug." . "Mesalazine is an aminosalicylate anti-inflammatory drug." . "Ibuprofen is a nonsteroidal anti-inflammatory drug (NSAID).

The approved drug is a racemic mixture of the (R)- and (S)-stereoisomers. The (S)-enantiomer is more active, and the (R)-enantiomer is converted in the body to the (S)-enantiomer. We show the non-isomeric molecule to represent the mixture." . "Diclofenac is a nonsteroidal anti-inflammatory drug (NSAID)" . "Bardoxolone was a Phase 3 NF-κB signaling inhibitor . Although the recommended INN for this compound is bardoxolone, it is administered as bardoxolone methyl which has ChEMBL ID CHEMBL1762621. Bardoxolone can be described as a KEAP1 antagonist, as it antigonises KEAP1 interaction with the Nrf2 transription factor . As this action releases Nrf2 from the inhibitory effect of the protein-protein interaction, it can also be described as a functional Nrf2 activator." . "Lovastatin is a 3-hydroxy-3-methylglutaryl-CoA reductase (HMG-CoA) inhibitor; a statin drug used for the prevention of cardiovascular diseases.
NB: there may be ambiguity in the chiral specification in the reported literature, compared to the structure represented here." . "Vitamin D3 is one of five forms of vitamin D. It is an inactive steroid molecule with one ring open (secosteroid). Vitamin D3 is converted to bioactive calcitriol by successive hydroxylations in the liver and kidney." . "CID 99470 shows another representation of the stereochemistry of 27-hydroxycholesterol which is commonly reported in the literature." . "GW3965 is a synthetic agonist of the liver X receptors (LXRs) α and β." . "T0901317 is a synthetic agonist of the liver X receptors (LXRs), equipotent at the α and β receptor isoforms. T0901317-induced repression of the gluconeogenic enzyme glucose-6-phosphatase is is ROR-dependent and is not associated with the ligand's LXR activity ." . "Meclizine is an antiemetic antihistamine drug." . "There is some ambiguity in the literature and online as to the exact structure of hyperforin. The structure shown here matches that on ChEBI as linked to above. The PubChem entry linked to above represents a different tautomer." . "As with many natural products with complex structures, there is some ambiguity as to the exact structure of rifampicin. Common representations of the structure include CID 5458213, and CID 5381226." . "Dexamethasone is a glucocorticoid receptor agonist with anti-inflammatory action." . "Paclitaxel is a tubulin inhibitor. It was originally identified and isolated from the bark of the Pacific yew, Taxus brevifolia (hence the name 'taxol', and naming of the taxane family of compounds- includes and ). The drug can be administered as a solvent-based drug, or in a formulation called nab-paclitaxel. Nab-paclitaxel consists of paclitaxel bound to albumin nanoparticles as a delivery vehicle (trade name Abraxane)- nab stands for nanoparticle albumin-bound." . "Vitamin K2 (menaquinone) is characterised by a varying number of isoprenoid residues in the side chain. The structure shown here is an example with 2 isoprenoid groups (menaquinone-2)." . "This ligand entry does not specifiy stereochemistry and represents the racemic mixture preparation of S20. This compound has also been used experimentally in a (+)-form (represented in our ligand entry) and a (-)-form (PubChem CID 11610612)." . "The ecteinascidins (Ets) are natural products derived from the marine tunicate Ecteinascidia turbinata. Being a natural substance, there is some ambiguity in the literature as to the exact chemical structure of trabectedin, therefore representations of the compound on the external resource links may vary slightly from that shown here. Trabectedin is now produced synthetically. Mechanistically trabectedin is a DNA minor groove binder and it forms covalent bonds with the exocyclic amino group of certain guanines in the minor groove and interstrand crosslinks via van der Waals interactions and hydrogen bonds ." . "The is some ambiguity in the literature and in other databases as to the exact stereochemistry of seocalcitol. Our structure is the same as the ChEMBL entry linked to above, and matches the PubChem entry with the highest number of same-stucture matches. Other representations in PubChem are CID 6435810, CID 20055510 and CID 46936934." . "Calcipotriol is a synthetic analogue of vitamin D, and acts as an agonist at the vitamin D receptor." . "Vitamin D receptor agonist. Calcitrol is the active form of vitamin D found in the body." . "Eldecalcitol is a vitamin D analogue." . "Doxercalciferol is a synthetic analogue of vitamin D2 (ergocalciferol)." . "Vitamin D receptor agonist" . "A phospholipid component of cell membranes which is an important second messenger. Generation of phosphatidyl (3,4) inositol biphosphate at the cell membrane by class I PI kinases and SHIP phosphatases) activates a number of important cell signaling pathways." . "Colfosceril palmitate is a pulmonary surfactant." . "Estrogen receptor alpha agonist" . "Phenobarbital is also a component of the approved drug barbexaclone" . "An antagonist of both the glucocorticoid receptor and the progesterone receptor." . "Bexarotene is a retinoid that selectively activates retinoid X receptors (RXRs), and is used for its antineoplastic action." . "SR11237 is a pan retinoid X receptor (RXR) agonist that is devoid of any retinoic acid receptor (RAR) activity ." . "CD3254 is a selective retinoid X receptor-α (RXRα) agonist, with no activity at the retinoic acid receptors RARα, RARβ or RARγ ." . "UVI 3003 is a retinoid X receptor (RXR) antagonist ." . "A metabolite of the approved drug tamoxifen." . "Estrone, is an important endogenous mammalian estrogen, produced in vivo from androstenedione in the ovaries, placenta, and in adipose tissue. Post-menopausally, this is the primary circulating estrogen." . "Raloxifene is a selective estrogen receptor modulator (SERM)." . "Estriol (E3) is one of the three main endogenous human estrogens. E3 is only produced in significant amounts during pregnancy, being synthesised in the placenta from 16-hydroxydehydroepiandrosterone sulfate (16-OH DHEAS), an androgen of fetal origin." . "DPN is an estrogen receptor β selective agonist ." . "Daidzein is a soy phytoestrogen, which is metabolised to S-equol (PubChem CID 91469), an estrogen-like compound, in the presence of requisite gut flora. Daidzein may have beneficial health effects ." . "Toxaphene is a complex mixture of hundreds of different chlorinated compounds. The structure shown here is representative of one of these compounds and is the same as the one displayed in the PubChem entry linked to above." . "XCT790 is a selective estrogen-related receptor α (ERRα) antagonist/inverse agonist ." . "LPA is small biogenic and endogenous phospholipid derivative in mammals which acts as a potent signaling molecule" . "Endogenous nucleoside, a component of nucleic acids and an important neurotransmitter." . "Dihydrotestosterone is an androgenic metabolite of testosterone, it is the primary contributing factor in male pattern baldness." . "Testosterone is the principal male sex hormone and an anabolic steroid." . "Fluoxymesterone is an anabolic steroid which is around 5 times as potent as endogenous methyltestosterone." . "Bicalutamide is non-steroidal anti-androgen that binds to the andogen receptor. The INN record for this drug indicates that it is a mixture of stereo-isomers. We show the non-stereo molecule to represent this mixture. (R)-Bicalutamide has PubChem CID 56069." . "Antagonist of the lysophosphatidic acid receptors LPA1 and LPA3." . "Nilutamide is a synthetic, non-steroidal, pure antiandrogen." . "Cyproterone acetate is a steroidal, pure antiandrogen pharmaceutical agent." . "Prednisolone is a synthetic glucocorticoid. Marketed formulations may contain prednisolone sodium phosphate, prednisolone acetate, prednisolone hexanoate or prednisolone." . "Triamcinolone is a corticosteroid type anti-inflammatory drug. The approved drug often contains this formulation of the compound. The hexacetonide, furetonide and benetonide forms all have individual INNs." . "Cortisol is an endogenous adrenal glucocorticoid with immunosuppressant action. Approved as hydrocortisone. Hydrocortisone is a glucocorticoid receptor agonist.
Marketed formulations may contain hydrocortisone acetate (PubChem CID 5744)." . "Endogenous glucocorticoid." . "Triamcinolone is a synthetic glucocorticoid anti-inflammatory drug. The approved drug is often administered in the formulation . Hexacetonide, furetonide and benetonide forms are also used in the clinic, and have individual INNs." . "Administered as desoxycortone pivalate (Zycortal®) as a veterinary medicine to replace the missing in dogs with Addison's disease." . "Fludrocortisone is a synthetic mineralocorticoid drug. Although fludrocortisone has some glucocorticoid receptor (GR) agonist activity, it is considered as MR 'selective' in its extensive clinical use for mineralocorticoid replacement." . "Drospirenone is a synthetic analogue of , that has a similar pharmacological profile to endogenous . As a contraceptive agent it is used for its progestin-like activity, but it also has anti-androgen and anti-mineralocorticoid properties." . "Spironolactone is an orally active, potassium-sparing diuretic, which works by antagonising the effects of aldosterone at renal mineralocorticoid receptors." . "Eplerenone is a potassium-sparing diuretic, which works by antagonising the effects of aldosterone." . "Dydrogesterone is a synthetic progestogen with no androgenic or estrogenic properties which unusually does not inhibit ovulation." . "The DrugBank entry for medroxyprogesterone shows the structure of the acetate form. Medroxyprogesterone (drug name) is the parent compound with medroxyprogesterone acetate being the active ingredient of the approved drug." . "A synthetic progestational hormone but more potently inhibits ovulation than does progesterone.
Marketed formulations may contain norethisterone acetate (PubChem CID 5832)." . "Levonorgestrel is the name for the active isomer in norgestrel, a racemic mixture" . "Almorexant (ACT-078573) is an investigational, oral, dual orexin receptor antagonist (DORA) . Development of ACT-078573 was ceased in 2011, apparently because of the compound's side-effect profile." . "Suvorexant is the first approved orexin receptor antagonist drug. It is non-selective, being an equipotent antagonist of OX1 and OX2. The acronym for dual orexin receptor antagonist compounds/drugs is DORA." . "Celecoxib is a non-steroidal anti-inflammatory drug (NSAID) ." . "Rofecoxib is a non-steroidal anti-inflammatory (NSAID) drug." . "Valdecoxib is a non-steroidal anti-inflammatory drug (NSAID)." . "The brand Dynastat® contains parecoxib sodium (PubChem CID 15895902). Parecoxib is a water soluble prodrug of valdecoxib, a non‑steroidal anti‑inflammatory drug (NSAID)." . "Etoricoxib is a selective COX-2 inhibitor, non-steroidal anti-inflammatory (NSAID) drug.

COVID-19: Etoricoxib offers potential to be repositioned to inhibit cytokine storm in COVID-19 patients ." . "Lumiracoxib is a carboxylic acid, selective COX-2 inhibitor, non-steroidal anti-inflammatory (NSAID) drug." . "Potent CXCR4 antagonist.

Available experimental ADMET data:

Cytochrome P450 inhibition CYP1A2, CYP2C9, CYP3A4 (less than 5); CYP2C19 (5.3);CYP2D6 (6.4)
hERG pIC50 cellular (less than 4.7), binding (4.9)
hERG pIC50 cellular (less than 4.7), binding (4.9)
pKa 9.6, 8.0
LogP, LogD 4.5, 1.2
solubility (pH 1.0,pH 6.8 )g/L >5, >5

see for more details" . "Available experimental ADMET data:

Cytochrome P450 inhibition CYP1A2, CYP2C9, CYP3A4, CYP2C19 (less than 5); CYP2D6 (5.2)
hERG pIC50 cellular( less than 4.7), (binding),(4.9)
hERG pIC50 cellular (less than 4.7), binding (5.1)
pKa 9.5, 7.7
LogP, LogD 3.5, -0.2
solubility (pH 1.0,pH 6.8 )g/L >5, >5

see for more details" . "This is a radio-labelled analogue of that is a useful research tool. Resolvin E1 is an autacoid mediator that promotes the resolution of inflammation." . "TC14012 is a CXCR4 antagonist; also CXCR7 agonist" . "Kynurenic acid is a by-product of the kynurenine pathway, the main route for the non-protein metabolism (catabolism) of tryptophan ." . "Zaprinast is a phosphodiesterase inhibitor. It failed as a clinical drug candidate." . "Many salts and esters or pamoates are commecially available and are often used in bio-assays in place of pamoic acid.

Although not an approved drug itself, pamoic acid is a component of the INN-assigned compounds listed above." . "Active metabolite of the prodrug fingolimod." . "An aminocarboxylate analog of fingolimod" . "In its hydrate form, this compound is known as ML056." . "The (S)-enantiomer of 3-hydroxyoctanoic acid and is a β-oxidation intermediate" . "This ligand is compound 6a in reference which can be accessed here." . "Lorcaserin is a selective, orally available and CNS active serotonin 2C receptor agonist that modulates appetite . Cardiovascular safety in obese/overweight patients was reported by Bohula et al. (2018) .
Clinical formulations contain lorcaserin hydrochloride (PubChem CID 11673085)." . "Rat secretin differs in sequence from pig, mouse and human" . "The reference cited for this compound specifies that it is racemic." . "Norrin: is the protein product of the Norrie disease gene NDP, is a secreted protein whose biochemical function is not yet fully understood. This protein is highly homologous to the human sequence and is conserved in rat." . "The 3S, 5S-Atorvastatin enantiomer is inactive . Atorvastatin is metabolised to form active metabolites atorvastatin lactone (CID 6483036), o-hydroxyatorvastatin (CID 9808225) and p-hydroxyatorvastatin (CID 9851106).

Atorvastatin calcium is found in combination with amlodipine besylate in the drug Caduet®." . "Cerivastatin is a cholesterol-lowering drug." . "Fluvastatin is a member of the cholesterol-lowering statin family of drugs. The approved drug is a racemic mixture of a 3R, 5S isomer and a 3S, 5R isomer, and this is supported by the INN document which also indicates a racemate. The 3R, 5S isomer (shown here, and in the PubChem link below) is more pharmacologically active . The other isomer is represented by CID 1548972. Representations of the stereochemistry of fluvastatin shown on the resources linked to below may vary from the structure shown here. The majority of the references we cite for our biological activity data do not specify whether the racemate or a specific stereoisomer were used in their experiments." . "Pravastatin is a statin anti-dyslipidemia drug. Chemically the compound is a derivative of (compactin), which was originally isolated from Penicillium citrinum." . "Marketed formulations may contain rosuvastatin calcium (PubChem CID 5282455)." . "Simvastatin is a statin class anti-dyslipidemia drug. It is synthetically derived from a fermantation product from Aspergillus terreus.
Simvastatin is on the World Health Organisation's List of Essential Medicines. Click here to access the pdf version of the WHO's 21st Essential Medicines list (2019)." . "A metabolite of the approved drug atorvastatin, atorvastatin lactone is also used experimentally." . "This ligand is compound 9a from reference which can be accessed here." . "Meglutol is a hypolipidemic (lipid-lowering) agent. It is thought to inhibit HMG-CoA reductase and interfere with the conversion of acetate to HMG-CoA ." . "This is a synthetic peptide construct." . "ChEMBL represents this compound without the charges." . "ChEMBL represents this compound without the charges." . "ChEMBL represents this compound without the charge." . "Mevastatin, originally isolated from Penicillium citrinum, was the first HMG-CoA reductase inhibitor (statin) to be identified .
Note, the structure presented here is a representative one, as there is some ambiguity in the stereoisomeric specification, see and for the primary references." . "Pitavastatin is a statin drug." . "Dalvastatin is a synthetic inhibitor of HMG-CoA reductase with cholesterol-lowering activity in vivo. The sodium salt is more active than the parent molecule in its ability to reduce the LDL/HDL ratio. Dalvastatin is a prodrug which converts to its open hydroxyacid form in the body." . "A 3-hydroxy-3-methylglutaryl coenzyme A reductase (HMG-CoA reductase) inhibitor, with anti-hyperlipidemic potential." . "This is the biologically active isomer of 3-hydroxy-3-methylglutaryl-CoA." . "(R)-mevalonate is often referred to as mevalonate since only the R form is biologically active" . "A racemic mixture of natural substrate (R)-5-diphosphomevalonate and isomer (S)-5-diphosphomevalonate." . "(RS)-mevalonate is a mixture of two chiral isoforms, (R)-mevalonate and (S)-mevalonate. Only the (R)-form is biologically active." . "Ibandronic acid is a potent bisphosphonate drug." . "There is some ambiguity online as to the exact stereochemistry of E5700. The compound is also represented by CHEMBL258717 and CID 44450555." . "ChEMBL represents this compound without the charges." . "ChEMBL represents this compound without the charges." . "ChEMBL represents this compound without the charges." . "ChEMBL represents this compound without the charges." . "ChEMBL represents this compound without the charges." . "ChEMBL represents this compound without the charges." . "ChEMBL represents this compound without the charges." . "ChEMBL represents this compound without the charges." . "ChEMBL represents this compound without the charge." . "Alendronate is a bisphosphonate drug." . "FR-49175 is a toxic metabolite with anthiphagocytic and immunosuppressive properties synthesised by fungi such as Aspergillus fumigatus. It is an analog of a gliotoxin known to inhibit PAF-induced platelet aggregation." . "Risedronate is a bisphosphonate drug." . "Marketed formulations may contain zoledronic acid monohydrate (PubChem CID 121586)." . "An isosteric analogue of (R)-5-phosphomevalonate ." . "The compound structure was derived from the systematic name (not given in the primary literature)" . "Mammalian dolichol phosphate varies in molecular size from 18 to 21 isoprene units . The structure shown here is representative of dolichol phosphate with 2 isoprene groups." . "The structure of farnesol shown here does not specify cis/trans isomerism of the two double bonds. Farnesol is available for purchase in cis,cis-, trans,trans-, cis,trans- and trans,cis- forms, and these variations are shown on other databases. Hinson et al. (1997) does not specify which form of the compound was used." . "This is a positron-emitting radionuclide compound used to produce positron emission tomography (PET) scans." . "Note that the PubChem and ChEMBL records describe the unlabelled compound." . "Multivalent muscarinic M2 receptor antagonist. THRX160209 has been described as a bitopic ligand of the M2 receptor ." . "Quinuclidinyl benzilate is a anticholinergic glycolate that acts as a competitive, non-selective antagonist of muscarinic receptors in cardiac muscle, smooth muscle, exocrine glands and at postsynaptic receptors in neurons. It is a non-lethal incapacitating chemical warfare agent controlled under schedule 2 of the Chemical Weapons Convention of 1997." . "Please note that the reference from which our data is derived does not specify stereochemistry for this compound, however, the INN- and CAS registry number- assigned structures, and chemical suppliers specify the stereocentres that we show here. This compound is represented without defined stereochemistry by Pubchem CID 9953065." . "PSB1115 is a selective, water-soluble adenosine A2B receptor antagonist , suitable for use as a research tool compound." . "There is some ambiguity in the literature and on other online resources as to the stereochemistry of apadenoson, therefore representations elsewhere may vary slightly from the structure shown here. Our structure is the same as that specified in , while the compound is shown on PubChem with CID 9805430." . "The properties of this maxadilan analogue were first described in ." . "Cinacalcet is a positive allosteric activator of the calcium-sensing receptor (CaSR), thus improving the effect of calcium on tissues expressing this receptor." . "This ligand entry also represents L-aspartate (CHEBI:29993), the carboxylate anion and salt form of the acid. It is in the aspartate form that the ligand is transported across cell membranes." . "AM251 is a CB1 receptor antagonist/inverse agonist. Experiments in rats indicate that AM251 has potential as a prophylactic antidote to the cannabinoid receptor mediated, often life-threatening, side-effects that are an increasingly common cause for concern in individuals taking highly potent synthetic cannabinoids recreationally ." . "Zafirlukast is an oral leukotriene receptor antagonist (LTRA), with selectivity for cysteinyl leukotriene receptor 1 (CysLT1 receptor)." . "The cis-isomer of VU0003423" . "SR2640 (hydrochloride) is a potent and selective LTD4/LTE4 receptor antagonist." . "This is an E-series resolvin." . "The structure of butaprost shown on this ligand entry is the same as that of the INN-assigned structure. A second form of the ligand, is often used experimentally and is also listed on our website. Representations of butaprost on other databases and in the literature may show the free acid form." . "Montelukast is a leukotriene receptor antagonist (LTRA), with selectivity for cysteinyl leukotriene receptor 1 (CysLT1 receptor)." . "Midazolam is a benzodiazepine class sedative drug." . "Potent, subtype-selective antagonist for the metabotropic glutamate receptor subtype 5 (mGlu5) ." . "LY255283 is a competitive and selective antagonist of the BLT2 receptor." . "Laropiprant is an orally active prostanoid DP1 receptor antagonist . It inhibits niacin-induced vasodilation ." . "Diazepam is a benzodiazepine drug with long acting anticonvulsant, anxiolytic, sedative, muscle relaxant, and amnesic properties." . "CP105696 is a potent and selective leukotriene B4 receptor antagonist." . "Chlordiazepoxide is a benzodiazepine drug. The structure shown here is the same as that shown in the INN document for this compound. However, chlordiazepoxide is also commonly represented in the literature with the structure shown by CID 2712." . "CBiPES (LY566332) is a metabotropic glutamate receptor 2 positive allosteric modulator (PAM)." . "BAYu9773 is a dual CysLT1 and CysLT2 receptor antagonist." . "AMMTC is a mixture of enantiomers (+)-AMMTC and (-)-AMMTC" . "Deoxyadenosine triphosphate, labeled on the alpha phosphate group with [35S], typically used in DNA sequencing, DNA labeling and and reverse transcription." . "[35S]ATPαS is a radoligand that can be used to label ATP binding sites such as P2Y-purinoceptors in tissue specimens ." . "An experimental radiotracer which is an antagonist of the metabotropic glutamate receptor mGlu1. The radiotracer was developed for imaging mGlu1 receptor in vivo ." . "Synthesised C-terminal nonapeptide of mature chemerin" . "mc-PAF is the metabolically stable analogue of PAF" . "Obeticholic acid is a semisynthetic bile acid analogue. It acts as a farnesoid X receptor (FXR) agonist." . "Note that ChEMBL represents this molecule as a hydroxyl tautomer of our representation." . "PHTPP is an estrogen receptor β antagonist." . "Ciprofibrate is a PPARα agonist." . "Gemfibrozil is a fibric acid antilipemic agent, pharmacologically similar to clofibrate." . "The approved drug procaterol is a mixture of 1R 2S and 1S, 2R stereoisomers. Four isomers are listed by PubChem." . "Formoterol is a long-acting inhalation bronchodilator. The approved drug is a racemic mixture of enantiomers; PubChem lists 6 CIDs as isotopes of this molecule. We show the non-chiral molecule here to represent the mixture. The marketed formulation may contain formoterol fumarate (PubChem CID 9912089)." . "Atrasentan is an orally available, nonpeptide endothelin antagonist. The stereochemistry represented here matches that defined in the INN record for atrasentan." . "Aprepitant is a NK1 receptor antagonist." . "Bosentan is an endothelin receptor antagonist." . "CP 376,395 (CP-376395) is an orally active, selective CRF1 receptor antagonist ." . "This ligand is a stereoisomer of and the names of the two compounds have been used interchangeably in the literature." . "Mitemcinal is a non-peptide, orally active motilin receptor agonist that was developed by Chugai Pharmaceutical as a prokinetic agent for the treatment of gastroparesis ." . "SB290157 is an antagonist of the human Complement C3a receptor (C3aR)." . "SB328437 is a potent and selective CCR3 antagonist." . "SSR125543A is a corticotropin releasing factor-1 (CRF-1) receptor antagonist." . "Sufentanil is a synthetic opioid analgesic drug, more potent than its parent and reported to be 500-fold more potent ." . "Ulimorelin is a ghrelin receptor agonist that has been investigated as a potential treatment for gastrointestinal dysmotility." . "UCB35625 is a potent and selective dual antagonist of the chemokine receptors CCR1 and CCR3 . May be used experimentally as the iodide salt." . "Zibotentan is an endothelin receptor antagonist. It has been assessed as an anti-cancer treatment. Click here to link to ClinicalTrials.gov's list of zibotentan/ZD4054 trials." . "Mouse GLP-2(1-33) differs from human at residues 11 (Serine) and 19 (Threonine). The mouse sequence differs to rat at residue 11 (Serine)" . "Mouse GLP-2(3-33) is different from human at residues 9 (Serine) and 17 (Threonine) and from rat at one residue in position 9 (Serine).

GLP-2(3-33) is the result of N-terminal dipeptide proteolytic cleavage of GLP-2(1-33) by serine protease dipeptidyl peptidase IV. GLP-2(3-33) is able to interact with GLP-2 receptors even though it remains unclear whether GLP-2(3-33) has a biological activity in vivo or may affect the biological activity of GLP-2(1-33) " . "Human GIP differs from mouse GIP at residues 18 (Histidine), 30 (Lysine) and 34 (Asparagine) and from rat at residues 18 and 40." . "Mouse GIP differs from human GIP at residues 18 (Arginine), 30 (Arginine) and 34 (Serine) and from rat GIP at residues 30 (Arginine), 34 (Serine) and 40 (Isoleucine)." . "The rat Ucn2 sequence differs from the mouse sequence by 2 residues at positions 21 (aspargine) and 37 (arginine)." . "The mouse ET-2 sequence is identical to the rat ET-2 sequence." . "Rat and mouse sequences are identical" . "Human, mouse and rat sequences are identical" . "Gastrin-6 is the smallest circulating bioactive gastrin in humans. It is found in sulfated and nonsulfated forms, with sulphation increasing efficacy ." . "Sulfated form of gastrin-17." . "Sulfated form of gastrin-34." . "Sulfated form of gastrin-71." . "The rat cathepsin G sequence used here is the predicted sequence from NCBI (NP_001099511) where the first 26 amino acids residues have been confirmed to be the N-terminal fragment ." . "Rat and mouse F2L sequences are identical. F2L is an acetylated 21-aa cleavage protein of haem-binding protein" . "Rat, mouse and human sequences are identical." . "The genes encoding mouse and rat calcitonin respectively also encodes two other isoforms: katacalcin and α-CGRP. Mouse and rat α-CGRP is represented by ." . "The 18C chain acyl group may be joined to either of the oxygen atoms in the glycero group" . "The sequence of human neuromedin N is one amino acid shorter than that of the rat and mouse peptides, which consist of six amino acids, and are identical in sequence." . "This is an enodgenous peptide secreted by the pituitary gland and is one of the peptide products of the POMC gene. It stimulates secretion of glucocorticoid steroid hormones. ACTH is used as a drug with the INN corticotropin. ACTH is an important component of the hypothalamic-pituitary-adrenal axis and is often produced in response to biological stress." . "Pranlukast is a leukotriene receptor antagonist (LTRA), with selectivity for cysteinyl leukotriene receptor 1 (CysLT1 receptor). It is estimated to be 4500-fold selective for CysLT1 over CysLT2 in vitro ." . "The term 'phosphatidylserine' represents a class of compounds in which a phosphatidyl group is esterified to the hydroxy group of serine.The structure shown here is representative of the class. For more information, please see the relevant entry on ChEBI." . "L-DOPA is the precursor to the neurotransmitters dopamine collectively known as catecholamines. Used in the treatment of Parkisons disease. Note a deuterated derivative D3 L-DOPA with enhanced properties is under development." . "The pharmaceutical formulation of secretin is manufactured by solid phase peptide synthesis." . "CXCL13 is a C-X-C motif homeostatic chemokine that is selectively chemotactic for B cells belonging to both the B-1 and B-2 subsets. It exerts its biological effects via binding to the chemokine receptor CXCR5. CXCL13 expression can be regulated by the lymphotoxin β receptor (LTBR) pathway, and it contributes to ectopic tertiary lymphoid tissue development at sites of chronic inflammation in several autoimmune diseases, for example in the lacrimal and salivary glands of Sjögren's patients . The CXCL13/LTBR axis is considered as a potential therapeutic target in conditions like Sjögren's syndrome. This is evidenced by the development of pharmaceutical agents that block LTBR activity being advanced to clinical trials (e.g. baminercept (BG9924) which is a soluble LTBR-IgG Fc fusion protein )." . "Although CCL27 is reported as the endogenous ligand for the CCR10 chemokine receptor as shown by the specificity of a calcium flux assay, no affinity value is provided ." . "XCL1 is a C class chemokine also known as lymphotactin." . "CCL28 is a CC family chemokine." . "N-terminally extended forms of neurokinin A." . "The amino acid sequence for endomorphin-2 is believed to be common to all mammalian species

An endogenous peptide, the gene encoding the endomorphin precursor has not yet been identified ." . "C-terminal fragment of parathyroid hormone related peptide." . "CXCL14 is a C-X-C motif chemokine with a broad spectrum of biological activities." . "CXCL4 is a C-X-C motif chemokine first identified in megakaryocytes and platelets. It is a potent antiangiogenic chemokine and also promotes inflammatory fibrosis . It can be used as a prognostic marker for the fibrosing autoimmune disease systemic sclerosis (scleroderma) . A CXCR3 splice variant, CXCR3B, is a functional receptor for CXCL4 ." . "The reference states that the chiral specification for carbon 9 was not determined. The structure shown here does not specify stereochemistry at carbon 9; however, the authors indicate it would be in either the R or S configuration." . "DKK1 is a secreted protein that inhibits canonical Wnt/β-catenin signalling via interaction with the LRP5/LRP6 co-receptor. It is involved in normal biological processes such as embryonic development and bone homeostasis . In the cancer setting DKK1 promotes an immunosuppressive tumour microenvironment , and is associated with cancer cell proliferation, invasion, and tumour growth . Neutralising DKK1 function is being investigated as an oncology therapeutic strategy." . "The C1q domain is commonly called the globular domain" . "The active protein functions as a cross-linked homodimer" . "From Heloderma horridum horridum (Mexican beaded lizard)" . "Synthetic analogue of the A chain subunit of human INSL3" . "Radiolabelled synthetic analogue of vasotocin, chelated with DOTA (1,4,7,10-tetraazacyclododecane- 1,4,7,10-tetraacetic acid)" . "Radiolabelled synthetic analogue of human/rodent NPY" . "Radiolabelled synthetic analogue of substance P" . "Rat and mouse sequences are identical" . "For the structure of this ligand see the non-labelled analogue" . "Radiolabeled synthetic analogue of vasotocin" . "Radiolabelled form of human FSH. This ligand consists of two subunits, and . For the amino acid sequences of the subunits, please see the individual ligand pages." . "Radiolabelled form of human GHRH" . "Iodinated GnRH II is used in research laboratories, primarily in radio-ligand binding studies." . "Synthetic chimeric analogue of human relaxin-3 and human INSL5. The B chain of human relaxin-3 is radiolabelled (using 125 at tyrosine 5) and forms a heteromer with the A chain of human INSL5. For details of the amino acid sequences of the subunits, see the ligand entries and ." . "Radiolabelled analogue of (HOE 140), a synthetic analogue of bradykinin." . "Radiolabelled analogue of human des-octanoyl-ghrelin" . "Synthetic analogue of substance P labelled with tritiated hydrogen and Bolton-Hunter reagent" . "Radiolabelled synthetic analogue of AVP" . "Radiolabelled synthetic analogue of AVP" . "Synthetic analogue of ET-1" . "From Phyllomedusa bicolor" . "Synthetic analogue of bombesin ." . "Synthetic analogue of bradykinin" . "Synthesised fragment of neurokinin A" . "Synthetic analogue of bradykinin, retaining the same sequence as the natural peptide" . "Synthetic analogue of substance P" . "Synthetic analogue of substance P" . "This compound is represented on ChEMBL with slightly different stereochemistry by the entry CHEMBL2104421. Our structure matches that in the PubChem entry linked to above." . "BODIPY® TMR is a yellow fluorescing fluorophore, used as an imaging reagent. In this case the fluorophore labels human neuromedin U peptide." . "Buserelin is a GnRH (luteinizing hormone-releasing hormone, LHRH) agonist. Buserelin does not appear to have marketing approval for human use in the US or EU, although individual countries may have approved use of this drug." . "CXCL15 has no human homolog." . "Fluorescent analogue of human and porcine NmU-8, representing the 8 C-terminal amino acids." . "Synthetic analogue of AVP" . "Synthetic analogue of AVP" . "Synthetic analogue of oxytocin" . "Fragment of NPY" . "Europium-labelled relaxin is a chemiluminescent probe analogue of human relaxin. It consists of 2 subunits: , and . For the amino acid sequences of the subunits please see their individual ligand entries." . "Europium-labelled INSL3 is a chemiluminescent probe analogue of human . The molecule is labelled with europium on the N-terminus of the INSL3 A chain. For details of the amino acid sequences of the subunits, and , please see their individual ligand entries." . "Synthetic analogue of rat galanin" . "There is some ambiguity surrounding the exact stereochemistry of ganirelix. The structure shown here is the same as that linked to on PubChem above. Other representations are CID 16130957 and CID 25081094." . "From Petromyzon marinus (Sea lamprey)" . "Goserelin is a synthetic analogue of the decapeptide, gonadotropin releasing hormone (GnRH). It is known as a 'superagonist'." . "R-954 is a potent, selective and stable peptide antagonist of the inducible GPCR kinin B1 receptor ." . "Marketed formulations contain histrelin acetate (PubChem CID 25084151)." . "The peptide sequence given here (and the associated data) is for the shortest peptide analogue in the series which retained full binding to RXFP2 ." . "A naturally occuring truncated form of the relaxin receptor 1 (RXFP1) . This truncated form is uterus-specific and results from the deletion of exon-4. The exact amino acid sequence of this protein is unspecified in the reference" . "A synthetic chimeric peptide, consisting of galanin (1-13) and neuropeptide Y (25-36)" . "A chimeric synthetic peptide, consisting of galanin (1-13) and bradykinin (2-9)" . "Synthetic analogue of galanin" . "A synthetic analogue of galanin" . "Nafarelin is a gonadotropin releasing hormone receptor agonist. The structure shown here is from PubChem CID 25077405." . "Synthetic chimeric peptide consisting of the A chain of human INSL5 linked via cysteine bonds to a synthetic analogue of the human relaxin 3 B chain. The two subunit components are linked by disulphide bonds between cysteine residues. The sequence of the relaxin 3 component is shown via the link in the structure tab; for the sequence of the other subunit see ." . "The gp120 envelope glycoprotein of the R5-HIV-1 strain. The amino acid sequence of this protein is not specified in the literature" . "Cyclic peptide" . "Synthetic analogue of C3a" . "The gp120 envelope glycoprotein of the X4-HIV-1 strain. The amino acid sequence of this protein is not specified in the literature" . "The drug thyrotropin alfa is a peptide heterodimer consisting of an α and β subunit and mimics the endogenous peptide hormone." . "Radiolabelled synthetic analogue of human PP" . "Lasmiditan is a potent and selective 5-HT1F receptor agonist that was developed by Eli Lilly , as an alternative to triptan drugs for the treatment of migraine. 5-HT1F selectivity is reported to eliminate the vasoconstrictor properties of triptans (mediated via 5-HT1B/1D receptor agonism) that contraindicate their use in patients with coronary artery disease ." . "This is a D (docosahexaenoic acid) series resolvin. There is some ambiguity in the literature and on online resources as to the exact stereochemistry of resolvin D1. The structure shown here is the same as that shown in the PubChem entry linked to above, while other common representations include CID 44251266 and CID 16061135." . "F2L is an acetylated 21-aa cleavage protein of the N-terminal of haem-binding protein" . "Valsartan is an antagonist with high affinity for the type I (AT1) angiotensin receptor." . "Synthetic analogue of bombesin" . "Sitaxentan sodium (as a component of the product Thelin) appears to be approved for use in only Canada and the UK." . "Ambrisentan is an endothelin receptor antagonist, with selectivity for the type A endothelin receptor (ETA)." . "Plase note that the image shown here does not specify the position of the carbon isotope." . "From Bungarus multicinctus (Many-banded krait)" . "From Conus imperialis (Imperial cone)" . "Bradanicline is an investigational agonist of neuronal α7 subunit-containing nicotinic acetylcholine receptors ." . "From Conus magus (Magician's cone snail)" . "From Conus aulicus (Court cone)" . "From the venom duct of the Conus pennaceus (Feathered cone) (Conus episcopus)" . "From Conus geographus (Geography cone)" . "From the venom gland of Tropidolaemus wagleri (Wagler's pit viper)" . "From the venom duct of Conus purpurascens (Purple cone marine snail)" . "Mecamylamine is a non-selective, non-competitive antagonist of nicotinic acetylcholine receptors (nAChRs). It is often used as a research tool for its action as a ganglionic blocker (or ganglioplegic)." . "Rivanicline is an agonist at neural nicotinic acetylcholine receptors, binding primarily to the α4β2 subtype . Potential clinical use of rivanicline is discussed in patent US5616707 ." . "From the venom glands of Conus magus (Magician's cone snail)" . "Pancuronium is a non-depolarizing curare-mimetic muscle relaxant, whose main action is as competitive acetylcholine antagonist at nicotinic acetylcholine receptors at neuromuscular junctions. Pancuronium is notoriously one of the components of the lethal injection in administration of the death penalty." . "Approved as vecuronium bromide (PubChem CID 39764).
The neuromuscular blockade induced by vecuronium can be reversed by administering the selective relaxant binding agent (SRBA) sugammadex (PubChem CID 6918584, a.k.a. Bridion®, Org 25969)." . "Approved as rocuronium bromide.
The neuromuscular blockade induced by rocuronium can be reversed by administering the selective relaxant binding agent (SRBA) sugammadex (PubChem CID 6918584, a.k.a. Bridion®, Org 25969)." . "Succinylcholine (sux) is a short-acting depolarizing neuromuscular blocker. It acts as an acetylcholine agonist at nicotinic acetylcholine receptors at neuromuscular junctions, resulting in persistent depolarization of the motor end plate." . "From Conus arenatus (Sand-dusted cone)." . "From Conus regius (Crown cone)" . "From Conus geographus (Geography cone) (Nubecula geographus)" . "Derived from Conus magus (Magician's cone snail)" . "The structure of this compound in not specified in the available literature." . "The structure of this compound is not specified in the available literature." . "The structure of this compound is not specified in the available literature." . "The structure shown is representative of the lysophosphatidylinositol group of compounds. The carbon chain attached to the acyl group (shown here as CH3) can be of varying length." . "Camicinal is a motilin receptor agonist." . "Reference specifies that the hydrochloride form of this compound was used in the experiments from which our data is derived; however, please note that this compound is also available for purchase experimentally as the 'parent' compound without HCl." . "MK-2894 is an EP4 receptor antagonist." . "Vorapaxar is an orally active thrombin receptor (PAR1) antagonist based on the natural product himbacine , that is used as an anti-thrombosis drug." . "A fluorescent probe" . "Picrotoxin (C30H34O13) is an equimolar mixture of two compounds, (C15H16O6) and (C15H18O7)." . "WAY200070 is an estrogen receptor β (ERβ) selective agonist (68-fold selective over ERα) . It displays antianxiolytic and antidepressive effects in vivo .
The PubChem CID above represents an alternative tautomer which is an intermediate of the equilibrium shift between phenol and phenolate undergone by the phenol group." . "Retinol (vitamin A1) plays an essential role in (night) vision, normal bone and tooth development, reproduction, and is required for maintaining the integrity of skin and mucous membranes. It has antioxidant activity." . "AC55649 is a retinoic acid receptor (RAR) agonist with 100-fold selectivity for the RARβ2 isoform (pEC50 6.9, compared to 5.7 for RARβ1 and 5.6 for RARα) ." . "Truncated analogue of PAMP-20" . "This peptide is a proenkephalin A-derived agonist of the orphan GPCR, MAS related GPR family member X1 (MRGPRX1)." . "Isolated from the skin of Phyllomedusa bicolor (two-coloured leaf frog)" . "Please note that the structure shown here does not specify the position of the tritiated hydrogen." . "This steroidal compound behaves as a neuroactive agent with anti-depressant activity in mood disorders . Pharmacologically it is a positive allosteric modulator of GABAA receptors." . "Inhibitor of TRPM4 ." . "A317491 is a purinergic P2X3 receptor antagonist with analgesic potential." . "A438079 is a P2X7R antagonist." . "Chemically amantadine has an adamantane backbone with an amino group substituted at one of the four methyne positions. Clinically it has antiviral (blocking the viral M2 proton channel) and antiparkinsonian actions." . "From Conus geographus (Geography cone)" . "Based on this compound's allosteric action on AMPA receptor activity it was used as the structural basis for the development of novel potential ampakines. These compounds are being investigated as nootropics and neuroprotective drugs for the treatment of Alzheimer's disease (AD) and other neurodegenerative conditions (see patent US6730677)." . "From Anthopleura elegantissima (Sea anemone)" . "The structure shown here is representative of the argiotoxin group of compounds which are polyamine toxins extracted from the orb-weaver spider (Araneus gemma and Argiope lobata)." . "Aspirin is the prototypical cyclooxygenase inhibitor and inhibits the biosynthesis of prostaglandins. Aspirin acid also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis." . "From the venom gland of Dendroaspis polylepis polylepis (Black mamba)" . "Cannabidiol (CBD) is a natural extract from Cannabis plants (a 'cannabinoid'), which has recently been approved as a much needed therapy for the treatment of orphan pediatric epilepsy syndromes. It may also have benefit in schizophrenia or post-traumatic stress disorder. The major advantage of CBD over other cannabinoids such as , is that it is devoid of psychotropic effects, whilst retaining analgesic, anti-inflammatory and other beneficial actions.
CBD is also commonly represented with the structure shown by CID 26346." . "Carbenoxolone is derived from licorice root, and has a steroid-like chemical structure. Formulations used clinically typically contain carbenoxolone sodium." . "Please note that ChEMBL represents this compound as a tautomer of our structure." . "Clomiphene is an estrogen receptor alpha modulator, it can act an agonist or antagonist depending on the target tissue. The approved drug clomiphene is a racemic mixture of the two geometric isomers, E and Z clomiphene (also known as and zuclomiphene). Zuclomifene is the more active isomer." . "Cyclothiazide functions primarily as an inhibior of the sodium-chloride symporter (SLC12A3) in distal convoluted tubules." . "The D-confirmation of AP5 is the more active isomer. This compoundis represented by ChEMBL without the charge (see link above)." . "Dantrolene inhibits ryanodine receptor subtypes 1 and 3 (RyR1, and RyR3). The structure of dantrolene is commonly represented in the literature with charges, and it is this structure that we show here and link to in PubChem. However, the FDA and INN documents represent the compound without the charge.
Marketed formulations may contain dantrolene sodium (PubChem CID 6604100)." . "This compound inhibits ATP-binding cassette transporter 1 (ABCA1) .
There is some ambiguity as to the exact structure of this compund, with both the (E) and (Z) forms reported in the literature and on supplier websites. We show the (E) bond. The (Z) is shown in PubChem CID 9548709." . "Toxin from Chilobrachys guangxiensis (Chinese earth tiger tarantula). Analysis of the mechanism of TRPV1 activation by DkTx is reported by Geron et al. ." . "Dysiherbaine is an excitatory amino acid isolated from a marine sponge (Dysidea herbacea), with high affinity for kainate ionotropic glutamate receptors ." . "Felodipine is a long-acting calcium channel blocker, and one of the dihydropyridine class of drugs." . "Flumazenil reverses the effects of benzodiazepine sedatives." . "A benzodiazepine with pharmacologic actions similar to those of diazepam. Due to illicit use of this drug importation has been banned by the US, but medicinal use is approved in other countries." . "Please note that the PubChem entry linked to above refers to the acid form of the compound." . "Flurbiprofen is member of the nonsteroidal anti-inflammatory drug (NSAID) family. It has antipyretic and analgesic activity." . "Present in many marine invertebrate species" . "From Leiurus quinquestriatus hebraeus (yellow scorpion)" . "From the venom gland of Leiurus quinquestriatus hebraeus (Yellow scorpion)" . "GSK1016790A is an activator (agonist) of the transient receptor potential cation channel, TRPV4." . "From the Chilean rose tarantula (Grammostola rosea)." . "Heparin is an endogenous secretory glycosaminoglycan (GAG) that is released predominantly from connective tissue mast cells. Isolated heparin is used clinically as an anti-coagulant. Structurally, heparins (generally known as unfractionated heparin) are a heterogeneous group of anionic, sulfated GAGs. Commercial preparations usually vary in size from 12-15 kDa, while a low molecular weight (fractionated) versions are also available. Database entries may specify the sodium salt forms.

SARS-CoV-2: There is strong experimental evidence which shows that heparin interacts directly with GAG-binding motifs on the Spike glycoprotein of SARS-CoV-2 , and that inhibiting this interaction can reduce SARS-CoV-2 infection of host cells . These findings suggest that heparin may offer repurposing potential as a prophylactic COVID-19 therapeutic , in addition to its benefit as a treatment for COVID-19-related thrombotic complications." . "From the venom gland of Mesobuthus tamulus (Eastern Indian scorpion). Iberiotoxin is selective for KCa1.1 channels that associate with β1, β2 and β3 regulatory subunits . In contrast the KCa1.1 channels containing the β4 subunit that are found predominantly in the central nervous system are resistant to iberiotoxin inhibition " . "Toxin isolated from the venom of spider species Nephila clavata. There is some ambiguity surrounding the structures representing this compound on other databases. The structure shown here is that of CID 119582, which had the synonym joro spider toxin 3." . "Ketamine is a rapidly acting ionotropic glutamate channel blocker with broad therapeutic application, approved in 1970. The structure shown is the racemate that is also used as the hydrochloride PubChem CID 15851. Of the two ketamine enantiomers, (S enantiomer) is being developed as a drug in its own right, but the less active (R enantiomer) is not. A recent report (Nature April 2016) implicated certain ketamine metabolites and their stereoisomers in different mechanisms of action . In particular, seems to be responsible for NMDAR-independent antidepressant effects. The Nature paper authors filed a patent including some of the data .
Ketamine is on the World Health Organisation's List of Essential Medicines. Click here to access the pdf version of the WHO's 21st Essential Medicines list (2019)." . "KN-62 is a selective, cell permeable inhibitor of Ca2+/calmodulin-dependent kinase type II (CaMKII) and also acts as a non-competitive antagonist of the purinergic receptor P2RX7 . For details of a non-isomeric form of this compound used in kinase screens please see our ligand entry ." . "L701324 is an orally active, high affinity selective antagonist for the glycine site on the NMDA receptor . The glycine binding site resides within the GluN1 subunit of the receptor." . "Chemically lubiprostone is a bicyclic fatty acid derived from prostaglandin E1 (). It acts as selective activator of ClC-2 chloride channels located at the apical aspect of gastrointestinal epithelial cells." . "LY339434 is a potent and selective agonist of the kainate receptor GluK1 (a.k.a. GluR5) ." . "Mefloquine belongs to the aryl amino alcohols, a chemical class of antimalarial drugs that includes , and .
The approved drug is a racemic mixture of (R,S)- and (S,R)-enantiomers. We show the chemical structure without stereochemistry to represent the mixture and the non-isomeric structure is also represented in the PubChem and ChEMBL entries listed in the links table below, while the two enantiomers forming the racemate are represented by PubChem CID 40692 and PubChem CID 456309. PubChem lists 9 stereoisotopes.
The administerd form contains the mefloquine hydrochloride salt.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.

Activity at non-malarial protein targets:
Racemic mefloquine has been identified as an antagonist of the human adenosine A2A and A1 receptors, with nanomolar binding affinities . The (11R,2'S) isomer of mefloquine (PubChem CID 456309) has been determined as the most potent A2A binder, with a Ki of 61 nM (Ki vs. A1 receptor is 255 nM) . It has been suggested that off-target activity at human adenosine receptors may contribute towards the adverse neuropsychiatric side-effects that are associated with mefloquine use." . "Memantine is a non-competitive NMDA receptor antagonist approved for Alzheimer's disease but is also being studied in non-dementia psychiatric disorders ." . "The structure shown here is the same as the INN-assigned structure for this compound. The charges represent the movement of electrons towards the oxygen atom. Our representation of the structure is different to that shown on PubChem, where the molecule is shown without the charges." . "ML204 is a dual inhibitor of TRPC4 and TRPC5 channels . Although it is sometimes referred to as being selective for TRPC4, it exhibits only 9-fold preference for TRPC4 compared to TRPC5." . "Nafamostat is a guanidinobenzoate-containing inhibitor, with activity against a range of serine proteases. Some data is attached to nafamostat mesylate (PubChem CID 5311180)." . "Although we show the non-isomeric molecule, the approved drug masoprocol is a specific stereoisomer of NGDA, with IUPAC name 4-[(2S,3R)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol (as shown in the PubChem record). The ChEMBL record displays the non-stereoisomeric molecule. PubChem lists 6 stereoisomers of this compound." . "This is a radio-labelled analogue of , an autocoid mediator that promotes resolution of inflammation." . "This is the mouse homolog of human ." . "This approved drug omeprazole is a racemic mixture of the R and S stereoisomers. Omeprazole is a potassium-transporting ATPase inhibitor, commonly referred to as a proton pump inhibitor." . "Phenylacetylrinvanil is a 'capsaicinoid' type compound that is a potent agonist/activator at the transient receptor potential vanilloid type 1 (TRPV1) channel . Structurally it is a hybrid molecule that combines a vanillamide TRPV1 agonist with a non-polyunsaturated fatty acid-derived cannabinoid CB2 receptor-selective ligand. Phenylacetylrinvanil has demonstrated some antineoplastic activity against leukaemia cells in vitro and in vivo and against cervical cancer tumour cell lines ." . "Found in apple tree leaves and in the Manchurian apricot. Another naturally occuring organic molecule, phlorizin, which is found in the bark of several types of fruit tree, is converted into phloretin in the body by hydrolytic enzymes." . "Piracetam is a cyclic derivative of (gamma-aminobutyric acid)." . "Procaine was approved by the FDA in combination with penicillin in 1948.
Marketed formulations may contain procaine hydrochloride (PubChem CID 5795). In the WHO Essential Medicines list as procaine benzylpenicillin." . "From the venom of Psalmopoeus cambridgei (Trinidad chevron tarantula)." . "S18968 is a positive allosteric modulator of AMPA-type glutamate receptors (an AMPA potentiator), with potential cognition-enhancing properties . S18986 corresponds to the S enantiomer." . "The rat and mouse PHI sequences are identical" . "Chemically, salicylic acid is a monohydroxybenzoic acid, a type of phenolic acid and a beta hydroxy acid. It was oridinally isolated from the inner bark of the willow tree. Clinically, it is an important active metabolite of ." . "SB202190 is a potent and selective p38 MAPK inhibitor, that preferentially inhibits p38α and p38β." . "From the venom gland of Hysterocrates gigas (African tarantula)" . "SYM2081 is a potent agonist of the kainate receptors GluK1 and GluK2 (formerly GluR5 and GluR6) ." . "Toremifene is an orally active, selective estrogen receptor modulator (SERM)." . "Triamterene is a potassium-sparing diuretic." . "Triflupromazine is a phenothiazine class antipsychotic drug." . "URB597 is an irreversible inactivator of fatty acid amide hydrolase (FAAH) with activity against FAAH2 ." . "The structure of this compound is drawn from the article which describes its discovery . This compound is represented in PubChem by the alternative tautomer CID 5405906." . "Ivacaftor is a cystic fibrosis transmembrane conductance regulator (CFTR) potentiator, the net effect of which is increased chloride channel opening." . "Zaleplon is a nonbenzodiazepine, pyrazolopyrimidine class hypnotic drug." . "Marketed formulations contain zolpidem tartrate (PubChem CID 18004026)." . "Probenecid is considered to be the prototypical uricosuric agent." . "CXCL12-1α and β were the first isoforms of this chemokine identified. Both proteins contain a signal peptide sequence that mediates their secretion via the canonical intracellular secretory pathway. CXCL12 participates in a variety of processes central to homeostasis and physiology, exerting its biological effects by binding to the chemokine receptors CXCR4 and CXCR7." . "Please note the image of the structure shown here does not specify the position of the carbon isotope." . "XCL2 is a C subfamily chemokine, closely related to . It alternates between monomeric and dimeric states under physiological NaCl and temperature conditions. The monomeric form activates its G protein-coupled receptor XCR1, and the dimeric form is important for glycosaminoglycan (GAG) binding ." . "An analogue of H2 relaxin, B-R13/17K H2 relaxin is a dimer of A and B chains. The arginine residues of the B chain of H2 relaxin (amino acids 13 and 17) are substituted for lysine residues, to form the analogue, whereas the A chain has the amino acid sequence of the natural subunit. The amino acid sequence of this synthetic B chain is shown on the 'structure' tab. For the structure of the A chain, see the ligand page for human ." . "A synthetic analogue consisiting of two subunit chains, on with the natural sequence of , and the other a truncated version of the natural sequence of the B chain. The sequence of the shorter chain can be found under the 'structure' tab." . "Europium-labelled relaxin-3-B/INSL5 A chimera is a chemiluminescent probe analogue of the ligand relaxin-3/INSL5 chimera. It consists of 2 subunits: the B chain subunit of human relaxin-3 and the A chain subunit of human INSL5." . "Europium-labelled INSL5 is a chemiluminescent probe analogue of human . It consists of the subunits and . For details of the subunit amino acid sequences, please see their individual ligand entries." . "The glycoprotein hormone common alpha subunit differs from the mouse peptide at residues 6, 68 and 85" . "CCL18 is a CC family chemokine. There are no rodent homologs of this human chemokine." . "This is the mouse homolog of human ." . "This is the rat homolog of human ." . "This is the mouse homolog of human ." . "This is the rat homolog of human ." . "This is the mouse homolog of human ." . "This is the rat homolog of human ." . "This is the mouse/rat homolog of human ." . "This is the mouse homolog of human ." . "This is the rat homolog of human ." . "This is the mouse homolog of human ." . "This is the rat homolog of human ." . "This is the mouse homolog of human ." . "This is the mouse homolog of human ." . "This is the rat homolog of human ." . "This is the mouse homolog of human ." . "This is the mouse homolog of human ." . "This is the mouse homolog of human ." . "This is the mouse homolog of human ." . "This is the mouse homolog of human ." . "s is the rat homolog of human ." . "This is the mouse homolog of human ." . "This is the rat homolog of human ." . "Murine Cxcl5 is thought to be orthologous to human ." . "This is the mouse homolog of human ." . "This is the mouse homolog of human CXCL10." . "This is the rat homolog of human CXCL10." . "This is the mouse homolog of human CXCL11." . "This is the mouse homolog of human ." . "CCL9 is a CC family chemokine found in rodents, but with no human homolog." . "CCL12 is a CC family chemokine found in mouse, but with no human homolog. It is orthologous to human ." . "This is the rat homolog of human ." . "This is the mouse homolog of human ." . "Teriparatide is a synthetic peptide of amino acids 1-34 of the N-terminal of human parathyroid hormone (). The PubChem and ChEMBL entries linked to above both display a chemical structure for teriparatide. Compare this to the clinical candidate peptide which is a synthetic analogue of human parathyroid hormone-related protein () .

Teriparatide biosimilars and non-originator biologicals are available in countries where patents have already expired. The patents on the reference agent Forteo/Forsteo expire in the US and in Europe in August 2019. The table below lists teriparatide biosimilars that are already approved or are in development.

Product nameCompanyClinical phaseReference
teriparatide similar biologicIntas PharmaceuticalsApproved (India 2010)
teriparatide similar biologicCadila Healthcare Approved (India 2012)
teriparatide similar biologicUSVApproved (India 2012)
TerrosaGedeon RichterApproved (EMA 2017)
MovymiaSTADA Arzneimittel AGApproved (EMA 2017)
Bonsity (PF708)PfenexApproved (FDA 2019)
" . "Synthesised N-terminal fragment of rat PTH" . "One of the two enantiomers of adrenaline found in the INN-assigned preparation (racepinefrine)." . "Thrombin is a serine protease that acts as an agonist at the protease-activated GPCR family. Active thrombin is a complex between thrombin light chain and thrombin heavy chain. The chains are linked by a disulphide bond between cysteine residues at position 9 of the light chain and 118 of the heavy chain." . "Active mouse thrombin is a complex between thrombin light chain and thrombin heavy chain. The chains are linked by a disulphide bond between cysteine residues at position 9 of the light chain and 155 of the heavy chain." . "Active rat thrombin is a complex between thrombin light chain and thrombin heavy chain. The chains are linked by a disulphide bond between cysteine residues at position 8 of the light chain and 199 of the heavy chain" . "Filorexant is a dual orexin receptor antagonist (DORA) . The compound was being developed by Merck Sharp & Dohme Corp. as a potential treatment for insomnia." . "This is the mouse homolog of human ." . "This is the mouse homolog of human ." . "This is the rat homolog of human ." . "This is the mouse homolog of human CXCL12." . "This is the mouse homolog of human ." . "This is the rat homolog of human ." . "This is the mouse homolog of human ." . "This is the rat homologue of human CX3CL1 (fractalkine). It is the endogenous ligand for CX3CR1, which mediates both leukocyte migration and adhesion ." . "Activated by thrombin to become activated protein C" . "Activated by thrombin to become activated protein C" . "Activated by thrombin to become activated protein C" . "The approved drug isradipine is a racemic mixture of (+)-isradipine and (-)-isradipine. We show the non-stereo molecule to represent the mixture." . "PubChem CID 892 shows the non-chiral inositol structure" . "This ligand is represented on ChEMBL by CHEMBL574431." . "Sodium bicarbonate is an amphoteric buffering agent, with the ability to neutralise acids and bases." . "NBMPR is a equilibrative nucleoside transporter 1 (ENT1) inhibitor. Alternative isomeric structures are reported including the (2R,3S,4R,5R) form that has PubChem CID 65407. NBMPR is chemically distinct from and crystallisation and mutagenesis studies show that these two inhibitors utilise different binding mechanisms at ENT1 . The crystal structure of ENT1 in complex with NBMPR is deposited in the Protein Data Bank under accession code 6OB6 .." . "Dichloroacetate (DCA) is an orally available small molecule pyruvate dehydrogenase kinase inhibitor . It acts as a metabolic regulator and has anti-cancer potential by promoting glucose oxidation over glycolysis, glycolysis being the metabolic pathway (Warburg effect) utilised by most cancer cells to resist apoptosis and gain proliferative advantage .
ChEMBL represents this compound without the charge (see link above)." . "In its acid form, this compound is found in ant venom." . "Choline is a component of several INN-assigned drugs" . "The chemical structure shown here, and in the table links above, represent paraquat dichloride. The parent molecule has PubChem CID 15939." . "One of the Ansamycin group of antibacterials. Rifamycin is a natural antibacterial that is produced by Streptomyces mediterranei that exhibits antibacterial and antitubercular properties. Rifamycins are particularly effective against mycobacteria, and are most commonly used to treat tuberculosis, leprosy, and mycobacterium avium complex (MAC) infections." . "There is some ambiguity as to the exact structure of this ligand. The structure we show here matches that in the PubChem entry linked to above. Other common representations include CID 24832074 and CID 6321418." . "Org 24598 is a potent and selective inhibitor of the glial glycine transporter GlyT1b . It is active in vivo." . "Marketed formulations may contain canagliflozin in a hemihydrate form (PubChem CID 24997615)." . "Dapagliflozin is a derivative of naturally occurring dihydrocholine glucoside. It acts as a sodium-glucose cotransporter 2 (SGLT-2) inhibitor. In addition to clinical efficacy in type 2 diabetes. Evidence from clinical trial suggests that dapagliflozin is of benefit in treating heart failure with or without type 2 diabetes as a comorbidity .

SARS-CoV-2 and COVID-19: Based on the cardio- and renoprotective benefits of dapagliflozin in T2DM patients, it was evaluated vs. placebo in 1250 hospitalised COVID-19 patients (NCT04350593) , to determine if it would provide similar protection from organ damage caused by SARS-CoV-2 infection. The drug treatment effected a non-significant reduction in the risk of organ failure or death of one-fifth . Subsequent to this finding, another approved SGLT2 inhibitor was added to the RECOVERY trial." . "Please note that the structure to which the CAS number is assigned does not specify stereochemistry." . "UCPH101 is a negative allosteric modulator of solute carrier 1 (SLC1) family transporter EAAT1 (SLC1A3) , with utility as a pharmacological tool. The X-ray crystal structure of the ligand-bound transporter is published in ." . "The approved drug was called dexfenfluramine, but was withdrawn from use due to adverse cardiac events ." . "This compound is a selective non-transportable GlyT1 inhibitor ." . "Approved as a nutraceutical by the FDA as thiamine hydrochloride in 1972, no prior history available." . "From Amanita phalloides (Death cap)" . "The structure shown above is representative of this class of compounds. For more details see the entry in ChEBI linked to above." . "PubChem CID 892 shows the non-chiral inositol structure" . "PubChem CID 892 shows the non-chiral inositol structure" . "PubChem CID 892 shows the non-chiral inositol structure" . "Amino acid homologue of proline found in plants" . "This is the anion of the approved anti-inflammatory drug mesalazine (also known by the United States adopted name (USAN) mesalamine). Clinical information is curated on the ligand page." . "Orotic acid has been assigned an INN in its own right and is also a component of the INN-assigned compound orazamide." . "A pyridine alkaloid found in the Areca nut." . "Digoxin is a cardiac glycoside similar to ." . "The approved form of this compound is sodium oxybate. γ-hydroxybutyric acid (GHB) is an active metabolite of sodium oxybate." . "This compound is a potent and selective GlyT1 inhibitor ." . "Valcyte® contains valganciclovir hydrochloride (PubChem CID 110632). This is a prodrug of ganciclovir (PubChem CID 3454). The INN document for this drug specifies that there is a chiral centre at (position t8) and the INN-assigned compound consists of two epimers depending on the stereochemistry at this position. The structure shown here does not specify stereochemistry at this point and represents the mixture. This is represented by the '?' in the InChI standard identifier on the 'Structure' tab." . "Dilazep is a equilibrative nucleoside transporter 1 (ENT1) inhibitor. The crystal structure of human ENT1 in complex with dilazep is deposited in the Protein Data Bank under accession code 6OB7 ." . "A toxin from the death cap (Amanita phalloides). There is some ambiguity in the literature and online as to the exact stereochemistry of phalloidin, therefore we have chosen not to specify stereochemistry in our structure. For a representation of the structure of phalloidin showing stereochemistry please see the entry on ChEBI." . "Naringin is the foremost flavonoid in grapefruit and is reported to have a deleterious effect on intestinal drug absorption by inhibiting the transport protein OATP1A2 ." . "Sildenafil is a phosphodiesterase type 5 (PDE5) inhibitor.
Marketed formulations may contain ildenafil citrate (PubChem CID 62853)." . "This radionuclide labelled compound is used in SPECT (single photon emission computed tomography) scans. Iodine-123 emits gamma radiation." . "Tauroursodeoxycholic acid (TUDCA) is a conjugated bile acid derivative. Evidence suggests that it acts as a chemical chaperone and facilitates protein folding within the endoplasmic reticulum ." . "A component of the approved drug estropipate (a salt of estrone sulfate and piperazine)." . "Empagliflozin is a member of the 'gliflozin' class of drugs which inhibit reabsorption of glucose in the kidney to lower blood sugar.
It is the first glucose-lowering, antidiabetes therapy to be granted approval to reduce the risk of cardiovascular (CV) death in type 2 diabetes patients with CV disease.

SARS-CoV-2 and COVID-19: Empagliflozin was added to the RECOVERY trial (NCT04381936) in July 2021, to determine if using empagliflozin to correct metabolic dysregulation caused by SARS-CoV-2 infection can protect against organ damage and improve recovery in COVID-19 patients. This was predicated by results of a study exploring -mediated organ protection, which found that the drug elicited a non-significant reduction in the risk of organ failure or death in COVID-19 patients ." . "Found in the bark of several types of fruit tree. Within the body, phlorizin (which also occurs naturally) is converted into phloretin by hydrolytic enzymes." . "The structure of the ligand is not specified in the available literature. Our ligand page for shows the structure of the un-labelled analogue." . "The location of the radiolballed hydrogen atom is not specified in the available literature and is therefore not represented in the image of the structure." . "The structure of this compound is not specified in the available literature." . "Analogue of ." . "The structure of this compound is not specified in the available literature." . "Marketed formulations contain metformin hydrochloride (PubChem CID 14219). Metformin is often given in fixed-dose combinations with other antihyperglycemic agents.

Repurposing: Cancer cells undergo a metabolic switch to aerobic glycolysis, and become reliant on this metabolic pathway for energy (the Warburg effect). Inhibition of the glycolytic pathway is therefore considered as a tractable therapeutic target in oncology. As metformin is an inhibitor of glycolysis it is being examined for anti-cancer effects in a number of malignancies. Similarly, it is being examined for anti-inflammatory potential since activated immune cells also undergo a metabolic switch to aerobic glycolysis. If found to be effective, this could ultimately lead to metformin being repurposed for indications other than type 2 diabetes." . "Used as a nutritional supplement to treat vitamin C deficiency (scurvy) and to help promote wound and bone healing." . "Heterodimeric endogenous peptide ligand comprising subunits inhibin βA and inhibin βB. Interacts with type I and II activin receptors." . "Homodimeric endogenous peptide consisting of two subunit chains of inhibin βB. Interacts with activin type I and II receptors." . "Guanidine is the functional group on the side chain of arginine (). It is a normal product of protein metabolism and is excreted by the kidney." . "Approved as aminolevulinic acid" . "This compound is sold as a nutritional supplement in the US and Canada and is approved as a prescription drug in some EU countries (approval date not available), where it is used to treat depression, liver disorders, fibromyalia and osteoarthritis." . "Biotin is a water-soluble B-complex vitamin and is an essential co-factor in various metabolic chemical conversions involving biologic carboxylations and the transfer of carbon dioxide. Biotin is critical for cell growth, fatty acid production and fat and amino acid metabolism. Biotin is used as a nutritional supplement, and to correct dietary shortage or imbalance." . "Fluoroacil is the active metabolite of the prodrugs and ." . "Paroxetine is a selective serotonin-reuptake inhibitor (SSRI) antidepressant. An X-ray structure of crystals of paroxetine bound SERT, shows a single central binding site (see PDB entry 5I6X).." . "Tyrosine is precursor to noradenaline." . "Nomifensine is a norepinephrine-dopamine reuptake inhibitor. Bioactivity is reported to lie with the (S) isomer." . "Gemcitabine is a nucleoside analogue chemotherapeutic. Chemically, the hydrogen atoms on the 2' carbon of deoxycytidine are replaced by fluorine atoms." . "The approved drug ketoprofen is a mixture of two stereoisomers; an (R)-enantiomer (see PubChem CID 180540), and an (S)-enantiomer (see PubChem CID 667550), with only the (S)-enantiomer possessing biological activity. The structure shown here does not specify stereochemistry and represents the mixture of isomers." . "The active peptide is a disulphide bond-linked homodimer" . "The active peptide is a disulphide bond-linked homodimer" . "Penicillin G (benzylpenicillin) is a narrow spectrum penicillin antibacterial.
Penicillin G is is one of the access group antibacterials on the World Health Organization's Model List of Essential Medicines (link provided in the Classification table under the Summary tab)." . "Mazindol is a tetracyclic chemical, with anorectic, appetite suppressing action. Pharmacologically it acts as a sympathomimetic amine (like )." . "Marketed formulations may contain sertraline hydrochloride (PubChem CID 63009)." . "Cladribine is a purine (adenosine) analogue and an antineoplastic and immunosuppressant agent" . "Pyrimethamine is an antifolate compound with broad-spectrum antiprotozoal activity. It is used in the treatment and prevention of malaria as part of a combination therapy.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Floxuridine is metabolized to when given by rapid injection, but is converted to floxuridine monophosphate when given as continuous infusion. 5-fluorouracil is considered the active drug." . "Fludarabine is a chemotherapy drug used to treat blood cancers." . "Methamphetamine refers to the racemic free base mixture of the dextromethamphetamine (PubChem CID 10836) and levomethamphetamine (PubChem CID 36604) stereo-isomers. We show the structure without specified stereochemistry to represent the mixture. Methamphetamine use as a sympathomimetic has been largely replaced by safer substitutes with comparable clinical efficacy, but reduced propensity for serious side-effects and illicit recreational use. The production, distribution, sale, and possession of methamphetamine is restricted or illegal in many jurisdictions." . "Amphetamine is a central nervous system stimulant and an appetite suppressant.
Amphetamine can activate carbonic anhydrases, and is most potent at the CA5A and CA7 isoforms (KA values 810 and 910 nM respectively) ." . "The BMP-15 gene is X-linked and expressed in oocytes. BMP-15 protein appears to be involved in early ovarian folliculogenesis , acting in synergy with . BMP-15 is a selective modulator of FSH action . The active peptide is a disulphide bond-linked homodimer." . "Pentostatin is a purine (adenosine) analogue, antimetabolite chemotherapeutic anticancer drug." . "Vidarabine is an antiviral drug. It is chemically related to ." . "Dipyridamole is a phosphodiesterase (PDE) inhibitor." . "Reboxetine is a norepinephrine reuptake inhibitor (NRI) antidepressant. It is ~20-fold selective for the norepinephrine transporter over the serotonin transporter, so at therapeutic doses some inhibition of serotonin uptake is observed." . "Aminohippuric acid is an amide derivative of the amino acid glycine, not naturally found in humans." . "This drug is an analog of penicillanic acid." . "Procainamide is a class Ia antiarrhythmic drug." . "Aliskiren is the first in class renin inhibitor. The Tekturna trade name refers to the hemi-fumarate: (PubChem CID 6918427). Ligand structure in PDB (see link)" . "Saquinavir is an antiretroviral drug." . "Methotrexate is a folate (folic acid) analogue that is classified as an antimetabolite and antifolate drug, and a disease-modifying anti-rheumatic drug (DMARD). It is used clinically for its antiproliferative and anti-inflammatory effects. The primary action of methotrexate is inhibition of the enzyme dihydrofolate reductase (DHFR). DHFR is essential for the production of precursors that are required for de novo purine synthesis." . "Folinic acid is the biologically active form of folic acid (also known as the (-)-l-isomer, citrovorum factor or (-)-folinic acid). The approved drug is called leucovorin." . "The active peptide is a disulphide bond-linked homodimer" . "Tiagabine is classified as a GABA reuptake inhibitor (GRI) as it blocks the GABA transporter 1 (GAT-1; gene symbol SLC6A1)." . "Fexofenadine is a metabolite of . Fexofenadine is an antihistamine (histamine H1 receptor antagonist), non-sedating antiallergic agent. The approved drug is a racemic mixture of two enatiomers (CID 9870655) and (CID 6603853). The structure shown here does not specify stereochemistry and represents the mixture." . "Fenoprofen isa nonsteroidal anti-inflammatory drug, which is pharmacologically similar to aspirin, with similar anti-inflammatory analgesic and antipyretic actions." . "The approved drug vigabatrin is a mixture to two stereoisomers: an R(-)- form (see PubChem CID 157018) and an S(+)-form (see PubChem CID 10219440). Only the S(+)-form is pharmacologically active. The structure shown here does not specify stereochemistry and represents the mixture." . "Reserpine irreversibly blocks the vesicular monoamine transporter (VMAT; gene symbols SLC18A1 and SLC18A2), to bring about depletion of monoamine neurotransmitters at synapses." . "Valacyclovir s an esterified prodrug, which is converted to in vivo. Esterification increases the oral bioavailability of the prodrug compared to the parent molecule." . "Zidovudine (AZT) is a nucleoside analogue reverse-transcriptase inhibitor (NRTI) class antiretroviral drug. It was the first antiretroviral for HIV to be approved by the US FDA, and it is now listed in the World Health Organization's List of Essential Medicines. Click here to access the pdf version of the WHO's 21st Essential Medicines list (2019)." . "Ouabain is a plant derived toxin. It is classified as a cardiac glycoside drug, although due to its high level of toxicity it is generally only used experimentally." . "Cytarabine is an antimetabolite antineoplastic agent that inhibits the synthesis of DNA." . "The active peptide is a disulphide bond-linked homodimer" . "The active peptide is a disulphide bond-linked homodimer" . "zalcitabine is a nucleoside analog reverse transcriptase inhibitor (NRTI) antiretroviral drug. Chemically it is an is an analogue of pyrimidine and is a derivative of endogenous deoxycytidine." . "Aciclovir is a nucleoside analogue antiviral drug.
Aciclovir is on the World Health Organisation's List of Essential Medicines. Click here to access the pdf version of the WHO's 21st Essential Medicines list (2019)." . "Cefradine is a cephalosporin antibacterial." . "Cefadroxil is a cephalosporin antibacterial. Like penicillin it is a β-lactam compound." . "Cephalexin is a cephalosporin antibacterial." . "Didanosine is an antiretroviral drug." . "Furosemide is a loop diuretic drug." . "Tetrabenazine is an inhibitor of the vesicular monoamine transporter type 2 (VMAT2; SLC18A2). Tetrabenazine was the first dopamine-depleting drug approved in the US for the treatment of Huntington's disease. The potential for using dopamine-depleters to manage hyperkinetic movement disorders is reviewed in . Since the approval of tetrabenazine, the deuterated analogue has been a granted marketing authorisation by the FDA (April 2107), and is in clinical trial for tardive dyskinesia and Tourette syndrome" . "Chlorothiazide is a thiazide diuretic, similar to hydrochlorothiazide." . "Hydrochlorothiazide is the prototypical thiazide diuretic drug." . "Bumetanide is a loop diuretic drug. It inhibits NKCC1 (SLC12A2) tranporters in the brain and kidney-specific NKCC2 (SLC12A1) transporters in the thick ascending limb of Henle's loop. The latter action modulates water and electrolyte homeostasis and is reponsible for the drug's diuretic effects." . "Metolazone is a quinazoline thiazide-like and sulfonamide diuretic." . "Homodimeric endogenous peptide ligand consisting of two subunits chains of inhibin βA. Interacts with activin type I and II receptors." . "The active peptide is a disulphide bond-linked homodimer" . "Sulfasalazine is sulfa drug derivative of , classified as a disease-modifying antirheumatic drug (DMARD).
Sulfasalazine is on the World Health Organisation's List of Essential Medicines. Click here to access the pdf version of the WHO's 21st Essential Medicines list (2019)." . "Marketed formulations may contain miglustat hydrochloride (PubChem CID 71299591)." . "Miglitol is an iminosugar type drug which inhibits alpha-glucosidase as a mechanism to improve glycemic control in type II diabetics." . "Radiolabelled form of E. coli heat-stable enterotoxin. The exact amino acid sequence of this peptide is not specifed in the literature" . "An antiparallel dimer" . "Representations of the structure of this ligand vary slightly across other resources from the structure shown here. They include CHEMBL1077291 and CID 11580208." . "Adalimumab is an anti-TNFα monoclonal antibody with immunosuppresive activity . It was the first fully human monoclonal antibody drug approved by the FDA.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record.

X-ray structures of the apo and TNFα-bound Fab fragment of adalimumab have been deposited to the RCSB Protein Data Bank (IDs 4NYL and 3WD5 respectively).

Biosimilars:
NameTrade nameCompanyClinical PhaseIndicationsReferences
adalimumab-atto; ABP 501 Amjevita; AmgevitaAmgenApproved (2016 FDA, 2017 EMA)As per reference agent
adalimumab-adbm; BI 695501CyltezoBoehringer IngelheimApproved (2017 FDA and EMA)As per reference agent 
ZRC-3197ExemptiaCadila HealthcareApproved (2015 India)Rheumatoid arthritis
adalimumab-bwwd; SB5HadlimaSamsung BioepisApproved (2019 FDA)As per originator reference agent 
MSB11022Idacio; KromeyaFresenius KabiApproved (2019 EMA)As per originator reference agent
BCD-057 BiocadPh 3 (NCT02762955)Plaque psoriasis 
adalimumab-adaz; GP2017Hyrimoz; Hefiya; HalimatozSandozApproved (2018 EMA and FDA)As per originator reference agent
M923 Momenta PharmaceuticalsPh 3 (NCT02581345)Plaque psoriasis, rheumatoid arthritis  
adalimumab-fkjp; MYL-1401A; FKB327HulioMylan, Fujifilm Kyowa Kirin BiologicsApproved (2018 EMA, 2020 FDA)As per originator reference agent
adalimumab-afzb; PF-06410293Abrilada; AmsparityPfizerApproved (2019 FDA, 2020 EMA)As per originator reference agent
adalimumab; CT-P17YuflymaCelltrion Healthcare Hungary KftApproved (EMA 2021)As per originator reference agent
adalimumab-aqvh; CHS-1420Yusimry Coherus BioSciencesApproved (FDA 2021)As per originator reference agent
IBI303 Innovent BiologicsPh 3 (NCT02893254)Active ankylosing spondylitis
AVT02Hukyndra; LibmyrisAlvotech/DKSH/Stada ArzneimittelApproved (EMA 2021)As per originator reference agent
" . "Potent, selective human type I IL-1 receptor antagonist" . "Tyrphostin AG 1478 is a selective inhibitor of the EGFR tyrosine kinase. It is compound 4 in ." . "Amphiregulin is an epidermal growth factor family member that is involved in tissue repair." . "We give the sequence for the 42 amino acid peptide here, but note that use of the name β-amyloid generally refers to the ensemble of peptides of 40 to 43 residues excised from the precursor APP protein by the combined action of β- and γ-secretases. These peptides may be soluble monomers or oligomers and contribute to the formation of fibrils and plaques that are associated with Alzheimer's disease.

The amino acid sequences of alternative forms are;
1-40 DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV
1-42 DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
1-43 DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIAT

So far we have annotated three types of target relationships for β-amyloid:
1) antibodies directed against the peptide forms for depletion
2) aggregation antagonists
3) imaging reagents for detection" . "Biologically active artemin is a disulphide-linked homodimer" . "The active peptide is a disulphide bond-linked homodimer" . "The active peptide is a disulphide bond-linked homodimer" . "The active peptide is a disulphide bond-linked homodimer" . "The active peptide is a disulphide bond-linked homodimer. May signal through BMPR1A, BMPR1B, BMPR2 and ActR2 ." . "The active peptide is a disulphide bond-linked homodimer" . "The active peptide is a disulphide bond-linked homodimer" . "The active peptide is a disulphide bond-linked homodimer" . "The active peptide is a disulphide bond-linked homodimer" . "Nesiritide is the recombinant form of human brain natriuretic peptide." . "Choriomammotropin occurs in monomeric and dimeric forms" . "CLCF1 is an IL-6 family cytokine." . "CNP is a a positive regulator of endochondral bone growth, and prevents dwarfism in mouse models of achondroplasia ." . "CNTF is an IL-6 family cytokine." . "Foms a triple helix structure with two other collagen chains " . "Foms a triple helix structure with two other collagen chains " . "Foms a triple helix structure with two other collagen chains" . "Foms a triple helix structure with two other collagen chains " . "Ephrin B2 is a cell surface transmembrane ligand for Eph receptors (receptor tyrosine kinases, including EPHA4, EPHA3 and EPHB4). EFNB2 and EFNB3 are exploited for infection by the zoonotic henipaviruses, Nipah virus (NiV) and Hendra virus (HeV) . These viruses emerged from bats during the 1990s and have since caused a number of deadly outbreaks in humans and domesticated animals. NiV and HeV infections in humans cause both neurological and respiratory symptoms. The WHO considers NiV as an emergong pathogen, with potential to cause infection of epidemic proportion. NiV has high mortality and morbidity rates and there is no effective anti-viral therapy." . "Critzotinib is a Type-1 kinase inhibitor and was first approved by the FDA in 2011. It inhibits ALK, cMET and ROS1 receptor tyrosine kinases. Critzotinib is a chiral molecule that exploits the three-dimensional space of the ATP pocket to achieve optimal potency and selectivity . The R-enantiomer as shown here exhibits better potency than the either the racemate or S-isomer and the approved drug should contain only the R-enantiomer.
Pfizer developed the 3rd generation ALK inhibitor as a follow-up to critzotinib, and this new drug has been reported to outperfom its predecessor in lung cancer." . "M-CSF (CSF1) controls survival and differentiation of macrophages via activation of the CSF1 receptor (a receptor tyrosine kinase). The biologically active peptide is a homodimer or a heterodimer.
Pharmacological modulators of the CSF1/CSF1R axis, targeting tumour-associated macrophage (TAM) survival, are being developed for various solid tumour and hematological oncology indications as well as for autoimmune diseases." . "CT-1 is an IL-6 family cytokine." . "Dorsomorphin is a potent, reversible, selective AMP-activated protein kinase (AMPK) inhibitor . It is an ATP-competitive inhibitor of the catalytic α subunit of the heterotrimeric enzyme." . "From the ephrin A family of glycosylphosphatidylinositol-linked proteins. Momomer and homodimer" . "From the ephrin A family of glycosylphosphatidylinositol-linked proteins" . "From the ephrin A family of glycosylphosphatidylinositol-linked proteins" . "From the ephrin A family of glycosylphosphatidylinositol-linked proteins" . "From the ephrin A family of glycosylphosphatidylinositol-linked proteins" . "From the ephrin B family. A single TM protein" . "Ephrin B3 is a cell surface transmembrane ligand for Eph receptors (receptor tyrosine kinases, including EPHA4, EPHA3 and EPHB4). EFNB2 and EFNB3 are exploited for infection by the zoonotic henipaviruses, Nipah virus (NiV) and Hendra virus (HeV) . These viruses emerged from bats during the 1990s and have since caused a number of deadly outbreaks in humans and domesticated animals. NiV and HeV infections in humans cause both neurological and respiratory symptoms. The WHO considers NiV as an emergong pathogen, with potential to cause infection of epidemic proportion. NiV has high mortality and morbidity rates and there is no effective anti-viral therapy." . "Eritoran is a synthetic analogue of lipid A, the bacterial LPS component. It is referred to as a Toll-like receptor 4 (TLR4) antagonist, but rather than direct interaction, eritoran binds to MD-2 and prevents formation of the MD-2.TLR4 protein complex. Thus, eritoran appears to antagonise LPS-induced TLR4 activation.
Eritoran has been investigated as a therapeutic for the management of sepsis, but failed to show sufficient clinical effect ." . "Erlotinib is a clinically approved type-1 inhibitor of the epidermal growth factor receptor (EGFR) receptor tyrosine kinase. This drug shows some selectivity for EGFR exon 19 deletion or exon 21 L858R mutations over the wild type receptor.
Subsequent studies have shown erlotinib to be a potent inhibitor of JAK2V617F activity. JAK2V617F, a mutant from of tyrosine kinase JAK2, is found in most patients with polycythemia vera (PV) and a substantial proportion of patients with idiopathic myelofibrosis or essential thrombocythemia. Study suggests that erlotinib may be used for treatment of JAK2V617F-positive PV and other myeloproliferative disorders. Specificity of inhibition with regard to other tyrosine kinase receptors remains to be fully characterized. Erlotinib is a Type-1 kinase inhibitor." . "Recombinant forms of human erythropoietin (epoetins), are contained in various approved drugs with INNs that reflect the different glycoform structures formed by different manufacturing processes. The table below provides details of the epoetin alpha originator drug and biosimilars that are currently approved for use by the US FDA and/or the European Medicines Agency (EMA).

Epoetin alpha and biosimilar drugs.

INNTrade names (authorisation holder)First FDA approvalFirst EMA approval
epoetin alfaBinocrit (Sandoz), Abseamed (Medice Arzneimittel Pütter), Epogen (Amgen), Procrit (Janssen)19892007
epoetin betaNeoRecormon, Recormon (both Roche)n/a1997
epoetin zeta (a.k.a. epoetin alfa-epbx)Silapo (Stada Arzneimitte), Retacrit (Hospira)20182007
epoetin thetaBiopoin (Teva), Eporatio (Ratiopharm)n/a2009
" . "Monomer and homodimer" . "Monomer and homodimer" . "The structure of flagellin varies between bacterial species" . "Lenograstim is a recombinant form of glycosylated granulocyte colony-stimulating factor, with exactly the same sequence and function as the endogenous peptide." . "GAS6 is the sole ligand for AXL receptor tytrosine kinase. Because of AXL's roles in cancer, fibrosis and viral infection, GAS6 has emerged as an attractive target for drug development." . "The active peptide is a disulphide bond-linked homodimer" . "The active peptide is a disulphide bond-linked homodimer" . "The active peptide is a disulphide bond-linked homodimer" . "The active peptide is a disulphide bond-linked homodimer" . "Biologically active GDNF is a disulphide-linked homodimer" . "Gefitinib is an orally active Type-1 kinase inhibitor and was first approved by the US FDA in 2003. Gefitinib has selectivity for the EGFR ." . "GM-CSF as a target in inflammatory/autoimmune disease was reviewed by Hamilton (2015) .

COVID-19: In March 2021, results of the analysis of the inflammatory cytokine/chemokine profiles from COVID-19 patients (spanning the spectrum from mild to fatal disease) and archival samples from patients with severe influenza, identified elevated GM-CSF as a principal marker of severe COVID-19 immunopathology. Both IL-6 and GM-CSF elevations were detected as potent drivers of COVID-19 pathogenesis (associated with disease severity and coinciding with elevated markers of endothelial injury and thrombosis), GM-CSF distinguished COVID-19 from fatal influenza . The findings from this study supports continued targeting of GM-CSF as a therapy for patients with severe COVID-19. Investigational anti-GM-CSF monoclonals that were repositioned for COVID-19 and entered into clinical trials in COVID-19 positive patients include , , and ." . "Human growth hormone 1 (somatropin) produced by recombinant technology is an approved drug with the INN somatropin. This has identical 191-amino acid sequence to the endogenous hormone.

Biosimilar drug: The EMA approved the biosimilar named Omnitrope (Sandoz GmbH) in 2006." . "The active peptide is a heterodimer comprising an alpha chain and a beta chain linked by a disulphide bond" . "HS-142-1, a novel nonpeptide (polysaccharide) atrial natriuretic peptide (ANP) antagonist which specifically inhibits natriuretic peptide-induced vasorelaxation through the blockade of guanylyl cyclase-linked natriuretic peptide receptors . It was purified from the fermentation broth of Aureobasidium pullulans var. melanigenum . The compound consists of glucose and caproyl subunits. Hexaosyl fragment O-(3-O-caproyl-beta-D-glucopyranosyl)-(1-->6)-[O-(beta-D- glucopyranosyl)-(1-->6)-O-(3-O-caproyl-beta-D-glucopyranosyl)-(1--> 6)]2-D-glucopyranose, is among the major components of the molecule and ithis has been used as the basis for synthesising synthetic analogues of the polysaccharide." . "HSP60 is a mitochondrial chaperone that is upregulated by immune activation. It is a highly conserved protein, which acts as a major immune modulator in the control of the innate and adaptive immune systems in mammals ." . "A disaccharide polymer. The structure shown here represents one of the subunits" . "Interferon-αs are type I IFNs (includes IFNαs, IFN-β, IFN-ε, IFN-κ and IFN-ω). In humans, there are 13 different IFN-α genes , but only 12 functional human IFN-α proteins, since IFN-α1 and IFN-α13 have identical protein sequences despite being encoded by separate genes." . "IFN-α10 is a type I IFN." . "IFN-α14 is a type I IFN." . "IFN-α16 is a type I IFN." . "IFN-α17 is a type I IFN." . "IFN-α2 is a type I IFN. The sequence of the recombinant peptide used clinically and known as interferon alfa-2a, is identical to that of human IFN-α2. Interferon α-2a has anti-viral, immunomodulatory and antineoplastic actions.
Pegylated IFN-α-2a is on the World Health Organization's List of Essential Medicines." . "The B chain is 30 amino acids long, and relates to amino acids 25-54 of the pro-peptide sequence (P01308)." . "IFN-α21 is a type I IFN." . "IFN-α4 is a type I IFN." . "IFN-α5 is a type I IFN." . "IFN-α6 is a type I IFN." . "IFN-α7 is a type I IFN." . "IFN-α8 is a type I IFN." . "IFN-β is a type I IFN. The peptide sequence of the clinically used recombinant protein IFN-beta-1a is identical to that of the endogenous peptide." . "IFN-λ2 is a type III IFN." . "IFN-γ is a type II interferon. It is biologically active as a homodimer." . "IFN-κ is a type I IFN." . "IFN-ω is a type I IFN. In humans, only one functional form has been characterised; however, several pseudogenes are described." . "The recombinant form of human IGF-1 is an approved drug, mecasermin." . "IL-1α is an IL-1 family cytokine." . "IFN-λ3 is a type III IFN." . "IL-1β is an IL-1 family cytokine produced from the IL1B gene. It is produced by activated macrophages as a proprotein which is cleaved by cytosolic caspase 1 to the mature, active molecule." . "Biologically active IL-10 is a homodimer. It is an anti-inflammatory cytokine." . "IL-11 is a member of the IL-6-type cytokine family. The recombinant form of human IL-11 is an approved drug with INN oprelvekin." . "This is the signature member of the IL-12 family of cytokines. Structurally it is a heterodimer consisting of (p35) and (p40) subunits. An interchain disulphide bond between cysteine residue 74 in the IL-12A chain and 177 in the IL-12B chain link the heterodimer. and share homology with IL-12 at the subunit, receptor, and signalling levels, but each performs specific roles in the regulation of immune responses to infection, inflammation and also in the pathophysiology of autoimmune disorders ." . "IL-23 is an IL-12 family cytokine. Structurally it is a heterodimer consisting of IL-12B and IL-23A subunits." . "IL-13 shares sequence and structural homology with ." . "The IFN-λs are type III IFNs." . "IL-15 and IL-2 are cytokines that share common biological effects, but also exhibit distinct, and sometimes competing, functions .
Nektar Therapeutics is developing a long-acting polymer-engineered (e.g. PEGylated) IL-15 conjugate, code named NKTR-255 (structure not disclosed), as a potential immuno-oncology agent- see their patent US20170035898 . The conjugate has been optimised for binding to the IL-15Rα subunit and improved plasma and tumour exposure compared to native IL-15. This agent is in preclinical evaluation (August 2017).
Calypso Biotech have an anti-IL-15 monoclonal antibody named CALY-002 in their development pipeline. CALY-002 has potential for the treatment of refractory celiac disease and other inflammatory conditions at mucosal interfaces within the gastro-intestinal tract (e.g. eosinophilic esophagitis) . The EMA granted CALY-002 orphan drug designation for the treatment of eosinophilic esophagitis in 2016 ." . "Forms homodimeric ligand IL-17A, or heterodimeric IL-17A/." . "IL-18 is an IL-1 family cytokine. It acts as a pleiotropic pro-inflammatory cytokine, and it is important for host innate and adaptive immune defense against pathogenic infections. Dysregulated IL-18 activity is associated with inflammatory and autoimmune diseases (e.g. rheumatoid arthritis, Crohn's disease, MS and lupus), allergies, and neurological disorders. IL-18 and its signalling partners are protein targets for anti-inflammatory drug development." . "IL-19 is an IL-10 related type II cytokine." . "IL-2 and IL-15 are cytokines that share common biological effects, but also exhibit distinct, and sometimes competing, functions . Recombinant IL-2 is used clinically with the generic name aldesleukin.
Abbas et al. (2018) have written a review of IL-2 biology and the progress that has been made in developing IL-2 therapeutics ." . "IL-3 and GM-CSF share certain functional similarities." . "IL-20 is an IL-10 related type II cytokine. The IL-20 pathway is a pharmacological target with potential therapeutic benefit for patients wth rheumatoid arthritis ." . "IL-21 acts via the IL-21 receptor expressed on the surface of T, B and NK cells." . "IL-22 is an IL-10 superfamily type II cytokine which plays a key role during inflammatory responses, and has potent neutrophil chemoattractant activity. It is regulated in part by IL-23. IL-22 has been demonstrated to play an important protective function in the gut where it promotes anti-microbial peptide expression. Via induction of intestinal epithelial stem cell proliferation, IL-22 is involved in gut barrier recovery after acute injury . Conversely, IL-22 has also been implicated as a driving factor in chronic gut pathologies ." . "IL-23 is a heterodimeric cytokine, sharing a common p40 subunit with IL-12, but having a unique p19 subunit (IL23A)." . "IL-24 is an IL-10 related type II cytokine." . "IL-31 is an IL-6 family cytokine." . "IL-4 shares sequence and structural homology with ." . "IL-5 is one of the hematopoietic family cytokines. Unlike other family members and , IL-5 is a homodimer, consisting of two identical amino acid chains linked by two disulphide bonds" . "IL-6 is an interleukin that acts as both a pro-inflammatory cytokine and an anti-inflammatory myokine. It is the originating member of a family of related cytokines that include , (OSM), leukemia inhibitory factor (), (CNTF), (CT-1), /B-cell stimulating factor 3 (NNT-1), neuropoietin (NPN), , and . IL-6 is produced by T and B cells, macrophages, dendritic cells, and non-immune cells such as fibroblasts, endothelial cells, glial cells, keratinocytes, and placental syncytio- and extravillous trophoblasts.
The receptors for these cytokines (except IL-31) share a common signal transducing subunit gp130 (IL6ST).
IL-6 is a critical regulator of the immune system and has been widely implicated in autoimmune disease, infection responses and in the regulation of metabolic, regenerative, and neural processes." . "IL-7 is produced primarily by stromal cells and exerts its effects via a receptor complex consisting of IL-7 receptor alpha (IL7R) and a common IL-2 receptor gamma subunit (IL2RG). IL-7 signaling is essential for the establishment and maintenance of normal immune system functions. IL-7 stimulates the proliferation, differentiation, trafficking and survival of a variety of T cell subsets, including naive, central memory (CM), effector memory (EM), terminally differentiated effector memory (TEMRA) and natural killer (NK) T cells." . "IL-9 is a pleiotropic cytokine. Th9 cells and/or the IL-9/IL-9 receptor pathway are potential targets for pharmacological intervention in atopic diseases such as asthma and ulcerative colitis." . "This is the alpha subunit of the active IL-12 hetreodimer." . "This is a subunit of bioactive ." . "Imiquimod is a TLR7 agonist acting as an immunomodulator." . "Infliximab is an anti-tumour necrosis factor (TNF)α, mouse-human chimeric monoclonal antibody. It binds both soluble and transmembrane forms of TNFα but not lymphotoxin α (TNFβ).
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record.
Peptide sequence analysis reveals this to be antibody cA2 in patent US5656272 .

Biosimilars:
NameTrade nameCompanyClinical PhaseIndicationsReferences
infliximab-dyyb; CT-P13Remsima; Inflectra; FlammegisCelltrion/PfizerApproved (2013 EMA, 2016 FDA)As per reference agent
infliximab-abda; SB2Flixabi; RenflexisMerck/SamsungBioepisApproved (2016 EMA, 2017 FDA)As per reference agent 
infliximab-qbtx; PF-06438179Ixifi; ZesslyPfizer?SandozApproved (2017 FDA, 2018 EMA)As per reference agent
NI-071 Nichi-Iko PharmaceuticalApproved (2017 Japan); Phase 3 US (NCT02990806)As per reference agent 
BCD-055 BiocadPh 3 (NCT02762838)Rheumatoid arthritis 
Infliximab-EPIRUS; BOW015InfimabEpirus BiopharmaceuticalsApproved (2014 India); Ph 3 US (NCT02683564)Rheumatoid arthritis 
infliximab-axxq; ABP710AvsolaAmgenApproved (2019 FDA)As per reference agent 
STI-002 MabTech/Sorrento Therapeutic   
Infliximab biosimilar 1 Nippon KayakuApproved (Japan 2014)As per reference agent
Two more biosimilars have been approved in Japan: Infliximab biosimilar 2 (Nichi-Iko Pharmaceutical/ Yakuhan Pharmaceutical; 2017) and Infliximab biosimilar 3 (Pfizer Japan; 2018), both indicatated as per reference agent ." . "Heterodimeric endogenous ligand comprising subunits inhibin α and βA." . "Heterodimeric endogenous peptide ligand comprising subunits inhibin α and inhibin βB." . "The biologically active peptide is a heterodimer of an A chain and a B chain linked by two disulphide bonds. The structure of approved drug insulin regular (which the link to DrugBank outlines) is identical to native human insulin.

While recombinant human insulin was approved by the FDA in 1982, insulin from pigs was used for several decades prior to this date.

Insulin drugs:
Many recombinant forms of human insulin have been approved for clinical use. They can be identical in sequence to human insulin or can be modified in ways which affect their speed of action. Insulin products can be categorised as rapid-, short-, intermediate- or long-acting. Long-acting insulin products, such as , insulin degludec and insulin detemir are primarily used to maintain a background level of insulin to control blood sugars between meals. These are administered once or twice a day. Short-acting products like insulin lispro are generally administered just before meals to help control blood sugar levels after eating." . "The A chain is 21 amino acids long, and relates to amino acids 90-110 of the pro-peptide sequence (P01308)" . "LIF is an IL-6 family cytokine." . "Linaclotide represents a first-in-class, oral guanylate cyclase 2C activator . It is a synthetic analogue of pathological heat-stable bacterial enterotoxins, and retains the same intrachain disulfide bond structure essential for biological activity.
Marketed formulations contain linaclotide acetate (PubChem CID 16158207). See also , the second approved GC-C activator." . "Lipopolysaccharides are complex molecules consisting of a core oligosaccharide, lipid A and O antigen (or O polysaccharide) joined by covalent bonds" . "Diaminopimelic acid (DAP) is an amino acid, representing an epsilon-carboxy derivative of lysine. DAP is characteristic of cell walls of some bacteria." . "The active peptide is a disulphide bond-linked homodimer." . "Muramyl dipeptide (MDP) is the minimal bioactive peptidoglycan motif common to all bacteria. It is a ligand for the NOD2 pattern recognition receptor ." . "Myostatin, is a type II activin receptor ACVR2B agonist. Myostatin-induced ACVR2B activation leads to SMAD pathway signalling.
Inhibition of Myostatin/ACVR2B signalling is a mechanistic target for the development of drugs to combat muscle wasting conditions. We list three clinical stage anti-myostatin monoclonal antibodies (mAbs) in the 'Biological activity' tab for this ligand. In addition to mAbs, alternative protein scaffolds are being investigated to produce anti-myostatin activity similar to mAbs but with simpler, single-domain structures and no disulfide bonds. One such example is talditercept alfa (RO7239361, BMS-986089), which is a fusion protein that derives myostatin-binding from a modified human fibronectin domain F10. Talditercept alfa has advanced to Phase 1/2 evaluation to reduce muscle atrophy in boys with Duchenne muscular dystrophy (NCT02515669). Talditercept alfa is an example of so-called 'Adnectin' protein therapeutics that are being developed as an alternative to antigen receptors (antibodies) ." . "A polynucleotide consisting of inosine and cytosine subunits. The structure represented here shows the two subunits" . "Recombinant NGF (cenegermin, also known as cenegermin-bkbj) is used clinically as a peripherally selective agonist of TrkA and LNGFR. Note that the recombinant peptide is two amino acids shorter than the endogenous peptide, with the carboxy-terminal RA (Arg-Ala) removed." . "Biologically active neurturin is a disulphide-linked homodimer" . "OSM is an IL-6 family cytokine." . "Becaplermin is the recombinant form of human PDGF BB." . "Peptidoglycan is a polymer of sugars and amino acids forming a crystal lattice structure" . "Biologically active persephin is a disulphide-linked homodimer" . "Annotated peptide sequences for this antibody are available in its IMGT/mAB-DB record." . "PQ401 inhibits phosphorylation of the insulin-like growth factor 1 receptor (IGF1R) kinase domain ." . "Resiquimod (R-848) is a more potent derivative of the imidazoquinoline compound . It acts as a TLR7 agonist." . "Competitive inhibitor of IL-2/IL-2Rα interaction" . "SCF is the endogenous ligand for c-KIT (KIT) receptor tyrosine kinase." . "Semaxanib was a precursor in the development of the next generation kinase inhibitor ultimately approved as ." . "SU11274 is a selective Met inhibitor ." . "TGFβ is a labile (half-life in vivo of 2-3 minutes) but highly potent cytokine. It plays a crucial role in immune regulation, and is highly fibriogenic.

The TGFβ1 gene encodes a proprotein that contains sequences for the latency-associated peptide (LAP) and the TGFβ peptide chains. Amino acids 1-29 form the signal peptide, 30-278 represent LAP and the C-terminal amino acids from 279-390 form TGFβ.

TGFβ is expressed at the cell surface (e.g. on Treg cells) as a highly glycosylated, furin-processed product in complex with the LAP protein. This complex does not have biological activity (so is a.k.a. latent TGFβ) and requires further processing to produce active TGFβ ." . "This is the endogenous ligand of the thrombopoietin receptor. It promotes proliferation of megakaryocytic cells, which leads to increased platelet production. Human TPO is not used therapeutically as it is associated with a risk of immunogenicity and the development of neutralizing anti-TPO antibodies . As a result of this outcome small molecule TPO receptor agonists have been developed to mimic the platelet-promoting action of native TPO." . "LTA (TNFβ) is a pro-inflammarory cytokine mediating a large variety of inflammatory, immunostimulatory, and antiviral responses. LTA is required during embryonic development of lymphoid organs." . "TRAIL is a cytokine of the tumor necrosis factor (TNF) ligand family. TRAIL binds to several TNF family receptors, activating MAPK8/JNK, caspase 8, and caspase 3. Its interaction with death receptors on tumor cells triggers apoptosis. Binding to decoy receptors may neutralise TRAIL activity. Because TRAIL exhibits much stronger apoptotic activity than other TNF family members, kills tumor cells more effectively than normal cells, and presents less risk of inducing an inflammatory repsonse following systemic administration, use of TRAIL as an anti-cancer therapeutic has been widely examined. Huang et al. (2017) describe the development and potent anti-tumor activity of a TRAIL fusion protein nanoparticle formulation in a xenograft model . To date, no pharmaceutical agents targeting TRAIL or its receptors in cancer have been approved." . "RANK ligand (TNFSF11) is a member of the tumor necrosis factor (TNF) cytokine family. It can exist in both membrane-bound and soluble forms. It is a key factor for osteoclast differentiation and activation. Osteoprotegerin acts as a decoy receptor for RANK ligand." . "TWEAK protein (TNFSF12) is a tumor necrosis factor (TNF) family cytokine that exists in both membrane-bound and secreted forms. It acts via interaction with the TWEAK receptor (encoded by the TNFRSF12A gene), and is a modulator of endothelial cell proliferation and migration, and is therefore an angiogenesis regulator." . "APRIL (also known as tumor necrosis factor ligand superfamily member 13; TNFSF13) is a protein of the TNF superfamily recognized by the cell surface catalytic receptor TACI and other TNF family receptors . Three APRIL isoforms have bee reported . We provide the amino acid sequence for the mature peptide chain (i.e. without the 104 amino acid propeptide leader sequence which is cleaved by furin convertase in the Golgi apparatus prior to secretion )." . "The TNFSF13B precursor is also cleaved into a soluble form of the ligand." . "LIGHT is a tumour necrosis factor superfamily protein that regulates T-cell-based inflammatory reactions, especially in mucosal membranes . It exists as a membrane-anchored protein and as a soluble form in the serum. LIGHT's biological activity is mediated via binding to TNF superfamily receptors: lymphotoxin β receptor (LTβR; TNFRSF3), herpes virus entry mediator (HVEM; TNFRSF14), and decoy receptor 3 (DcR3; TNFRSF6B)." . "TL1A occurs as both membrane‐bound and soluble forms. It principally functions as a negative modulator of epithelial cell proliferation. Inhibiting the TL1A/death receptor 3 (TNFRSF25) pathway has been proposed as mechanism to treat inflammatory bowel disease . In addition, TL1A has been associated with tumourigenesis and progression of some gastrointestinal malignancies , making it a target of interest for the development of novel anti-cancer drugs." . "TL6 (official name, tumor necrosis factor ligand superfamily member 18) is a cytokine belonging to the tumor necrosis factor (TNF) ligand family. It is thought to be involved in T cell interactions with endothelial cells, via binding to its receptor TNFRSF18 (a.k.a. AITR and GITR)." . "TNFα is a pro-inflammatory, acute phase cytokine involved in systemic inflammation.
The TNFSF2 precursor is also cleaved into a membrane-bound form of the ligand." . "TNFα is a pro-inflammatory, acute phase cytokine involved in systemic inflammation.
The TNF precursor is expressed as a membrane-bound ligand, which is cleaved by TACE/ADAM17 to form this shed (or 'soluble') bioactive cytokine containing just the extracellular domain, and that circulates predominantly as a homotrimer. Recombinant TNF is used as an immunostimulant under the INN tasonermin.

Circulating active TNF-α is the principal molecular target of the anti-TNF therapeutics and . A smaller and longer acting and orally deliverable anti-TNF biologic called V565 is in early stage clinical development . Considering alternative modes of administration, V565 is a heavy chain only variable domain anti-TNF nanobody generated in Ilama that is further modified to enhance resistance to protease-mediated degradation. It binds shed TNF-α with similar affinity to infliximab and adalimumab, and also inhibits biological responses mediated by membrane-bound TNF-α . If this design strategy proves successful, V565 will be the first orally active anti-TNF therapy. V565 is being evaluated for potential to treat Crohn's disease (see Phase 2 study NCT02976129)." . "OX40L (CD252) is the ligand for tumor necrosis factor receptor superfamily, member 4 (TNFRSF4, a.k.a. OX40 or CD134). OX40 is a secondary co-stimulatory immune checkpoint molecule expressed on activated T cells (requiring CD28 co-stimulatory signal), and OX40L is expressed on activated dendritic cells. The OX40/OX40L pair is involved in late T-cell costimulatory signaling and both are transiently expressed following antigen recognition, and blocking OX40/OX40L is reported to prevent the development of disease in in vivo autoimmune and inflammatory disease models . The OX40/OX40L pathway is being investigated for the development of novel anti-inflammatory therapeutics and anti-cancer drugs.
An antibody binding mouse OX40L" . "The CD40 ligand precursor is also cleaved into a soluble form of the ligand" . "The TNFSF6 precursor is also cleaved into a soluble form of the ligand." . "Trastuzumab is a humanized IgG1κ monoclonal antibody targeting HER2.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record.

Biosimilars:
NameTrade nameCompanyClinical PhaseIndications
trastuzumab-dkst; MYL-1401OHertraz; Canmab; OgivriMylan and Biocon Approved in India, FDA 2017, EMA 2018 (Ogivri)Breast cancer
trastuzumab-pkrb; CT-P6Herzuma; CredimaCelltrionApproved in S Korea, EMA & FDA 2018Breast cancer
trastuzumab-dttb; SB3OntruzantSamsung BioepisApproved (EMA 2017, FDA 2019)All approved indications of the reference product
trastuzumab-beta; trastuzumab-anns; ABP-980 KanjintiAmgen/AllerganApproved (EMA 2018, FDA 2019)All approved indications of the reference product
trastuzumab-qyyp; PF-05280014TrazimeraPfizerApproved (FDA 2019; see REFLECTIONS B327-02 trial NCT01989676)All approved indications of the reference product
HLX02ZercepacShanghai Henlius Biotech; Accord HealthcareApproved (EMA 2020)Approved to treat HER2 positive metastatic breast cancer
" . "Thymic stromal lymphopoietin (TLSP), an IL-7 like cytokine, is the endogenous ligand for the TLSP receptor. TLSP/TLSPR signalling is pro-inflammatory." . "The active peptide is anti-parallel homodimer linked by disulphide bonds. VEGFA exists as four isoforms of 121, 165, 189 and 206 amino acids. The shortest variant contains the full VEGFR2 binding site but lacks domains that are involved in interactions with extracellular-matrix and co-receptors which are present in the longer isoforms .
A recombinant single-chain derivative of VEGFA121 (scVEGF) can be used experimentally as a fully functional peptide that binds and activates VEGFR2 in the same manner as endogenous VEGFA . scVEGF can be labelled with a single fluorophore at its N-terminal, for use as a molecular probe ." . "The active peptide is a homodimer linked by disulphide bonds" . "The active peptide is a non-convalent and anti-parallel homodimer linked by disulphide bonds" . "The exact sequence of the receptor-binding form of this peptide has not been established." . "IL-5 receptor antagonist" . "A CD73 inhibitor used to study adenosinergic signaling regulation via the CD73 ecto-5′-nucleotidase.
CD73 inhibition is being investigated as a novel cancer immunotherapy strategy ." . "The INN for this compound is racemetirosine, indicating that it is a racemic mix of its R and S enantiomers. We show the non-isomeric structure to represent this mixture. The website rxlist.com describes the approved drug, Demser, as (-)-α-methyl-L-tyrosine, but shows a non-stereo molecular structure. We have annotated both versions (racemic and S-enantiomer (L or α) with the same US FDA approval date, as the exact compostion of the approved drug is unclear." . "Potent, highly selective iNOS inhibitor." . "This is the 18R-epimer of endogenous (18S) ." . "Used experimentally as a fluorescence-quenching substrate selective for angiotensin-converting enzyme 2 (ACE2) ." . "Anastrozole decreases the amount of estrogens that the body makes by inhibiting the enzyme aromatase, which is responsible for converting androgens to estrogens in females." . "Cleaved from angiotensin-1 by ACE2. The human, mouse and rat sequences are identical" . "Batimastat (BB-94) is a broad-spectrum matrix metalloprotease (MMP) inhibitor. It inhibits MMPs by binding the zinc ion in the active site of the enzymes." . "Marketed formulations may contain benserazide hydrochloride (PubChem CID 26964)." . "Bestatin is a transition-state analogue of the dipeptide PheLeu, a substrate for aminopeptidases." . "There is some ambiguity in the literature and on online resources as to the exact stereochemisitry of biliverdin. The structure shown here matches that linked to above in PubChem, but may be different to that shown in the other resources linked to. Other common representations are: CID 5280353, CID 6183357 and CID 5315455." . "From the fungus Cladosporium cladosporioides" . "Vitamin K hydroquinone is the product of reduction of vitamin K by vitamin K epoxide reductase" . "Captopril is a potent, competitive angiotensin-converting enzyme (ACE) inhibitor, and is one of the few that is not a prodrug." . "Carbidopa was originally approved by the FDA in combination with in 1975. It is an inhibitor of L-Aromatic amino-acid decarboxylase (a.k.a. L-Dopa decarboxylase) that decreases the peripheral decarboxylation of levodopa to dopamine. The competitive or noncompetitive nature of carbidopa's interaction with L-Dopa decarboxylase is complex. Two published papers that discuss the kinetics of the inhibitor/enzyme interaction are and , and from analysis of these it would appear that due to the slow dissociation of carbidopa from L-Dopa decarboxylase, once the enzyme/inhibitor complex has formed substrate is unable to displace the inhibitor. Carbidopa is described as a competitive inhibitor in these articles ." . "Cilastatin (sodium) is an adjunct to treatment with the antibacterial imipenem (PubChem CID 104838). Functions as a dipeptidase inhibitor." . "Eflornithine is an irreversible ornithine decarboxylase inhibitor and is a partial inhibitor of arginase enzymes . Marketed formulations may contain eflornithine hydrochloride (PubChem CID 57004).

Eflornithine has recently been reported to provide neuroprotective effects in a mouse model of Alzheimer's disease (AD) . The authors identify microglial-induced arginine depletion as a causative factor in AD pathophysiology in their model, focussing on inhibition of arginine catabolising enzymes as a novel mechanism by which to halt the neurodegeneration observed in AD. These findings suggest that eflornithine could be used as a starting point for medicinal chemists to identify novel compounds with anti-arginase activity in humans." . "Fasudil is a potent inhibitor of the Rho-kinases ROCK1 and ROCK2." . "FLAP is a scaffolding protein involved in leukotriene (eicosanoid proinflammatory mediator) biosynthesis. It has been investigated as a molecular target for novel anti-inflammatory drugs , in particular for airway inflammation ." . "Biologically active FLIP is a heterodimer formed from two subunits; and ." . "FR122047 is an orally active, selective cyclooxygenase-1 (COX-1) inhibitor with antiplatelet, analgesic and anti-inflammatory actions in vivo. Used experimentally as the hydrochloride salt (PubChem CID 196840)." . "Gö6983 is a pan-PKC inhibitor ." . "GF109203X is a potent, ATP-competitive PKC inhibitor ." . "The human, mouse and rat sequences are identical" . "GSK-690693 is an ATP competitive, pan-AKT kinase inhibitor ." . "One of the myo-inositol monophosphates" . "One of the myo-inositol monophosphates" . "One of the myo-inositol monophosphates" . "JNJ1661010 is an inhibitor of fatty acid amide hydrolase (FAAH). The apparent IC50 is time-dependent, and binding is slowly reversible due to the formation of a covalent intermediate which is hydrolysed to release the compound ." . "This compound is used as a probe for PLD2 function." . "Can be used as an endocannabinoid signaling probe; analgesic properties." . "Letrozole is an oral non-steroidal aromatase (CYP19A1) inhibitor, with anti-estrogen action." . "Liarozole is an racemic mixture of two enantiomers" . "Lithium is a long-standing psychiatric medicine of unclear mechanism. A number of enzymes have been proposed as potential targets of lithium action, including inositol monophosphatase, a family of structurally related phosphomonoesterases, and the protein kinase glycogen synthase kinase-3 (see and the DrugBank link). Administered as salt formulations such as the carbonate PubChem CID 11125" . "Luteolin is a flavone, a type of flavonoid, naturally occuring in a variety of plants. It has antimalarial activity, inhibiting the growth of P. falciparum during the intraerythrocytic stages of the parasite's lifecycle ." . "Lipoxin B4 (LXB4) is a member of the lipoxin family. In inflammation it acts as a proresolving mediator ." . "L-α-methyldopa is metabolised to α-methylnorepinephrine in the brain, the metabolite being a selective agonist of α2 adrenoceptors. Clinical L-α-methyldopa use has largely been replaced by safer alternatives." . "MAFP is a non-selective irreversible inhibitor of many endocannibinoid-metabolising enzymes, including FAAH, MAGL, ABHD6, ABHD12." . "Marimastat (BB-2516) is a broad spectrum matrix metalloprotease (MMP) inhibitor. Its MMP inhibitory action has been applied to treating cancer . Most recently marimastat has been reported to inhibit certain snake venom metalloproteases , with the implication that it could be repurposed as an antidote to snake venom poisoning ." . "Metyrapone is a reversible inhibitor of steroid 11β-hydroxylase (gene symbol CYP11B1)." . "The peptide sequence provided here is the predicted receptor-binding form, taken from its UniProt entry. The active form of this protein is a disulphide-linked homodimer." . "Milrinone is a phosphodiesterase 3 (PDE3) inhibitor." . "Naproxen is one of the 2-arylpropionic acid ('profen') family of nonsteroidal anti-inflammatory drugs (NSAIDs), like ." . "NKH477 is a water-soluble adenylyl cyclase activator . It is a derivative of . NKH477 is used experimentally as the hydrochloride salt. Relative to forskolin, NKH477 activates cardiac adenylyl cyclase more potently than the adenylyl cyclases from other tissues (lung, brain, and kidney) ." . "NKY80 is an adenine-like small molecule which acts as an adenylyl cyclase inhibitor, exhibiting modest selectivity for AC5/6 over other adenylyl cyclase isoforms ." . "OL135 is an inhibitor of fatty acid amide hydrolase (FAAH) ." . "We represent the compound as drawn in the article by Wu et al (2010) . Note that the PubChem entry for this compound is missing stereochemistry." . "Paracetamol is approved by the US FDA as acetaminophen. Paracetamol is a widely used analgesic and antipyretic drug." . "A synthetic amino acid which covalently binds to tryptophan hydroxylase to cause depletion of serotonin in the brain ." . "PD98059 is a non-ATP competitive MEK inhibitor i.e. it acts as a negative allosteric modulator ." . "PF3845 is an inhibitor of fatty acid amide hydrolase (FAAH) ." . "PF750 is an inhibitor of fatty acid amide hydrolase (FAAH) ." . "RHC80267 ia a diacylglycerol lipase (DAGL) inhibitor. It does not inhibit ABHD12." . "Riociguat is the first-in-class stimulator of soluble guanylate cyclase (sGC) class of drugs." . "Rolipram is a a well-characterized PDE4 inhibitor that has been widely used in research to examine the role(s) played by PDE4 in autoimmune and inflammatory diseases , Alzheimer's disease and cognition . The INN-assigned preparation of rolipram is a racemic mixture of R-rolipram and S-rolipram. The structure shown here does not specify stereochemistry to represent the mixture. The two stereoisomers are represented on PubChem by CID 448055 and CID 158758, and by the entries on DrugBank linked to in the table above." . "The structure and activity of ruboxistaurin (as LY333531) is reported in . Ruboxistaurin is selective for the PKC isozymes PKCβI and PKCβII compared to PKCα.
This compound is proposed to have therapeutic potential for treatment of nephropathy and vascular complications associated with diabetes mellitus ." . "SB203580 inhibits p38 MAPK enzymes, with some selectivity for p38α. The compound has been used to dissect the p38 signalling pathway and to determine the binding mode and differentiate functions between the four p38 MAP kinase homologues . The hydrochloride salt is water-soluble." . "SP600125 is an ATP-competitive, pan JNK inhibitor with potent activity against JNK1, JNK2 and JNK3 . Off targets including the aryl hydrocarbon receptor (AhR; agonist) , Mps1 (TTK, a tyrosine, serine and threonine kinase) , and some serine/threonine kinases (Aurora kinase A, FLT3, MELK, and TRKA) have been identified." . "STO609 is a selective and cell-permeable inhibitor of the Ca(2+)/calmodulin-dependent protein kinase kinases CaMKK1 and CaMKK2 . The compound has been assessed in preclinical studies." . "Sapropterin (also known as tetrahydrobiopterin or BH4) is an essential enzymatic cofactor for aromatic amino acid hydroxylase enzymes; phenylalanine hydroxylase (PAH), tryptophan hydroxylase, tyrosine hydroxylase and for nitric oxide synthase. It is used by PAH to degrade phenylalanine, and is required for the biosynthesis of the neurotransmitters serotonin, melatonin, dopamine, norepinephrine (noradrenaline) and epinephrine (adrenaline).
Sapropterin is produced via a pathway of reactions catalysed by the enzymes GTP cyclohydrolase I (GCH1; the primary and rate-limiting reaction), 6-pyruvoyltetrahydropterin synthase (PTPS) and sepiapterin reductase (SR; the terminal reaction)." . "An endogenous peptide, which is highly and specifically expressed in the cornea. Corneal expression is confined to the stromal layer . It is highly homologous to the anti-angiogenic angiopoietins. and may contribute to the avascularity of the human cornea." . "Orlistat is a lipase inhibitor. Lipase enzymes include gastric and pancreatic lipases, diacylglycerol lipase (DAGL) and αβ-hydrolase 12 (ABHD12). It is used as an anti-obesity drug treatment. At least 18 isomeric forms exist in PubChem." . "The active metabolite of anti-diarrheal drug racecadotril" . "TOFA inhibits acetyl-CoA carboxylase-induced fatty acid synthesis in human MCF-7 cells ." . "The approved drug tranylcypromine is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture. The two enantiomers are represented by CID 19493 and CID 26070." . "Vinpocetine is a semisynthetic derivative of the vinca alkaloid vincamine ." . "Zileuton is an orally active 5-LOX inhibitor.
The approved drug is a racemic mixture of R(+) and S(-) enantiomers (PubChem CID 10681296 and CID 10220327 respectively), which are both pharmacologically active. The structure shown here does not specify stereochemistry and represents the mixture.
The hepatotoxicity of zileuton is suggested to be due to the N-hydroxyurea group ." . "Synthetic analogue of NT(8-13)" . "Synthetic analogue of NT(8-13)" . "ABS-201 (a.k.a. HPI-201) is a synthetic analogue of the C-terminal hexapeptide of neurotensin (Neurotensin[8-13]) that is the essential determinant of its biological activity." . "Biologically active placental growth factor is an antiparellel homodimer" . "An secretory, angiopoietin-like peptide expressed in vascularized tissues ." . "Agrin is a 2016 amino acid length peptide. A full amino acid sequence and list of predicted post-translational modifications are shown on Uniprot" . "LRP4 is a 1885 amino acid peptide. For a full sequence and list of predicted post-translational modifications, see the Uniprot entry for this peptide" . "Ceftriaxone is a cephalosporin antibacterial." . "This compound is represented on PubChem by CID 443130." . "Isolated from the fungus Helminthosporium dematioideum." . "Primidone is a barbiturate anticonvulsant. Clinical use of primidone has largely been replaced by newer alternatives." . "Carbamazepine is a tricyclic anticonvulsant.
Carbamazepine has been shown to inhibit Wnt/β-catenin signalling by binding to an allosteric site of the Wnt ligand receptor FZD8 . It does not bind to FZD5 so can be used to distinguish between these two receptors." . "Cisplatin is a platinum-based chemotherapy drug in the same class as and . Its main action is as an alkylating agent (see Clinical Data tab for further details)." . "Corynanthine is one of the two diastereoisomers of (the other is )." . "Epibatidine is a nAChR agonist isolated from the skin of the frog Epipedobates tricolor. This compound is extremely toxic, so less harmful derivatives have been developed." . "A toxin isolated from the venom of the spider Parawixia bistriata. The structure of this compound has not been characterised." . "Decapeptide cleaved from the hemoglobin beta subunit precursor protein. This peptide was originally identified in sheep ." . "A synthetic fragment of endogenous peptide galanin." . "A synthetic fragment of endogenous peptide galanin. The sequence of this fragment is conserved across human and rodent species" . "A synthetic fragment of endogenous porcine peptide galanin" . "An orthologue of PROK2 from amphibians" . "The C-terminal arginine residue is cleaved by C3 convertase" . "A product of Ang II degradation" . "This is a radio-labelled analogue of the bioactive lipid pphingosine 1-phosphate (S1P)." . "Beta globin (also referred to as HBB, β-globin, haemoglobin beta, hemoglobin beta, or preferably haemoglobin subunit beta) is a globin protein, which along with alpha globin (HBA), makes up the most common form of haemoglobin in adult humans, the haemoglobin A (HbA)." . "This sequence is predicted by similarity to other species" . "Pharmacological characterization of CGP12177 as a partial agonist at the human β2-adrenoceptor was reported in ." . "A radioactive tracer that is used as a research tool to label β-adreneoceptors." . "This is a radio-labelled version of LPA that can be used as a tracer in receptor binding assays." . "A heteromer of human relaxin A and B chain linked by disulphide bonds and labelled with 125I." . "This is a radio-labelled vasopressin analogue." . "A non-hydrolyzable GDP analog that inhibits G-protein activation." . "This is a D-series resolvin." . "A fluorescent dipeptide" . "Useful in the treatment of acute or chronic inflammatory conditions. Sulindac is a prodrug, derived from sulfinylindene. It has COX inhibitory activity, but the full details of its anti-inflammatory and and proapoptotic (anti-tumour) mechanisms remain to be resolved. Antagonism of RXRα has been implicated in its apoptosis-promoting effects in cancer cells . Recent report suggests potential use for cystic fibrosis ." . "Adapalene is a third-generation topical anti-acne retinoid." . "LuAE51090 is a muscarinic acetylcholine M1 receptor agonist ." . "Guanabenz is an antihypertensive drug.
Marketed formulations may contain guanabenz acetate (PubChem CID 5702062). This entry shows the E isomer, as represented in the INN record for guanabenz." . "The approved drug methadone is a racemic mixture of two enantiomers; (S)-methadone and (R)-methadone. The structure shown here does not specify stereochemistry and represents the mixture." . "Marketed formulations usually contain varenicline tartrate (PubChem CID 9906942). ChEMBL represents this compound without specified stereochemistry (see link above)." . "Etomidate is a hypnotic agent. Note that we represent the exact chemical structure of the compound as submitted with its INN record." . "Propofol is a short-acting (lasting 5-10 minutes) sedative.
Propofol is on the World Health Organisation's List of Essential Medicines. Click here to access the pdf version of the WHO's 21st Essential Medicines list (2019)." . "Etifoxine is an racemic mixture of two enantiomers, which are represented on PubChem by CID 16742574 and CID 16742573. The structure shown here does not specify stereochemistry and represents the mixture." . "Stiripentol is an orally active anti-epilepsy drug. Chemically is a mixture of enantiomers. The structure shown here does not specify stereochemistry at the chiral centres and is used to represent the mixture. Click here to view the PubChem records for associated stereoisomers." . "DAPI is a widely used fluorescence microscopy tool. It fluorescently labels A-T rich regions in DNA in live and fixed cells." . "Felbamate is an anticonvulsant." . "Pentobarbital is a racemic mixture of two enantiomers; (R)-pentobarbital and (S)-pentobarbital." . "Toluene is a widely used industrial solvent. It is one of the many solvents inhaled as a drug of abuse." . "Although gabapentin was desigened to mimic gamma-aminobutyric acid (GABA), it is believed that gabapentinoids act on different brain receptors, such as the α2δ subunit of voltage-gated calcium channels." . "Foscarnet is an antiviral medication." . "Pregabalin is a gabapentinoid class anti-seizure medication. Chemically, it is a 3-isobutyl derivative of the inhibitory neurotransmitter γ-aminobutyric acid (GABA), but it appears to function as a modulator of voltage-gated calcium channels, rather than a GABA receptor agonist." . "In addition to being an approved drug with INN dexlansoprazole, (R)-lansoprazole is also a component of the approved drug lansoprazole, a racemic mixture of (R)- and (S)- stereoisomers. Use this PubChem link to view all 3 isomers." . "This drug (the S enantiomer) is a component of the approved drug , a racemic mixture of the R and S enantiomers. This drug is a potassium-transporting ATPase inhibitor, commonly referred to as a proton pump inhibitor." . "The systematic name of this compound as used in the reference is (R)-(1-{2-[tris(4-methoxyphenyl)methoxy]ethyl}pyrrolidin-2-yl)acetic acid." . "4-CMTB is a synthetic FFA2 allosteric modulator . It exhibits allosteric cooperativity with the FFA2 agonist propionate (C3)." . "The approved drug sulpiride is an enantiomeric mixture of (+)-sulpiride and (-)-sulpiride. We show the non-isomeric structure to represent the mixture." . "The human Human Metabolome Database (HMDB) suggests that cyclohexylamine a human xenobiotic metabolite (see HMDB0031404), but does not specify from which exogenous subtance(s) it is generated." . "Marketed formulations may contain naphazoline hydrochloride (PubChem CID 11079) or naphazoline nitrate (PubChem CID 16218420)." . "This compound is a positional isomer of the drug . Like amphetamine it acts as a trace amine associated receptor 1 (TAAR1) agonist ." . "Certain human gut microbes can generate trimethylamine from foods rich in lecithin, choline and L-carnitine. The trimethylamine can then be absorbed in to the blood, and subseuently metabolised in the liver to trimethylamine N-oxide." . "The Pubchem entry linked to above represents a different tautomer. Our structure was drawn from the reference listed." . "Abn-CBD is a synthetic cannabidiol analogue, that is believed to act through receptor(s) other than CB1 and CB2 ." . "A member of the cathelicidin family of antimicrobial peptides. Induces FPRL-1-mediated chemotaxis of human neutrophils. The mouse orthologue of LL-37 is ." . "The chemical structure of this compound is drawn from the article which describes its discovery . The entry on PubChem linked to above shows a different tautomer, with InChi Key VXQODUTXJSINFP-LJAQVGFWSA-N." . "Compound 48/80 is used experimentally to induce mast cell degranulation and histamine release . It is an oligomeric mixture of condensation products of N-methyl-p-methoxyphenethylamine and formaldehyde. The trimer is the most abundant oligomer of the mixture. It is most commonly used as the trichloride salt." . "This is a stable analogue of ." . "Chloroquine is a 4-aminoquinoline and used primarily as an antimalarial drug.
The approved drug is a racemic mixture and we show the chemical structure without stereochemistry to represent the mixture. The non-isomeric structure is also represented in the PubChem, ChEMBL and ChEBI entries listed in the links table below, while the two enantiomers forming the racemate are represented by PubChem CID 444810 and PubChem CID 639540. The PDB entry listed in the links table is for (R)-chloroquine.
Marketed formulations may contain chloroquine phosphate (PubChem CID 64927).

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Synthetic analogue of the glycoprotein hormone common alpha subunit, one of the subunit components of the the synthetic FSH analogue FSH deglycosylated α/β" . "Synthetic analogue of FSH β subunit, one of the subunit components of the FSH synthetic analogue FSH deglycosylated α/β" . "A macrocyclic chelator used to form complexes with some synthetic peptides. Drugs containing DOTA as a chelator are allocated INNs ending with tetraxetan." . "From the venom of Psalmopoeus cambridgei (Trinidad chevron tarantula)" . "From the venom of Psalmopoeus cambridgei (Trinidad chevron tarantula)" . "From the venom of Psalmopoeus cambridgei (Trinidad chevron tarantula)" . "Psychosine is a cytotoxic sphingolipid that accumulates in cell membranes in the absence of functional lysosomal enzyme, galactosylceramidase (GALC) ." . "Found in Eclipta alba (false daisy) and in Wedelia calendulacea." . "O-arachidonoyl ethanolamine is an eicosanoid group endocannabinoid." . "Stereoisomer of CP55940" . "Synthetic analogue of human TIP39" . "Synthetic analogue of human PTH" . "Synthetic analogue of human PTH" . "Synthetic analogue of human PTH" . "Synthetic analogue of human PTH" . "AVE 0991 is a non-peptide mimmetic of angiotensin-(1-7), and selective Mas receptor agonist, with anti-atherosclerotic action ." . "Synthetic analogue of human GnRH-II" . "Synthetic analogue of human GnRH" . "Synthetic analogue of the GnRH decapeptide, with antagonistic action." . "Relugolix (TAK-385) is a non-peptide, orally active GnRH receptor antagonist . Administration suppresses the hypothalamic-pituitary-gonadal axis. In males this causes chemical castration." . "Tecadenoson is a selective agonist for the adenosine A1 receptor (ADORA1) ." . "Regadenoson is a selective adenosine A2A receptor agonist, with a substantially longer biological half-life than ." . "There is some ambiguity in the literature and on online resources as to the chirality of rolofylline. The structure shown here does not specify stereochemistry and matches the representations shown on Pubchem, Drugbank and Chemspider. Rolofylline is represented on ChEMBL by the entry CHEMBL2103819." . "Istradefylline is a high affinity, selective adenosine A2A receptor antagonist. Chemically it is a analogue. Istradefylline was developed to treat adult Parkinson's disease patients experiencing %22OFF%22 episodes, as an adjunct to levodopa/carbidopa therapy." . "An investigational orally available and selective adenosine A2A receptor antagonist." . "Vipadenant is an adenosine A2 receptor antagonist that can promote T cell activation. It was originally investigated as a potential therapeutic for Parkinson's disease but development for this indication was discontinued at Phase 2 ." . "Preladenant (SCH 420814) was an adenosine A2A receptor antagonist being developed for Parkinson's disease. Promising Phase 2 trial results did not translate to a significant effect over placebo in Phase 3 trial. Development has been discontinued." . "NODAGA-Tyr3-octreotide (NODAGATOC) was synthesised by coupling the macrocyclic chelator 1-(1-carboxy-3-carbo-tert-butoxypropyl)-4,7-(carbo-tert-butoxymethyl)-1,4,7-triazacyclononane (NODAGA(tBu)3) to [Tyr3]-octreotide (TOC)." . "Demotate 2 can be radiolabelled with 99mTechnetium, a metastable nuclear isomer of Technetium-99 and is widely used in diagnostic nuclear medicine." . "Edotreotide is somatostatin receptor agonist. It is radiolabelled with gallium (68Ga) chloride for PET imaging." . "This is an analogue of . Tyr3-octreotide can be radio-labelled (e.g. with technetium-99) for use in nuclear medicine to image neuroendocrine tumours expressing the somatostatin receptor ." . "The saturated C16 chain acyl group can be attached to either of the oxygen atoms in the glycero moiety." . "The saturated C18 chain acyl group can be attached to either of the oxygen atoms in the glycero moiety." . "This ligand represents a class of compounds where the CH3 linked to the acyl group represents a carbon chain that may be of any length." . "A-674563 is an inhibitor of the protein kinase B family member, AKT1 ." . "Using the trade name Masivet, this compound has been used for several years to treat mast cell tumours in dogs . It is a receptor tyrosine kinase (RTK) inhibitor, with inhibitory activity at the cKIT, platelet derived growth factor receptor (PDGFR) and fibroblast growth factor receptor (FGFR) RTKs .

SARS-CoV-2: Using X-ray crystallography, masitinib has been shown to bind (non-covalently) into the catalytic site of the SARS-CoV-2 3CL protease (Mpro) , which corresponds with detection of in vitro Mpro inhibitory activity. It does not bind to the other viral protease PLpro." . "Linifanib is a potent, orally active inhibitor of several receptor tyrosine kinases (RTKs), with principal targets being FLT3, CSF1R and VEGFR2." . "This is compound 7 in ." . "Axitinib is a Type-1 kinase inhibitor. Axitinib inhibits several receptor tyrosine kinases including VEGFR-1, VEGFR-2, VEGFR-3, platelet derived growth factor receptor (PDGFR), and cKIT." . "Motesanib is a pan-VEGFR inhibitor that was investigated for anti-tumourigenic efficacy." . "AST-487 selectively inhibits mutant FLT3 (Fms-like tyrosine kinase-3) and RET ( ret proto-oncogene) receptor tyrosine kinases." . "AT-7519 is an inhibitor of several cyclin-dependent kinases ." . "PMX205 is potent, non-competitive and orally active C5a receptor peptide antagonist ." . "This is the active form of the phosphate pro-drug . It is an inhibitor of Aurora kinase B ." . "Cediranib is a highly potent VEGFR2 (KDR) inhibitor . This compound was in the AstraZeneca/NCATS repurposing list from 2012." . "Selumetinib is a selective, orally bioavailable MEK1/2 inhibitor ." . "BI-2536 was initially reported as a polo-like kinase 1 (PLK1) inhibitor . More recently, this compound has been discovered to function, in addition, as a BRD4 (bromodomain) inhibitor . It is suggested that BI-2536 be termed a dual kinase-bromodomain inhibitor." . "Afatinib is a second-generation, irreversible, covalently-bound EGFR tyrosine kinase inhibitor. It potently and selectively inhibits EGFR and Erbb2 . Although afatinib demonstrates improved activity against the gatekeeper EGFR T790M resistance mutation, it is equally potent against the wild-type receptor, leading to dose-limiting toxicities and a narrow safety window . Third generation, wild-type sparing inhibitors such as are in development to circumvent this problem ." . "Doramapimod is an allosteric p38 MAP kinase inhibitor ." . "BMS-345541 is a selective allosteric inhibitor of both subunits (IKK-alpha and IKK-beta) of IκB kinase (IKK) . Has anti-inflammatory activity." . "BMS-387032 was originally reported as a potent and selective inhibitor of cyclin-dependent kinase 2 . It has subsequently been discovered to potently inhibit CDK7 and CDK9 ." . "CI-1040 is an investigational MEK1/2 inhibitor , which acts as a negative allosteric modulator of kinase activity." . "Brivanib (BMS-540215) is a potent ATP-competitive inhibitor of VEGFR2. Its discovery is reported in .
The International Non-proprietary Name (INN) brivanib alaninate has PubChem CID 11154925, and this represents the prodrug used in clinical trials." . "Lestaurtinib was identified as an inhibitor of the receptor tyrosine kinase (RTK) FLT3 (fms-related tyrosine kinase 3) with activity against leukemia cells in vitro and in vivo . It has activity against other RTKs. A drug repurposing sceen for breast cancer has identified lestaurtinib as a promising agent which appears to sensitise BRCA mutant and wild type breast cancer cells to the effects of the Poly (ADP-ribose) polymerase 1 (PARP1) inhibitor ." . "CHIR-265 is an orally bioavailable inhibitor of RAF kinases, including the BRAF V600E mutant. It also inhibits phosphorylation of VEGFR2 (link to this abstract at AACR Meeting Abstracts Online #4876)." . "Canertinib is an irreversible inhibitor which blocks signal transduction through all four members of the erbB family ." . "Recombinant analogue of CHIPS" . "Tofacitinib is an orally active, Type-1 Janus kinase (JAK) inhibitor and it was first approved by the US FDA in 2012. Tofacitinib was originally described as a selective JAK3 inhibitor , but subsequent analysis has revealed it to be a pan-JAK inhibitor, with predominant JAK1 inhibition ." . "Dasatinib is a Type-1 kinase inhibitor and was first approved by the FDA in 2006." . "Foretinib is a small molecule ATP-competitive inhibitor principally of the protein kinases c-Met (HGFR) and vascular endothelial growth factor receptor 2 (VEGFR2, aka KDR) ." . "Alvocidib is a selective inhibitor of cyclin-dependent kinase (CDK) 2 and CDK4 ." . "GDC-0879 is an inhibitor of B-Raf proto-oncogene (BRAF), serine/threonine kinase . It was a preclinical lead compound. PubChem includes four alternative tautomeric forms of this compound. Most sources are linked to CID 11717001 but some assay resulls are linked to CID 57519545. This has a Probe Portal entry SGC GDC-0879" . "Pictilisib is a potent and orally bioavailable inhibitor of Class I phosphatidylinositol-3 kinase family proteins ." . "GSK-1838705A is an experimental inhibitor of the insulin receptor (INSR), insulin-like growth factor I receptor (IGF1R), and anaplastic lymphoma receptor tyrosine kinase (ALK) , with little inhibitory effect on other kinases." . "GSK-461364A is an inhibitor of polo-like kinase 1 (PLK1) . It was tested in preclinical studies." . "GW-2580 is an inhibitor of the receptor tyrosine kinase, colony stimulating factor 1 receptor (CSF1R or FMS) . CSF1R inhibitors are considered to have therapeutic potential for the prevention of osteolytic disease associated with bone metastasis and other bone diseases. GW-2580 has been assessed in preclinical investigations." . "KW-2449 is a multi-targeted kinase inhibitor that was investigated as a treatment for leukemias with FLT3 mutations or T315I-mutated BCR/ABL translocation." . "Neratinib is an irreversible inhibitor of the receptor tyrosine kinase (RTK), ErbB2 . It also inhibits the related RTK, EGFR." . "Imatinib is a Type-2 kinase inhibitor. Its main inhibitory activity is against ABL kinase, but it has significant action at secondary targets including platelet-derived growth factor receptor (PDGFR) and stem cell growth factor receptor (KIT).

Coronavirus: imatinib is reported to block Spike protein-induced SARS-CoV and MERS-CoV fusion in vitro , potentially by blocking Abl2 at the endosomal membrane and disrupting the actin dynamics that are required for virus-host fusion . It will be informative to determine if this holds true for SARS-CoV-2, and whether re-purposing of imatinib and/or newer Abl kinase inhibitors (, , , ) could be a viable strategy against COVID-19. This approach would likely to be most effective during the early stage of infection." . "Ruxolitinib is a Type-1 kinase inhibitor and was first approved by the US FDA in 2011. Ruxolitinib has high potency against Janus kinases 1 and 2 (JAK1, JAK2), as well as against the related family member, tyrosine kinase 2 (TYK2) . Inhibitory activity against JAK3 is only slightly reduced compared to the other three family kinases.
Marketed formulations may contain ruxolitinib phosphate (PubChem CID 25127112)." . "JNJ-28312141 is an inhibitor of the receptor tyrosine kinase, colony stimulating factor 1 receptor (CSF1R or FMS) and inhibits only five other tested kinases with an IC50 of <100nM . CSF1R inhibitors are considered to have therapeutic potential for the prevention of osteolytic disease associated with bone metastasis and other bone diseases." . "Ki-20227 is an inhibitor of the receptor tyrosine kinase, colony stimulating factor 1 receptor (CSF1R or FMS) . CSF1R inhibitors are considered to have therapeutic potential for the prevention of osteolytic disease associated with bone metastasis and other bone diseases." . "Lapatinib is a Type-1.5 kinase inhibitor and was first approved by the US FDA in 2007." . "Enzastaurin is a selective inhibitor of protein kinase Cβ . Note that reported affinity values may have been generated using the hydrochloride salt (PubChem CID 176166)." . "MLN-120B is an experimental, selective small molecule inhibitor of IKKβ (IKK2) ." . "Tandutinib is reported as a fms-related tyrosine kinase 3 (FLT3) inhibitor, although it has almost identical IC50s for PDGRFβ and KIT ." . "MLN-8054 is an ATP-competitive (Type I), reversible inhibitor of Aurora kinases A, B and C with limited selectivity for A ." . "Nilotinib is a Type-2 kinase inhibitor and was first approved by the FDA in 2007.
Preclinical studies in rodent Parkinson's disease models suggest that nilotinib has some potential to promote autophagic degradation of α-synuclein , a brain protein whose accumulation and aggregation contributes to the formation of toxic insoluble fibrils which cause pathological changes such as neuronal loss in Parkinson's disease and other synucleinopathies. This mechanism has been evaluated in a pilot, proof-of-concept and safety clinical trial in a small number of patients with Parkinson's disease- and diffuse Lewy body disease-associated cognitive impairment (see NCT02281474; note that this trial is not placebo controlled or blinded)." . "Pazopanib is a Type-1 kinase inhibitor. Its discovery is reported in . It targets multiple receptor tyrosine kinases (VEGFR1, VEGFR2, VEGFR3, PDGFRβ, FGFR1, Kit and CSF1R)." . "PHA-665752 is a potent, selective and ATP-competitive c-MET (HGFR) inhibitor ." . "The discovery of PI-103 is described in , where it is compound 10e. It was originally identified as a PI3Kα/β inhibitor, but has subsequently been found to inhibit catalytic activity of all four PI3K subunits (α, β, γ and δ) ." . "Midostaurin is an analogue of , and was originally described as a PKC inhibitor . It was later reported as an inhibitor of fms-related tyrosine kinase 3 (FLT3) ." . "PLX-4720 is a selective inhibitor of BRAF." . "PP-242 is a selective mTOR inhibitor, which inhibits both mTOR containing protein complexes, mTORC1 and mTORC2. The discovery of PP-242 is described in , where it is compound 13.
PubChem entry CID 57347681 represents an alternative tautomer of this compound." . "Vatalanib is a potent and orally biovailable inhibitor of vascular endothelial growth factor (VEGF) receptor tyrosine kinases ." . "SU-14813 is an oral, multitargeted receptor tyrosine kinase inhibitor targeting VEGFRs, PDGFRs, KIT, and FLT3 ." . "Tamatinib (R406) is a potent ATP-competitive (Type I) Syk inhibitor. It is the active form of the prodrug ." . "R547 is an inhibitor of cyclin-dependent kinases (CDK), with selectivity for CDK1, 2 and 4 ." . "SGX-523 is an ATP-competitive, highly selective inhibitor of the receptor tyrosine kinase, hepatocyte growth factor receptor (MET) . While Buchanan et al. include three PDB structures linked via PubMed to MMDB entries, two of them depict a charge-state tautomer of SGX-523. These thus point to a different compound PubChem CID 42628064 but the PDB link above points to the correct ligand structure. Note also, becasue of its established specificity, this now has a SGC Probe Portal entry SGX-523." . "Bosutinib is a Type-1 kinase inhibitor. This compound is a dual inhibitor of Src family kinases and Abl kinase activity ." . "Sorafenib is a broad spectrum Type-2 kinase inhibitor targeting VEGFR2, VEGFR3, PDGFRβ, Flt3, and KIT and non-receptor kinases RAF1 and BRAF ." . "Sunitinib is a Type-1 kinase inhibitor and was first approved by the US FDA and EMA in 2006." . "NVP-TAE684 is a next-generation inhibitor designed to inhibit oncogenic ALK-rearranged fusion proteins involved in certain cancers. It was initially identified as a potent and selective inhibitor of the NPM-ALK fusion ." . "TG-100-115 is an isozyme-selective inhibitor of phosphatidylinositol-3-kinase (PI3K). The discovery and synthesis of this compound is described in , where it is compound 6. It has subsequently been reported to inhibit the kinase activity of the TRPM7 ion channel, an action that suppresses breast cancer cell migration and invasion ." . "Fedratinib (TG‑101348) was initially reported as an orally active JAK2-FLT3 kinase inhibitor, with biological activity via JAK2 inhibition . More recently, this compound has been discovered to function, in addition, as a BRD4 (bromodomain) inhibitor . It is suggested that TG‑101348 be termed a dual kinase-bromodomain inhibitor. Fedratinib is been identified and officially approved as an alternative to the JAK1/2 inhibitor for the treatment of primary and secondary myelofibrosis ." . "Vandetanib is a Type-1 kinase inhibitor. It potently inhibits RET, VEGFR-2 (KDR) and EGFR tyrosine kinase activity ." . "Tozasertib is a potent inhibitor of all three members of the Aurora kinase family ." . "Neflamapimod (VX-745) is an ATP-competitive inhibitor of mitogen-activated protein kinase p38α that was originally assessed in preclinical investigations for antiarthritic/antiinflammatory activity. More recently the compound is being repurposed since the p38α mechanism may modulate Alzheimer's specific inflammatory processes ." . "JNJ-38431055 is a GPR119 receptor agonist." . "A-803467 is a voltage-gated sodium (Nav) channel inhibitor, with selectivity for the Nav subtype. It has been used in experimantal work to investigate the link between Nav1.8 knockdown and inflammatory and neuropathic pain. Since A-803467 exhibits poor oral pharmacokinetics in preclinical models, an optimised compound was designed in the form of , which is orally bioavailable and has improved selectivty and a reduced (but still not ideal) hERG liability ." . "Note that the structure shown here does not specify the position of the tritiated hydrogen atom." . "Netupitant is a selective tachykinin receptor 1 (NK1) receptor antagonist." . "Rolapitant is an orally available neurokinin-1 (NK1) receptor antagonist.
Rolapitant is example 72b in patents US20110098468 and US7049320 B2 ." . "There is some ambiguity as to the exact structure of ezlopitant in the literature and on other databases. The structure shown here is the same as the INN-assigned structure." . "Vestipitant is an investigational NK1 receptor antagonist." . "Casopitant is an investigational NK1 receptor antagonist." . "C-terminal synthetic analogue of C3a" . "Synthetic C-terminal analogue of C3a" . "Pavinetant (AZD2624) is an orally active antagonist of neurokinin receptor 3 (TACR3) developed initially by AstraZeneca as a potential therapeutic for schizophrenia. This compound was included in AstaZeneca's Open Innovation Pharmacology Toolbox (but has since been removed). Later renamed to AZD4901 it was acquired by Millendo Therapeutics who gave it a new research code of MLE4901 for their development programs for polycystic ovary syndrome and menopausal hot flushes. A successful Phase 2 study for the latter indication was reported in April 2017 . A total of eight analogues are disclosed in the AstraZeneca composition of matter filing ," . "Synthetic analogue of the C-terminus of C5a" . "Synthetic analogue of a mutated form of C5a ." . "Valine residue at position 7 of the natural sequence is replaced by tryptophan and glycine at position 8 is replaced by β-alanine." . "Monomethyl fumarate (MMF) is the active metabolite of the approved drug (DMF)." . "The PubChem entry linked to in the table above shows a different tautomer." . "The chemical structure of this compound is drawn from the article which describes its discovery . The PubChem entry linked to in the table above shows a different tautomer." . "Taprenepag is a prostanoid EP2 receptor agonist in clinical development for ocular hypertension/glaucoma . Chemically PF-04217329 is the pro-drug taprenepag isopropyl (PubChem CID 23729077), the active acid metabolite of which is CP-544326, as depicted here." . "PF-04418948 is an orally active, potent, and selective EP2 receptor antagonist . PF-04418948 was investigated in Phase I clinical trial, following which development was discontinued." . "Marketed formulations may contain treprostinil diolamine (PubChem CID 11179459) or treprostinil sodium (PubChem CID 23663413)." . "Sufinpyrazone is a uricosuric anti-gout medication, i.e. it increases excretion of uric acid in the urine." . "A HIV-1 gp41 derived peptide. The sequence of this peptide corresponds to the C-terminus of the ectodomain of gp41." . "The sequence of this peptide corresponds to amino acids 190 –205 of glycoprotein G-2." . "From the bacterium E.coli" . "From the bacterium L. monocytogenes" . "From the bacterium L. monocytogenes" . "L-826266 and are similar, except L-826266 has a Cl-group and does not." . "6-n-octylaminouracil is a lipid-mimetic structure that acts as a synthetic GPR84 agonist ." . "MRE-269 is the active metabolite of the approved drug . MRE-269 behaves as a partial agonist in cAMP assays ." . "Normally used as the sodium salt." . "This compound is a human EP4 receptor selective antagonist." . "Grapiprant is a potent and selective antagonist of the prostaglandin EP4 receptor ." . "Forms homodimeric ligand IL-17F and heterodimer IL-17A/IL-17F with IL-17A." . "Heterodimeric ligand." . "IL-17C is an IL-17 homolog, secreted by epithelial cells in response to bacterial challenge and inflammatory stimuli and that acts in an autocrine manner to control the innate epithelial immune responses necessary for regulating intestinal inflammation and barrier function ." . "IL-25 shares sequence similarity with IL-17 family proteins, and shares the IL17RB cytokine receptor with IL-17B." . "IL-17B is a proinflammatory homolog of IL-17 expressed at very high levels in spinal cord (primarily localizing to neuronal cell bodies and axons) and at lower levels in trachea, prostate, lung, small intestine, testes, adrenal, and pancreas , and acting on a restricted set of target cells (IL-17B receptor expression is restricted to human kidney, pancreas, liver, brain, and intestines )." . "A recombinant, non-glycosylated version of this protein is marketed as rheumatoid arthritis drug ." . "IL-36 receptor antagonist is also known as IL-36RA or IL36RN, the latter being the gene symbol. It acts by antagonising the binding of IL-36α, β and γ to interleukin 1 receptor like 2 (IL1RL2) which is the ligand binding component of the functional IL-36 receptor.

Abnormailites in the IL36RN gene that produce mutated IL-36RA protein structures with compromised function have been identified as a cause of unregulated inflammatory cytokine secretion which drives the repeated inflammatory episodes that characterise the life-threatening condition, generalized pustular psoriasis . Where abnormal IL-36RA underlies generalized pustular psoriasis the condition can be referred to as DITRA (deficiency of interleukin 36 antagonist). DITRA has been identified as the cause of other pustular phenotypes, that have emerged as variants of pustular psoriasis . An antibody that mimics IL-36RA's antagonist activity at the IL-36 receptor (MAB92) has been described . MAB92 inhibits proinflammatory cytokine production in primary human keratinocytes and dermal fibroblasts in vitro." . "IL-33 is a pleiotropic IL-1 family cytokine that can both promote type 2 inflammation and also drive immunoregulation through expansion of Foxp3+Treg cells. The outcomes of IL-33 activity appear to depend on the cells that produce it, either myeloid dendritic cells (DC) or epithelial cells . DC-derived IL-33 supports Treg cells. The main cellular targets of IL-33 are innate lymphoid cells type 2 (ILC2), involved in the initiation of the type 2 immune response (secretion of IL-5 and IL-13) during parasitic infection and allergic diseases such as asthma. Full length IL-33 is cleaved by mast cell chymase (chymase 1; CMA1) to produce its significantly more active form .

The ST2/IL-33 axis is recognised as playing an important role in the development/exacerbation of IgE-dependent inflammations such as asthma and atopic dermatitis , and received much interest from the pharmaceutical industry. Blockade of IL-33 activity (and/or its receptor ST2) represent potential novel mechanisms for pharmaceutical intervention to suppress allergy and mast cell-eosinophil interplay. Indeed, astegolimab (RG6149/AMG 282) is an example of a fully human anti-IL-33 monoclonal antibody, that was developed as a potential therapy for mild atopic asthma and chronic rhinosinusitis. Unfortunalely, in common with other anti-IL-33 leads, RG6149 failed to deliver clinical efficacy in these indications." . "IL-36α, IL-36β, IL-36γ, and IL-36 receptor antagonist form the IL-36 group of cytokines and are a subset of the IL-1 cytokine family. IL-36α, IL-36β, IL-36γ are agonists of the IL-36 receptor complex (IL1RL2/IL1R-rp2/IL-36 receptor) and activate NF-κB and MAP kinase pathways inducing a pro-inflammatory response. The IL-36 receptor antagonist as its name suggests antagonises signalling by the IL-36 receptor agonists to reduce their pro-inflammatory function." . "IL-36β is a proinflammatory cytokine." . "IL-36γ is a proinflammatory cytokine." . "Lorazepam is used for the short-term management of severe anxiety. where it is thought to have a high affinity for GABA receptors. In March of 2016 it has also been reported as a GPR68 surrogate allosteric ligand ." . "Lifibrol is a model compound being investigated in the development of novel pharmacotherapies for dyslipidaemia . The compoound appears to be a cholesterol synthesis inhibitor.
The INN document for lifibrol specifies that it is a racemic mixture of two enatiomers. We do not specify stereochemistry in our structure therefore this entry represents the mixture." . "Hymeglusin is a fungal beta-lactone. It irreversibly inhibits cytosolic 3-hydroxy-3-methylglutaryl coenzyme A (HMG-CoA) synthase activity" . "Cabozantinib is a Type-1, oral, small-molecule tyrosine kinase inhibitor.
Marketed formulations contain cabozantinib S-malate (PubChem CID 25102846)." . "Everolimus is a Type-3 kinase inhibitor and it was first approved by the FDA in 2009. There is some ambiguity in the literature as to the exact stereochemistry of everolimus. The structure shown here matches that in the Pubchem entry listed in the Database Links table. Other common representations include CID 46930999, CID 70789204 and CID 16211121." . "Ponatinib is a Type-1 kinase inhibitor. It is a third generation BCR-Abl inhibitor. Use of ponatinib is subject to additional monitoring due to the observed serious risk of liver problems or blood clots (including heart attack and stroke, collectively referred to as arterial occlusive events, or AOEs). Final 5-year results of safety and efficacy in Ph+ leukemia as evaluated in NCT01207440 are reported by Cortes et al. (2018) .
Marketed formulations contain ponatinib hydrochloride (PubChem CID 46908927).
Ponatinib has also been reported as a dual inhibitor of RIPK1 and RIPK3 which inhibits experimental models of RIPK1- and RIPK3-dependent cell death (necroptosis) . On the basis of these findings, hybrid ponatinib/ (a RIPK1 and IDO inhibitor) were designed and tested for potential to target RIPK1- and RIPK3-driven inflammatory pathologies." . "Regorafenib is an inhibitor of multiple membrane-bound and intracellular kinases. Although the drug is approved it must carry a Boxed Warning alerting patients and clinicians that severe and fatal liver toxicity was observed in some patients in regorafenib clinical studies. Regorafenib is a Type-2 kinase inhibitor." . "Temsirolimus is a Type-3 kinase inhibitor and was first approved by the FDA in 2007. There is some ambiguity in the literature surrounding the exact stereochemistry of temsirolimus. Other common representations are CID 23724530, CID 24847874 and CID 9876533. Our representation and the PubChem and ChEMBL links in the table above show a structure identical to that contained in the INN record for this drug." . "Vemurafenib is a Type-2 kinase inhibitor and was first approved by the FDA in 2011." . "A synthetic glucocorticoid." . "26RFa is an orexigenic neuropeptide . It is an endogenous agonist of the pyroglutamylated RFamide peptide receptor QRFPR (formerly known as GPR103)." . "From the venom gland of the black widow spider (Latrodectus mactans tredecimguttatus)" . "Insertion mutant of α-latrotoxin, from black widow spider venom" . "Lasso was identified as a a splice variant of rat teneurin 2 (UniProt ID: Q9R1K2) . The length and sequence of this peptide is not specified by the reference describing it." . "AG 1024 is a selective inhibitor of IGF1R (Insulin-like growth factor I receptor) and inhibits insulin-stimulated cellular proliferation ." . "AG 112 is a tyrphostin compound that acts as an inhibitor of the epidermal growth factor receptor (EGFR) tyrosine kinase. AG 112 is compound 48 in ." . "AG 1295 is a cell-permeable, reversible, ATP-competitive, and selective inhibitor of platelet-derived growth factor receptor (PDGFR) tyrosine kinase ." . "AG 1296 is a potent and selective inhibitor of PDGF receptor kinase ." . "Tyrphostin AG 490 is an inhibitor of the epidermal growth factor receptor (EGFR) tyrosine kinase. Its discovery is reported in where it is compound 44(-).." . "This is compound 1 in ." . "This is compound 13 in .
AGL 2043 is a potent, reversible, ATP-competitive inhibitor of type III receptor tyrosine kinases (PDGFR, CSFR, Kit, FLT3 receptor family)." . "KU-55933 is a potent and selective inhibitor of the ataxia-telangiectasia mutated (ATM) kinase , used to investigate the DNA damage repair response, particularly in relation to exploiting this pathway to discover novel cancer therapeutics." . "This is compound 5233705 in (this is its ChemBridge reference). It was originally reported to be an AKT (protein kinase B) inhibitor . However, the primary molecular target(s) of this compound have not been clearly identified, and its action may involve activation of the PDK1 kinase upstream of AKT, modulation of mTORC2 or targets outside of the PI3-kinase/AKT pathway .
PI3-kinase/AKT pathway inhibitors are under investigation as anticancer and antiviral agents." . "The ligand image above represents this compound as used in the screens listed, and does not specify stereochemistry. The INN-assigned compound triciribine does have defined stereocentres and is represented by CID 65399.
Triciribine is an inhibitor of Akt signalling , HIV-1/2 , DNA synthesis and exhibits in vitro and in vivo antitumour effects ." . "Akt Inhibitor VIII (compound 16h ) is a cell-permeable quinoxaline compound that has been shown to potently, selectively, allosterically, and reversibly inhibit Akt (protein kinase B), with selectivity for Akt1/2 over Akt3 ." . "This is compound 10B in which describes its actions as an Akt (aka protein kinase B) inhibitor.
This compound is a derivative. Thioridazine is a well known antipsychotic that acts as an antagonist of dopamine receptor activity. The compound also inhibits the kinase activity of Pim-1 and X-ray crystallography shows the compound binding to the Pim-1 pharmacophore." . "Aloisine A has inhibitory effect for several CDK and GSK kinases . Please note that ChEMBL and DrugBank represent this compound at a tautomer of our structure." . "JNJ-7706621 was originally identified as a pan-CDK and Aurora A/B kinase inhibitor . JNJ-7706621 binding to the pseudo (JH2) kinase domain of Janus kinase 2 has been reported more recently . This mechanism of JAK inhibition is viewed as offering a potentially novel pharmacological modality as an alternative to targeting the active kinase (JH1) domain and its ATP binding pocket." . "AZD1480 is a novel ATP-competitive inhibitor of JAK1 and JAK2 . This compound is included in AstaZeneca's Open Innovation Pharmacology Toolbox." . "BAY 11-7082 has long been reported as a NF-κB inhibitor, which inhibits TNFα-induced IκBα phosphorylation (IC50 10μM) . However, an alternative report suggests that BAY 11-7082 reduces the activation of IκB kinases by targeting components of the ubiquitin system, and that this is responsible for its anti-inflammatory effects and induction of B-cell lymphoma and leukaemic T-cell death" . "GNF-2 is a highly selective non-ATP competitive inhibitor of Bcr-Abl . It acts as a negative allosteric modulator, binding to a site distant from the ATP pocket." . "Nintedanib is a kinase inhibitor, targeting three arms of proangiogenic signalling via VEGFRs, PDGFR and FGFR . It was developed by Boehringer Ingelheim.
Marketed formulations contain nintedanib esylate (PubChem CID 135476717)." . "This compound inhibits both isoforms of PKCβ ." . "BPIQ-I is a cell-permeable, reversible, ATP-competitive, potent and specific inhibitor of the tyrosine kinase activity of the epidermal growth factor receptor (EGFR) ." . "A cell-permeant, small molecule inhibitor of protein kinase CK1 . Exhibits in vitro and cellular selectivity for CK1-induced phosphorylation events. D4476 is a useful tool for identifying phosphorylation targets of CK1. Also acts as a transforming growth factor beta receptor 1 inhibitor." . "TBCA is a selective, cell-permeable inhibitor of casein kinase 2 (CK2) and has minimal effect on a panel of 28 other kinases ." . "Please note that ChEMBL represents this compound as a tautomer of our structure." . "CGP74514A was originally reported as a CDK1 inhibitor , however later studies have identified more potent inhibitory activity against CDK2 and CDK5 and at least some inhibition of CDKs 4, 7 and 9 . This latter experimental evidence suggests that researchers should consider CGP74514A as a pan-CDK inhibitor, in acknowledgement of its promiscuous selectivity profile." . "This compound is a highly cell-permeable purine compound that acts as an ATP-competitive inhibitor of cyclin dependent kinases (CDKs). In vitro assays show that it is 36-fold selective for CDK2 compared to other CDKs tested , however users should be aware that it also potently inhibits Aurora kinases A and B ." . "This is compound 25 in ." . "NSC 625987 was originally reported as a cyclin-dependent kinase 4 (CDK4) inhibitor, with >500-fold selectivity compared to CDK2 (IC50 >100 μM for cdc2/cyclin A, CDK2/cyclin A and CDK2/cyclin E) . However, kinase profiling results reported by Jorda et al. (2018) found that no kinases tested were >50% inhibited by 10 μM NSC 625987 . In addition, these authors found no evidence of CDK4 inhibition in cellular assays. Therefore, caution is advised when choosing CDK4 pharmacological tools." . "CDK4 inhibitor III (ryuvidine), as its name suggests was originally reported as a selective inhibitor of CDK4, albeit a weak inhibitor . However, to date (October 2018) there is no published data showing cellular inhibition of CDK4 by this compound, but some evidence of action at another target(s) that regulates the S phase of the cell cycle has been reported . This latter effect may be due to CDK4 inhibitor III-induced inhibition of the lysine methyltransferase SETD8 ." . "Chelerythrine is a potent, selective, and cell-permeable protein kinase C inhibitor." . "This compound inhibits diacylglycerol kinase activity ." . "This is compound 102 in ." . "This is compound 4 in . This compound binds within the ATP pocket of the kinase." . "NU-7026 is a potent and selective, ATP-competitive inhibitor of DNA-dependent protein kinase (DNA-PK) ." . "Dovitinib is a multi-targeted receptor tyrosine kinase (RTK) inhibitor, with modest selectivity for Class III RTKs (IC50s 1-2nM), with IC50s for Class IV and V RTKs in the 8-13nM range. Please note that ChEMBL represents this compound as a tautomer of our structure." . "This compound is a cell-permeable, potent, reversible, and ATP-competitive inhibitor of EGFR and ERBB2 ." . "FR180204 is a potent cell-permeable inhibitor of ERK1 and ERK2. It is much less effective against p38 MAPKα and does not inhibit a range of other serine/threonine or tyrosine kinases ." . "This is compound 89 in where it is described as an ATP-independent inhibitor of ERK1/2, which blocks substrate binding." . "Fascaplysin is a selective CDK4/cyclin D1 inhibitor . The compound binds to the ATP pocket of the kinase." . "This compound is an ATP competitive inhibitor of classical type PKC isoenzymes." . "This is compound 7a in . It is a synthetic analogue of 6-bromoindirubin isolated from the Mediterranean mollusc Hexaplex trunculus ." . "Please note that ChEMBL represents this compound as a tautomer of our structure." . "This is compound 3 in ." . "Using the code TDZD-8, this compound is used as a reference compound in . TDZD-8 is the first reported non-ATP competitive GSK-3β inhibitor , with positive effects on glucose homeostasis in obese mice . It is a thiadiazolidinone type compound." . "This is compound 12 in ." . "This is an experimental cell-permeable, ATP-competitive inhibitor of glycogen synthase kinase-3β (GSK-3β) ." . "Isogranulatimide inhibits the enzymatic activity of Chk1 and GSK-3β tyrosine kinases . It is an ATP-competitive inhibitor with potent and reversible activity." . "The discovery of this compound as a glycogen synthase kinase-3β (GSK-3β) inhibitor is described in ." . "The synthesis and discovery of this compound is described in where it is compound 33." . "GTP-14564 is a reversible, and ATP-competitive inhibitor of class III receptor tyrosine kinases ." . "H-89 is an inhibitor of protein kinase A (PKA) ." . "Herbimycin A is a Streptomyces-derived cell-permeable inhibitor of non-receptor tyrosine kinases .
As with other natural products, there is ambiguity in the precise stereochemisrty presented across web resources eg PubChem CID 6436247 shows an alternate structure." . "IC261 inhibits the activity of casein kinase 1 in an ATP-competitive manner, and is selective for the 1δ and 1ε isoforms of the enzyme." . "This compound is an inhibitor of IKKβ (IKK2) ." . "This compound is an inhibitor of PKR tyrosine kinase . It is compound 2 in this article, although we represent a tautomer. Please note that an alternative tautomer is represented on ChEMBL." . "Indirubin-3'-monoxime is a potent inhibitor of GSK-3β . Please note that ChEMBL represents this compound as a tautomer of our structure." . "This is compound 46 in ." . "This is compound 7 in , and is also known as ZM39923. It was originally identified as an ATP-binding site inhibitor of JAK3 , but has additionally been reported to inhibit transglutaminase 2 (TGM2) with nanomolar potency in vitro ." . "May be used experimentally in the methanesulfonic acid form which has PubChem CID 16760524." . "Selective inhibitor of JNK2 and JNK3." . "This is compound 59 in ." . "This is compound 6o in ." . "Kenpaullone is an ATP-competitive inhibitor of several cyclin-dependent kinases (CDKs) and glycogen synthase kinase 3β (GSK-3β) ." . "The details of the screens using this compound specify that the non-isomeric form shown above was used. The commercially available compound is generally the stereoisomer shown in our record with ." . "KN-93 is a selective inhibitor of Ca2+/calmodulin-dependent kinase type II (CaMKII). It was a preclinical lead compound." . "LY 294002 is a selective phosphatidylinositol 3-kinase (PI3K) inhibitor , with preference for PI3Kα/δ/β. LY 294002 has also been reported to interact with the unrelated BET bromodomain proteins BRD2, BRD3, and BRD4 ." . "This is compound 52 in ." . "LY 303511 is used as a negative control in the kinase screens referenced above." . "This is compound 41 in ." . "Mubritinib is a reversible inhibitor of EGFR and HER2. This compound is a Phase I clinical candidate." . "This compound potently inhibits nuclear factor-κB (NFκB) activation and LPS-induced TNFα production . Its discovery is reported in where it is compound 11q." . "Please note that ChEMBL represents this compound as a tautomer of our structure." . "This is compound 7e in ." . "This is the second compound of the C series in (see Table 2)." . "PD 169316 is a selective inhibitor of p38 MAPK" . "This is compound 1a in ." . "This is compound 17 in ." . "This is compound 2 in ." . "This compound is a mixture of tautomers (KP372-1A and KP372-1B), present in almost equal amounts. Our image shows the structure of KP372-1B.
This compound has been shown to directly inhibit both PDK1 and Akt activities in in vitro kinase assays in a dose-dependent manner and block cellular phosphorylation of Akt at both Ser473 and Thr308 residues ." . "This is compound 16 in which has been shown to be an ATP competitive inhibitor blocking autophosphorylation of PKR.
Double-stranded RNA-activated protein kinase (PKR) is also known as eukaryotic initiation factor 2 subunit α (eIF2α)." . "This compound is a potent inhibitor of several mutant kinase enzymes . Also inhibits Src family kinases and c-Abl." . "PP3 is an inactive analogue of the Src tyrosine kinase inhibitor ." . "Purvalanol A is a cyclin-dependent kinase (CDK) inhibitor ." . "Sirolimus is a macrolide produced by the bacteria Streptomyces hygroscopicus. It has potent immunosuppressive and antiproliferative properties. Sirolimus is classified as a Type IV allosteric kinase inhibitor ." . "This compound is a cell-permeable, ATP-competitive inhibitor of Rho kinase activity ." . "This is compound 18 in . It is a selective and potent Rho kinase inhibitor" . "Ro-32-0432 is a cell-permeable selective inhibitor of protein kinase C (PKC)." . "Seliciclib inhibits cyclin-dependent kinases (CDKs) 2, 7 and 9." . "SB 202474 is an inactive analogue of the p38 MAPK inhibitors and ." . "SB 218078 inhibits activity of checkpoint kinase 1 (CHK1). It is compound 10 in and was originally described as a PKC inhibitor." . "SB220025 cell-permeable, potent, reversible, ATP-competitive, and specific inhibitor of human p38 MAP kinases ." . "SC-68376 is a potent, reversible, cell-permeable, ATP-competitive, and selective inhibitor of p38 MAP kinase ." . "This compound is often used as its terutroban monosodium salt (CAS Registry Number: 609340-89-8)." . "SKF-86002 is a potent inhibitor of p38 MAPK." . "The discovery of this selective sphingosine kinase inhibitor is described in , where it is called compound II.
The above article cites for the creation of the human sphingosine kinase protein used in their kinase assay. BLAST searches using the accession numbers in this article indicate the kinase assay was performed using the SPHK1 isozyme. SKI II exhibits some selectivity toward SK2 as a kinase inhibitor (Ki for SK2 = 7.9 μM vs. SK1 = 16 μM) . It is a more powerful promoter of SK1-degradation than of SK2-degradation ." . "This compound is used as a Src inhibitor, but it also has potent inhibitory action against the serine/threonine kinase RIPK2 ( receptor-interacting serine-threonine kinase 2) ." . "SU11652 is a cell-permeable compound that acts as a potent, reversible, and ATP-competitive tyrosine kinase receptor inhibitor. The synthesis and discovery of this compound is decribed in , where it is compound 12c." . "SU6656 is an inhbitor of Src family kinases." . "SU9516 is a potent inhibitor of several cyclin-dependent kinases (CDKs) with reported selectivity for CDK2 . Later analysis of SU9516's selectivity profile indicates a similar level of potency as an inhibitor of CDK5/p25 compared to CDK2 . Inhibition of CDK5 was confirmed in a cellular assay measuring dephosphorylation of pFAK(S732). SU9516 also arrests cells at the G2/M phase in cells lacking CDK2, in which case it must be causing the cell cycle arrest via inhibition of CDK1 ." . "This is compound 2 in ." . "This is compound 3 in and compound 9a in the original article by Hisamichi et al. (2005) ." . "This is compound 1 (SB-505124) in . It is a selective inhibitor of TGF-βRI, ALK4 and ALK7." . "Selective inhibitor of TGF-βRI" . "Tpl2 is a synonym of the human MAP3K8 (mitogen-activated protein kinase kinase kinase 8) gene." . "This is compound 48 in ." . "This is compound 4b in . This paper refers to for the method used for the kinase assay. However, this referenced article does not make clear which species isozymes were used in the experiments. We have mapped the associated data with the human VEGFR2." . "This is compound 3 in ." . "This is compound 10 in . The article does not clearly indicate the speciesused to derive the VEGFR2 protein used in the kinase assays. We map this data to the human protein." . "Tivozanib is an oral VEGF receptor tyrosine kinase inhibitor." . "VX-702 is a third generation Investigational oral p38 MAP kinase Inhibitor ." . "Wortmannin is extracted from Penicillium funiculosum. The compound is a specific, covalent inhibitor of phosphoinositide 3-kinases (PI3Ks)." . "Marketed formulations contain clemastine hydrogen fumarate (PubChem CID 5281069)." . "This endogenous peptide is a fragment of angiotensin and can be formed from ang-(1-7) in the heart ." . "This endogenous peptide is a fragment of the precursor prosaposin (also known as sulfated glycoprotein-1)." . "Note that Clark et al (2008, PMID:18287210) depict this compound as a chloride salt." . "PCA 4248 is a PAF receptor antagonist." . "The amino acid sequences of human, mouse, rat and porcine galanin are identical from positions 1-15." . "A synthetic fragment of endogenous porcine peptide galanin" . "Galparan is a 27-amino acid long chimeric peptide comprising galanin-(1-13) linked to mastoparan (wasp venom) amide." . "Galparan is a 27-amino acid long chimeric peptide comprising galanin-(1-13) linked to mastoparan (wasp venom) amide." . "Galparan is a 27-amino acid long chimeric peptide comprising galanin-(1-13) linked to mastoparan (wasp venom) amide." . "M242 is a chimeric peptide comprising galanin(1–13) linked to [d-Trp32]-neuropeptide Y(25–36)-amide." . "Chimeric peptide comprising galanin(1-13) connected via Gln14 to bradykinin(2-9)-amide." . "Synthetic peptide built around galanin(2-13) core: (RG)(2)-N-galanin(2-13)-VL-(P)(3)-(AL)(2)-A-amide" . "Please note that in the article describing its design and discovery galnon is shown as being non-isomeric . This non-isomeric structure is also represented by CID 9961490." . "Drawn as described by Bartfai et al. (2004) ." . "Alarin is a splice variant of GALP. This variant excludes exon 3 and results in a frame shift leading to a stop codon after 49 amino acids. The C terminal 25 amino acids are predicted to constitute the fully processed, mature peptide ." . "This compound is represented on ChEMBL by the entry CHEMBL210288 which specified stereochemistry around the double bond." . "Absolute stereochemistry unknown. Represented here as drawn in ." . "Forms a homotrimeric structure." . "Forms a homotrimeric structure" . "IL-37 is an anti-inflammatory cytokine of the innate immune system." . "IL-27 is an IL-12 family cytokine. It is a heterodimeric cytokine that contains an α and a β subunit and is expressed by activated antigen presenting cells . IL-27 interaction with its receptor complex activates the JAK/STAT and p38 MAPK pathways." . "This is one of the subunits of biologically active ." . "This is one of the subunits of biologically active ." . "BIIL 260 is a leukotriene B4 (BLT1) receptor antagonist and is the active metabolite of the prodrug BIIL 284 (amelubant)." . "CP-195543 (CP-195,543) is a leukotriene B4 receptor antagonist for the treatment of inflammatory diseases. It is the follow-up compound to whose development was discontinued due to unfavourable pharmacodynamic properties. Preclinical pharmacology for CP-195543 is reported by Showell et al. (1998) ." . "Compound isolated from Phyllomedusa rohdei (a Brazilian leaf frog) ." . "Peptide identified in Sauvage's leaf frog (Phyllomedusa sauvagei)." . "Peptide identified in Sauvage's leaf frog (Phyllomedusa sauvagei)." . "This compound is represented here without its trifluoroacatate salt. Image redrawn from the illustration contained in Supplemental Materials of the conceptual article ." . "Synthetic analogue of natural peptide bombesin. This compound is represented here without its trifluoroacetate salt." . "MM54 is an apelin receptor antagonist. It has been to suppress tumour growth and increase survival in an intracranial xenograft mouse model of glioblastoma ." . "This is a mix of stereoisomers; see discussion on analogue 34 in ." . "Verlukast (MK-679) is a potent CysLT1 (LTD4) receptor inverse agonist; also MRP1 inhibitor. It is the (R)-enantiomer of . Be aware of the confusion caused by incorrectly using MK-571 as a synonym for verlukast that has arisen in online resources." . "The position of the radiolabelled hydrogen is unknown." . "Radiolabelled analogue of human annexin-I-(2-26). The labelled amino acid is the tyrosine residue at position 20." . "ADX71743 is a negative allosteric modulator (NAM) of mGlu7 ." . "This is a 17R-epimer of (RvD1) that is a useful research tool as it shows delayed enzymatic degradation compared to the endogenous 17S-epimer." . "MMK-1 is a potent and selective ALX/FPR2 agonist." . "recombinant human serum amyloid A" . "PrP106-126 is a fragment of human prion protein that is present in biological samples. It has been shown to act as an agonist at the human FPR2/ALX GPCR." . "From the N-terminal heptad repeat region of HIV-gp41" . "Corresponds to amino acid residues 414-434 in the V4-C4 region of HIV-1 gp120 (strain Bru) ." . "Synthetic cleaved form of urokinase-type plasminogen activator (uPa) (see Uniprot: P00749)" . "N-terminally truncated from of CCL23 (see Uniprot: P55773)." . "Until recently it was not definitively known if cyclic CMP occurs in vivo. However, a report and study published in January 2015 and May 2015 respectively, suggest that cyclic CMP may be a bona fide second messenger in mammalian cells ." . "EC18 selectively blocks HCN4 channel currents. Its power to discriminate between HCN channel isoforms makes it an ideal chemical probe to stiudy the physiological and pathological roles of HCN4 channel currents in cells and tissues ." . "From S.aureus" . "CRAMP is the mouse orthologue of human cathelicidin/. It is an endogenously produced antimicrobial protein." . "From S.aureus" . "4-Hydroxynonenal is an α,β-unsaturated hydroxyalkenal that is produced by lipid peroxidation in cells, particularly by cells that are under stress." . "The sequence of this peptide is the 18 amino acids from the N-terminal of human CCL23" . "This compound is often represented in an ionised form , with a +ve charge on the sodium and -ve charge on the hydrogen sulphide." . "Methylglyoxal is a reduced derivative of pyruvic acid. It occurs naturally, and at increased levels in diabetics as a result of their increased blood glucose levels." . "Salirasib (trans-farnesylthiosalicylic acid) is an investigational small molecule which indirectly inhibits RAS protein activity. It is a salicylic acid derivative with potential antineoplastic activity." . "Sitagliptin is a dipeptidyl peptidase 4 (DPP4) inhibitor. Marketed formulations may contain sitagliptin phosphate monohydrate (PubChem CID 11591741)." . "Citronellal is a plant monoterpenoid, responsible for the lemon scent of citronella oil." . "Note that other isomers of this compound exist." . "Auranofin is a gold-containing complex, antirheumatic agent." . "Vildagliptin is a dipeptidyl peptidase-4 (DPP-4) inhibitor class anti-diabetic drug." . "Synthetic analogue of apelin" . "Synthetic analogue of apelin" . "Synthetic analogue of apelin" . "ML233 is a small molecule apelin receptor agonist." . "The USAN refers to the monohydrate. Note that marketed formulations may contain saxagliptin hydrochloride PubChem CID 49800073." . "Linagliptin is a once-daily, oral dipeptidyl peptidase-4 (DPP-4) inhibitor class anti-diabetic drug." . "Alogliptin is a once-daily, oral dipeptidyl peptidase-4 (DPP-4) inhibitor class anti-diabetic drug." . "Pro-drug for elanoprilat" . "Tranilast is an anti-allergic drug, with a complex mechanism of action , and potential antiproliferative activity ." . "The location of the radiolabelled hydrogen atom was not specified by the suppliers of this compound." . "The position of the radiolabelled hydrogen atom is not specified by the supplier of this compound." . "Active metabolite of enalapril prodrug. There are 15 stereo forms in PubChem. Enalaprilat is known as an ACE inhibitor." . "There is some ambiguity in the reference as to the exact stereochemistry of this ligand. Please see reference for an image representing the structure." . "Pro-drug, transformed in the liver to its active metabolite (drug) ramiprilat" . "Generated in the liver from metabolic transformation of the pro-drug ramapril" . "Quinapril is a pro-drug, converted to its active metabolite, quinaprilat, in the liver.
Marketed formulations may contain quinapril hydrochloride (PubChem CID 54891)." . "The drug resulting from the metabolism of the pro-drug quinapril" . "From the soft coral Sarcothelia edmondsoni. Note that CAS registry number 95230-65-2 relates to the 'flat' molecule with no stereochemistry indicated." . "Lisinopril was the third ACE inhibitor (after and ) to be approved for clinical use. Chemically it is the lysine analogue of enalapril. Unlike other ACE inhibitors, it is not a prodrug and is excreted unchanged in the urine." . "Prodrug metabolically converted to the drug perindoprilat. Perindopril erbumine [USAN] aka perindopril tert-butylamine, is PubChem CID 441313." . "This is the active metabolite (drug) of the prodrug perindopril" . "Benazepril (an ACE inhibitor) is administered as an ester is a prodrug, which is metabolized by the liver into its active form ." . "This is the active metabolite (drug) of the prodrug benazepril" . "Imidapril is an ACE inhibitor, administered as a prodrug which is then metabolised to the active form, imidaprilat." . "This drug is produced as the active metabolite of the prodrug imidapril" . "Prodrug metabolised to the active drug dabigatran.
Marketed formulations contain dabigatran etexilate mesilate (PubChem CID 10439877)." . "Note that the Wikipedia entry refers to the prodrug." . "Ximelagatran is a prodrug of the active prothrombin inhibitor melagatran. Applications for approval of ximelagatran were withdrawn in 2006." . "Active metabolite (drug) from the prodrug ximelagatran" . "Prescription is by the INN argatroban as there are no brand names. The INN-assigned compound consists of two epimers, and the version we show here matches the structure and stereochemistry in the INN document but does not specify the epimer. One of the epimers is listed on PubChem as CID 152951." . "ML-SA1 activates the ion channel activity of TRPML1 and TRPML3 in mouse, and all three human TRPML isoforms ." . "The position of the tritiated hydrogen atom in this radiolabelled ligand is unspecified by the reference." . "CTEP is a negative allosteric modulator (NAM) of the glutamate metabotropic receptor 5 (mGlu5) GPCR . Structurally, CTEP and and are analogues. CTEP has a notably longer half-life in rodents (49 hours) than basimglurant (~10 hours), so is better suited for rodents studies requiring chronic exposure/treatment." . "First in class orally active direct factor Xa inhibitor." . "Apixaban belongs to the direct factor Xa inhibitor family of drugs, which also includes and ." . "Bortezomib is a dipeptide (Phe-Leu), with a pyrazinoic acid protecting the N-terminus and a boronic acid replacing the C-terminal carboxylic acid. The boron atom is believed to interact with and inactivate the catalytic site on β subunits which form the active core of the proteasome, preferentially binding β5 active site . Bortezomib is the first-in-class proteasome inhibitor to be approved for clinical use.
Proteasome activity is reviewed in .

The compound also has antimalarial activity. The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Natural extract of the vanilla bean, now also available as a synthetic compound." . "Publications and data are also linked to the camostat mesilate salt (PubChem CID 5284360). There is an active metabolite reported as FOY 251 but this also maps to the mesylate salt (PubChem CID 130394), with the parent compound being PubChem CID 130395

SARS-CoV-2 and COVID-19: Inhibition of TMPRSS2 partially blocks entry of SARS-CoV-2 into Caco-2 cells , a result which indicates an opportunity for repurposing this already approved drug for COVID-19. Complete blockade of SARS-CoV-2 entry can be achieved by combined inhibition of TMPRSS2 (by camostat) and the endosomal cysteine proteases cathepsins B and L (by ; E-64d). In August 2020 Edinburgh University, the CRUK's Centre for Drug Development and Latus Therapeutics began the Phase 2/3 SPIKE-1 trial (NCT04455815) of camostat in non-hospitalised CoV-2 positive patients, to determine if the drug can reduce the progression of COVID-19 symptoms- access CRUK's trial webpage here." . "Some data is linked to salt forms eg sodium tetra hydrate (PubChem CID 23663985)." . "Metabolized to its biologically active diacid (drug) trandolaprilat in the liver." . "Active drug formed from the metabolism of prodrug fasidotril. Fasidotrilat has not been assigned an INN itself." . "Generated by metabolic conversion of the prodrug trandolapril" . "Fosinopril is a prodrug which is metabolised to the active drug fosinoprilat. Fosinopril belongs to the angiotensin-converting enzyme (ACE) inhibitor drug family. There is some ambiguity in the literature and on other resources as to the exact stereochemistry of fosinopril. The structure shown here matches that specified by the INN document." . "Fosinoprilat is the active drug produced by metabolism of the prodrug fosinopril." . "Desirudin is an anticoagulant. The drug is a recombinant form of hirudin (P01050), the salivary anticoagulant found in leeches." . "Cilazapril is a prodrug. It is metabolically converted to the drug cilazaprilat. Cilazapril does not appear to have marketing approval for human use in the US or EU, although national approval agencies may have granted marketing authorisation." . "BACE1 inhibitor for Alzheimer's disease" . "Active compound derived by metabolism of prodrug cilazapril. Technically this compound is not an approved drug, as the approved drug is administered as a prodrug which is then metabolised to this active form. We mark both the prodrug and active form as 'approved' for clarity. Note that the prodrug, cilazapril, does not appear to have marketing approval for human use in the US or EU, although individual countries may have approved use of this drug." . "Metabolised to the active from zofenoprilat. The United States Adopted Name (USAN) for this compound is zofenopril calcium (PubChem CID 3033690)." . "Drug from metabolism of zofenopril prodrug. Note the PDB ligand structure is for a different target, not ACE" . "Doxycycline is a tetracycline based antibacterial. It has been repurposed as a low-potency human metalloprotease inhibitor for periodontitis and is also used as an antimalarial therapy.
There are a number of salt forms in PubChem. The chemical structure we show here matches that of the consensus structure in PubChem, listed in the links table below. The DrugBank, ChEBI, ChEMBL and PDB entries for doxycycline show a different structure.
Doxycycline is one of the key access group antibacterials on the World Health Organization's Model List of Essential Medicines (link provided in the Classification table, under the Summary tab below).

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Drug produced by metabolism of candoxatril prodrug. This ligand is represented in PubChem by the entry CID 443380." . "Cipemastat is a selective matrix metalloproteinase-1 inhibitor." . "Pralnacasan (VX-740) is a selective, non-peptide caspase 1 inhibitor that was developed by Vertex for anti-inflammatory potential. Inhibition of caspase 1 is a small molecule strategy developed as an alternative to the use of anti-IL-1β neutralising antibodies, such as , or the dimeric fusion protein that acts as a IL-1 trap.
Pralnacasan is a prodrug whose active metabolite is VRT-018858 ." . "This compound failed testing in Phase 3 clinical trials." . "Discontinued (not withdrawn). The drug is a recombinant form of hirudin, the salivary anticoagulant found in leeches (see UniProt P01050), but has two amino acid modifications; substitution of Leu1 for Ile and no sulfate group on Tyr63. The PubChem entry linked to above represents the chemical structure of Lepirudin." . "Bivalirudin is a peptide congener of hirudin, the naturally occurring anticoagulant found in the saliva of the medicinal leech Hirudo medicinalis." . "This ligand is represented in PubChem without chiral centres by CID 10245890." . "AZD9668 is a potent, selective and reversible inhibitor of human neutrophil elastase. It was developed as having the potential to be effective for neutrophil-driven inflammatory lung diseases, such as bronchiectasis and COPD . Since the phase II studies did not show clear efficacy for COPD this compound is now listed in the AstraZeneca Open Innovation Clinical Compound Bank for repurposing proposals.

There is ambiguity on PubChem in the assigned nomenclature and stuctures for this compound, as CID 71587812 has been incorrectly assigned alvelestat as a synonym." . "Mogamulizumab (KW-0761) is a CCR4-targeting mAb with enhanced antibody-dependent cellular cytotoxicity (ADCC) function. It is the only GPCR-targeting mAb on the market (in July 2017).
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "Odanacatib, a cathepsin K inhibitor, has clinically shown prevention of bone loss in osteoporosis. However, in Sept 2016 Merck ceased development because of an increased risk of stroke in the Phase 3 results (see the In the Pipeline commentary)" . "CXCL17 is a CXC family chemokine reported in human and rat, with a mucosal expression pattern." . "This is the prodrug of candoxitrilat. This ligand is represented in PubChem by the entry CID 5362417." . "Chymase inhibitor" . "Apratastat (TMI-005) is an orally active dual TACE (ADAM17)/MMP13 inhibitor that was developed for the potential treatment of inflammation . TACE = TNF α-converting enzyme, which is a well validated therapeutic target for the treatment of rheumatoid arthritis. Inhibition of MMP13 (a peptidase that preferentially degrades type II collagen and aggrecan) is relevant since this is predicted to prevent the degradation of cartilage in rheumatoid arthritis ." . "Fasiglifam is a positive allosteric modulator/partial agonist of the free fatty acid receptor 1 (FFA1, a.k.a. GPR40) . In the presence of endogenous free fatty acids (FFAs) fasiglifam enhances insulin secretion, by binding to an allosteric site distinct from the orthosteric FFA binding site. On its own, it elicits a low level of insulin secretion. These findings indicate that fasiglifam acts cooperatively with FFAs to promote insulin secretion." . "XMT-1191 is released from XMT-1107 congugate prodrug to a PMF polymer (hence no PubChem structure for XMT-1107)" . "Please note that this compound appears in the publication and on PubChem with IUPAC name 3-benzyl-4-(cyclopropyl-(4-(2,5-dichlorophenyl)thiazol-2-yl)amino)-4-oxobutanoic acid, which differs to the IUPAC name listed above." . "Avagacestat is an oral gamma-secretase inhibitor designed for the selective inhibition of A-beta generation relative to Notch substrates in the treatment of Alzheimer's Disease but Phase 2 data did not support advancement to Phase 3" . "Dabrafenib is a Type-1.5 kinase inhibitor." . "Trametinib is a Type-3 kinase inhibitor. Marketed formulations contain trametinib dimethyl sulfoxide (PubChem CID 50992434)." . "Upamostat (WX-671) is an oral serine protease inhibitor prodrug. Its principal molecular target is plasminogen activator, urokinase (uPA; PLAU) . The uPA system plays an important role in tumour invasion and metastasis. The active substance is WX-UK1." . "Drug from the prodrug . This compound has urokinase-type plasminogen activator inhbitory effect, but also inhibits other trypsin-like enzymes ." . "Prodrug of fasidotrilat, a combined ACE and NEP inhibitor. There is some ambiguity online as to the exact stereochemistry of fasidotril. Our structure is drawn from the INN document and matches that represented in the PubChem and ChEMBL entries linked to above." . "The position of the radiolabelled hydrogen atom in this compound is unspecified." . "Inhibitor of MMPs 2, 3, 9, 13, and 14 but most potent against 13" . "This compound is a prodrug for a dual endothelin converting enzyme/neutral endopeptidase inhibitor." . "Drug produced by metabolic conversion of daglutril prodrug" . "Emricasan is a pan caspase inhibitor. Its development as a treatment for nonalcoholic steatohepatitis (NASH) was unsuccessful." . "TNF alpha converting enzyme inhibitor" . "Azithromycin is a macrolide antibacterial with broad-spectrum activity against Gram-positive and atypical bacteria. The compound also has antimalarial activity.
Azithromycin is one of the watch group antibacterials in the the World Health Organization's Model List of Essential Medicines (link provided in the Classification table below).

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "This ligand entry also represents D-aspartate (CHEBI:29994), the carboxylate anion and salt form of the acid. It is in the aspartate form that the ligand is transported across cell membranes." . "Matrix metalloproteinase-9 inhibitor as potential antipsoriatic agent" . "Caspase 7 inhibitor." . "Europium-labelled analogue of endogenous mouse , with a heterodimeric structure consisting of the and ." . "Nωpropyl-L-arginine is a selective inhibitor of neural nitric oxide synthase (nNOS). It is a synthetic Nω-substituted-L-arginine analogue." . "MMP13 inhibitor" . "Caspase-3 inhibitor" . "Selective inhibitor of MMP3 (against 13 and 9)" . "This is the parent molecule of the ester prodrug FTI-277, which is the trifluoroacetate salt (PubChem CID 395753). The ester is designed to overcome the potential for thiol-based toxicity. FTI-276 is a peptidomimetic developed as a farnesyltransferase inhibitor (FTI) ." . "Probe for autophagic proteolysis" . "Prolyl peptidase inhibitor" . "CATL inhibitor. The Z stereoisoform is represented by CID 25234575." . "Potent and selective inhibitor of cathepsin B" . "Potent selctive inhibitor of cathepsin S" . "This compound is a potent and selective inhibitor of dipeptidyl-peptidase 8 (DPP8) ." . "Potent and selective plasmin inhibitor" . "DPP2 inhibitor as function probe" . "PubChem Confirmatory BioAssay for Sentrin-Specific Protease 8" . "BACE2 inhibitor from the patent WO2011020806 ." . "Cathepsin D inhibitor" . "Cathepsin G inhibitor" . "Urokinase-type plasminogen activator inhibitor" . "MMP8 and MMP2 inhibitor. Alternative stereo forms can be found in PubChem." . "PLAU inhibitor. Analogue of clinical candidate WX-UK1." . "Synthetic analogue of α-melanotropin." . "Leukotriene 4 hydrolase inhbitor" . "Factor 11 inhibitor" . "Compound 57 [PMID: 20121197] is a potent inhibitor of the serine protease activity of blood clotting factor IXa. Factor IXa inhibition is a novel mechanism with the potential to provide alternative effective anticoagulants for clinical use ." . "Factor 7 inhibitor. This compound is represented on ChEMBL without specified stereochemsitry by the entry CHEMBL206387." . "Factor 12 inhibitor" . "ACE2 inhibitor" . "ECE1 inhibitor" . "JNJ-10311795 is a chymase inhibitor with cathepsin G cross-reactivity. The isomer in CID 656932 is contained in PDB X-ray crystal structures . It is suggested to have potential clinical utility in pulmonary inflammatory diseases such as asthma and COPD." . "This compound is an inhibitor of furin and furin-like proprotein convertases ." . "Cathepsin E inhbitor" . "Found in cruciferous vegetables such as brocolli. It has potential chemopreventive , anti-cancer and neuroprotective actions . It may act as a quinone reductase inducer ." . "58 amino-acid residue inhibitor of plasmin and other proteolytic enzymes." . "ACE inhibitor prodrug metabolised to moexiprilat. This compound has hydrochloride database entries such as CID 54889 and nine isomers in PubChem." . "Moexiprilat is the in vivo formed, active form of the prodrug moexipril. Moexiprilat is an ACE inhibitor." . "This ligand is represented on PubChem without specified stereochemistry by CID 5526." . "Aminocaproic acid is a derivative of lysine." . "ACE inhibitor prodrug metabolised to spiraprilat" . "ACE inhibitor drug metobolically generated from spirapril prodrug" . "Riboflavin (vitamin B2) is a water-soluble vitamin that is required for the biosynthesis of flavin-derived enzyme cofactors that are essential for cellular respiration. Taken as a dietary supplement to combat vitamin B2 deficiency." . "H2L5186303 is a potent and selective LPA2 receptor antagonist ." . "From the venom of Macrovipera lebetina obtusa (Levant blunt-nosed viper). A potent and selective integrin α1β1 inhibitor." . "Sphinganine-1-phosphate is an endogenous bioactive lipid. It is produced from sphinganine in the presence of sphingosine kinase." . "Abciximab is a chimeric human-murine monoclonal antibody Fab (fragment antigen binding) fragment designed to target glycoprotein IIb/IIIa receptor, a key mediator of platelet aggregation and clot formation . The invention of abciximab is covered by patent US5976532 , where its originating antibody is coded c7E3." . "Eptifibatide is a synthetic cyclic hexapeptide inhibitor of the integrin αIIbβ3 protein complex." . "Tirofiban is a rapidly-active but short-acting glycoprotein IIb/IIIa inhibitor type antiplatelet drug." . "GR 144053 inhibits paltelet aggregation by binding to integrin αIIb/β3 , thereby preventing integrin binding to fibrinogen. The compound is orally actrive and long-acting.
Note that we show the parent molecule here, but the trihydrochloride salt may be used experimentally." . "G4120 is a synthetic Arg-Gly-Asp (RGD) containing peptide which potently inhibits platelet aggregation by antagonising fibrinogen binding to integrin αIIbβ3." . "Galectin 3 binding protein binds . The galectin 3 binding protein/galectin-3 interaction appears to play a critical role in venous thrombosis formation in animal models. In human patients, elevated circulating galectin-3 binding protein levels correlate with acute venous thrombosis ." . "Natalizumab was the first migration-inhibitory biological drug to be approved for inflammatory diseases.
Targeting cell migration-related molecules in immune conditions (and cancer) is regarded as a significant new focus for the development of novel anti-inflammatory therapeutics .
The design and synthesis of this antibody is described in , but the article is not open access." . "Potent inhibitor of the LFA-1/ICAM-1 interaction . LFA-1 (leukocyte function-associated antigen-1) is a beta2-integrin, and ICAM-1 (CD54) is an endothelial cell adhesion molecule." . "Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "Echistatin is a disintegrin derived from the venom of several viper species. The reference from which our biological activity data is from does not specify the exact form of echistatin used in their experiments. The sequence shown here represents the α1 isoform. Echistatin acts as an αVβ3 integrin and glycoprotein IIb/IIIa (αIIbβ3) inhibitor. Echistatin inhibits platelet aggregation , i.e. it has an anti-coagulant effect." . "Potent antagonist of the integrin αVβ3-vitronectin interaction with antiangiogenic action." . "This protein contains an immunoglobulin (Ig)-like domain that resembles the antibody variable domain, that has been coined the 'V-set domain'. The genes for all human V-set domain containing proteins are listed in HGNC gene group 590." . "Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "Cilengitide is a cyclic RGD pentapeptide, first-in-class integrin inhibitor. It inhibits integrin αv-induced angiogenesis. It was investigated for anti-tumour activity. Glioblastoma was one of the cancers investigated , based on encouraging preclinical studies in animals ." . "Physostigmine, originally isolated from the Calabar bean, is a parasympathomimetic alkaloid, acting as a reversible cholinesterase inhibitor (the enzyme responsible for the breakdown of acetylcholine in the synaptic cleft of the neuromuscular junction)." . "May be refered to as donepezil hydrochloride (PubChem CID 5741). In addition to the original brand, Aricept, generic donepezil formulations are now approved by the US FDA." . "Bambuterol has marketing approval in many countries but is not approved for sale in the US or UK." . "Marketed formulations may contain rivastigmine hydrogen tartrate (PubChem CID 14254240)." . "Gal-1 is a mammalian lectin that is active in the immune system. Its participation in the induction of self-tolerance suggests that any altered activity could lead to a failure to select out autoreactive cells, which may be relevant to autoimmune disease pathogenesis." . "Galectin 3 (Gal-3) is one of a group of 14 lectins that bind β-galactoside-containing carbohydrates, via a carbohydrate recognition domain (CRD), and it binds to . It plays regulatory functions in multiple biological processes, including cell-cell adhesion, cell-matrix interactions, macrophage activation, leukocyte migration, inflammation, angiogenesis, metastasis, apoptosis and fibrosis. Galectin 3 is being investigated as a molecular target for the development of novel therapeutics for cancer , cardiovascular disease and fibrosis (e.g. liver fibrosis in nonalcoholic fatty liver disease (NAFLD) and nonalcoholic steatohepatitis (NASH) ) . GM-MD-02 (Galectin Therapeutics) is a galactoarabino-rhamnogalacturonan polysaccharide polymer (pectin) that binds to Gal-3 (Kd 8 μM: Gal-1 Kd 10 μM)) and reduces inflammation and fibrosis-associated effects in experimental models , but no clinical efficacy was observed in Phase 2 evaluation in patients with NASH cirrhosis (NCT02462967), although in the subset of patients with cirrhosis who had no esophageal varices some clinical benefit has been indicated, and Phase 3 testing in this subset of cirrhosis patients is planned.
In relation to cardiovascular disease, galectin 3/galectin 3 binding protein complexes co-localize to the leukocyte/endothelial cell interface of vein walls in mice and galectin 3 increases vein wall IL-6 levels and promotes venous thrombosis . In human patients, elevated circulating galectin-3 binding protein correlates with acute venous thrombosis." . "PF-543 is a selective inhibitor of sphingosine kinase-1 . It is >100-fold selective for SphK1 over the SphK2 isoform." . "Opaganib (ABC294640) is an orally bioavailable sphingosine kinase 2-selective inhibitor that is being investigated for clinical antiproliferative efficacy in various cancers . The sphingosine kinases (SK1 and SK2) are key enzymes within the sphingolipid metabolism pathway that promote tumour growth and pathologic inflammation. Opaganib is being developed by RedHill Bio. In 2017 the FDA granted this compound orphan designation for the treatment of cholangiocarcinoma.

SARS-CoV-2 and COVID-19: A medRxiv preprint descibes the compassionate use of opaganib in a small cohort of patients with severe COVID-19 , predicated upon the drug's anti-inflammatory and anti-viral properties. The analysis indicated trends in favour of clinical efficacy which led to extended investigation in a Phase 2 randomised placebo-controlled trial." . "ROMe is a synthetic sphingosine analogue." . "Clorgiline is an analogue of ." . "Pirlindole is a reversible monoamine oxidase A inhibitor (RIMA) family antidepressant." . "Marketed formulations may contain (PubChem CID 26758)." . "Marketed formulations may contain rasagiline mesylate (PubChem CID 3052775)." . "Tolcapone is a selective, potent and reversible nitro catechol type inhibitor of enzyme catechol-O-methyl transferase (COMT). As a result of reported hepatoxicity complications tolcapone has been withdrawn from the market in a number of countries." . "Entacapone inhibits catechol O-methyltransferase (COMT)." . "Methimazole is a thioamide antithyroid drug which acts as a thyroperoxidase inhibitor and reduces serum CXCL10 (a chemokine that participates in the self-perpetuation of the inflammatory processes in patients with autoimmune thyroid disease) from thyrocytes ." . "Propylthiouracil is a thiouracil-derived drug, which acts as a thyroperoxidase inhibitor.
Propylthiouracil is on the World Health Organisation's List of Essential Medicines. Click here to access the pdf version of the WHO's 21st Essential Medicines list (2019)." . "CZC24832 is the first reported selective PI3Kγ inhibitor . The activity of CZC24832 has been investigated in preclinical studies." . "GB88 is a PAR2 receptor antagonist . It inhibits the proinflammatory and pronociceptive actions of trypsin, cathepsin-S and elastase, consistent with the observation that PAR2 deletion inhibits trypsin-, cathepsin-S- and elastase-induced inflammation and nociception ." . "Pepducins are membrane tethered mimics of intracellular loops of the target receptor. They are designed to interact with regions of the target receptor identified as being involved in signal transduction. Pepducins are able to modify receptor activity by flipping across the lipid membrane and where they are able to interact with the targeted portions of the native receptor." . "Ketorolac is a heterocyclic acetic acid class non-steroidal anti-inflammatory drug (NSAID). It acts as a non-selective COX inhibitor. The administered drug is a racemic mixture of enantiomers. We show the chemical structure without specified stereochemistry to represent the mixture." . "A 65 amino acid peptide isolated from green mamba venom, and subsequently chemically synthesized ." . "Myriocin is a sphingosine-like potent immunosuppressant acting primarily via inhibition of serine palmitoyltransferase which catalyses the first step of sphingolipid biosynthesis . The compound was originally isolated from the fungus Isaria sinclarii." . "Tacrine is a dual inhibitor of butyrylcholine esterase (P06276) and acetylcholinesterase (P22303). Marketed formulations may contain tacrine hydrochloride (PubChem CID 2723754)." . "This compound is represented here in its non-isomeric form. R and S stereoisomers are represented elsewhere. Location of of tritium is unknown." . "Location of tritium is unknown." . "Location of tritium is unknown." . "Many alternative stereo forms exist for the structure. The marketed formulation contains galantamine hydrobromide (PubChem CID 121587)." . "Tripeptide compound" . "PF-04457845 is a highly selective, irreversible, covalent inactivator of fatty acid amide hydrolase (FAAH) , that is being investigated in clinical trials. It is one example from a dense analogoue series from patents (see 'Similar Compounds' in PubChem)." . "Darapladib is a potent PLA2G7 (commonly referred to as Lp-PLA2) inhibitor. Darapladib and analogues such as are clinical drug candidates with potential to reduce the risk of atherosclerosis and associated clinical sequelae ." . "Due to the irreversible nature of this compound's inhibition it is not being progressed as a drug." . "The DrugBank entry listed here refers to fluticasone propionate with CAS registry number 80474-14-2. ChEMBL lists fluticasone propionate as a glucocorticoid receptor agonist, but not the fluticasone parent molecule.

Breo Ellipta®, approved by the FDA in 2013, is a fixed-dose formulation containing fluticasone furoate and ." . "Prinaberel is an estrogen receptor beta (ERβ) agonist, with potential gynecological uses and antiinflammatory action .

The structure shown here matches that in the INN document for prinaberel, and as in the ChEMBL entry provided above. However, alternative tautomers are represented elsewhere including CID 5326893." . "Naturally-occuring fragment of the endogenous peptide ProSAAS." . "One of the active metabolites of the approved drug atorvastatin." . "The structure of this compound was taken from the article which describes its discovery . PubChem CID 10127223 shows the non-chiral molecule." . "The structure of this compound was drawn as represented in the listed reference. CID 60154274 shows a non-chiral representation of the compound." . "The structure of this ligand was drawn as shown in the listed reference. CID 10159157 shows the non-chiral compound." . "The structure of this compound was taken from the article which describes its discovery . PubChem CID 10138152 shows the non-chiral molecule." . "The structure of this compound was taken from the article which describes its discovery . PubChem CID 11475734 shows the non-chiral molecule." . "The structure of this compound was taken from the article which describes its discovery . PubChem CID 71456888 shows the non-chiral molecule." . "Note that in this compound is used as its dihydrochloride salt." . "HTS01037 is an inhibitor of fatty acid binding proteins (FABPs), which acts as an antagonist of protein-protein interactions mediated by FABPs, in particular adipocyte FABP . The compound is a useful tool for delineating a FABP function in lipid metabolism in fat cells and inflammation in macrophages." . "GSK2606414 is an analogue identified by a medicinal chemistry study to find novel, potent and selective protein kinase R (PKR)-like endoplasmic reticulum kinase (PERK) inhibitors . The official HGNC endorsed name for PERK is eukaryotic translation initiation factor 2-alpha kinase 3 (with gene symbol EIF2AK3). GSK2606414 is highly selective and is orally available." . "Idelalisib is highly selective and potent oral inhibitor of phosphoinositide 3-kinase (PI3K) δ." . "This is compound 20 in " . "This is compound 24 in " . "Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record. Based on peptide sequence matches we presume alirocumab is H1H316P in the patent document ." . "Abiraterone is the active from of the abiraterone acetate prodrug." . "The vitronectin precursor protein can be cleaved into three subunits: vitronectin V65 subunit, vitronectin V10 subunit and somatomedin-B. Vitronectin can exist in two forms, one being a single chain uncleaved form (V75), and the other a cleaved form composed of the V65 and V10 subunits which are held together by a disulfide bond." . "Fibrinogen is a heterohexamer consisting of two sets of 3 different subunit chains: &alpha, β and γ." . "The structure of mature human fibronectin varies according to the splice variants of the proteins cleaved from the precursor. Heteromeric, monomeric and homomeric variants exist. For more details, see the UniProt entry for this protein." . "Details of the structure of von Willebrand factor (vWF) are available in its UniProt record. The pre-pro peptide is 2813 amino acids, with residues 1-22 being the signal peptide, residues 23-763 forming von Willebrand antigen 2, and the remaining 2050 residues (764-2813) constituting vWF. The Uniprot record also provides details of mutations underlying defective vWF activity in the three subtypes of von Willebrand disease." . "ICAM-1 is a cell-adhesion molecule that is overexpressed on the surface of a number of cancer cells types , and this may be correlated with metastasis and poor prognosis . These findings suggest ICAM-1 as an ideal target for oncology therapeutic development . Monoclonal antibodies (and antibody-drug conjugates) that target ICAM-1 are being explored for anti-tumour potential , and there is a report of the experimental effect of ICAM-1 targeting CAR-T cells in triple-negative breast cancer ." . "Fluorescent peptide probe." . "CCG-1423 inhibits RhoA transcriptional signaling via an unknown mechanism of action but is tool compound for the disruption of transcriptional responses of the Rho pathway in cancer." . "CCG-977 is an analogue of CCG 1423, both of which inhibit RhoA transcriptional signaling via an unkown mechanism of action. Both are tool compounds for disrupting the transcriptional responses of the Rho pathway in cancer." . "Novel inhibitor of Rho/MKL1/SRF-mediated gene transcription that inhibits invasion of PC-3 prostate cancer cells in a Matrigel model of metastasis (a CCG-1423 analogue)" . "Analogoue of CGC-1423 with improved selectivity for inhibition of RhoA/C-mediated gene transcription and attenuated cytotoxicity" . "CAMPATH-1 (CD52) antigen inhibitor. Functionally, alemtuzumab causes depletion and then recovery of the immune system.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "Vascular endothelial growth factor A inhibitor.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record.

Biosimilars: Amgen's bevacizumab-awwb (Mvasi®) was the first bevacizumab biosimilar to be FDA approved. This and others are listed in the table below.
NameTrade nameCompanyClinical PhaseIndications
bevacizumab-awwbMvasiAmgenApproved (FDA 2017)Approved to treat a range of cancers, including certain colorectal, lung, brain, kidney and cervical cancers.
bevacizumab-bvzr; PF-06439535ZirabevPfizerApproved (EMA & FDA 2019)Approved to treat a range of cancers, including certain colorectal, lung, brain, kidney, cervical and breast cancers, plus recurrent glioblastoma (FDA).
SB8AybintioSamsung BioepisApproved (EMA 2020)Approved to treat a range of advanced solid tumour types, in combination with a number of chemotherapeutic drugs.
FKB238EquidacentCentus BiotherapeuticsApproved (EMA 2020)Approved to treat a range of advanced solid tumour types, in combination with a number of chemotherapeutic drugs.
bevacizumab; MYL-1402OAbevmyMylanApproved (EMA 2021)As per originator reference product.
bevacizumabAlymsysMabxience Research/Zentiva Approved (EMA 2021)As per originator reference product.
bevacizumab-maly; BEVZ92-MB02Oyavas; AlymsysSTADA Arzneimittel; Amneal PharmaceuticalsApproved (EMA 2021; FDA 2022)As per originator reference product: NOT adjuvant treatment of colon cancer
bevacizumabOnbevziSamsung Bioepis/BiogenApproved (EMA 2021)As per originator reference product
bevacizumab-adcd; CT-P16VegzelmaCelltrionApproved (EMA & FDA 2022)Approved to treat a range of advanced solid tumours in combination with other cancer drugs: Colorectal, breast, ovarian, fallopian tube, peritoneal, and uterine neoplasms, non-small cell lung cancer, and renal cell carcinoma
CBT124 Cipla BioTechPhase 3
" . "Antibody-drug conjugate (ADC) that combines an anti-CD30 antibody and the drug monomethyl auristatin E (MMAE). The PubChem ID for the MMAE component compound is CID 11542188. The invention of this ADC is claimed in patent US7090843 and the original article describing the parent antibody (C10 or AC10) is .
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "Canakinumab targets interleukin-1β .
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "This therapeutic is a TNFα neutralising agent. Structurally it is a Fab' fragment of a TNFα-binding monoclonal antibody, which has polyethylene glycol (PEG) conjugated to a free cysteine residue in its hinge region (Cys227 of the heavy chain). Removing the Fc portion minimizes complement-dependent cytotoxicity (CDC) and antibody-dependent cell-mediated cytotoxicity (ADCC), two reactions known to cause unwanted side-effects in mAb therapies. PEGylation is used to increase the drug's half life, as Fab' fragments are normally rapidly degraded in vivo." . "This drug is an antibody-drug conjugate (ADC) that targets delivery of the highly cytotoxic ozogamicin (a derivative of calicheamicin γ1) to CD33 +ve myeloid cells ." . "TNFα inhibitor." . "This compound is a BACE1 or BACE2 inhibitor, and is example 2 from patent WO2013004676 (with 8 examples tested). Also published as patent review . This is more potent against BACE2 even although the patent is focused on BACE1 for Alzheimer's disease (AD)." . "A monoclonal antibody used as a radioimmunotherapy treatment." . "Ofatumumab is a type I anti-CD20 monoclonal, designed to target surface CD20 on B-lymphocytes." . "Ranibizumab is a Fab fragment of a monoclonal antibody designed to target vascular endothelial growth factor A (VEGFA).
Annotated peptide sequences for this antibody derivative are available from its IMGT/mAb-DB record.
Peptide sequence analysis reveals that ranibizumab sequences are claimed in patent WO1998045331 (clone Y0317) , with an expected affinity similar to clone Y0313-1. It is the Fab fragment of .

Biosimilars:
Patent protection for originator ranibizumab is expected to expire in 2020 in the US and 2022 in the EU, and biosimilar development is well underway .
Intas Pharmaceuticals launched their Razumab® biosimilar in India in 2015. Samsung Bioepis' SB11 (Byooviz®, ranibizumab-nuna) was EMA approved in August 2021 (FDA approval followed in September 2021), following completion of NCT03150589 . Genentech/Roche's biosimilar Susvimo® (in a refillable ranibizumab-containing ocular implant) was FDA approved for wet AMD in October 2021. Coherus BioSciences announced FDA approval for their biosimilar Cimerli® (ranibizumab-eqrn; formerly FYB201) in August 2022. Cimerli® can be prescribed for all five of the indications for which the reference product is authorised." . "Rituximab is a type I anti-CD20 monoclonal, designed to target surface CD20 on B-lymphocytes. It is a cancer and autoimmune disease drug.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record.

Biosimilars:
NameTrade nameCompanyClinical PhaseIndications
CT-P10; rituximab-abbsBlitzima; Truxima; Tuxella (renamed Rituenza); RitemviaCelltrionApproved (EMA 2017, FDA 2018)Non-Hodgkin lymphoma (NHL), chronic lymphocytic leukaemia (CLL), granulomatosis with polyangiitis (GPA), microscopic polyangiitis (MPA) and severe rheumatoid arthritis (Truxima only). Rituenza's marketing authorisation withdrawn in EU in 2017 at Celltrion's request.
PF-05280586; rituximab-pvvrRuxience PfizerApproved (FDA 2019, EMA 2020)NHL, CLL, GPA, MPA
BCD-020AcellBiaBiocadApproved in 2014 by the Ministry of Health of the Russian Federation; Ph 3 trials elsewhere- see NCT02744196 and NCT01759030 as examplesRheumatoid arthritis
GP2013Rixathon; RiximyoSandozApproved (EMA 2017) NHL, CLL
SAIT101 Archigen BiotechPh 3 comparision clinical trial with MabThera® for follicular lymphoma (NCT02809053), and Ph 1 NCT02819726 for rheumatoid arthritisRheumatoid arthritis, follicular lymphoma
rituximab-arrx; ABP 798RiabniAmgenApproved (FDA 2020)NHL, CLL, GPA (Wegener's granulomatosis), and MPA
rituximab; RTXM83-MB01; RTXM-83Novex; RigetuxermAbxienceApproved (Brazil 2019; and other Latin American countries)NHL
BI 695500 Boehringer IngelheimDevelopment halted at Ph 3 (NCT02417129)NHL
" . "A tyrosinase inhibitor" . "Tositumomab was used as a radioimmunotherapy drug, targeting CD20 on B-lymphocytes prior to cessation of its manufacture." . "Sodium/potassium-transporting ATPase inhibitor (pan)" . "Inhibits FK506-binding protein 1A" . "Tacrolimus acts as a calcineurin inhibitor and has immunosuppressive effects." . "A pan tubulin inhibitor, isolated from Catharanthus roseus (the Madagascar periwinkle, formerly Vinca rosea). Marketed formulations contain vincristine sulfate (PubChem CID 249332)." . "Radiolabelled synthetic analogue of angiotensin-II" . "Alfibercept is a fusion protein combining the Fc portion of human IgG with the ligand binding domains of the VEGRF1 and VEGRF2 receptors.

Biosimilars:
Patent protection for originator alfibercept is expected to expire earliest in Japan and China (2022), then in US (2023, if Regeneron's extended patent claims are accepted) and the EU (2025), and biosimilar development is underway . Examples include Momenta Pharmaceuticals/Mylan's M710, Alteogen's ALT-L9 (a heat stabilised formulation with a predicted longer shelf-life than Eylea; NCT04058535), and Formycon/Santo Holdings' FYB203." . "This is a fusion protein of the CD2 ligand (CD58/LFA3, lymphocyte function associated antigen 3) linked to the Fc domain of IgG1. The construct is called LFA3TIP in ." . "Drotrecogin alfa (activated) is a recombinant form of human activated protein C." . "Etanercept is a TNFα inhibitor. It is a dimeric recombinant protein fusing the TNF receptor 2 (TNFRSF1B) to the Fc region of the human IgG1 antibody. Etanercept is used as a disease-modifying anti-rheumatic drug (DMARD).

Biosimilars:
NameTrade nameCompanyClinical PhaseIndicationsReferences
etanercept-szzsErelziSandozApproved (2016 FDA, 2017 EMA)As per reference agent 
SB4; etanercept-ykroBrenzys; Benepali; Eticovo Samsung BioepisApproved in S Korea (2015), Canada (2016), Europe (EMA 2016), US (FDA 2019) and othersAs per reference agent
 LifmiorPfizerApproved (2017 EMA)As per reference agent 
ENIA11; TuNEX; OpinerceptMycenax BiotechApproved (2018 Taiwan)Rheumatoid arthritisReuters news brief
YLB113NepextoMylanApproved (2020 EMA)As per reference agent 
EtaceptReumatoceptShanghai CP GoujianMarketed in Colombia as Etanar Rheumatoid arthritis 
CHS-0214 Coherus BiosciencesPh 3 (NCT02134210)Plaque psoriasis 
LBEC0101 LG Life SciencesPh 3 (NCT02357069)Rheumatoid arthritis
" . "Active metabolite of irinotecan" . "Rilonacept is a fusion protein consisting of the binding domains of the IL-1 receptor (IL-1R) and the IL-1 receptor accessory protein (IL-1RAcP) linked to the Fc portion of human IgG1." . "Maltase-glucoamylase and pancreatic amylase inhibitor. Many isomeric alternative structures for this compound are available: to go to the PubChem listing click here. It is not clear which isomer is an exact match to the structure given in the INN record for this compound." . "Carbonic anhydrase inhibitor" . "A sulfonylurea family drug." . "Sodium/potassium-transporting ATPase inhibitor (pan)" . "Marketed formulations may contain (PubChem CID 16051976)." . "DNA methyltransferase and RNA inhibitor. Azacitidine inhibits DNA methylation in vitro , but not by directly interacting with the methyltransferase enzyme DNMT1." . "Carbonic anhydrase inhibitor" . "Cabazitaxel is a pan tubulin inhibitor of the taxane class of compounds." . "Capecitabine is a prodrug, that is enzymatically converted to 5-fluorouracil (active agent). It is a thymidylate synthase inhibitor." . "A glutathione reductase inhibitor, DNA/RNA inhibitor." . "This compound is a BACE2 inhibitor developed by Roche, and is example 20 (out of 130) in patent WO2010128058 . See also BACE2 patent review ." . "A sulfonylurea family drug inhibiting sulfonylurea receptor 1 (ABCC8)/Kir6.2 (KCNJ11)" . "A DNA polymerase (α/δ/ε) inhibitor, DNA and ribonucleoside-diphosphate reductase (RR1) inhibitor." . "An antithrombin-III activator. Since this drug is a mixture of hydrolysed fragments of porcine herparin, a chemical structure is not shown." . "Danaparoid sodium is an anticoagulant that works by inhibiting activated factor X. It is no longer marketed in the US but is still available in other countries. As this drug is a mixture of components (heparan sulfate, dermatan sulfate, and chondroitin sulfate) we are unable to give structural information." . "DNA methylation inhibitor and RNA inhibitor. Like , decitabine inhibits DNA methylation in vitro , but not by directly interacting with methyltransferase enzymes." . "Sodium/potassium-transporting ATPase inhibitor (pan). This compound was originally discovered in the leaves of Digitalis lanata, the woolly foxglove." . "Dichlorphenamide is an oral carbonic anhydrase inhibitor." . "Vitamin K epoxide reductase complex subunit 1 isoform 1 inhibitor" . "Docetaxel is a pan tubulin inhibitor which is a semi-synthetic analogue of paclitaxel (taxol), an extract from the bark of the rare Pacific yew tree Taxus brevifolia." . "Marketed formulations may contain dorzolamide hydrochloride (PubChem CID 6918132)." . "Danazol is a synthetic steroid with antigonadotropic and anti-estrogenic activities." . "A Low-Molecular-Weight Heparin antithrombin-III activator. It consists of fractionated material from pig mucosa but the PubChem structure represents the major form.

Biosimilar drugs: The EMA approved enoxaparin biosimilars named Inhixa and Thorinane in 2016." . "Enzalutamide is an androgen receptor antagonist." . "A pan tubulin inhibitor which is a fully synthetic macrocyclic ketone analogue of the marine sponge natural product halichondrin B (a mitosis inhibitor). Marketed formulations may contain eribulin mesylate (PubChem CID 17755248)." . "Carbonic anhydrase inhibitor" . "Flutamide is an androgen receptor antagonist." . "Potent and selective monoacylglycerol lipase (MAGL) inhibitor ." . "A DNA topoisomerase II inhibitor which is a synthetic derivative of podophyllotoxin, found in the American Mayapple (Podophyllum peltatum)." . "Inhibits the intestinal cholesterol uptake protein Niemann-Pick C1-like protein 1 (NPC1L1). Analysis of cryo-EM structures reveals how NPC1L1 transports cholesterol and the mechanism of ezetimibe inhibition ." . "Inhibits xanthine dehydrogenase" . "Inhibits steroid 5-alpha-reductase 2" . "Synthetic pentasaccharide Factor Xa inhibitor (via ATIII binding). The ChEMBL and PubChem links given here are without the sodium ions contained in the INN structure of this compound. Database entries include the sodium salt (e.g. PubChem CID 636380)." . "Only approved by the EMA (2007) to be used in combination with pioglitazone (Tandemact®). Note that the PubChem CID listed above refers to the non-isomeric molecule. We show the isomeric form which corresponds to the structure held with the INN record for this compound." . "A sulfonylurea family drug inhibiting sulfonylurea receptor 1 (ABCC8)/Kir6.2 (KCNJ11)." . "Inhibits ribonucleoside-diphosphate reductase (RR1)." . "Irinotecan is a semisynthetic analogue of the natural plant alkaloid camptothecin (PubChem CID 24360) which functions as a DNA replication inhibitor by binding to topoisomerase I/DNA complexes . Camptothecin was first isolated from the bark and stem of Camptotheca acuminata, the Chinsese happy tree.
The PubChem CID linked here is the same isomer as recorded in irinotecan's INN record." . "A pan tubulin inhibitor. This compound is an analogue of a natural substance produced by Sorangium cellulosum and acts to stabilise microtubules." . "Inhibits dihydroorotate dehydrogenase." . "In addition to being assigned an INN in its own right, levetiracetam is the biologically active enantiomer of racemic formulation etiracetam, also assigned an INN.
Levetiracetam is the active compound in Spritam®, the first 3D printed pill to be approved by the US FDA (in August 2015)." . "A tyrosinase inhibitor" . "Inhibits carbonic anhydrases. This compound is also represented on ChEMBL by the entry with ID CHEMBL19." . "Methocarbamol is the carbamate of , but the carbamate bond is not metabolically hydrolysed, so guaifenesin is not a metabolite of methocarbamol. Methocarbamol has reduced abuse potential compared to other carbamate drugs such as and its prodrug ." . "Inhibits inosine-5'-monophosphate dehydrogenase (IMPDH)" . "An antibacterial substance derived from Penicillium stoloniferum, and related species. Inhibits inosine-5'-monophosphate dehydrogenase (IMPDH)." . "A sulfonylurea receptor 1, Kir6.2 blocker, but belonging to the metiglinides drug family. Note that the PubChem CID listed here is a slightly different isomer to the ChEMBL ligand and the INN structure." . "Inhibits 4-hydroxyphenylpyruvate dioxygenase (HPD)" . "GI‐530159 is a K2P channel activator ." . "The approved drug in this case is Navstel®. Oxiglutatione is listed as the active ingredient. Inhibits glutathione reductase. Note that the chemical structure given by DrugBank has opposite stereochemistry to the INN record and the ChEMBL ligand mapped here." . "Note that the PubChem CID listed here represents only the backbone of the molecule and does not include the nucleic acid aptamer attached to the phosphate group. Acts as a vascular endothelial growth factor A antagonist." . "Inhibits dihydrofolate reductase, GAR transformylase and thymidylate synthase.
Marketed formulations may contain pemetrexed disodium (PubChem CID 46931002)." . "Vitamin K epoxide reductase complex subunit 1 isoform 1 inhibitor" . "Vitamin K epoxide reductase complex subunit 1 isoform 1 inhibitor. The INN-designated compound is a racemic mixture of two enantiomers.The structure shown here does not specify stereochemistry and represents the mixture." . "Inhibits dihydrofolate reductase, GAR transformylase and thymidylate synthase. The INN document specifies that pralatrexate is a racemic mixture of two epimers. These epimers are represented by the PubChem entries CID 23230419 and CID 11155808. We do not specify stereochemistry at the carbon atom which determines the two epimers, therefore our image represents the mixture.

SARS-CoV-2 and COVID-19: Pralatrexate has been identified as an inhibitor of the viral RNA-dependent RNA polymerase (RdRp; nsp12) from SARS-CoV-2 . This translates to inhibition of SARS-CoV-2 replication in vitro (EC50 8 nM). Structural anaylsis suggests that the interaction points between pralatrexate and RdRp are distinct from those between and RdRp." . "A sulfonylurea receptor 1, Kir6.2 blocker, belonging to the metiglinides drug family." . "Inhibits inosine-5'-monophosphate dehydrogenase 1 and RNA and also inhibits hepatitis C virus RNA-dependent RNA polymerase (NS5B)." . "A podophyllotoxin derivative which achieves cytotoxicity by inhibiting type II topoisomerase activity. Many (85) isomeric alternatives for this compound are listed on PubChem. Click here to link directly to the PubChem listing. The structure shown here matches that shown in the INN document for this compound." . "Reference specifies that this compound is a racemate. We show the structure here without specified stereochemistry to represent the mixture. AR234960 is a mixture of two diastereomers, trans in relation to each other." . "Teriflunomide inhibits dihydroorotate dehydrogenase (DHODH). It is the active metabolite of ." . "Inhibits inosine-5'-monophosphate dehydrogenase 1." . "An antithrombin-III activator. Since this drug is a mixture of hydrolysed fragments of porcine herparin, a chemical structure is not shown." . "A sulfonylurea family drug inhibiting sulfonylurea receptor 1 (ABCC8)/Kir6.2 (KCNJ11) potassium channel activity." . "A sulfonylurea family drug inhibiting sulfonylurea receptor 1 (ABCC8)/Kir6.2 ( KCNJ11)." . "A multifunctional compound: inhibits carbonic anhydrases II and IV, positively modulates GABA-A receptor anion channels, blocks sodium channel alpha subunits and behaves as an antagonist at the ionotropic glutamate receptors (AMPA and kainate)." . "Trilostane is a 3 β-hydroxysteroid dehydrogenase (gene symbol HSD3B1) inhibitor. It is now used mainly in veterinary practice." . "A pan tubulin inhibitor. A chemical analogue of (from Catharanthus roseus, also known as Vinca rosea). There is some ambiguity surrounding the exact stereochemistry of vinblastine. The chirality shown here corresponds to the PubChem entry linked to in the table above. However, bioactivity data for the compound is also listed against CID 241903, and some of the links in the table above refer to this chiral specification or others. Marketed formulations contain vinblastine sulfate (PubChem CID 5388983)." . "Vorinostat inhibits Class I, II and IV histone deacetylases (our pages for HDACs are available using this link)." . "PubChem CID 54678486 is an enatiomeric mixture of the much more active S-form (CID 54688261) and the R-form (CID 54684598) . This reference also reviews important pharmacogenomic aspects of this drug but note the application of this has become controversial (see the PharmKB drug link). Note also there is also a tautomeric variant depicted as CID 54689812. Marketed formulations may specify warfarin sodium (CID 16204922) or warfarin potassium (CID 23706212)." . "Used as an imaging agent (ProstaScint) by labelling with the radionuclide Indium-111 (using capromab pendetide, where the pendetide is the chelating agent for the radiolabel)." . "Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "Daclizumab is a monoclonal antibody binding to the α subunit (CD25) of the high-affinity interleukin-2 receptor.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record.

An advanced version of daclizumab, with identical primary sequence, but which is differentially gylcosylated, called daclizumab beta (BIIB019, DAC HYP) has been developed for subcutaneous administration. Daclizumab beta's alternate glycosylation pattern changes its binding to Fc receptors and reduces its propensity to induce complement dependent cytotoxicity (CDC) and antibody-dependent cell-mediated cytotoxicity (ADCC)." . "Tocilizumab is an anti-IL-6 receptor mAb, with immunosuppressive action that is approved for chronic autoimmune indications.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record.
Qyuns Therapeutics have a potential tocilizumab biosimilar (QX003S) in Phase 1 evaluation for rheumatoid arthritis (trial registry number ChiCTR1900021808).

SARS-CoV-2 and COVID-19: In early March 2020, China's National Health Commission issued guidance that allows use of tocilizumab to treat patients with serious COVID-19-induced lung damage. Tocilizumab is predicted to mitigate against the uncontrolled immune response that is triggered by SARS-CoV-2 infection in some patients and which leads to potentially life-threatening damage to the lungs and other organs. Clinical trials are beginning to reveal outcomes (Oct 2020), but the level of benefit remains unclear and requires further investigations. Differences between the studies (timing of treatment, severity of disease at initiation of treatment etc.) make it difficult to compare results and form a solid conclusion. In early January 2021, data was reported from a small cohort of severely ill, mechanically ventilated COVID-19 patients in the REMAP-CAP trial (NCT02735707) who received tocilizumab. The information released (data not yet peer-reviewed) suggested that tocilizumab (compared to standard care) significantly reduced mortality and that patients treated with this mAb were able to leave intensive care 7-10 days earlier than those who didn't receive the drug. This effect appears to be in addition to the clinical benefit conferred by dexamathasone. As a result of this latest report, the UK Department of Health and Social Care was set to issue updated guidance (on 8th Jan; link to gov.uk press release) which will encourage NHS trusts across the UK to immediately begin using existing stocks of tocilizumab in their treatment of critically ill COVID-19 patients in ICUs." . "The structure of this synthetic peptide is not specified by the reference ." . "Il-94 is a PAK1 (p21 protein (Cdc42/Rac)-activated kinase 1) inhibitor ." . "Cetuximab binds to and competitively inhibits the activity of the epidermal growth factor receptor (EGFR).
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record.

Biosimilars:
As Bristol-Myers Squibb's original EU and US patents for cetuximab have expired, challengers of cetuximab's market position are developing biosimilar and/or biobetter cetuximab.
Celltrion's CT-P15 is a cetuximab biosimilar, intended for the treatment of colorectal cancer. MabTech-Sorrento's STI-001 is a proposed biobetter cetuximab (perhaps because synthesis in CHO cells creates a different glycosylation pattern to that of cetuximab which is made in mouse cells, and may be less likely to cause side-effects such as immunogenicity and hypersensitivity). STI-001 has completed Phase 3 clinical trial in China. Neither of these agents is associated with any clinical studies that are registered with ClinicalTrials.gov." . "Binds to and competitively inhibits the activity of the epidermal growth factor receptor." . "Eculizumab is a humanized monoclonal antibody targeting terminal complement activation, by binding to complement component C5 and inhibiting the production of C5a . It is the first approved therapy for paroxysmal nocturnal hemoglobinuria.
Eculizumab's developers, Alexion Pharmaceuticals have developed a next-generation version of eculizumab called (ALXN1210; FDA approved in December 2018), that has a longer circulating half-life than the originator, which allows for monthly dosing.
The evidence confirming C5, C5a and the C5a receptor as anti-inflammatory and anti-cancer drug targets is reviewed by Horiuchi and Tsukamoto (2016) .

Biosimilars:
ABP 959 (Amgen) is in Phase 3 development under the jurisdiction of the Australian New Zealand Clinical Trials Registry (trial ID ACTRN12616000509460).
BOW080 (Epirus Biopharmaceuticals) is in preclinical development- see
None of these biosimilars can be FDA approved until Alexion's exclusivity period (due to protection as an orphan drug) expires in March 2019. Eculizumab's patent protection ends in May 2020 (Europe) and March 2021 (US). Hence, Alexion developed the improved agent ravulizumab as a replacement product." . "Ustekinumab suppresses the immunomodulatory actions of both IL-12 and IL-23 on T-cell sub-populations. It binds to the common p40 subunit (IL12B) shared by these cytokines.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record.
Qyuns Therapeutics have a potential ustekinumab biosimilar (QX001S) in Phase 1 evaluation for psoriasis (trial registry number ChiCTR1900022127)." . "Methdilazine is an antihistamine drug, with anticholinergic activity." . "Denosumab suppresses the activity of (RANKL), which normally promotes bone removal and resorption, but which becomes over active in many bone loss diseases.
Denosumab is produced from CHO cells stably expressing recombinant antibody component proteins ." . "Belimumab is a monoclonal antibody targeting TNFSF13B (BAFF; BLyS) , an immunostimulant essential for normal B cell maintenance and humoral immunity , and which is reported to be elevated in systemic lupus erythematosus (SLE) and other autoimmune diseases" . "Ipilimumab is an anti-CTLA-4 monoclonal antibody. It is likely the subject of patent WO2001014424 , as antibody 10D1 which was investigated further, claimed in patent EP1503794 . Ipilimumab is an immune checkpoint inhibitor." . "Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "LP-44 is a selective serotonin 5-HT7 receptor agonist ." . "Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record.
Peptide sequence analysis reveals that omalizumab is clone e25 in patent US5994511 ." . "Abatacept is a recombinant protein fusing the extracellular domain of human cytotoxic T-lymphocyte-associated antigen 4 (CTLA-4) to the modified Fc (hinge, CH2, and CH3 domains) portion of human immunoglobulin G1 (IgG1) . In essence, abatacept is a CTLA-4 mimetic, that enhances CTLA-4's inhibitory signal to T cells, thereby down-modulating T cell mediated inflammation." . "A recombinant protein fusing the extracellular domain of human cytotoxic T-lymphocyte-associated antigen 4 (CTLA-4) to the modified Fc (hinge, CH2, and CH3 domains) portion of human immunoglobulin G1 (IgG1). CTLA-4 is essential for T-cell co-activation.
Belatecept differs from by only 2 amino acids." . "Forasartan is a nonpeptide, competitive and reversible angiotensin II receptor antagonist, selective for the AT1 receptor. Forasartan is not a popular drug of choice for hypertension as it is less effective than , due to its relatively short duration of action." . "Azilsartan medoxomil is metabolised into the active form azilsartan. The azilsartan ligand page (accessed via the link above) contains more details of the drug's clinical use and mechanistic action.
The marketed brand, Edarbi®, contains azilsartan medoxomil potassium (PubChem CID 23699544)." . "The active form of the approved drug azilsartan medoxomil." . "TRV027 (TRV120027) is a synthetic analogue of endogenous angiotensin II peptide . It acts as a β-arrestin biased ligand of the angiotensin II type 1 receptor (AT1R). TRV027 inhibits angiotensin II-mediated vasoconstriction, increases cardiomyocyte contractility and induces an anti-apoptotic effect, all of which when combined, provide a cardioprotective result." . "Synthetic analogue of angiotensin II" . "Synthetic analogue of angiotensin-II" . "Synthetic analogue of angiotensin II" . "Radiolabelled synthetic analogue of angiotensin II" . "The position of the tritiated hydrogen atom is unspecified by the reference describing this compound and so the radiolabel is not shown in this structure." . "The position of the tritiated hydrogen atom is unspecified by the reference describing this compound and so the radiolabel is not shown in this structure." . "The structure of LY301875 shown here is the same as that in the reference listed . Please note that the stereochemistry of the ChEMBL entry linked to above varies slightly from our structure." . "The representation of this compoound on PubChem shows a different tautomer, linked to above." . "Ibrutinib is a clinically used inhibitor of Bruton's tyrosine kinase. It was originally approved with breakthrough therapy designation through the FDA's accelerated approval program." . "Synthetic analogue of endogenous peptide angiotensin II." . "Synthetic analogue of angiotensin II" . "Synthetic analogue of angiotensin II" . "Compound 21 is a first-in-class orally administered angiotensin AT2 receptor agonist. It prevents TNFα-induced and HFD-induced vascular inflammation in vitro and in vivo, indicating that its anti-atherosclerotic actions are due to vascular anti-inflammatory effects, mediated by AT2 receptors . C21 is one of the chemical structures that are claimed in Vicore Pharma's patent US20180078529A1 ." . "An aldehyde dehydrogenase inhibitor" . "An experimental carbonic anhydrase inhibitor" . "25-hydroxyvitamin D3 is the major circulating metabolite of 25-hydroxyvitamin D. Calcifediol is the WHO INN for the same compound." . "This compound was developed as part of EnVivo Pharmaceuticals alpha-7 agonist program . The compound exhibits good brain penetration and an adequate exposure time for clinical utility .
EnVivo changed its name to FORUM Pharmaceuticals Inc. in April 2014." . "ABT-288 is a competitive antagonist with high affinity and selectivity for H3 receptors that enhances the release of acetylcholine and dopamine in rat prefrontal cortex. Has been studied for cognitive impairment associated with Alzheimer’s disease and schizophrenia but is now one of the NCATS repurposing compounds " . "Trastuzumab emtansine is a antibody-drug conjugate (ADC) containing a targeting antibody (anti-erbB2) conjugated to a cytotoxic drug (mertansine or DM1) . The PubChem CID for the mertasine component compound is CID 11343137. Mertansine (or DM1) is a macrolide of the ansamycin type and can be isolated from plants of the genus Maytenus. It is known as a maytansinoid. This agent binds to the rhizoxin binding site on β-tubulin and functions in a similar fashion to the Vinca alkaloids.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record.

Other trastuzumab-based antibody-drug conjugates (ADCs):
trastuzumab deruxtecan (fam-trastuzumab deruxtecan-nxki, DS-8201, Enhertu®; Daiichi Sankyo) delivers a topoisomerase I inhibitor payload . It progressed through clinical development and received FDA approval in December 2019 as a treatment for metastatic breast cancer, and EMA authorisation for this indication followed in early 2021. Based on results from the DESTINY-Lung02 trial (NCT04644237) that demonstrated efficacy in patients with HER2 mutation-positive, unresectable/metastatic non-small cell lung cancer (NSCLC), Enhertu® was FDA approved as the first therapeutic for this type of NSCLC in August 2022.
trastuzumab duocarmazine (SYD985, a.k.a. trastuzumab vc-seco-DUBA, [vic-]trastuzumab duocarmazine; Synthon/Byondis) delivers the highy cytotoxic DNA methylating pro-drug, seco-duocarmycinhydroxybenzamide- azaindole, to HER2-expressing cancer cells . The payload is conjugated to the antibody via a linker that is cleaved once the ADC is internalised by cancer cells, and the pro-drug is then metabolised to the active toxin. SYD985 was granted fast track designation by the FDA in early 2018, based on positive phase 1 data . This agent is in late stage clinical evaluation in metastatic breast cancer NCT03262935), and the FDA accepted Byondis' Biologics License Application for the use of SYD985 in patients with HER2-positive unresectable locally advanced or metastatic breast cancer in mid-2022." . "Tideglusib is a small molecule non-ATP-competitive, irreversible glycogen synthase kinase 3 (GSK-3β) inhibitor that has been investigated as a potential treatment for Alzheimer's disease and paralysis supranuclear palsy . Low-dose tideglusib has been reported to induce natural reparative dentine formation, as a novel approach to treating tooth decay .

In vitro and in vivo, tideglusib (and analogues) has shown anti-staphylococcal activity, via inhibition of Staphylococcus aureus sortase A (SrtA; a virulence factor of Gram-positive pathogens) ." . "Compound 10 is an ASK1 (apoptosis signal-regulating kinase 1) inhibitor , with approximately 50 fold selectivity compared to ASK2 (aka MEKK6 or MAP3K6)." . "Humanized monoclonal antibody to amyloid β (Aβ). Binds to Aβ deposits and reduces amyloid load primarily through microglial clearance." . "AstraZeneca BACE1 inhibitor AZD3839 recently progressed into Phase 1 clinical trials for Alzheimer's Disease." . "Solanezumab is an investigational humanized monoclonal antibody targeting amyloid-β (Aβ).
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record. The invention of solanezumab is covered by patent US7195761 , where it is coded as Hu266." . "Gantenerumab targets aggregated forms of human (Aβ) proteins Aβ42 and Aβ40. This is in contrast to which targets soluble Aβ.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record.
Protein sequence analysis reveals that gantenerumab is likely to be clone #7.9.H7 in patent US7794719 ." . "This antibody targets (Aβ) protein.
Annotated peptide sequences for this antibody are available in its IMGT/mAb-DB record." . "LP-211 is reported to be a selective agonist of the serotonin 5-HT7 receptor ." . "LY2811376 is a non-peptidic BACE1 inhibitor for Alzheimer's Disease. Aβ reductions in lumbar CSF were measured after oral dosing in humans but development was halted because of toxicology findings but these may not be related to BACE1 inhibition." . "AZ-4217 is a potent BACE1 inhibitor for Alzheimer's Disease with efficacy in mice, guinea pigs, and Tg2576 mice . There is a BACE1 PDB structure with this ligand 4B00 but with a different tautomeric representation as PubChem CID 60210950" . "TAK-070 from Takeda shows partial reduction in Aβ as well as increase in sAPPα in animal models. The noncompetitive BACE1 inhibition may be sufficient to modify amyloid pathology and ameliorate cognitive deficits in Alzheimer's Diseases without causing potential adverse events by complete BACE1 ablation." . "Obinutuzumab is a third-generation, humanized and glyco-engineered anti-CD20 IgG1 mAb. Prior to 2009 obinutuzumab was known as afutuzumab.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "NCATS-SM3710 is a derivative, with potent antimalarial activity ." . "The CF3-substituted 1,3, oxazine 89 was found by Roche to be an orally active BACE1 inhibitor with an excellent PD profile in mice and a long lasting Aβ40/42 reduction in the CSF of rats 13 PDB structures have been submitted and one of the series may enter clinical development" . "Methyltestosterone is a synthetic anabolic steroid used for treating men with testosterone deficiency or similar androgen replacement therapies." . "Novartis optmised BACE1 inhibitor (11d) with potent cellular activity (IC50 10 nM) and a PDB structure. A single oral dose of 60 μmol/kg effected significant reduction in brain Aβ in APP51/16 transgenic mice ." . "This drug is a synthetic androgen with similar properties to testosterone. Drostanolone is used extensively (and illicitly) by athletes and bodybuilders aiming to build muscle strength and definition." . "This drug is an anabolic steroid, derived from nandrolone." . "Compound 26 is a selective inhibitor of MAP4K4 (mitogen-activated protein kinase kinase kinase kinase 4) ." . "An androgen receptor agonist with associated anabolic properties. The INN record for nandrolone is for the core compound without the decanoate side chain, but other national commissions use nandrolone decanoate to name nadrolone. The first US FDA nandrolone based drug approval was for nandrolone phenpropionate in 1959, since then many formulations have been approved but subsequently discontinued. Our record for nandrolone is intended to cover various fomulations of the compound including nandrolone phenpropionate (PubChem CID 229455) and nandrolone decanoate (PubChem CID 9677)." . "A hydroxyethylamine-based inhibitor of BACE1 from Amgen capable of lowering Aβ levels in the brains of rats after oral administration . Also has a PDB structure ." . "The INN record for this compound and the US FDA approval, are for the sodium salt. This drug is the dextrorotary isomer of synthetic thyroxine and acts as an antihyperlipidemic." . "Tazarotene is a vitamin A-like retinoid that binds all isoforms of the retinoic acid receptor, but may show selectivity for the β, and γ isoforms acting via which may result in altered gene expression that provides the beneficial effects on skin condition. Tazarotene is essentailly a prodrug, with tazarotenic acid (PubChem CID 147525) being the active metabolite." . "First published reports of this compound described it as a BACE1 inhibitor, but it was later identified as a BACE2 inhibitor as example 1 (with IC50 9 nM) from patent WO2011029803 . It is also published as compound J from the BACE2 diabetes target paper ." . "Dextromethorphan is a morphinan class sedative. It is available over-the-counter (OTC) for use as an antitussive. At doses much higher than medically recommended, dextromethorphan is used recreationally for its dissociative anesthetic and euphoria producing effects." . "Palfermin is a modified truncated form of human keratinocyte growth factor produced by recombinant DNA technology." . "This 60 amino acid peptide drug is an inhibitor of human plasma kallikrein (KLKB1; P03952). The recombinant protein is produced in yeast (Pichia pastoris).The chemical structure shown here was generated using the SMILES from PubChem CID 44152182." . "The US FDA approved name for this compound is metyrosine, an inhibitor of tyrosine 3-hydroxylase enzymatic activity." . "This compound is a potent BACE2 inhibitor and is example 41 from patent WO2012028563 , which includes IC50s for 75 BACE2 inhibitor compounds. See also BACE2 patent review ." . "The molecular mechanism underlying mitotane's clinical effects is complex and poorly understood ." . "This drug is a stabilized synthetic peptide analogue of the hypothalamic peptide GHRH. The approved formulation is the acetate salt. The chemical structure shown here was generated using the SMILES from PubChem CID 16137828." . "Anisindione is a synthetic anticoagulant which inhibits vitamin K-dependent gamma-carboxylase." . "Eltrombopag is a thrombopoietin receptor agonist that increases production of platelets. The structure shown here represents the compound with double bond stereochemistry as stipulated in the INN record for this drug. Representations on other chemistry databases may show alternative tautomers. The marketed drug contains eltrombopag olamine (PubChem CID 71719015, again note tautomer difference)." . "Denileukin diftitox is an anti-cancer drug. The drug is a recombinant protein containing peptide sequences of both interleukin-2 and diphtheria toxin ." . "Roflumilast is a phosphodiesterase-4 inhibitor." . "Clonazepam belongs to the benzodiazepine group of drugs." . "This is a synthetic peptide forming the fully active N-terminal portion of cortocotropin. Like the endogenous peptide, cosyntropin stimulates the adrenal cortex to produce and secrete adrenocortical hormones." . "This peptide is the acetate salt of full length (39 amino acid) human corticotropin. It has a US approved name (USAN) but no international approved name (INN) and does not appear on the US FDA current drug list. This appears to be a discontinued injectable repository from of corticotropin. See FDA New Drug Application (NDA) 017861" . "This peptide is a melanocortin receptor 2 agonist. As a drug, use has been discontinued." . "This compound is a BACE2 inhibitor and is example 92 from Novartis' patent WO2012095521, which has 274 examples in the result tables. See also the BACE2 patent review ." . "This is a recombinant version of human G-CSF. The peptide is produced in E. coli and is non-glycosylated, whereas the naturally occurring peptide has an O-linked carbohydrate chain attached to Thr133. The carbohydrate chain protects the native peptide from degradation by human neutrophil elastase . Therefore, filgrastim is more quickly degraded and loses biological activity more rapidly in comparison to native G-CSF.

Biosimilar drugs: The potential for utilising filgrastim biosimilar agents in neutropenia management is discussed in . In March 2015, the US FDA approved the filgrastim biosimilar, Zarxio® (filgrastim-sndz) for the same indications as the reference product Neupogen®. This was the first biosimilar product to receive FDA approval. July 2018 saw FDA approval of the biosimilar Nivestym® (filgrastim-aafi), again for all eligible indications of the reference product. In the EU 7 filgrastim biosimilars received marketing authorisation between 2008 and 2014 (Ratiograstim®, Tevagrastim®, Filgrastim Hexal®, Zarzio, Nivestim®, Grastofil® and Accofil®, in order of approval), although some of these have since been withdrawn from the market. In March 2022, the FDA approved filgrastim-ayow (Releuko®, Amneal Pharmaceuticals)," . "This is a PEGylated version of recombinant human G-CSF. Pegylation increases circulating half-life. In addition to pegfilgrastim, lipegfilgrastim (Lonquex®) is a glyco-PEGylated long-acting G-CSF, that is an alternative to pegfilgrastim .

Biosimilars:
NameTrade nameCompanyClinical phaseIndications
pegfilgrastim-jmbd; MYL-1401HFulphilaMylanApproved (2018 FDA & EMA)As per reference agent
 PelgrazAccordApproved (2018 EMA)As per reference agent
 PelmegMundipharma (developed by Cinfa Biotech)Approved (2018 EMA)As per reference agent
 pegfilgrastim MundipharmaMundipharma Approved (2019 EMA)As per reference agent
pegfilgrastim-cbqv; CHS-1701UdenycaERA Consulting; Coherus BioSciencesApproved (2018 FDA & EMA)As per reference agent
USV pegfilgrastimGrasustekJuta PharmaApproved (2019 EMA)As per reference agent
pegfilgrastim-bmez; LA-EP2006ZiextenzoSandozApproved (2018 EMA, 2019 FDA)As per reference agent
pegfilgrastim-apgf; PF-06881894NyvepriaPfizerApproved (2020 FDA)As per reference agen
pegfilgrastim-fpgk; MSB11455StimufendFresenius KabiApproved (2022 FDA & EMA)As per reference agen
pegfilgrastim-pbbkFylnetraAmneal PharmaceuticalsApproved (2022 FDA)As per reference agen
" . "This is a non-glycosylated, recombinant form of human IL-11 produced in E.coli. Oprelvekin is one amino acid shorter than the endogenous peptide, lacking the amino-terminal proline residue." . "This drug is a recombinant, nonglycosylated form of the endogenous IL-1 receptor antagonist peptide with an additional methionine at the amino terminus compared to the endogenous peptide." . "Aminoglutethimide is an aromatase (CYP19A1) and steroid 11β-hydroxylase (CYP11A1) inhibitor." . "A synthetic calcitonin receptor agonist. Salmon calcitonin has actions identical to calcitonins of mammalian origin, but its potency is greater and it is longer acting. The overall effect of calcitonin treatment is an increase in bone mass." . "This drug is a thrombopoietin receptor agonist, although its peptide sequence does not resemble that of the endogenous peptide thrombopoietin. Romiplostim is known as a peptibody, a fusion between the Fc portion of immunoglobulin and a therapeutic peptide. In this case the drug exists as a heterodimer. The carboxy terminal 14 amino acid residues of this peptibody constitute the thrombopoietin receptor binding domain (single letter amino acid code: IEGPTLRQWLAARA)." . "Vismodegib inhibits smoothened homolog (SMO), a constituent of the Hedgehog signalling pathway which is essential for proper embryonic development. This pathway is also involved in the maintenance and regeneration of adult tissues by regulating adult stem cells and has been implicated in the development of some cancers." . "The approved drug is a racemic mixture of stereoisomers; (R-isomer) and (S-isomer). We show the non-isomeric molecule to represent the mixture." . "Compound 19a is a potent, orally bioavailable Jak2 inhibitor , although data from this article suggest that 19a is equipotent (IC50 <3nM) at JAK1 and JAK2, but with significantly lower affinity for JAK3 (IC50 220nM)." . "This ligand is represented in PubChem by CID 86279608, which does not include any chiral specification." . "Semagacestat is a small-molecule γ-secretase inhibitor that was developed by Eli Lilly as a potential treatment for Alzheimer's disease but it failed in Phase 3 clinical trials. NOTCH is also a γ-secretase substrate , and on-target inhibition of NOTCH receptor-related signalling by semagacestat treatment is proposed to be (at least in part) responsible for the unacceptable side effects that were noted in clinical trials, and which lead to termination of the trials ." . "Begacestat is a thiophene sulfonamide gamma-secretase inhibitor (GSI) for Alzheimer's Disease that selectively inhibits cleavage of APP over Notch ." . "Amlodipine is a long-acting dihydropyridine class calcium channel blocker.
Amlodipine is on the World Health Organisation's List of Essential Medicines. Click here to access the pdf version of the WHO's 21st Essential Medicines list (2019)." . "Reference specifies that this compound is a racemic mixture, outlined in the paper as being comprised of stereoisomers syn- and anti- BrP-LPA (compounds 1a and 1b respectively). The configuration of the bond to the bromine atom determines and stereochemistry of the compound, and we do not specify an individual isomer here therefore this ligand entry represents the mixture." . "Sermorelin is a synthetically produced 29-amino acid peptide (GRF1-29-NH2) representing the amino-terminal segment of endogenous human growth hormone-releasing hormone. The approved drug is the acetate salt of the amidated peptide. For a representation of the chemical structure of this peptide which does not specify stereochemistry, please see CID 16129620." . "Anacardic acid has been ascribed activity as a histone acetyltransferase (HAT) inhibitor. However, a 2017 article by Dahlin et al. suggests that anacardic acid non-specifically perturbs biological assays, bringing in to question its HAT inhibitor activity ." . "Curcumin's physicochemical properties imply that it is an implausible clinical lead . It is unstable, reactive, and nonbioavailable, and has been identified as having attributes of both PAINS (pan-assay interference compounds) and IMPS (invalid metabolic panaceas) compounds." . "The is some ambiguity as to the exact stereochemistry of garcinol, with several representations of the structure listed on PubChem. It has been ascribed activity as a histone acetyltransferase (HAT) inhibitor. However, a 2017 article by Dahlin et al. suggests that the garcinol non-specifically perturbs biological assays, bringing in to question its HAT inhibitor activity ." . "Epigallocatechin-3-gallate (EGCG) is one of the catechins that are found in green tea. It had been ascribed activity as a histone acetyltransferase (HAT) inhibitor. However, a 2017 article by Dahlin et al. suggests that the thiol-reactivity of EGCG brings in to question its activity as a HAT inhibitor . Amongst the plethora of health benefits attributed to the catechins, EGCG has demonstrated broad-spectrum antiviral activity .

SARS-CoV-2 and COVID-19: In relation to SARS-CoV-2, molecular docking analysis suggests that EGCG interacts with the virus' S protein and main protease (Mpro; 3CLpro) . Evidence also suggests that catechins bind to the S1 ubiquitin-binding site of the virus' second protease PLPro. It is hypothesised that inhibiting PLPro will reduce the enzyme's inhibitory function on the host ubiquitin proteasome and interferon stimulated gene systems, thus targeting some of the inflammatory aspects of SARS-CoV-2 infection." . "Plumbagin is a genotoxic and mutagenic plant-derived toxin. It has some activity as a histone acetyltransferase (HAT) inhibitor, however a 2017 article by Dahlin et al. suggests that the thiol-reactivity of plumbagin brings in to question its HAT inhibitor activity ." . "The structure represented here was drawn from , with our structure showing the charges on the nitro functional group. However, this molecule is drawn with one unspecified bond in which matches PubChem CID 2871948.
A 2017 article by Dahlin et al. suggests that the thiol-reactivity of C464 brings in to question its activity as a selective HAT inhibitor , and this is somewhat confirmed by evidence of histone deacetylase inhibition reported in ." . "Trichostatin A Inhibits Class I and II histone deacetylases (HDACs), but NOT the Class III HDACs (sirtuins (SIRTs) 1-7), so is therefore a useful probe of histone deacetylase activity. HDAC1 has been tagged as the drug's primary target for data retrieval purposes only and in no way infers that this is the only target of this drug." . "Romidepsin is an anticancer agent originally isolated from the bacterium Chromobacterium violaceum, but subsequently produced synthetically. Romidepsin is an inhibitor of Class II histone deacetylases (HDACs)." . "Entinostat (MS-275) inhibits Class I histone deacetylases (HDACs 1, 2, 3 & 8), but has been shown to be somewhat selective for HDAC1 . Studies in rodent models of inflammation suggest that inhibition by entinostat may be clinically useful , perhaps more so than broader acting Class I HDAC inhibitors such as vorinostat (SAHA) ." . "Mocetinostat inhibits Class I HDACs ." . "BTB07018 is a non-competitive inhibitor of aminopeptidase N . It was discovered in the same virtual screening study as ." . "Valproic acid is a fatty acid with anticonvulsant properties. It is commonly administered in a salt preparation, valproate sodium." . "Rocilinostat is an investigational HDAC6 inhibitor . But note that it exhibits only ~10-fold enzymic selectivity against the class I isoform, HDAC1." . "Tazemetostat is an oral, potent, first-in-class inhibitor of the histone methyltransferase, enhancer of zeste 2 polycomb repressive complex 2 subunit (EZH2) that was developed by Epizyme as anovel drug for the treatment of solid tumours and lymphomas with speciific genetic alterations. Link to Epizyme's tazemetostat webpage here." . "GSK126 is a potent and selective small-molecule inhibitor of EZH2 (KMT6) methyltransferase activity . This is likely to be the ligand with the extended reseaerch code GSK2816126, which has anti-lymphoma potential." . "EI1 is a potent and selective small molecule inhibitor of EZH2 (aka KMT6) ." . "Exemestane is a steroidal aromatase inhibitor." . "BIX-01294 is a histone methyltransferase inhibitor .
BIX-01294-induced inhibition of H3K9me2 levels and upregulation of schizophrenia candidate gene expression suggests some therapeutic potential for histone modifying pharmacology in the treatment of schizophrenia ." . "This is a compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection." . "BRD4770 may be hydrolysed to BRD9539 (see ) in cells, with the latter being the more active compound." . "UNCO0642 is compound 7 in . This is a compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection." . "Bromo-deaza-SAH is a small molecule inhibitor of the chromatin modifying enzymes DOT1-like histone H3K79 methyltransferase (DOT1L) and DNA (cytosine-5-)-methyltransferase 1 (DNMT1)." . "Compound 74 is one of the analogues assessed in as a potential cell division cycle 7 (cdc7) inhibitor." . "Pinometostat acts as a DOT1-like histone H3K79 methyltransferase (DOT1L) inhibitor that is being progressed through clinical evaluation in a collaboration between Cellgene and Epizyme, to evaluate its antileukemic efficacy in mixed-lineage leukemia (MLL)-rearranged leukemias. Link to Epizyme's pinometostat webpage here." . "SGC0946 is a brominated analogue of and is a DOT1L inhibitor . This is a compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection." . "Isolated from a culture of a Streptomyces sp. obtained from a tropical marine sediment ." . "OG-L002 is a potent and selective inhibitor of the histone demethylase, lysine (K)-specific demethylase 1A (KDM1A aka LSD1)." . "This is the 1S, 2R optical isomer of NCL-1. This isomer is more biologically active than the 1R, 2S isomer .

Histone demethylation by KDM1A is suggested to be associated with some cancers and herpes simplex infection . So, KDM1A inhibitors are of interest both as investigational tools and potential disease modifiers." . "ME0328 is an experimental probe compound which selectively inhibits the activity of poly (ADP-ribose) polymerase 3 (PARP3) ." . "Daminozide was used as a plant growth regulator but was withdrawn from use following public concern over risks to health posed by long term exposure, although the evidence of the level of risk is controversial. Investigations are now under way to assess the utility of daminozide as a histone demethylase inhibitor ." . "PBIT is a small molecule inhibitor of the histone demethylase subfamily KDM5 ." . "GSK-J1 is a catalytic site inhibitor that is somewhat selective for the H3K27me3-specific demethylases KDM6A and 6B (a.k.a. UTX and JMJD3 respectively) . The compund has also been shown to inhibit H3K4me3/me2 catalysed by KDM5 enzymes in vitro .
This is a compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection. It reduces lipopolysaccharide-induced proinflammatory cytokine production by human primary macrophages, a process that depends on both JMJD3 and UTX." . "We show the structure of J Acid urea as the parent molecule of AMI-1; AMI-1 is the sodium salt of this compound (see PubChem CID 16760626)" . "This compound is a selcetive inhibitor of PRMT4 ." . "This compound is an allosteric inhibitor of PRMT3 . The X-ray structure of compound 1 co-crystalised with PRMT shows binding at a novel site, distinct from the SAM (S-adenosyl methionime) and substrate peptide binding pockets . The Protein Databank (PDB) ID for this structure is 3SMQ, with the ligand called TDU rather than compound 1." . "I-BET compounds such as molibresib are acetyl histone mimetics.

According to GSK's pipeline web resource they have terminated development of molibresib in cancer, as their emerging data did not support progression." . "Apabetalone (RVX 208) is a derivative of the plant polyphenol . RVX 208 is an investigational inhibitor of BET bromodomain containing proteins, with potential anti-atherosclerotic action for the treatment of cardiovascular disease (CVD) .

SARS-CoV-2 and CIVID-19: Apabetalone (RVX 208) has been reported to reduce ACE2 expression and hence SARS-CoV-2 infection in vitro , and to block inflammation-mediated cardiac injury and dysfunction that is caused by SARS-CoV-2 infection (in a study using human cardiac organoids) . It has been respositioned for potential to provide a cardio-protective therapy that prevents COVID-19-mediated cardiac damage." . "This compound is a member of a new class of histone acetyltransferase inhibitors known as bisubstrate inhibitors. It is formed from coenzyme A modified with peptide side chains of histone H3 sequence. See Lau et al (2000) for structural details . The 3 dimensional structure of this compound in complex with GCN5 histone acetyltransferase (KAT2A) has been published . For a review of compounds being investigated as modulators of histone-modifying enzyme activity see ." . "Lys-CoA, a histone acetyltransferase inhibitor, is a simple peptide-co-enzyme A conjugate. See Lau et al (2000) for structural details . For a review of compounds being investigated as modulators of histone-modifying enzyme activity see ." . "C21 is a synthetic analogue of a histone H4 tail peptide sequence bearing a chloroacetamidine side group. This compound was developed as a protein arginine methyltransferase (PRMT) inhibitor. Full information describing the design and synthesis of C21 is available in Obianyo et al (2011) ." . "AZD2858 is an orally active inhibitor of glycogen synthase kinase 3 beta (GSK-3β) ." . "The active metabolite of dimethyl fumarate is ." . "Indisulam is an anticancer sulfonamide that is in clinical development. This compound belongs to the family of carbonic anhydrase inhibitors. It also behaves as a type of molecular glue that targets certain proteins for ubiquitination and proteasomal degradation , by bringing them into the proximity the CUL4-DDB1-DDA1-DCAF15 E3 ubiquitin ligase complex." . "Zonisamide is a sulfonamide anticonvulsant." . "S-EMCA (INT-777) is a potent and selective agonist of the G-protein-coupled bile acid receptor TGR5 (gene symbol GPBAR1) which is formally known as the GPBA receptor . The GPBA receptor was historically identified as a metabolic regulator with roles in energy homeostasis, bile acid homeostasis, and glucose metabolism. More recently additional functions for the GPBA receptor such as regulation of the inflammatory response, cancer and liver regeneration have been described ." . "ZM-306416 is reported as an inhibitor of VEGFR and EGFR . Hennequin et al (1999) report selectivity for VEGFR2 (KDR) over VEGFR1 (Flt-1) (ZM-306416 is compound 4 in )." . "Teduglutide is a glucagon-like peptide-2 (GLP-2) analogue in which position 2 amino acid alanine is replaced by glycine, increasing the peptide's resistance to proteolytic cleavage by dipeptidyl peptidase-4 (DPP-4) . The chemical structure shown here was generated using the SMILES from PubChem CID 16139605. The intestinotrophic effects of GLP-2 (e.g. promotion of intestinal growth, reduced epithelial cell apoptosis and inflammation) has led to the development of GLP-2 analogues like teduglutide for the treatment of GI disorders such as short bowel syndrome and inflammatory bowel diseases." . "Perampanel is an anticonvulsant. The drug is administered as perampanel hydrate.
It is first and only FDA-approved non-competitive AMPA (alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid) receptor antagonist." . "Isosorbide dinitrate acts as a vasodilator. It is similar to nitroglycerin, but is slower to act." . "Isosorbide mononitrate is termed a nitrate drug and acts as a vasodilator. It is similar to nitroglycerin, but is slower to act." . "Nitroglycerin acts as a vasodilator." . "Sucralfate is a complex of sucrose, sulfate and aluminum which is basic in nature and has an overall negative charge.

Note that this is a complicated chemical complex. Different chemical databases represent this compound in different ways, all of which are valid. The ChEMBL compound is represented by the entry CHEMBL2367706, with separate aluminium hydroxide ions, whereas the structure we show has these ions in association with the sulphites on the core disaccharide sugar. PubChem CID 70789197 also represents the aluminium hydroxide groups in a different way." . "This compound is a selective inhibitor of HDAC6 ." . "This compound is a selective HDAC6 inhibitor, and is approximately 55 times more selective for HDAC6 compared to HDAC1 ." . "This compound is already used to inhibit NF-κB activation, but is also reported to be a selective inhibitor of HDAC6 ." . "Beclometasone is the active form of the prodrug beclometasone dipropionate." . "A topically applied corticosteroid." . "GE-137 is a cyclic peptide constructed as a fluorescent probe for the detection of colorectal polyps by binding to human tyrosine kinase c-Met ." . "Marketed medications may contain dipropionate (eg Diprosone® and Diprolene®), sodium phosphate (eg Bentelan®) or valerate (eg Betnovate® and Celestone®) formulations." . "Clobetasol is a highly active, topical corticosteroid." . "Daunorubicin is an anthracycline class chemotherapeutic for cancer treatment.
Daunorubicin is on the World Health Organisation's List of Essential Medicines. Click here to access the pdf version of the WHO's 21st Essential Medicines list (2019)." . "Deserpidine is chemically related to ." . "PubChem CID 9862598 represents this molecule with alternative stereochemistry." . "Desogestrel is a progestin (synthetic progesterone-like agent) widely used in third-generation hormonal contraceptives. Desogestrel is converted to (3-ketodesogestrel) in vivo. There has been controversy surrounding reports that third-generation oral contraceptives containing desogestrel pose a risk of dangerous blood clots compared to older second-generation oral contraceptives." . "Desonide is a corticosteroid." . "Desoximetasone is a corticosteroid." . "Diflorasone is a corticosteroid." . "Fluocinonide is a corticosteroid." . "Epicillin is an amino penicillin ." . "Doxorubicin is an anthracycline type anti-neoplastic drug." . "Dyphylline is a bronchodilator and vasodilator." . "Ethinylestradiol is contained in a large number of combined oral contraceptive formulations and HRT medications. Use of ethinylestradiol, unapposed by a progestin, increases the risk of endometrial cancer." . "This compound is a progestin." . "Compound 70 is a potent, peripherally acting, selective antagonist of the cannabinoid CB1 receptor, with much reduced adverse CNS effects than ." . "Famotidine is a histamine H2 receptor antagonist. The drug is poorly soluble in the low pH of the stomach so suffers from poor bioavailability. Low dose (10-20 mg) famotidine is available over-the-counter in some countries. Marketing of a combination of famotidine with antacids magnesium hydroxide and calcium carbonate (Pepcidtwo®) has been officially discontinued in the UK (2015)." . "Flumethasone pivalate is a corticosteroid." . "Flunisolide is a corticosteroid." . "Fluocinolone acetonide is a corticosteroid." . "SD-208 is a selective, ATP-competitive inhibitor of TGFβR1 (ALK5) . SD-208 is compound 14 in patent WO2005032481 ." . "Fluorometholone is a corticosteroid." . "Fluticasone propionate is a corticosteroid, high affinity and selective glucocorticoid receptor agonist." . "Hydrocodone is an opioid receptor agonist." . "Hydromorphone is an opioid receptor agonist." . "Idarubicin is an anthracycline type antineoplastic drug." . "Loteprednol is a corticosteroid." . "Medrysone is a corticosteroid." . "Mestranol is the inactive prodrug of ethinylestradiol. Marketing authorisation is for a combined norethisterone/mestranol formulation." . "Methylprednisolone is a corticosteroid.
Marketed formulations may contain methylprednisolone acetate (PubChem CID 5877).
Methylprednisolone has been reported to activate the TRPC5 ion channel . Methylprednisolone-induced activation of TRPC5 is long lasting, reversible and sensitive to the TRPC5 inhibitor ." . "Oxymorphone is an opioid drug." . "Mitomycin C is an antineoplastic drug, with DNA alkylating activity. It is one of the mitomycin family of compounds, isolated from Streptomyces caespitosus or Streptomyces lavendulae." . "This compound is a prodrug. The active metabolite is its 5'-triphosphate, ara-GTP." . "Norgestimate is an acetylated progestin (synthelic progesterone-like compound). It is converted to the primary active metabolite norelgestromin (17-deacetylnorgestimate or levonorgestrel 3-oxime) in vivo. 17-deacetylnorgestimate does not cause the androgenic side effects associated with other 19-nortestosterone progestins." . "Oxandrolone is a synthetic anabolic steroid." . "Oxycodone is an opioid drug." . "Pentoxifylline is a methylated xanthine derivative drug which acts as a competitive non-selective phosphodiesterase (PDE) inhibitor ." . "Prednisone is a corticosteroid." . "Quinestrol is a synthetic estrogen." . "Rescinnamine is an angiotensin-converting enzyme (ACE) inhibitor. There is no information regarding approval for clinical use of this drug on the US FDA website. Other national approval agencies may have granted marketing authorisation." . "Rimexolone is a corticosteroid." . "Testosterone propionate is an anabolic steroid. In vivo testosterone propionate is hydrolysed to testosterone which is the active compound." . "Topotecan is a semisynthetic analogue of the natural plant alkaloid camptothecin (PubChem CID 24360). Camptothecin was first isolated from the bark and stem of Camptotheca acuminata, the Chinsese happy tree. Topotecan is an anticancer drug which causes DNA strand breaks and leads to cell-cycle arrest and cell death.
Marketed formulations may contain topotecan hydrochloride (PubChem CID 60699)." . "Travoprost is an analogue of prostaglindin F2α (). The drug itself is a prodrug that is hydrolysed in vivo to an active free acid form." . "Ursodeoxycholic acid (UDCA) acts as an antagonist of the bile acid receptor farnesoid X receptor (FXR) .

SARS-CoV-2 and COVID-19: ACE2's presence on host cells confers susceptibility to SARS-CoV-2 infection. UDCA attenuates bile acid-induced, FXR-mediated upregulation of ACE2 expression in vitro and in vivo . For this effect, UDCA has been proposed as a repurposing drug with antiviral potential against SARS-CoV-2. It is hypothesised that UDCA would reduce SARS-CoV-2 infection potential by lowering the number of ACE2 binding sites on relevant tissues. In support of this theory, a correlation between UDCA treatment for liver conditions and a lower risk of developing severe COVID-19 has been identified,

Ursodeoxycholic acid is found in large quantities in bear bile and this results in the practice of 'farming' bears for bile extraction, in some countries." . "Compound 21 is a potent inhibitor of TYRO3 protein tyrosine kinase (Sky kinase) . It is suitable as an in vitro and in vivo tool to probe the effects of Sky inhibition." . "Vinorelbine is an anti-mitotic chemotherapy drug." . "Acamprosate is a NMDA glutamate receptor antagonist and a positive allosteric modulator of GABAA receptors.
Marketed formulations contain acamprosate calcium (PubChem CID 155434)." . "Acebutolol is a β-blocker." . "Alfentanil is an opioid analgesic." . "Alfuzosin is an α1-adrenergic receptor antagonist." . "MI-1148 is reported as an inhibitor of furin , with potential as an anti-infective agent active against avian influenza and canine distemper viruses. MI-1148 is structurally related to ." . "Almotriptan is a triptan (tryptamine-based) drug that acts as an agonist of serotonin 5-HT1B/1D receptors . It is used to treat migraine headaches but does not prevent or cure them." . "Alprazolam is a benzodiazepine drug." . "Altretamine is a DNA alkylating agent" . "Amlexanox has anti-inflammatory , antiallergic and immunomodulatory actions . Proposed to inhibit IKKδ and TBK1, albeit with low potency ." . "Anagrelide is a phosphodiesterase inhibitor with antiplatelet activity ." . "Compound 10f is reported to inhibit neutrophil elastase and carboxyl ester lipase (aka cholesterol esterase) ." . "A piperidine analgesic, similar to pethidine but with improved analgesic activity.
Marketed formulations may contain anileridine hydrochloride (PubChem CID 197194) or anileridine phosphate (PubChem CID 16051989)." . "There is no information regarding approval for clinical use of this drug on the US FDA website. Other national approval agencies may have granted marketing authorisation." . "Apraclonidine is a derivative which acts as sympathomimetic α2-adrenoceptor agonist." . "Atomoxetine is primarily a norepinephrine (noradrenaline) reuptake inhibitor (NRI), with weak inhibitory effects on SERT (serotonin reuptake), and DAT (dopamine reuptake)." . "Azatadine is a first-generation antihistamine and anticholinergic drug. Its marketing has been discontinued in many countries as its use has largely been repleaced by newer and more effective alternatives." . "Azathioprine is an immunosuppressive antimetabolite. The active drug is believed to be .
Marketed formulations may contain azathioprine sodium (PubChem CID 23678403)." . "There is no information regarding approval for clinical use of this drug on the US FDA website. Other national approval agencies may have granted marketing authorisation." . "Bendroflumethiazide is a thiazide diuretic." . "Oxybuprocaine is an ester-type local anaesthetic, useful in ophthalmology and otolaryngology procedures." . "Benzquinamide is a largely discontinued antiemetic drug." . "Benzthiazide is a thiazide diuretic. It is no longer available in the US or UK, but marketing may be authorised by other national approval agencies." . "Betazole is a derivative of ." . "Biperiden is a centrally active anticholinergic drug." . "Bisoprolol is a β-blocker, selective for β1-adrenoceptors in cardiac tissue. The S(-) enantiomer is believed to account for most of its β-blocking activity.
Marketed formulations may contain bisoprolol fumarate (PubChem CID 6917733)." . "Butalbital is a barbiturate drug." . "Bretylium is a substrate for the noradrenaline transporter so it accumulates inside nerve terminals which have this transporter. This accumulation underlies its inhibitory action on the sympathetic nervous system. Bretylium tosylate is no longer available in the US." . "Bromfenac is a nonsteroidal anti-inflammatory drug (NSAID).
Marketed formulations may contain bromfenac sodium (PubChem CID 23693301)." . "Bromazine (bromodiphenhydramine) is an antihistamine. This drug also has antimicrobial action but is known to cause drowsiness. The only information regarding approval for clinical use of this drug on the US FDA website is in a drug combination with codeine. Other national approval agencies may have granted marketing authorisation." . "Brompheniramine is a racemic mixture of stereoisomers. We show the non-isomeric molecule to represent the mixture. The pharmacologically active isomer is ." . "Compound 10l is reported to inhibit neutrophil elastase and carboxyl ester lipase (aka cholesterol esterase) ." . "Buclizine is a piperazine derivative antihistamine and anticholinergic drug, with antiemetic properties." . "The approval status for use of this drug was submitted for re-evaluation by the European Medicines Agency in 2002, following public health concerns around serious adverse reactions associated with its use. These included depression, suicidal thoughts, suicide, seizures, undesirable cardiovascular effects, and angioedema. EU Member States regulatory authorities agreed to keep the product under regular review.
Marketed formulations usually contain bupropion hydrochloride (PubChem CID 62884)." . "Busulfan is a DNA alkylating agent. It has an immunosuppressive effect on bone marrow, especially inhibiting growth of granulocytes." . "Butabarbital is a prescription barbiturate sedative. It is used in relatively few countries due to its potential for abuse and dangerous interaction in combination with alcohol." . "Carbinoxamine is an antihistamine." . "Carphenazine is an antipsychotic drug. There is no information regarding approval for clinical use of this drug on the US FDA website. Other national approval agencies may have granted marketing authorisation. The Electronic Medicines Compendium (eMC) lists buclizine only as an active ingredient in a multi-component, anti-migraine treatment alongside paracetamol and codeine.
Marketed formulations may contain carphenazine maleate (PubChem CID 20838085)." . "Carprofen is a non-steroidal anti-inflammatory drug (NSAID), although it is no longer marketed for human use and now seems to be used exclusively by vets." . "Carteolol is a β-blocker, selective for β1-adrenoceptors in cardiac tissue." . "Chlorambucil is a DNA alkylating agent." . "Chloroprocaine is a short-acting ester anaesthetic. It has a significantly shorter duration of action than and is significantly less toxic." . "Chlorotrianisene is a non-steroidal estrogen mimic." . "Chlorthalidone is a thiazide-like diuretic. It has a longer duration of action than other thiazide drugs." . "Cilostazol is a quinolinone-derivative phosphodiesterase (PDE) inhibitor." . "Clobazam is a benzodiazepine drug." . "Compound 28 is reported to inhibit complement component 1, s subcomponent (C1S), with excellent selectivity over uPA (urokinase plasminogen activator) and good selectivity over tPA (tissue plasminogen activator), FXa, thrombin, and plasmin ." . "Clopidogrel is a prodrug converted by liver CYP450 via 2-oxo-clopidogrel to an active metabolite, listed in GtoPdb as . Marketed formulations may contain clopidogrel bisulfate (PubChem CID 115366)." . "Cyclizine is an antihistamine drug used primarily for its anti-nausea and antiemetic actions.
Cyclizine is on the World Health Organisation's List of Essential Medicines. Click here to access the pdf version of the WHO's 21st Essential Medicines list (2019)." . "Cyclobenzaprine is a tricyclic antidepressant similar to . It acts as a skeletal muscle relaxant and central nervous system (CNS) depressant." . "Cyclopentolate is an anti-muscarinic drug similar to and ." . "Epinastine is an antihistamine." . "Cyclophosphamide is an alkylating agent of the nitrogen mustard type. It is converted in vivo to the active metabolite 4-hydroxy cyclophosphamide by liver cytochrome P450 (CYP) enzymes. It is used mainly as a cancer chemotherapeutic. It can be used to treat autoimmune conditions, but as it has severe and life-threatening side-effects, other less toxic medications may be the preferred option following an acuteautoimmune crisis.
Cyclophosphamide is on the World Health Organisation's List of Essential Medicines. Click here to access the pdf version of the WHO's 21st Essential Medicines list (2019)." . "Marketed formulations may contain apiprazole hydrochloride (PubChem CID 6917787)." . "Desflurane is a highly fluorinated methyl ethyl ether general anaesthetic. it is a racemic mixture of (R) and (S) optical isomers (enantiomers). We show the chemical structure without specified stereochemistry to represent the mixture. Desflurane is a greenhouse gas." . "Desloratadine is a tricyclic H1-antihistamine. It is the major metabolite of ." . "Desvenlafaxine belongs to the group of serotonin–norepinephrine reuptake inhibitors (SNRIs) which are antidepressants. Desvenlafaxine is the major active metabolite of ." . "Marketed formulations may contain dibucaine hydrochloride (PubChem CID 521951)." . "Dienestrol is a synthetic, non-steroidal estrogen of the stilbestrol group. It is a close analogue of ." . "Diethylpropion is a stimulant drug (of the phenethylamine, amphetamine, and cathinone classes) used for its appetite suppressing action." . "Diflunisal is a nonsteroidal anti-inflammatory drug (NSAID)" . "Meperidine is an opioid analgesic." . "Diphenidol is a muscarinic antagonist , antiemetic and antivertigo drug." . "Diphenoxylate is a phenylpiperidine series, centrally-active opioid antidiarrheal drug. Diphenoxylate is metabolised in vivo to form . Both diphenoxylate and difenoxin can be proescribed in fixed-dose combination with atropine to act as an abuse deterrent. Atropine causes severe weakness and nausea if standard doses are exceeded." . "Diphenylpyraline is a first-generation diphenylpiperidine antihistamine with anticholinergic effects." . "Dipivefrin is a prodrug of adrenaline/epinephrine." . "Zopolrestat is an experimental aldose reductase inhibitor." . "Marketed formulations may containdisopyramide phosphate (PubChem CID 30928)." . "Disulfiram inhibits acetaldehyde dehydrogenase to expedite acetaldehyde accumulation and rapid onset (within 5-10 minutes of alcohol intake) of the unpleasant effects typical of a hangover." . "Doxapram is an analeptic, ie it is a central nervous system stimulant.
Marketed formulations may contain doxapram hydrochloride (PubChem CID 64647)." . "Doxazosin blocks α1-adrenoceptors.
Marketed formulations may contain doxazosin mesylate (PubChem CID 62978)." . "Lenvatinib is a potent inhibitor of VEGFR-2 (KDR) and VEGFR-3 (FLT4) ." . "Doxylamine is an antihistamine." . "Droperidol has sedative, tranquilising, and anti-nausea actions." . "Dyclonine is a local anesthetic.
Marketed formulations contain dyclonine hydrochloride (PubChem CID 68304)." . "Emedastine is an antihistamine." . "Enflurane is a halogenated ether inhalational anaesthetic, but it is no longer in common use. It is a structural isomer of ." . "Escitalopram is a selective serotonin-reuptake inhibitor (SSRI) drug. It is the S-enantiomer of .
Marketed formulations may contain escitalopram oxalate (PubChem CID 146571). An X-ray structure of SERT bound by escitalopram ((S)-citalopram) reveals two binding sites for the drug: one central site, and one allosteric site . When (S)-citalopram binds the allosteric site, it prevents unbinding of ligand at the central site, thereby preventing further ligand transport." . "Esmolol is a β-blocker.
Marketed formulations may contain esmolol hydrochloride (PubChem CID 104769)." . "Ethacrynic acid is a loop diuretic." . "Ethchlorvynol's use has largely been replaced by safer alternative hypnotics." . "5H3'FPE is a potent inhibitor of cytochrome P450 enzymes 1B1 (CYP1B1), 1A1 (CYP1A1) and 1A2 (CYP1A2) (in order of decreasing potency) ." . "Ethopropazine is a phenothiazine derivative drug." . "Ethosuximide is a succinimide anticonvulsant. It is often preferred over as it does not produce the same hepatotoxicity." . "Ethotoin is an anticonvulsant drug." . "Etidronic acid is a bisphosphonate drug." . "Etodolac is a nonsteroidal anti-inflammatory drug (NSAID)." . "Fenofibrate is an antilipemic agent. Combination drug formulations often contain statins." . "Marketed formulations may contain flavoxate hydrochloride (PubChem CID 441345)." . "Flurazepam is a benzodiazepine drug.
Marketed formulations may contain flurazepam hydrochloride (PubChem CID 37368)." . "Fluvoxamine is an antidepressant belonging to the selective serotonin reuptake inhibitor (SSRI) drug group.
Marketed formulations may contain fluvoxamine maleate (PubChem CID 9560989).

SARS-CoV-2 and COVID-19: Evidence that is emerging from randomised, placebo-controlled clinical trials suggests that fluvoxamine may offer potential as a therapuetic for non-hospitalised COVID-19 patients. Multiple fluvoxamine mechanisms of action may be at play , and much remains to clarified about the patients who would benefit most, efficacy in infections with different SARS-CoV-2 variants, and whether fluvoxamine's effect occurs in addition to the benefit demonstrated by other therapies." . "Compound 30 was designed to inhibit cytochrome P450 2C19 (CYP2C19) . It is a structural analogue of ." . "Fosphenytoin is a prodrug of phenytoin. This drug is an anticonvulsant.
Marketed formulations may contain fosphenytoin sodium (PubChem CID 56338)." . "Frovatriptan is a triptan (tryptamine-based) drug." . "This drug has hypnotic and sedative actions." . "Guanadrel is a postganglionic adrenergic blocking drug." . "Note that the USAN (United States Adopted Name) refers to the hydrochloride salt which has PubChem CID 6918313." . "Marketed formulations may contain guanethidine monosulfate (PubChem CID 86471)." . "Halazepam is benzodiazepine drug." . "Hexylcaine is a short-acting local anaesthetic." . "Hydroflumethiazide is a diuretic." . "Hydroxychloroquine (HCQ) is a 4-aminoquinoline and used primarily as an antimalarial drug.
The approved drug is a racemic mixture and we show the chemical structure without stereochemistry to represent the mixture. The non-isomeric structure is also represented in the PubChem, ChEMBL and ChEBI entries listed in the links table below, while the two enantiomers forming the racemate are represented by PubChem CID 178395 and PubChem CID 178396.
The marketed formulations contain hydroxychloroquine sulfate (PubChem CID 3044369).

Activity at non-malarial protein targets:
Although this drug has direct effects on survival of the malaria parasite it also appears to be an antagonist of two of the human TOLL-like receptors (TLR7 and TLR9). Antagonism of these receptors is likely related to the anti-inflammatory action of this drug in auto-immune diseases. Some patients with systemic lupus erythematosus (SLE) and rheumatoid arthritis are prescribed HCQ .

Activity against SARS-CoV-2:
Hydroxychloroquine exhibits in vitro antiviral activity against both the original SARS coronavirus (SARS-CoV) and SARS-CoV-2 which emerged in 2019 . Extreme caution must be taken when condisering using hydroxychloroquine (HCQ) as it has severe cardiac adverse effects, and in addition its distribution to lung tissue is unknown. There was much hype around repositioning HCQ to treat COVID-19. But this was based on preliminary evidence from a cohort of COVID-19 patients in a VERY small study and anecdotal evidence that patients taking HCQ for other diseases fared better if they developed COVID-19. There was also a lot of controversy around some of the larger scale trials, particularly of how they were carried out, and/or how they were reported or published. Results from subsequent well run, well powered, large scale RCTs does not support any clinical benefit from HCQ in COVID-19 patients. HCQ may even pose an acceptable risk of harm in COVID19 patients . Derek Lowe's 'In the PIPELINE' blog (https://bit.ly/31C7DT1) provides a systematic and considered anaylsis of the (lack of) potential for hydroxychloroquine/chloroquine for COVID-19." . "Hydroxyzine is a first-generation diphenylmethane and piperazine class antihistamine. Second-generation antihistamine is one of the metabolites of hydroxyzine, but cetirizine differs in that it appears not to cross the blood-brain barrier to any significant level." . "Ibutilide is an antiarrhythmic drug.
Marketed formulations may contain ibutilide fumarate (PubChem CID 6437366)." . "Ifosfamide is a DNA alkylating drug, and has additional immunosuppressant action. Ifosfamide is biologically inactive. In vivo metabolism is necessary to generate the active substance, isophosphamide mustard (IPM; PubChem CID 100427) ." . "Inamrinone is a phosphodiesterase inhibitor.
Marketed formulations may contain inamrinone lactate (PubChem CID 3035194)." . "This compound binds to the Brd1 bromodomain of BRD4, with approximately 4-fold selectivity over the Brd2 bromodomain .
PubChem CID 72672988 represents an alternative isomer of this molecule." . "Indapamide is a thiazide diuretic drug." . "Isocarboxazid is a monoamine oxidase inhibitor (MAOI)." . "Isoetharine is a bronchodilator. Note that the US FDA approved drug is isoetharine." . "Ketotifen is an antihistamine. This drug may be used in eye drop or oral formulations, where the active ingredient is ketotifen fumarate (PubChem CID 5282408)." . "BIC1 (BRD2-interactive compound-1) inhibits the interaction between BRD2-BD1 and acetylated histone H4K12 without affecting the K12 acetylation level of histone H4 ." . "This is a bioluminescent conjugated version of , that is used in vitro to monitor ligand-receptor interactions ." . "Marketed formulations may contain labetalol hydrochloride (PubChem CID 71412)." . "Lansoprazole is a proton pump inhibitor drug. The approved drug is a racemic mixture of chemical enantiomers; (S)-lansoprazole and . We show the non-stereoisomeric molecule to represent this mixture." . "Levallorphan is a morphinan class opioid receptor modulator." . "Levamisole is the levorotatory isomer of tetramisole (PubChem CID 3913). This drug was originally used to treat intestinal worm infestations, but also found use in cancer treatment due to its antineoplastic action. This drug is not currently in clinical use in the US or Canada." . "Marketed formulations may contain olodaterol hydrochloride (PubChem CID 11711522)." . "This drug is the (S)-enantiomer of ." . "Levomethadyl is a opioid analgesic." . "This drug is a prodrug of dexamphetamine. The amphetamine is released more slowly from this prodrug than by administering active amphetamine directly." . "Lomustine is an antineoplastic DNA alkylating agent." . "Mephentermine is a cardiac stimulant, but it does not belong to the cardiac glycosides drug family." . "Loperamide is an opioid-receptor agonist used as an anti-diarrheal agent. Although unreported previously, recent clinical cases of severe cardiotoxicity (and death) due to high-dose loperamide abuse have been reported ." . "Loratidine is an antihistamine; peripheral H1 receptor antagonist; antiallergic agent." . "Mechlorethamine is a nitrogen mustard and is the prototype alkylating anticancer chemotherapeutic. In addition, mechlorethamine is used in the synthesis of the opioid analgesic ." . "Meclofenamic acid is a non-steroidal anti-inflammatory drug (NSAID)." . "Meloxicam is a non-steroidal anti-inflammatory drug (NSAID) with analgesic and antipyretic actions." . "Mephenytoin is a hydantoin class drug. It is no longer available in the US or the UK." . "Mepivacaine is an amide class local anesthetic. It is a racemic mixture of enantiomers. We show the chemical structure without specified stereochemistry to represent the mixture." . "Meprobamate is a carbamate derivative anxiolytic drug. Use of meprobamate has largely been replaced by the benzodiazepines due to their wider therapeutic index and lower incidence of serious side-effects." . "Mercaptopurine has immunosuppressive action as well as antineoplastic activity." . "Compound 21n inhibits 15-lipoxygenase 2 (ALOX15B) in a cellular assay ." . "The approved drug contains a racemic mixture of enantiomers . The four possible isomers are depicted in PubChem CID 76960490. We show the non-isomeric molecule to represent this mixture." . "Mesuximide is marketed as a racemic mixture of stereoisomers; (R)-mesuximide and (S)-mesuximide. We show the non-stereo structure to represent the mixture." . "Metaraminol is the (1R,2S) stereoisomer of the racemate meta-hydroxynorephedrine (3,β-dihydroxyamphetamine; PubChem CID 4087)." . "Metharbital is a barbiturate anticonvulsant." . "This ML-peptide is reported to inhibit proprotein convertase subtilisin/kexin type 6 (PACE4) with >20-fold selectivity over furin ." . "Methixene is an antihistamine drug, with anticholinergic activity. There is no information regarding approval for clinical use of this drug on the US FDA website. Other national approval agencies may have granted marketing authorisation." . "Methohexital is a barbiturate." . "Methoxyflurane is a halogenated ether volatile inhalational anaesthetic. In the US it was withdrawn from the market for safety concerns (it is nephrotoxic and hepatotoxic) but is still available/used in other countries, including the UK (for emergency relief of moderate to severe pain in conscious adult patients as a result of trauma)." . "Methyclothiazide is a diuretic." . "Methylphenidate is a racemic mixture of optical isomers (enantiomers). We show the chemical structure without specified stereochemistry to represent the mixture. The most active (R,R) enantiomer is the approved drug . Methylphenidate is administered as the hydrochloride salt (PubChem CID 9280)." . "Alimemazine is a phenothiazine derivative antihistamine." . "Methyprylon is a piperidinedione derivative sedative. It is not available in the UK or US." . "Metipranolol is a β-blocker. The drug's active metabolite is desacetylmetipranolol (CHEMBL1201363)." . "The active metabolite of midodrine is desglymidodrine (CHEMBL1076).
Marketed formulations may contain midodrine hydrochloride (PubChem CID 18340)." . "LDC1267 is a selective inhibitor of TAM family kinases (Type XI receptor tyrosine kinases, TYRO3, Axl and MER) ." . "Mirtazapine is a tetracyclic antidepressant with complex polypharmacology involving certain adrenergic and serotonin receptors . It also has strong antihistamine effects." . "Marketed formulations may contain mitoxantrone hydrochloride (PubChem CID 5458171)." . "Mivacurium is a short-acting, nondepolarizing skeletal muscle relaxant." . "Moracizine is a phenothiazine derivative class Ic antiarrhythmic drug. Marketing by the original manufacturer has been discontinued." . "Compound 34 is a potent, reversible and selective inhibitor of 15-LOX-1 (ALOX15) ." . "Nabumetone is a non-steroidal anti-inflammatory drug (NSAID). Nabumetone is a prodrug metabilosed to the active component, 6-methoxy-2-naphthylacetic acid (6MNA; CHEMBL1105)" . "Nebivolol is a β-blocker, selective for β1-adrenoceptors.
Marketed formulations may contain nebivolol hydrochloride (PubChem CID )." . "Nefazodone is an antidepressant.
Marketed formulations may contain nefazodone hydrochloride (PubChem CID 54911)." . "Nizatidine is a histamine H2 receptor antagonist. It is structurally related to but has a thiazole ring substitution in place of the furan ring in ranitidine. Nizatidine was the last new histamine H2 receptor antagonist to be approved prior to proton pump inhibitors reaching the clinic." . "A subunit of several human relaxin-3 analogues described in the reference . Forms active heterodimers with a B chain." . "Olopatadine is an antihistamine.
Marketed formulations may contain olopatadine hydrochloride (PubChem CID 5282402)." . "Orciprenaline is a β-adrenoceptor agonist." . "Orphenadrine is a muscle relaxant.
Marketed formulations contain the citrate salt (PubChem CID 83823) or the hydrochloride (PubChem CID 9568).." . "Oxaprozin is a nonsteroidal anti-inflammatory drug (NSAID)." . "Oxazepam is a benzodiazepine drug." . "Oxcarbazepine is an anticonvulsant and antiepileptic drug." . "Oxprenolol is a β-adrenoceptor antagonist (β-blocker)." . "Oxyphencyclimine is a synthetic anticholinergic drug with gastrointestinal antispasmodic and antisecretory action." . "Oxyphenonium is a synthetic anticholinergic drug with gastrointestinal antispasmodic and antisecretory action." . "One of several human relaxin-3 analogues described in the reference . Forms the active heterodimer with an A chain." . "Synthetic analogue of the A chain of human INSL3." . "Paliperidone is an atypical antipsychotic. Mechanistically it is a dopamine receptor and 5-HT2A receptor antagonist." . "Pamidronic acid is a bisphosphonate drug." . "Pantoprazole is a proton pump inhibitor.
Marketed formulations may contain pantoprazole sodium (PubChem CID 15008962) or pantoprazole sodium sesquihydrate (PubChem CID 23690067)." . "Paramethadione is an anticonvulsant drug." . "Synthetic analogue of the A chain of human INSL3." . "Synthetic analogue of human INSL3, comprising an A and a B chain. The sequence of the B chain is the same as that of natural ligand and is shown on the ligand page for , while the sequence of the A chain is shown on the 'structure' tab. The reference describing the synthesis of this peptide includes a figure respresenting the structure including disulphide bond formation between the chains." . "Pargyline is a monoamine oxidase inhibitor (MAOI)." . "Penbutolol is a β-adrenoceptor antagonist (β-blocker)." . "Penicillamine is a chelating agent and an immunosuppressant." . "Phenacemide is a ureide (acetylurea) anticonvulsant. It is a congener and ring-opened analogue of the hydantoin , and is structurally related to the barbiturate family of drugs and other hydantoins. Use of phenacemide was widely discontinued due to toxic side-effects." . "Pipotiazine is a phenothiazine class typical antipsychotic." . "Phenelzine is a monoamine oxidase inhibitor (MAOI)." . "Pheniramine is an antihistamine.
Marketed formulations may contain pheniramine maleate (PubChem CID 5282139). Pheniramine is often contained in fixed-ratio formulations alongside other antihistamines and agents such as decongestants." . "Phenoxybenzamine is a non-selective, irreversible alpha blocker (α-adrenoceptor antagonist)." . "Phentermine is a stimulant similar to amphetamines." . "Conotoxin from Conus stercusmuscarum (Fly-specked cone)." . "Sea anemone toxin from Bunodosoma cangicum." . "Spider toxin from Macrothele gigas." . "Phenylbutazone was historically used as a nonsteroidal anti-inflammatory drug (NSAID). Although no longer approved for use in humans, this compound is widely used in animals to reduce muscular damage and inflammation. More recently, phenylbutazone, or 'bute', found notoriety as an illegal contaminant found in some meat samples tested in the European horse meat scandal of 2013. The UK Foods Standards Agency issued this statement regarding bute contamination." . "This is a DNA alkylating agent." . "Marketed formulations may contain (PubChem CID 171674)." . "Piroxicam is a nonsteroidal anti-inflammatory drug (NSAID) with analgesic and antipyretic activity.
Drug formulations contain β-cyclodextrin to increase bioavailability eg piroxicam betadex has PubChem CID 54723875." . "Ropinirole is a dopamine agonist. This drug is active at the dopamine-D2 and -D3 receptor subtypes, both centrally and peripherally." . "Polythiazide is a thiazide diuretic." . "Prazepam is a benzodiazepine type drug." . "Prilocaine is often an active ingredient in fixed-mixture medications along with .
Marketed formulations may contain prilocaine hydrochloride (PubChem CID 92163)." . "Probucol is a lipid-lowering drug. Marketing of this drug was ceased in 1995 in the US due to safety concerns." . "Toxin from Haplopelma schmidti (Chinese bird spider)." . "Toxin from Thrixopelma pruriens (Peruvian green velvet tarantula)." . "Procarbazine is a DNA alkylating agent." . "Prochlorperazine is a potent phenothiazine neuroleptic." . "Procyclidine is an anticholinergic drug." . "Promazine is a phenothiazine antipsychotic. It is generally prescribed alongside newer antipsychotics such as and ." . "Synthetic analogue of human INSL3, comprising an A and a B chain. The sequence of the B chain is the same as that of natural ligand and is shown on the ligand page for , while the sequence of the A chain is shown on the 'structure' tab. The reference describing the synthesis of this peptide includes a figure respresenting the structure including disulphide bond formation between the chains" . "This drug is a first-generation antihistamine with strong sedative and weak antipsychotic effects. Additional properties include antiemetic and anticholinergic actions." . "Proparacaine is a topical anesthetic drug." . "Propiomazine is an antipsychotic drug.
Marketed formulations may contain propiomazine hydrochloride (PubChem CID 71802)." . "Protriptyline is a tricyclic antidepressant.
Marketed formulations may contain protriptyline hydrochloride (PubChem CID 6603149)." . "Synthetic analogue of the B chain of human INSL3." . "Compound 30 was designed as an inhibitor of inducible microsomal prostaglandin E2 synthase (mPGES1; PTGES) ." . "Pseudoephedrine is a decongestant, often contained as one of the active ingredients in fixed-mixture cold and flu medications." . "This drug is often contained in fixed-mixture formulations with other antibacterial drugs beneficial in the treatment of TB (eg isoniazid and )." . "Quazepam is a benzodiazepine drug with hypnotic and anticonvulsant properties ." . "Quinethazone is a diuretic." . "Sevoflurane is a highly fluorinated methyl isopropyl ether inhalational anaesthetic, and it is one of the most commonly used inhalational anaesthetics. After , it is the volatile anaesthetic with the fastest onset and offset ." . "Rabeprazole is a proton pump inhibitor. This compound is a prodrug which is converted into the active sulphenamide form in the acid environment of the parietal cells.
Marketed formulations may contain rabeprazole sodium (PubChem CID 14720269)." . "The mechanism of action of ranolazine is largely unknown, but may have some antianginal effects by inhibition of the late sodium current in cardiac cells." . "Remifentanil is a synthetic opioid analgesic drug." . "Ritodrine is a tocolytic drug (ie an anti-contraction medication). Clinical use in the US has been discontinued.
Marketed formulations may contain ritodrine hydrochloride (PubChem CID 31728)." . "Synthetic analogue of human INSL5, comprising a truncated A chain and the natural sequence of the B chain of the endogenous peptide. The sequence of the A chain is linked to from this ligand page under the structure tab, and for the sequence of the B chain please see the ligand entry for ." . "Sotalol is a β-blocker & potassium channel blocker.
Marketed formulations may contain sotalol hydrochloride (PubChem CID 66245)." . "Suprofen is a nonsteroidal anti-inflammatory drug (NSAID) with analgesic and antipyretic activity." . "Tadafil is a phosphodiesterase type 5 (PDE5) inhibitor." . "Temazepam is a benzodiazepine drug, with sedative and hypnotic actions." . "Temozolomide is a DNA alkylating agent." . "Postsynaptic α1-adrenoceptor inhibitor.
Marketed formulations may contain terazosin hydrochloride (PubChem CID 44383)." . "Testolactone is a progestin." . "Tiabendazole is a fungicide and parasiticide with potential anti-angiogenic (or vascular disrupting) action ." . "Thiamylal is a barbiturate with sedative, anticonvulsant and hypnotic effects." . "Thiethylperazine is a phenothiazine class antiemetic. Experiments in a mouse model suggest it may have potential to clear amyloid-β (Aβ) load in Alzheimer's disease ." . "Ticlopidine is an antiplatelet drug. This compound is believed to be a prodrug, although the exact form of the active metabolite remains elusive." . "Tizanidine is a centrally acting α2-adrenoceptor agonist.
Marketed formulations may contain tizanidine hydrochloride (PubChem CID 114869)." . "Tocainide is a lidocaine analog." . "Chlophedianol is a centrally acting over-the-counter antitussive." . "Tolazoline is a non-selective α-adrenoceptor antagonist." . "Tolmetin is a nonsteroidal anti-inflammatory drug (NSAID) with analgesic and antipyretic activity.
Marketed formulations may contain tolmetin sodium (PubChem CID 23665411)." . "Torsemide is a loop diuretic." . "Triazolam is a benzodiazepine." . "AZD1332 is an inhibitor of neurotrophic tyrosine kinase receptors trkA, B and C (aka neurotrophic tyrosine kinase, receptor, type 1, 2 and 3). This compound is included in AstaZeneca's Open Innovation Pharmacology Toolbox." . "Trichlormethiazide is a diuretic." . "Trihexyphenidyl is an antispasmodic, antimuscarinic drug.
Marketed formulations may contain trihexyphenidyl hydrochloride (PubChem CID 66007)." . "Trimethadione is an anticonvulsant." . "Trimipramine is a tricyclic antidepressant (TCA) with antidepressant, anxiolytic, antipsychotic and sedative effects. Trimipramine is a racemic compound of two enantiomers; (S)-trimipramine and (R)-trimipramine. We show the non-stereo structure to represent the mixture.
Marketed formulations may contain trimipramine maleate (PubChem CID 5282318)." . "Lys-thiol is reported to be a potent inhibitor of aminopeptidase B ." . "Tripelennamine is a first-generation antihistamine. It also has serotonin reuptake inhibitor (SRI) activity, and was used as the template molecule in the development of the selective serotonin reuptake inhibitor (SSRI) . In addition, tripelennamine has dopamine reuptake inhibitor (DRI) activity." . "Tropicamide is an antimuscarinic drug." . "Vardenafil is a phosphodiesterase type 5 (PDE5A) inhibitor. Marketed formulations may contain vardenafil hydrochloride (PubChem CID 10142962)." . "Venlafaxine is a selective serotonin-norepinephrine reuptake inhibitor (SNRI); a bicyclic antidepressant. Venlafaxine is a racemic mixture of R (PubChem CID 9795623) and S (PubChem CID 11846746) stereoisomers, which have assay data in PubChem but its is unclear if these apply to the experimentally separated forms. Marketed formulations may contain venlafaxine hydrochloride (PubChem CID 62923).
The major active metabolite of venlafaxine, (O-desmethylvenlafaxine) has also been developed as a drug." . "This is a non-benzodiazepine drug." . "Ethinamate is a short-acting sedative-hypnotic type drug." . "Hydralazine is a hydrazinophthalazine class anti-hypertensiove drug.
Hydralazine is on the World Health Organisation's List of Essential Medicines. Click here to access the pdf version of the WHO's 21st Essential Medicines list (2019)." . "Thalidomide is principally an immunomodulatory drug. It inhibits synthesis of TNFα. Mechanistically, thalidomide binds to cereblon, and this complex recruits substrate proteins for degradation by the ubiquitin system. The lymphoid transcription factors Ikaros (IKZF1) and Aiolos (IKZF3) have been identified as substrates for thalidomide-bound cereblon. More recently another transcription factor, PLZF (ZBTB16), has been reported as a potential thalidomide/cereblon substrate . Knockdown of Plfz induces skeletal abnormalities in chicken limbs, so thalidomide-targeted degradation of PLZF would be predicted to exhibit similar teratogenic effects.

SARS-CoV-2 and COVID-19: Thalidomide + low-dose glucocorticoid is being evaluated for efficacy in severe COVID-19 pneumonia (preprint available here https://www.preprints.org/manuscript/202002.0395/v1). An alternative approach is examining the combination of thalidomide + celecoxib (which targets NF-κB to suppress production of inflammatory cytokines; see preprint DOI: 10.13140/RG.2.2.26979.91689)." . "Tromethamine (commonly called tris) is used widely as a biochemical buffer, but is also an approved drug (in which case it is sometimes referred to as THAM).." . "Pemirolast is an antihistamine.
Marketed formulations may contain pemirolast potassium salt (PubChem CID 443866)." . "Dexrazoxane is an EDTA derivative with iron-chelating activity." . "Lenalidomide is a derivative of with anti-inflammatory and anti-cancer actions." . "Barasertib is a pro-drug. The phosphate group is rapidly converted to a hydroxyl group in vivo generating the active form which is a selective inhibitor of aurora kinase B." . "Metreleptin is a recombinant, 147 amino acid (~16kDa), N-methionyl- analogue of human leptin . Leptin is an adipokine (cytokine secreted by adipose tissue)." . "4-acryloylphenol inhibits GABA transaminase (GABA-T; ABAT) and succinic semialdehyde dehydrogenase (SSADH; ALDH5A1) ." . "Oliceridine (TRV130) is an opioid compound. It was developed to exhibit biased-signalling (specifically bias towards G protein signalling), with the aim of reducing the adverse effects associated with use of other opioid drugs ." . "Nivolumab is an IgG4 kappa immunoglobulin that is selective for PD-1, an immune-checkpoint receptor expressed on activated T-cells, monocytes, B-cells, natural killer (NK) T-cells, and dendritic cells . This monoclonal is produced in Chinese hamster ovary cells by recombinant DNA technology. Nivolumab is an immuno-oncology drug.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record.
Sequence analysis of the light and heavy chain variable region peptides of nivolumab shows exact matches with claimed peptide sequences of monoclonal 5C4 contained in patent WO2006121168 ." . "Has anxiolytic effects as positive allosteric modulator of the GABAA receptor at the barbiturate binding site, as an adenosine antagonist of the A1 and A2 receptor subtypes and as a phosphodiesterase inhibitor selective for the PDE4 isoform. It is currently in clinical trials for the treatment of Alzheimer's disease with a possible MMOA of upregulating alpha-secretase activity." . "ELND006 is a novel γ-secretase inhibitor by Elan Corporation that was in the clinic as a potential treatment for Alzheimer's disease (AD). The clinical trial was halted in October 2010 due to liver side effects that are thought to be unrelated to the mechanism of action " . "Flutemetamol F-18 (Vizamyl GE Healthcare) is a positron emission tomography (PET) radiotracer approved in 2013 that binds to amyloid plaques in Alzheimer's disease neurodegeneration. However imaging agents have been granted only narrow approval since they can not be used to definitively diagnose Alzheimer's disease or to gauge treatment effectiveness, only to support other diagnostic criteria ." . "RO4929097 as an inhibitor of γ-secretase, was originally developed for Alzheimer's disease but based on its ability to inhibit the NOTCH pathway it was investigated as a therapeutic strategy against melanoma and other tumours ." . "CHF-5074 is a gamma-secretase modulator (GSM). These are small molecules (<600 Da) causing a product shift from Abeta42 toward shorter and less toxic Abeta fragments. Classical non-steroidal anti-inflammatory drugs (NSAIDs) constituted the first class of GSMs. This compound has advanced to phase I trials" . "Tarenflurbil or R-flurbiprofen, is the single enantiomer of the racemate NSAID . Research and trials for Alzheimer's disease were conducted by Myriad Genetics but the company discontinued development in 2008. This compound is the archetypal γ-secretase modulator (GSM) that blocks γ-secretase cleavage of amyloid-β protein precursor (AβPP) to generate the longer, 42-residue amyloid-β (Aβ42) without changing the production of total Aβ (e.g. CHF5074) ." . "Ataluren is a compound in an emerging class of chemicals which induce ribosomal readthrough. This developing pharmaceutical intervention has been termed 'readthrough strategy'. Clinically, this type of compound has potential benefit in the treatment of genetic disorders associated with loss of functional protein due to nonsense or PTC mutations, such as certain types of muscular dystrophy, cystic fibrosis and many cancers ." . "Ilomastat is a broad-spectrum inhibitor of group M10 and M12 metallopeptidases." . "Evolocumab is a clinically approved anti-PCSK9 (proprotein convertase subtilisin/kexin type 9) monoclonal antibody. Peptide sequences for this antibody are available from its IMGT/mAb-DB link. The development and discovery of this antibody is described in patent US8030457, where SEQ IDs 23 and 49 comprising clone 21B12 light and heavy chain variable regions respectively, match the peptide sequences in the INN record for evolocumab." . "Florbetapir F18 is a molecular imaging agent (diagnostic radiopharmaceutical) that binds to β-amyloid aggregates in Alzheimer's brains." . "Arbekacin is a semisynthetic aminoglycoside antibacterial compound that was originally derived from . It has activity against both Gram-positive and Gram-negative bacteria ." . "H3 receptor inverse agonists may be efficacious for central nervous system disorders, including excessive daytime sleepiness, attention deficit hyperactivity disorder, Alzheimer disease, ethanol addiction, and obesity ." . "Crisantaspase is a chemotherapy agent. The asparaginase enzyme can be isolated from Erwinia chrysanthemi or Escherichia coli. The two forms have different immunogenicity profiles. The amino acid sequence shown here is for the Erwina isoform, crisantaspase." . "Tanaproget is an experimental nonsteroidal progesterone receptor agonist." . "Pomalidomide is an analogue of thalidomide with similar immunomodulatory antineoplastic activity." . "Ospemifene is a selective estrogen receptor modulator (SERM) ." . "Eslicarbazepine is an anticonvulsant. The PubChem CID for eslicarbazepine acetate is CID 179344." . "Vortioxetine is a novel atypical antidepressant." . "Macitentan is an endothelin receptor antagonist (ERA). It exhibits approximately 50-fold selectivity for the ETA receptor over the ETB receptor ." . "Vilanterol is an ultra-long-acting β2-adrenoreceptor agonist, belonging to a group of drugs termed ultra-LABAs." . "The compound approved in Anoro Ellipta® is umeclidinium bromide (PubChem CID 11519069), and this preparation is documented in the INN record. We display the parent compound here." . "Bazedoxifene is a selective estrogen receptor modulator (SERM)." . "Veliparib is an investigational poly ADP ribose polymerase (PARP) inhibitor. PARP inhibitors have potential for treating many diseases, including cancer." . "Cerlapirdine is a Wyeth/Pfizer selective 5-HT6 receptor antagonist for the treatment of cognitive disorders associated with Alzheimer's disease and schizophrenia . Since the phase 2 trial was stopped development may have ceased. Note, unusually, this INN is PubMed-negative so you will need to search the synonyms to find publications. The hydrochloride salt is CID 53385647." . "A range of medical conditions, including major depressive disorder and Alzheimer's disease, have been associated with excess levels of the stress hormone cortisol. ABT-384 is a potent and selective inhibitor of 11-beta-hydroxysteroid dehydrogenase type 1 (HSD-1) that generates cortisol. It has completed a phase 1 trial but failed a phase II trial for Alzheimer's disease . ChEMBL represents this compound with specified stereochemistry with the entry CHEMBL222670." . "E2012 is a gamma -secretase modulator that differentially reduces plasma Aβ40 and Abβ42 levels while sparing notch cleavage in healthy human subjects following single dose oral administration for the treatment of Alzheimer's disease. However, induced cataract following repeated doses in the rat may halt development ." . "One of the actve metabolites of the approved drug atorvastatin." . "Antagonist of P2Y12 developed as non-nucleoside analogue alternative to marketed inhibitors such as . An antiplatelet agent that is orally bioavailable and has improved drug-like properties was discovered through optimization of AZD1283 ." . "compound 24 [PMID: 16451050] is a rationally designed NOP receptor antagonist ." . "JDTic is a potent and selective κ opioid receptor antagonist ." . "Truncated analogue of endogenous peptide neurotensin." . "MOE in the nucleotide image denotes nucleosides with 2'-O-(2-methoxyethyl) modification. The drug formulation contains the sodium salt, mipomersen sodium (CHEMBL2107849)." . "Dolutegravir is an HIV viral integrase inhibitor class drug." . "Luliconazole is an imidazole antifungal drug." . "Simeprevir is a hepatitis C virus NS3/4A protease inhibitor." . "Sofosbuvir is a nucleotide analogue whose action inhibits hepatitis C virus (HCV) NS5B RNA-dependent RNA polymerase. It acts as a chain terminator to limit viral RNA replication.
Sofosbuvir is on the World Health Organisation's List of Essential Medicines. Click here to access the pdf version of the WHO's 21st Essential Medicines list (2019)." . "AQW 051 is an α7 nicotinic acetylcholine receptor (nAChR) agonist from Novartis for the oral treatment of cognitive deficits in schizophrenia, Alzheimer's, and Parkinson's diseases. Structure first disclosed at March 2014 ACS meeting. The (3S) version is CID 71553840" . "Apremilast is an oral small molecule phosphodiesterase 4 (PDE4) inhibitor (additional comment in ). It is selective for PDE4 over other PDE isozymes, but non-selective over PDE4 isoforms ." . "AlprolixTM is a recombinant fusion protein combining the peptide for coagulation factor IX with an antibody Fc domain. The presence of the Fc domain increases protein half-life and extends the drug's therapeutic window." . "Tubacin is a small-molecule inhibitor of HDAC6 ." . "BRD9539 may be the active form of BRD4770 in vivo (see ) ." . "This is compound 10h in , where the full name of the compound is stated as N-{3-[(1R)-1-{[2-(acetylamino)ethyl]amino}ethyl]-8-methylquinolin-7-yl}-4-(cyclopropylmethoxy)benzamide. It is a potent antagonist of the MCH1 receptor." . "Lipoprotein-associated phospholipase A2 (Lp-PLA2, PLA2-G7) inhibitors such as rilapladib and have been evaluated in clinical trials: darapladib for coronary heart disease, and rilapladib for Alzheimer's disease. Compounds of different chemotypes are being explored as tools to further optimise the pharmacological modulation of PLA2-G7 as a target for clinical intervention- see also (tool compound)." . "EPZ004777 is an analogue of the enzyme co-factor S-adenosyl methionine (SAM). SAM is the classical methyl donor for methyltrasferases." . "Tebentafusp (IMCgp100) is an immunotherapeutic antibody/peptide fusion, comprising a soluble T cell receptor (TCR) specific for the HLA-A2 restricted melanoma-associated antigen gp100, fused to an anti-CD3 single chain antibody fragment (scFv) . This belongs to a novel class of immunotherapeutics termed ImmTACs (Immune Mobilising mTCR against Cancer) which are designed to restore immune surveillance and T-cell-directed killing of specific cancer cells." . "Dinaciclib is a potent cyclin-dependent kinase (CDK) inhibitor, inhibiting the CDK4 and 6 isoforms . Dinaciclib has also been reported to interact with the acetyl-lysine recognition domain of the bromodomain testis-specific protein BRDT . BRDT is a member of the BET family of bromodomain-containing proteins which are considered to be atypical kinases.

SARS-CoV-2: SARS-CoV-2 may regulate the host cell cycle to enhance viral replication, and in vitro phosphoproteomics analysis suggests that viral hijacking of the CDK signalling pathway may, at least in part, mediate this mechanism . Pharmacological inhibition of the CDK pathway with dinaciclib has anti-SARS-CoV-2 activity in two model cells lines, A549-ACE2 cells (IC50 32 nM) and Vero E6 cells (IC50 127 nM)." . "The synthesis of this MCH1 receptor antagonist is described in ." . "Palbociclib is a selective inhibitor of the cyclin-dependent kinases CDK4 and CDK6 . This kinase inhibitor has anti-tumour activity in several tumour models .
The pharmaceutical formulation contains palbociclib isethionate (PubChem CID 11478676)." . "RS-100329 is an α1A-adrenoceptor selective antagonist ." . "Abemaciclib (LY2835219) is a selective ATP-competitive inhibitor of the cyclin-dependent kinases CDK4 and CDK6 ." . "Ribociclib is a selective, orally available inhibitor of the cyclin-dependent kinases CDK4 and CDK6 ." . "Blinatumomab is a monoclonal antibody with anti-cancer effects. Its mechanism of action classifies this antibody as a member of the bi-specific T-cell engager (BiTE®) group of engineered antibodies. It was the first biologic of this class to gain clinical approval.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "The synthesis of this MCH1 receptor antagonist is described in ." . "Catumaxomab belongs to a novel generation of engineered monoclonal antibodies termed trifunctional (or Triomab®) antibodies .

Triomabs are hybrid antibodies that carry different antigen binding domains derived from rat IgG2b and mouse IgG2a monoclonals. One binding site (specified by the mouse IgG2a chain chain) is designed to interact with a specific tumour-associated antigen, in catumaxomab's case EpCAM. The other catumaxomab antigen binding site interacts with CD3e (specified by the rat IgG2b chain) on polyclonal T lymphocytes (effector cells). Finally, the intact Fc region of the Triomab® interacts with Fcγ receptors on accessory cells (monocytes/macrophages, natural killer cells and dendritic cells). This combination of interactions enables the formation of a tri-cell complex composed of tumour cells, T cells and accessory cells and promotes the synchronous activation of a variety of immune effector mechanisms that ultimately mediate an enhanced anti-tumour response." . "Albiglutide is recombinant protein engineered by fusing the gene for (GLP-1; an incretin secreted in the gut) with the gene for human albumin. In this case the GLP-1 appears to contain an amino acid substitution (Ala to Glu at the C-terminal) directly adjacent to the dipeptidyl peptidase-4 (DPP-4; the enzyme responsible for in vivo degradation of GLP-1) hydrolysis site, which renders the peptide resistant to cleavage by this enzyme . In conjunction with the fusion to albumin this drug has an extended half-life compared to other approved drug GLP-1 mimetics." . "Lixisenatide is a GLP-1 peptide mimetic. The sequence for this drug differs from native GLP-1 as depicted in , and is largely based on the sequence of exendin-4 from the Gila monster (Heloderma suspectum). Lixisenatide is licensed as a once-daily mealtime GLP-1 receptor agonist administered by sub-cuteneous injection." . "Acelerin is a candidate pro-drug. The proposed route to the active monophosphate form is depicted in Scheme 4 in . Acerlarin is an analogue of , the main therapeutic used to treat pancreatic cancer. Acelarin is termed a ProTide, and structurally is gemcitabine with an attached phosphoramidate group. The aim of this chemical modification is to achieve improved cellular delivery of the activated drug, overcoming resistance mechanisms and protecting against enzymatic breakdown to toxic byproducts , and hopefully achieving better disease response. The chemical structure depicted here was drawn from where acelerin is compound 6f.

Acelarin is the first ProTide to reach clinical trial and is only one member of a large development pipeline covering many nucleoside anti-metabolite anti-neoplastic drugs." . "Zenarestat is an experimental aldose reductase inhibitor." . "Ramucirumab is an anti-VEGF2 receptor (KDR) monoclonal antibody that is used in oncology.

Peptide sequences and structural information for ramucirumab are available from its IMGT/mAb-DB record." . "As droxidopa is a prodrug for noradrenaline, its effects will be through noradrenaline activation of adrenoceptors. The cellular effect is dependent upon adrenoceptor subtype expression on target cells." . "Elosulfase alfa is a recombinant enzyme replacement therapy for galactosamine (N-acetyl)-6-sulfatase (GALNS, P34059) deficiency. The peptide is translated from the human cDNA expressed in CHO cells ." . "Tasimelteon is a melatonin receptor agonist, activating both the MT1 and MT2 receptor subtypes equipotently. and are also melatonin receptor agonist class drugs." . "ML355 (compound 35 in the referenced article) inhibits the activity of arachidonate 12-lipoxygenase (12S-LOX, ALOX12), with selectivity compared to other LOX enzymes tested ." . "Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "Daratumumab is a monoclonal antibody directed against CD38.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "Siltuximab is a monoclonal antibody targeting interleukin 6 (IL-6) .
Peptide sequences for the heavy and light chains of this antibody are annotated in its IMGT/mAb-DB record. The invention of siltuximab is covered by patent US7291721 ." . "Ceritinib is a novel, highly selective, second generation ALK inhibitor ." . "Ethcathinone is the active form of the approved prodrug diethylpropion." . "Ibudilast is a phosphodiesterase (PDE) inhibitor antiinflammatory drug. See the Biological activity tab for affinity data across a range of PDE isozymes." . "Iodipamide is an ionic radiopaque contrast agent." . "Nimesulide is a non-steroidal anti-inflammatory drug (NSAID), with analgesic and antipyretic properties." . "This drug is rapidly metabolised to , (aka acetaminophen), so it is conceivable that some of its therapeutic activity is attributable this major metabolite." . "Raltitrexed is an antimetabolite drug." . "Tolrestat is an aldose reductase inhibitor that failed Phase 3 clinical trial in the US and never made it to the clinic. The manufacturer withdrew the drug from other markets due to toxicity concerns." . "Aleglitazar is a dual PPARα/δ agonist, or 'glitazar'." . "Brequinar inhibits dihydroorotate dehydrogenase (DHODH), the fourth enzyme in the de novo pyrimidine biosynthesis pathway , and it depletes cells of the precursors that are critical for RNA and DNA synthesis . It was developed for potential anti-neoplastic activity. The drug exhibits anti-neoplastic activity against refractory solid tumours in preclinical models, with continuous treatment being necessary to effectively deplete pyrimidine pools in the cancer cells and cause tumour inhibition ." . "There is some ambiguity in the literature and on other database as to the exact structure of Cilomilast. The structure shown here matches that of the INN document, but the compound is represented on PubChem without specified stereochemistry by CID 151170." . "Eribaxaban is a Pfizer experimental anticoagulant which targets activated factor X (FXa) . It has reached Phase 2 for prevention of venous thromboembolism in knee replacement" . "Lidorestat is an experimental aldose reductase inhibitor. ." . "Chemical structure is derived from . Sorbinil is an experimental aldose reductase inhibitor." . "Carfilzomib is a tetrapeptide analogue of epoxomicin, an Actinomycete derived selective proteasome inhibitor ." . "Dacomitinib is a second-generation, irreversible pan inhibitor of HER tyrosine kinases (EGFR, and ERBBs) that was developed by Pfizer.
Results from the ARCHER 1050 Phase 3 randomised, open-label trial (NCT01774721) that directly compared dacomitinib against , as first-line treatment for patients with EGFR-mutation +ve non-small-cell lung cancer (NSCLC), reported that dacomitinib significantly increased progression-free survival and overall survival compared to gefitinib . Dacomitinib's use may be limited in NSCLC patients with brain metastases, as these patients were excluded from the trial because dacomitinib's ability to cross the blood-brain-barrier has not been fully confirmed. This is unlike (another third-generation irreversible EGFR inhibitor) which has confirmed brain penetrance, and which does not appear to cause the same dose-limiting toxicities that afflict dacomitinib. In April 2018 both the FDA and EMA accepted regulatory submissions (New Drug Application and Marketing Authorization Application respectively) for review of dacomitinib as a therapy for metastatic NSCLC with EGFR-activating mutations. The FDA granted Priority Review status for the submitted NDA.

SARS-CoV-2: A high-throughput screen identified potential anti-SARS-CoV-2 activity in cell infection assays ." . "Note that the chemical structure in the PubChem record is for the non-stereo molecule. The INN record specifies stereochemistry as shown in our chemical structure." . "The synthesis of this MCH2 receptor antagonist is described in . The image drawn in this article is somewhat unclear as to the stereochemistry of the bond to the NH-acetyl side chain. We have drawn this as a R bond." . "Moclobemide is a reversible inhibitor of monoamine oxidase A (RIMA) . It is an antidepressant and anxiolytic (antianxiety) drug." . "This drug is the S enantiomer of ." . "Zopiclone is a racemic mixture of the R and S chemical stereoisomers (PubChem CID 941731 and respectively). Eszopiclone is an approved drug in its own right." . "Lorvotuzumab mertansine is an antibody-drug conjugate (ADC) combining an anti-NCAM1 (CD56) monoclonal antibody with the maytansinoid DM1 (PubChem CID 71301226) tubulin inhibitor .
Annotated peptide sequences for this antibody are available from its IMGT/mAb-db record. Patent US5639641 describes the resurfacing of murine anti-CD56 monoclonal antibody N901, to improve its therapeutic efficacy in preparation for use as a human drug. A protein BLAST search matches the variable region of the light chain of lorvotuzumab, with sequence 36 from the patent, sequence 36 being a CDR grafted version of N901. No affinity data for the interaction between the preferred engineered antibody and the molecular target is provided in the patent." . "From Conus striatus (striated cone)." . "RY796 is the S-enantiomer as reported in . It is a selective Kv2 channel inhibitor." . "Birinapant is an experimental anti-cancer compound." . "Oxaliplatin is a platinum-based chemotherapy drug in the same class as carboplatin and cisplatin. Its main action is as a nucleic acid alkylating agent (see Clinical Data tab for further details)." . "Budesonide is a glucocorticoid steroid. The INN document specifies that the approved drug consists of a racemic mixture of two epimers, based on the stereocentre of the carbon where the butyl chain meets the rest of the molecule. Our structure does not specify strereochemistry at this point and represents the mixture. The two epimers are represented by CID 40000 and CID 63006.

COVID-19: Results from a Phase 2 clinical trial have shown that a short duration administration of budesonide in the early phase of SARS-CoV-2 infection reduces both the likelihood of needing urgent medical care and time to recovery ." . "Levomilnacipran is the active enantiomer of . . It is a selective serotonin and norepinephrine reuptake inhibitor antidepressant (SNRI)." . "Amiselimod phosphate is the active metabolite of . Bioactivity is ascribed to this compound and not to the prodrug." . "Milnacipran is approved as a racemic mixture of enantiomers. We show the non-isomeric structure to represent the mixture." . "The peptide sequences for the heavy and light chains that form this antibody are annotated in its IMGT/mAb-DB record." . "The approved drug is methacholine chloride PubChem CID 6114. Note that the approved drug is a racemic mixture of enantiomers. We show the non-chiral molecule to represent this mixture." . "Lomitapide is a lipid-lowering agent for the treatment of familial hypercholesterolemia." . "GxTX-1E is a 36 amino acid peptide toxin found in the venom of the tarantula Plesiophrictus guangxiensis . It blocks voltage-gated Kv2.1 potassium channel currents ," . "Mercaptamine is the simplest stable aminothiol, and a degradation product of the amino acid cysteine." . "Icosapent is a synthetic ethyl ester derivative of the omega-3 fatty acid eicosapentaenoic acid (EPA). It is de-esterified during absorption to active EPA that is absorbed in the small intestine." . "This compound is represented on PubChem as the non-isomeric structure CID 9948645." . "Ingenol mebutate is extracted from the plant Euphorbia peplus." . "Taliglucerase alfa is the first approved recombinant drug to be produced in genetically engineered plant cells. Carrot cells have been genetically modified to express human β-glucocerebrosidase. The fully active enzyme is then extracted from the cultured cells." . "Mirabegron is a β3-adrenoceptor agonist muscle relaxant. It has been reported to exert effects on cellular metabolism in adipocytes. This latter action is β3-adrenoceptor-dependent, and improves glucose handling in vivo ." . "Ocriplasmin is a synthetic form of the serine protease, plasmin. It contains a truncated heavy chain peptide sequence and full length light chain. Sequences can be found in the DrugBank entry." . "Peginesatide is a PEGylated functional analogue of erythropoietin." . "Avanafil is a phosphodiesterase type 5 inhibitor." . "From Stromatopelma calceatum griseipes (Feather leg baboon tarantula)." . "Note that the approved drug is the bromide salt (PubChem CID 11434515)." . "Glucarpidase, a recombinant form of the bacterial enzyme carboxypeptidase G2 (cpg2). Pseudomonas sp cpg2 has UniProt id P06621." . "Tafluprost is a prostaglandin analogue." . "This is the active metabolite of ." . "Crofelemer is an oligomeric proanthocyanidin extracted from Croton lechleri, a South American flowering tree of the Euphorbiaceae (or spurges). We do not show a chemical structure for this complex molecule, but shows a putative chemical structure." . "Omacetaxine mepesuccinate is a semi-synthetic derivative of the alkaloid cephalotaxine from Cephalotaxus harringtonia. Note that this compound is represented on Drugbank with slightly different stereochemistry by the entry DB04865." . "Only the R-enantiomer, as the maleate salt (PubChem CID 9827599) is contained in the medicinal product." . "Deferiprone is an iron-chelating drug." . "Dutasteride is a 5α-reductase inhibitor, which inhibits conversion of to (DHT). There are three 5α-reductase isozymes: SRD5A1, SRD5A2 and SRD5A3, all of which are inhibited by dutasteride ." . "From the venom of Scolopendra subspinipes mutilans (Chinese red-headed centipede). N.B. UniProt does not include an entry for this peptide." . "Carglumic acid is an orphan drug." . "Glycopyrrolate is the active moiety of the approved drug glycopyrronium bromide. It is an anticholinergic drug." . "Ulipristal acetate is a selective progesterone receptor modulator (SPRM) contained in certain emergency contraceptives." . "Lurasidone is an atypical antipsychotic with activity at serotonin family receptors that are involved in learning and memory. It is devoid of the anticholinergic effects which are common with most other antipsychotics." . "Note that this compound is also represented on PubChem by CID 25256198 which does not specifiy stereochemistry." . "Peginterferon alfa-2b is a pegylated interferon protein. Conjugation with polyethylene glycol (PEG) is a strategy commonly used to protect peptide drugs from in vivo proteolytic breakdown to increase their biological half-life and duration of action.
Peginterferon alfa-2b is on the World Health Organisation's List of Essential Medicines. Click here to access the pdf version of the WHO's 21st Essential Medicines list (2019)." . "Pegloticase is a porcine-like recombinant uricase, which is PEGylated to increase its biological half-life. The peptide sequence for the enzyme monomer is available in the ChEMBL entry. The enzyme is a tetramer, and lysine residues are PEGylated." . "Velaglucerase alfa is a recombinant form of human β-glucocerebrosidase (GBA, P04062).
Its INN record describes it as human glucosylceramidase (EC 3.2.1.45 or beta-glucocerebrosidase), glycoform α." . "Dronedarone is a class III antiarrhythmic drug. It is a noniodinated analogue of . The marketed formulation contains the hydrochloride salt (PubChem CID 219025)." . "Compound 10a acts as an inhibitor of thromboxane-A synthase (CYP5A1) and as an antagonist of thromboxane receptors in human washed platelets ." . "The marketed formulation contains the besilate salt (PubChem CID 164521)." . "Rasburicase is a recombinant version of Aspergillus flavus urate oxidase. The peptide sequence for the enzyme monomer is available in the ChEMBL entry. Functional urate oxidase is a homotetramer." . "Clevidipine is a dihydropyridine class L-type calcium channel blocker, whic is highly selective for vascular smooth muscle over myocardial smooth muscle." . "Ciclesonide is a prodrug. The active metabolite is desisobutyrylciclesonide (PubChem CID 6918281). It is a clinically used inhalation corticosteroid/glucocorticoid drug." . "Compound 39a is a potent and reasonably selective inhibitor of human cytochrome P450 2A6 (CYP2A6), structurally related to ." . "Rufinamide is a triazole (a heterocyclic compound with molecular formula C2H3N3) derivative anticonvulsant drug." . "Alvimopan is a peripherally acting mu-opioid receptor antagonist , or PAMORA." . "Lacosamide is a functionalized amino acid anticonvulsant drug ." . "The marketed formulation contains the fumarate compound (PubChem CID 9849808). Fesoterodine is an antimuscarinic prodrug, with the active metabolite being 5-hydroxymethyl tolterodine (5-HMT, PubChem CID 9819382)." . "A synthetic analogue of human relaxin-3 comprising a synthetic truncated from of the A chain, and a B chain matching the natural sequence of relaxin-3 B chain. The sequence of the A chain can be found from the link on the structure tab of this ligand page, and please see the ligand entry for for the sequence of the B chain. N.B. The truncated A chain subunit of this peptide is also a subunit of ." . "Difluprednate is a corticosteroid with antiinflammatory action." . "Fospropofol is a prodrug which undergoes hepatic conversion to the active moeity, propofol." . "Lorlatinib (PF-06463922) is a kinase inhibitor with action on ALK and ROS1 proto-oncogenes . It is a reversible, ATP-competitive small molecule inhibitor. Lorlatinib is a third generation ALK inhibitor designed to have improved blood-brain barrier penetrance compared to older second generation ALK inhibitors such as the approved drugs , , and , with the aim of better targeting metastatic NSCLC lesions in the brain. Advanced generation ALK inhibitors are those which target acquired ALK mutations resistant to the original first generation inhibitor , which occur in virtually all AKL-rearranged NSCLC tumours within a year of starting crizotinib therapy. In fact, the cyano group of lortatinib is highly selective for the ALK mutation L1196M . Facchinetti et al. (2016) review the progress in ALK inhibitor development and discuss the importance of targeting therapies based on individual patient tumour profiles. Shaw et al.(2016) publish a case report of a patient with metastatic ALK-rearranged NSCLC whose tumours acquired sequential resistance to crizotinib, ceritinib and finally lorlatinib. However, the patient subsequently showed a resensitization to crizotinib. This patient was identified in a substudy of Phase 1/2 clinical trial NCT01970865, which is designed to compare lorlatinib against crizotinib in advanced NSCLC harbouring specific molecular alterations, such as the lorlatinib resistance-conferring mutation L1198F. The molecular biology behind this pheomenon is outlined in the Nature Reviews Cancer Research Highlight commentary by Shipman (2016) ." . "The marketed formulation contains tapentadol hydrochloride (PubChem CID 9838021)." . "Consists of two chains of human " . "Compound 38a is a potent and reasonably selective inhibitor of human cytochrome P450 2A6 (CYP2A6), structurally related to ." . "The marketed formulation contains the hydrochloride salt (PubChem CID 77082)." . "Arformoterol is the active (R,R)-enantiomer of . The marketed product contains arformoterol tartrate (PubChem CID 9827062)." . "The marketed product contains trospium chloride (PubChem CID 107979). Note that the INN record for trospium chloride represents a chiral molecule, the closest PubChem match being AC1NR4SW. Our representation and those contained in our links show the non-isomeric molecule." . "Lumacaftor is termed a cystic fibrosis transmembrane conductance regulator (CFTR) corrector, acting to reduce mis-folding of the defective F508del mutant CFTR protein, in comparison to which is termed a CFTR potentiator drug. The F508del mutation is the most common cause of cystic fibrosis and accounts for approximately 60% of CF patients in Europe. Cryo-electron microscopy of CFTR-lumacaftor complexes provided insight into how the correctors operate at the molecular level, with the findings published in early 2022 by Fiedorczuk and Chen ." . "This small peptide represents amino acids 43–55 of presenilin 1. The peptide is water soluble ." . "Pramlintide is an analogue of human amylin, with prolines replacing the native amino acids at positions 25, 28 and 29. The marketed medicine is the acetate salt (PubChem CID 16132446). ChEMBL also represents the acetate form with the record CHEMBL1201669." . "The marketed formulation contains solifenacin succinate (PubChem CID 216457)." . "Azelaic acid is a saturated dicarboxylic acid, used clinically for its antibacterial and antiinflammatory actions, as well as for its ability to inhibit keratin and melanin production." . "Pegvisomant is a PEGylated 191 amino acid protein analogue of growth hormone, with antagonist action at the growth hormone receptor. The peptide sequence can be obtained via the ChEMBL link. PEGylation protects the peptide from proteolytic breakdown and extends its bioactive half-life." . "Palonosetron is a 'serton' family drug, that is a serotonin 5-HT3 antagonist. Most setrons are antiemetics, apart from and , which are irritable bowel syndrome therapeutics. Setrons are the most widely prescribed antiemetic drugs used in the management of chemotherapy-induced nausea and vomiting (CINV)." . "This is the human protein isolated and purified from donor plasma. There are 4 approved versions (Prolastin-C , Zemaira , Aralast and Glassia ), which show minor chemical differences as a result of the methods used during purification . PEGylated recombinant alpha-1-proteinase inhibitor has been tested , but no recombinant protein drug as been approved to date.
US FDA approval dates: Prolastin-C (1987), Zemaira (2003), Aralast (2010) and Glassia (2010)." . "MG148 is a derivative of . This compound is an inhibitor of K(lysine) acetyltransferase 5 (KAT5 aka Tip60) and K(lysine) acetyltransferase 8 (KAT8 aka HMOF) . However, a 2017 article by Dahlin et al. suggests that MG148 non-specifically perturbs biological assays, bringing in to question its HAT inhibitor activity ." . "Panobinostat is a non-selective histone deacetylase (HDAC) inhibitor . The compound also has antimalarial activity.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "AZD4800 is one of several AstraZeneca gamma secretase modulators . It has recently been used for targeting amyloid β production in a mouse model of Alzheimer's disease (AD) in combination with the BACE1 inhibitor ." . "Givinostat is a pan-histone deacetylase (HDAC) inhibitor . The clinically used formulation contains the hydrochloride (PubChem CID 52914048)." . "TMP269 is a histone deacetylase (HDAC) inhibitor with specificity for class IIa HDACs (HDACs 4, 5, 7 and 9) ." . "SRTCX1003 activates sirtuin 1 (SIRT1), an NAD+-dependent protein deacetylase ." . "This compound is an inhibitor of EP300 (p300 histone acetyltransferase) ." . "Acipidin is a natural product fungal metabolite . It inhibits cancer cell proliferation , via histone deacetylase (HDAC) inhibition.

The compound has broad-spectrum activity against apicomplexan parasites including Plasmodium species . The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Belinostat is a pan-histone deacetylase (HDAC) inhibitor ." . "NVP-LAQ824 is a non-selective histone deacetylase (HDAC) inhibitor." . "In addition to inhibition of COX enzymes, this drug has been discovered to inhibit class IIb HDACs (ie HDACs 6 and 10) ." . "Pembrolizumab is the first-in-class, anti-PD-1 antibody to be approved by the US FDA.
Full peptide sequence and disulphide bond information is available from the IMGT/mAb-DB entry for this antibody.

Pembrolizumab is the first immuno-oncology therapeutic to be approved for use in cancers of any tissue type, so long as they express a specific genetic biomarker (i.e. high microsatellite instability (MSI-H) or mismatch repair deficient (dMMR) tumours). This is an important breakthrough, since up until this point FDA approvals, including earlier approvals for pembrolizumab, had always been restricted to certain tissue-specific cancers." . "RGFP966 is a selective inhibitor of histone deacetylase 3 (HDAC3) . In rodent studies, RGFP966-induced inhibition of HDAC3 appears to enhance memory processes involved in extinction of drug-seeking behaviour ." . "RGFP109 is a brain-penetrant HDAC inhibitor with selectivity for HDACs 1 and 3 ." . "Purvalanol B is a cyclin-dependent kinase (CDK) inhibitor ." . "Resminostat is an HDAC inhibitor with selectivity for HDACs 1, 3 and 6, with significantly lower affinity for HDAC8 ." . "Quisinostat is an HDAC inhibitor. The compound has highest potency for HDAC1 and modest potency with HDACs 2, 4, 10, and 11. Quisinostat exhibits >30-fold selectivity against HDACs 3, 5, 8, and 9, with lowest potency for HDACs 6 and 7 .

The compound also has antimalarial activity . The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Nexturastat A is a potent and selective HDAC6 inhibitor ." . "Scriptaid is a potent inhibitor of HDACs 1, 2, 3 and 6 , with lower potencies for other Class I and II HDACs ." . "Ischemin binds reversibly to the bromodomain of CREB-binding protein (CBP) and blocks CBP association with binding partners . This results in inhibition of transcription functions performed by p53.

Note that ischemin is represented in different ways by different online resources and suppliers. We show the molecule with a specified E bond as this is the form used in the associated PDB solution NMR structure (shown on the CBP page). Whereas, the chemical description in leaves this bond unspecified (see PubChem CID 73010922)." . "This compound blocks K382-acetylated p53 association with the bromodomain of CBP ." . "JQ1 is a selective and potent inhibitor of BET family bromodomains . This is a compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection." . "MS417 is designed to block BRD4 binding to the acetylated NF-κB transcriptional complex ." . "CPI-203 is an amide analogue of . CPI-203 has anti-proliferative activity in cancer cells .
Online information suggests that CPI-203 is the same chemical structure as the clinical oncology candidate with research code , however we cannot confirm or refute this until the structure of TEN-101 is formally disclosed in a peer reviewed article." . "GW841819X is a small molecule inhibitor of bromodomain and extraterminal (BET) subfamily of bromodomain containing proteins (BCPs; BRD2-4). The compound acts as a mimetic of acetylated lysine, competing for the acetylated histone binding site." . "BzT‑7 is a benzotriazepine which functions as an inhibitor of BET domain containing BRDs (BRDs 2, 3 and 4) ." . "This compound acts a an acetyl-lysine mimetic at the BD1 domains of BRD2 and BRD4 ." . "I-BET151 is a selective BET inhibitor for BRD2, BRD3 and BRD4 ." . "Olaparib is an AstraZeneca poly ADP ribose polymerase (PARP) inhibitor . It is discussed in the AZ 2014 review paper .
Cancer cells carrying BRCA mutations become more reliant on PARP activity to maintain DNA repair , so this enzyme represents a vulnerable target for pharmaceutical intervention in these cancers." . "R55 is an experimental compound with potential therapeutic implications for Alzheimer's disease ." . "This compound is an inhibitor of the bromodomain and extra-terminal (BET) proteins, BRD2-4 ." . "This compound is an inhibitor of the bromodomain and extra-terminal (BET) proteins, BRD2-4 ." . "This compound is an inhibitor of the bromodomain and extra-terminal (BET) proteins, BRD2-4 . This is a compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection." . "The reference for the discovery of this compound is ." . "CBP30 targets the CBP/p300 bromodomain, with much improved selectivity compared to the pan-BET bromodomain inhibitor . CBP30 has therapeutic potential against autoimmune diseases characterised by aberrant Th17 responses.
This is a compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection.

The compound also has antimalarial activity. The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Compound 35 is reported as an inhibitor of mitogen-activated protein kinase 8 (JNK1; MAPK8) ." . "2-PMAP is an investigational compound for Alzheimer's disease (AD). A recent study has demonstrated that this compound crosses the blood-brain barrier and reduces levels of full-length amyloid precursor protein (APP) and amyloid beta (Aβ) deposition in the brains of AD model mice without causing significant toxicity . This is accompanied by reduced Aβ pathology and rescue of memory deficit in AD model mice via an inhibitory effect on mRNA translation. This compound may exist as a tautomer with PubChem CID 68604369." . "This is an investigational Alzheimer's disease (AD) compound. Chemically, it is a hybrid of and , two compounds which have previously shown some benefit in AD research. The hybrid molecule is brain-penetrant. In in vitro experiments, compound 7 exhibits significant neuroprotective activity in AD model cells . The ChemSpider ID is 30922431." . "Pirfenidone is an anti-fibrotic drug. In addition to its proven anti-fibrotic effects in lung tissue, pirfenidone-induced in vitro and in vivo anti-fibrotic activity has been reported in experimental liver and renal fibrosis .

SARS-CoV-2: COVID-19 is accompanied by inflammation and fibrotic lung damage that appears to persist beyond immediate recovery. The clinical potential for applying the antifibrotic activity of pirfenidone to help treat COVID-19-related pulmonary fibrosis is reviewed by Ferrara et al. (2020) ." . "It is postulated that lifitegrast (SAR 1118) interacts with the lymphocyte function-associated antigen-1 (LFA-1) to inhbit the LFA-1/ICAM-1 adhesion interaction and was approved for the treatment of Dry Ey in 2016 . LFA-1 is a heterodimeric member of the β2 integrin family which is essential for adhesion, migration, and proliferation of T cells at sites of inflammation, and is involved in T cell specific immune responses through the formation of adhesive interactions and immunological synapses. Intercellular adhesion molecule‑1 (ICAM‑1) is the cognate ligand of LFA-1.The compound formulation is claimed in patent WO2014100135 ." . "Conestat alfa is a recombinant analogue of the human C1 esterase inhibitor produced by recombinant DNA technology (in transgenic rabbits). The protein sequence of the enzyme peptide chain is identical to the endogenous human enzyme encoded by the SERPING1 gene (P05155) , but it lacks the 22 amino acid signal peptide.
Three nanofiltered/virus filtered, pasteurized, human plasma–derived C1 esterase inhibitor concentrates are already approved by international approval agencies; Berinert® (eMC link), Cetor® (available in the Netherlands and Turkey) and Cinryze® (EMA link)." . "Eteplirsen is a novel oligonucleotide drug for the treatment of Duchenne muscular dystrophy (DMD), caused by specific reading frame mutations in the dystrophin gene . Structurally it is a 30 base morpholino antisense oligomer in which a six-membered morpholine ring replaces the ribose sugars, and a phosphorodiamidate group replaces the normal anionic phosphodiester links between bases. This type of nucleotide is sometimes referred to as a phosphorodiamidate morpholino oligo, or PMO. While the size of this causes molecular indexing and rendering problems, two images of the chemical structure were found. The first from the NIH US National Library of Medicine where they provide the InChIKey KZOVCSBYYXUVDW-UHFFFAOYSA-N. The second is ChemSpider 34983391 with a different InChIKey GHBMWAGCLOEKQK-BMBJILFMSA-N." . "This compound is approved as a component of the so-called 'Quad pill' (Stribild®), an anti-HIV therapy which contains cobicistat, elvitegravir, , and ." . "The marketed formulation contains eliglustat tartrate (PubChem CID 52918379)." . "Norzotepine is a major active metabolite of the drug . Norzotepine acts as a norepinephrine reuptake inhibitor and exhibits anti-depressant and anti-psychotic activity in animal studies ." . "JNJ-479655 is a centrally acting, selective P2X7 antagonist. The enhanced brain to plasma ratio achieved by this compound boosts its utility as a tool to understand the role of P2X7 in CNS models of pathophysiology ." . "This small peptide represents amino acids 67-73 of presenilin 1. The peptide is water soluble ." . "Naloxegol is a PEGylated version of naloxol (α-naloxol PubChem CID 5492271; β-naloxol PubChem CID 5492293). PEGylation reduces the compound's ability to cross the blood-brain barrier, therefore restricting CNS penetration. Naloxegol is termed a peripherally acting μ-opioid receptor antagonist, or PAMORA. The synonyms suffixed with %22oxalate %22 map to the salt as PubChem CID 56959086" . "Brodalumab is a human monoclonal antibody designed for the treatment of inflammatory diseases. It targets the interleukin 17 receptor A (IL17RA).
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "Ixekizumab binds to and blocks its action.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record. A protein BLAST search using the variable region of the heavy chain of ixekizumab identifies this as sequence 118 from patent US7838638 . In this patent binding affinity data for human IL-17 is provided for several antibody clones, but it does not specify which was chosen as ixekizumab, although mAbs 126, 121 and 104 did undergo additional experimental investigations." . "Blonanserin is an atypical antipsychotic." . "Pixantrone is an antineoplastic drug that also shows immunosuppressant activity . It is administered clinically as pixantrone dimaleate (PubChem CID: 9937618)." . "N-desalkylquetiapine is an active metabolite of the antidepressant . N-desalkylquetiapine is approximately 100-fold more potent than quetiapine in inhibition of the norepinephrine reuptake transporter (NET) . This acts to increase dopamine levels in the frontal cortex and adds to the compound's antidepressant effect ." . "Bitopertin is a non-competitive glycine transporter 1 (GlyT1) inhibitor (functionally a glycine reuptake inhibitor) that was developed by Roche as a potential anti-schizophrenia drug. Its chemical structure is represented in ChEMBL by the R-isomer, CHEMBL1169880." . "The marketed formulation is a racemic mixture of stereo-isomers. We show the non-isomeric molecule to represent this mixture. The S enantiomer is known as . R-citalopram has PubChem CID 6101829.
Marketed formulations may contain citalopram hydrobromide (PubChem CID 77995)." . "The marketed formulation is a racemic mixture of stereo-isomers; R-clorazepate and S-clorazepate. We show the non-isomeric molecule to represent this mixture." . "Dosulepin is a tricyclic antidepressant. Functionally it acts as a serotonin-norepinephrine reuptake inhibitor (SNRI) with anticholinergic, antihistamine, and antiadrenergic effects." . "Estazolam is an intermediate-acting oral benzodiazepine derivative with anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant actions." . "Marketed formulations may contain lofepramine hydrochloride (PubChem CID 33611)." . "Selexipag represents a first-in-class selective, long-acting, oral prostacyclin IP receptor agonist. This compound is a prodrug, with the active molecule being ." . "Synthetic analogue of human relaxin. A heterodimer consisting of two chains, each a truncated from of one of the subunit chains of the natural sequence of human relaxin." . "Dexmethylphenidate is a phenethylamine and piperidine class central nervous system stimulant. Chemically, it is the active dextrorotatory (R,R) enantiomer of racemic ." . "Modafinil is a eugeroic (wakefulness-promoting) drug with a multi-faceted mechanism of action. In some jurisdictions this drug is classified as a controlled substance due to its possible addiction potential. It has been termed a 'smart' drug, a group of prescription medications, purchased illegally or used off-label, with alleged cognition-enhancing properties ." . "Perospirone is an azapirone class atypical (second generation) antipsychotic. A higher incidence of extrapyramidal side-effects is associated with perospirone use than with other atypical antipsychotics, but fewer than reported with typical (first generation) antipsychotics." . "One of the subunit chains of , a synthetic analogue of human relaxin." . "One of the subunit chains of , a synthetic analogue of human relaxin." . "Chemically tianeptine can be classified as a tricyclic antidepressant (TCA), but evidence suggests that it has a quite different pharmacological mechanism of action compared to typical TCAs ." . "Zuclopenthixol is a thioxanthene class typical antipsychotic. Chemically it is the cis-isomer of clopenthixol. The CAS registry number (53772-83-1) submitted with the WHO INN record for zuclopenthixol maps to PubChem CID 5311507." . "Gabapentin enacarbil is a prodrug of gabapentin. It exhibits increased bioavailability compared to gabapentin." . "Alglucosidase alfa is recombinant human acid α-glucosidase. The protein sequence of this enzyme is available from the ChEMBL entry." . "Insulin glargine is a recombinant, modified analogue of human insulin. The chemical structure shown here was generated using the SMILES from PubChem CID 44146714.

A number of insulin glargine biosimilars have been approved internationally since the expiration of patents on Lantus® in 2014: a comprehensive list that is maintained by the Generics and Biosimilar Initiative (https://www.gabionline.net) is available here. The first fully interchangeable biosimilar to be FDA approved was Semglee® (insulin glargine-yfgn; Mylan Pharmaceuticals), in July 2021." . "This drug is metabolised to its active metabolite R-138727.
Marketed formulations may contain prasugrel hydrochloride (PubChem CID 10158453)." . "The charged tetravalent nitrogen atom in this molecule reduces its ability to cross the blood-brain barrier, thereby restricting its activity to peripheral targets. This type of peripherally acting mu-opioid receptor antagonist is known by the acronym PAMORA." . "Nepafenac is a non-steroidal anti-inflammatory drug (NSAID)." . "Amfenac is the active metabolite of nepafenac. It is a potent non-steroidal antiinflammatory drug (NSAID) .
Marketed formulations may contain amfenac sodium (PubChem CID 23665728)." . "Chemically omaveloxolone (RTA 408) is a second generation synthetic oleanane triterpenoid compound, which structurally resembles , and has difluoropropanamide replacing the carboxylic acid moiety.
This compound is claimed in patent WO2013163344A1. The chemical structure represented above, was drawn from this patent, but structures with alternate stereochemistry are submitted in PubChem." . "Dupilumab is fully human monoclonal antibody against the α subunit of the IL4 receptor.
Peptide sequences for this antibody are available from its IMGT/mAb-db record. Dupilumab was produced using Regeneron's genetically engineered VelocImmune® mice which have humanized immunoglobulin gene loci and produce human:mouse hybrid antibodies that can rapidly be converted to fully human antibodies ." . "Edoxaban is an oral, once-daily factor Xa inhibitor anticoagulant.
Marketed formulations contain edoxaban tosylate (PubChem CID 44610678)." . "Andexanet alfa is a recombinant modified human Factor Xa (FXa) protein that acts as a mimetic of endogenous human factor Xa, and which was developed as a universal antidote to reverse thhe anticoagulant effects of direct or indirect FXa inhibitors. Information regarding the invention of andexanet alfa is available in patent WO2009042962 ." . "Ocrelizumab is a humanized IgG1 anti-CD20 monoclonal antibody, approved for relapsing multiple sclerosis (RMS) and primary progressive multiple sclerosis (PPMS). This is the first therapeutic to gain approval for both of these forms of MS. Ocrelizumab is a modified version of , developed as a substitute in response to expiration of rituximab patent protection.
The submission documentation for the antibody's INN application contains the peptide sequences for the heavy and light chains of the antibody. BLAST searches of patented peptide sequences reveals identical matches with peptides claimed in patent WO2004056312, which resolve to clones 2H7.v16 and 2H7.v31 ." . "Inhibition of MTH1 (gene symbol NUDT1) by (S)-crizotinib has revealed small molecule MTH1 inhibitors as a promising new class of anticancer compounds." . "Alcaftadine is an antihistamine drug." . "Trimetrexate is a quinazoline derivative dihydrofolate reductase inhibitor . Chemically it is a (MTX) analogue." . "Chemically, dexbrompheniramine is the pharmacologically active dextrorotatory isomer of ." . "Ceruletide is a decapeptide derivative of cholecystokinin with the amino acid sequence is Pglu-Gln-Asp-Tyr[SO3H]-Thr-Gly-Trp-Met-Asp-Phe-NH2 and originally isolated from the skin of the Australian green tree frog, Litoria caerulea. In the research setting ceruletide can be used to induce pancreatitis in experimental animal models." . "Etonogestrel is the active metabolite of the inactive prodrug desogestrel." . "Our representation of this drug and that contained in the ChEMBL and PubChem links exactly matches the structure in the INN record for butorphanol. PubChem CID 6916249 shows a different stereoisomer." . "Synthetic analogue of the A chain of human relaxin." . "Difenoxin is an active metabolite of ." . "Dextropropoxyphene is principally an opioid analgesic. Chemically it is an optical isomer of levopropoxyphene (the (2R,3S) optical isomer with PubChem CID 200742); dextropropoxyphene being the (2S,3R) enantiomer. Marketing in Europe and the US has been discontinued due to concerns of fatal overdoses and heart arrhythmias." . "Dihydrocodeine is a semi-synthetic opioid analgesic." . "Levorphanol is an opioid analgesic. Chemically it is the levorotatory optical isomer of racemorphan (PubChem CID 3918)." . "A component of the approved drug propranolol. Propranolol is a racemic mixture of two enantiomers (+)-propranolol, and (-)-propranolol." . "Synthetic analogue of endogenous human INSL5, which consists of and , each with an amide group at the C terminal." . "Usually available as the chloride or methiodide salts." . "Acitretin is a second generation retinoid drug. Acitretin is an active metabolite of , but may also be reverse metabolised back to etretinate." . "Etretinate is a highly lipophilic second-generation retinoid. Its use has largely been discontinued as it was discovered to be a long-acting teratogen, with detectable levels in plasma up to three years post-therapy." . "Isotretinoin is a retinoid type drug ie it is a vitamin A-like molecule. It is the endogenous agonist for retinoic acid receptors (RARs)." . "Benzatropine (benztropine) is an anticholinergic drug. PubChem CID 1201549 represents an alternative isomer of this compound.
Benzatropine is reported as an inhibitor of the neutral amino acid transporter B0AT1 (SLC6A19) , a recently identified molecular target for treatment of type 2 diabetes and related disorders . Note that the mesylate salt was used in the experiments reported in ." . "Ropivacaine is an amino amide local anaesthetic. We show the (S) enantiomer here, but the name can also be used to refer to the racemic mixture of optical isomers." . "Marketed formulations contain either levomepromazine hydrochloride or levomepromazine maleate." . "Tiludronic acid belongs to the same non-nitrogenous bisphosphonate drug family as and clodronic acid (PubChem CID 25419). Marketed formulations contain tiludronate disodium (PubChem CID 60936)." . "AZD7268 is a potent, selective and reversible CNS‐penetrating and orally bioavailable δ-opioid receptor agonist.
This compound was in the AstraZeneca/MRC repurposing list from 2011." . "Prednicarbate is a nonhalogenated derivative of ." . "Fludroxycortide is a synthetic topical glucocorticoid, used clinically for its antiinflammatory action ." . "Nedocromil is considered to be a mast cell stabilising drug. Chemically it belongs to the benzopyrone family of compounds. In the US, production of inhaled nedocromil was terminated in 2008." . "Cromoglicic acid (cromolyn) is regarded as a mast cell stabilising drug, although its exact mechanism of action appears to be much more complicated.
Recent reports suggest that cromolyn inhibits glycogen synthase kinase 3β and may therefore have potential to treat diabetes and obesity and may prove effective in treating insulin-induced lipoatrophy . It also has reported potential anti-fibrotic action through agonism of GPR35 ." . "TCN-201 is compound 1 in . TCN-201 is a potent negative allosteric modulator of glycine but not glutamate at GluN2A NMDA receptors ." . "Metaxalone is a racemic mixture of two enantiomers; R-metaxalone and S-metaxalone. We show the non-stereo structure to represent the mixture." . "Carisoprodol is a racemic mixture of enantiomers; R-carisoprodol and S-carisoprodol. We show the non-stereo molecule to represent the mixture." . "Benzonatate is a non-narcotic antitussive. It is classified as a butylamine compound, and has structural similatities to ester type local anesthetics (e.g. and tetracaine). It has reduced abuse potential compared to opioid-like antitussives." . "Phensuximide is a racemic mixture of enantiomers; R-phensuximide and S-phensuximide. We show the non-stereo molecule to represent the mixture. One tautomer is also recognised, with PubChem CID 53881854" . "Synthetic analogue of endogenous mouse INSL5 consisting of the and the , each with an amide group at the C-terminal" . "Marketed formulations contain trimethobenzamide hydrochloride." . "The approved drug is a racemic mixture of enantiomers; R-secobarbital and S-secobarbital. We show the non-stereo structure to represent the mixture." . "This ligand is also represented on ChEMBL by the entry with ID CHEMBL1242." . "The approved drug is a racemic mixture of enantiomers; R-guaifenesin and S-guaifenesin. We show the non-stereo structure to represent the mixture." . "ZM447439 is an inhibitor of Aurora kinases A and B ." . "Hesperadin is an Aurora kinase B inhibitor ." . "Betanidine is a guanidinium-based sympatholytic antihypertensive drug." . "Enclomiphene is the trans isomer component in the racemate drug and has also been assigned an INN in its own right." . "Marketed formulations may contain melphalan hydrochloride." . "Chemically uramustine is a derivative of nitrogen mustard and uracil. It is used clinically as a DNA alkylating anti-cancer chemotherapeutic." . "Compound 23 is a analogue which inhibits the major nicotine metabolising enzyme, cytochrome P450 2A6 (CYP2A6) ." . "Thiotepa is an organophosphorus DNA alkylating anti-cancer chemotherapeutic ." . "Marketed formulations contain fosaprepitant dimeglumine." . "Carboplatin is a platinum-based chemotherapy drug." . "BP 897 is a partial agonist of the dopamine D3 receptor ." . "Cobimetinib is an allosteric inhibitor of MEK serine/threonine protein kinases, with selectivity for MEK1 and MEK2 .
Note that cobimetinib has been erroneously referred to as cometinib and this has propagated in online resources- cometinib is not an official synonym." . "Testosterone phenylpropionate is a ester with improved bioavailability and metabolic half life compared to the endogenous hormone." . "Testosterone isocaproate is a ester with improved bioavailability and metabolic half life compared to the endogenous hormone." . "Testosterone decanoate is a synthetic drug with improved bioavailability and metabolic half life compared to the endogenous hormone." . "Cariprazine is an antipsychotic. Our structure was drawn from the INN record which shows stereo-chemistry for this compound. PubChem have a record only for the non-chiral molecule, with CID 11154555. The compound is liphophilic meaning that it can easily cross the blood-brain barrier, to reach its site of action ." . "This drug is a PEGylated version of recombinant human interferon beta-1a ." . "Dulaglutide is a GLP-1 mimetic. This treatment has the benefit of being long-acting, with in vivo studies showing peptide immunoreactivity is detactable >6 days following administration . Therefore dulaglutide requires administration only once a week ." . "Laquinimod is an experimental immunomodulator being investigated as an oral treatment for multiple sclerosis (MS) ." . "Simotinib is an oral, epidermal growth factor receptor tyrosine kinase inhibitor . It was developed by Jiangsu Simcere Pharmaceutical Research Company in Nanjing, China. See also patent WO2010021918A1. Simotinib treatment is associated with serious adverse effects on gastrointestinal physiology ." . "This is the active isomer of . The clinically used compound is levobetaxolol hydrochloride (PubChem CID 60656)." . "Icotinib is a selective, orally available epidermal growth factor receptor tyrosine kinase inhibitor . Icotinib is a 'pseudo' INN, that takes the form of an INN, but has not been submitted to the World Health Organisation for ratification." . "PKI166 is an experimental, reversible inhibitor of epidermal growth factor receptor tyrosine kinase . This is compound 46 in . Development of this compound as a clinical candidate has been terminated." . "AEE788 is a reversible inhibitor of EGFR, HER2 and VEGFR1-3 with antitumor and antiangiogenic activity . This compound has been evaluated in phase I clinical trial where inhibition of EGFR was reported." . "Pelitinib is an irreversible inhibitor of EGFR and HER2." . "Varlitinib selectively and reversibly binds to both EGFR and HER2 and prevents their phosphorylation and activation, and is being investigated for the treatment of some types of cancer. Some bioactivity data may be linked to the tosylate salt (PubChem CID 56842258).
This clinical candidate has completed Phase II clinical trials. Click here to view varlitinib trials registered with ClinicalTrials.gov." . "Falnidamol is a selective and reversible inhibitor of EGFR and HER2." . "BMS-599626 is an orally bioavailable inhibitor of the HER1, HER2 and HER4 tyrosine kinases. Note that some biocativity data may be assiociated with the hydrochloride salt AC-480 (PubChem CID 46930994).
This compound is being investigated as an antineoplastic agent .<" . "Rivoceranib (a.k.a. apatinib) is an orally bioavailable, small-molecule multitargeted tyrosine kinase inhibitor, with substantial inhibitory action against vascular endothelial growth factor receptor-2, but it also inhibits c-Kit and c-SRC tyrosine kinases . The drug is administered as the mesylate salt (PubChem CID 45139106). Its principal clinical effect is as an angiogenesis inhibitor." . "Lucitanib is an inhibitor of multiple receptor tyrosine kinases that was investigated for anti-angiogenic and anti-tumourigenic efficacy." . "UNC9975 is an analog of and is a β-arrestin–biased dopamine D2 receptor ligand ." . "UNC0006 is an analog of and is a β-arrestin–biased dopamine D2 receptor ligand " . "UNC9994 is an analog of and is a β-arrestin–biased dopamine D2 receptor ligand " . "This compound is represented on ChEMBL with slightly different stereochemistry by CHEMBL2096623." . "PF-4708671 is an inhibitor that can be used as a tool compound to study the activity of the AGC family protein kinase RPS6KB1 (p70S6K). PF-4708671 has some off-target activity against MSK1." . "Note that the 2010 FDA approval is for the fixed-mixture combination oral contraceptive detailed in the Clinical data tab." . "Estradiol valerate is a synthetic ester of the endogenous estrogen, . This ester is absorbed more slowly and has a longer duration of action than the native hormone. Estradiol valerate is cleaved in vivo by plasma and liver esterases to form 17β-estradiol and valeric acid." . "PubChem CID 51351551 represents an alternative isomer of this compound." . "Brexpiprazole is a serotonin-dopamine activity modulator (SDAM) ." . "Lesinurad is an orally available inhibitor of URAT1, the renal transporter that regulates uric acid excretion from the body ." . "Benralizumab is a humanized, afucosylated mAb targeting the IL5Rα which is expressed by cells of the eosinophil lineage. The antibody is afucosylated (ie has fucose containing oligosaccharide side-chains removed) to improve structure, stability, and biological function.
Peptide sequence information for this antibody is available from its IMGT/mAb-DB link." . "Peptide sequence information for this antibody is available from its IMGT/mAb-DB link. The moxetumomab monoclonal has been mutated to increase affinity for CD22 (patent WO2003027135), and the antibody is fused to a 38 KDa fragment of Pseudomonas exotoxin-A (PE38) (patent US7982011 ). The Uniprot accession for Pseudomonas exotoxin-A is P11439." . "AZD8529 is a metabotropic glutamate receptor 2 (mGluR2) positive allosteric modulator. Since the original schizophrenia indication is not being pursued it is offered for clinical and preclinical research to explore novel biology with a view to repurposing (it was also in the 2012 NCATS set). Discussed as Case Study (1) in the AZ 2014 review paper ." . "AZD3778 was an investigational chemokine receptor antagonist, being evaluated as a potentila treatment for asthma. However, the compound failed to show efficacy and development project was halted. A poor level of target engagement and sub-optimal pharmacodynamic activity due to the pharmacokinetic properties of the compound were likely causes. This compound is discussed in the AZ 2014 review paper ." . "AZD1981 was an investigational compound being assessed as a potential treatment for asthma. Mechanistically it is a potent, orally active, selective and reversible antagonist of the DP2 receptor (CRTH2).
This compound is now included for repurposing in the AstaZeneca's Open Innovation Pharmacology Toolbox. It was also Case Study (2) in the AZ 2014 review paper ." . "Lanicemine (AZD 6765) was originally developed as a neuroprotective agent, but was repurposed as an antidepressant with potential for the management of severe and treatment-resistant depression . However, the compound failed to meet study endpoints, so development was halted. The compound is discussed in the AZ 2014 review paper .
The structure represented here shows stereochemistry identical to the INN record wheras PubChem CID 3038485 represents the non-chiral molecule." . "GSK269962A is an inhibitor that can be used as a tool compound to study the activity of the AGC family protein kinases ROCK1 and ROCK2. GSK269962A has some off-target activity against the protein kinases MSK1 and RSK1." . "This direct thrombin inhibitor prodrug (aka AZD0837) from AstraZeneca was the follow-up for . It is dicussed in the recent AZ 2014 review paper ." . "PF-592379 was investigated as a potential treatment for female sexual dysfunction and male erectile dysfunction." . "Lebrikizumab is a clinical candidate anti-IL-13 monoclonal antibody.
Peptide sequence and structural information for this antibody are available from its IMGT/mAb-db record." . "The Nucala® brand of mepolizumab is a humanized interleukin-5 antagonist monoclonal antibody produced by recombinant DNA technology in Chinese hamster ovary cells." . "AZD5672 was an investigational small molecule antagonist of the C-C chemokine receptor type 5 (CCR5) expressed on T cells. AZD5672-induced CCR5 blockade was investigated for action in treating rheumatoid arthritis, but with discouraging clinical trial results. Other CCR5 antagonists ( and ) have also proven ineffective in RA clinical trials

The structure shown here was drawn from ." . "AZD6703 is a potent, selective and reversible orally bioavailable inhibitor of p38 mitogen-activated protein kinase 14 (MAPK14).
This compound was in the AstraZeneca/MRC repurposing list from 2011." . "AR-H067637 is the major active metabolite of atecegatran metoxil . PubChem have the non-chiral version of this compound listed with CID 10298659." . "From Centruroides elegans (Bark scorpion)." . "Eluxadoline is a first-in-class, locally-acting dual μ-opioid receptor agonist and δ-opioid receptor antagonist ." . "Pidilizumab was developed with the intention of targeting the lymphocytic programmed death receptor-1 (PD-1) immune checkpoint. It is a humanized antibody derived from the murine BAT-1 monoclonal . However, the originators (Medivation, licensed from CureTECH) have disclosed that the main mechanism of action of pidilizumab is not PD-1 blockade> The CureTECH website states that the primary molecular target is in fact the NOTCH ligand Delta-like 1 (DLL1). They go on to identify hypoglycosylated/nonglycosylated forms of PD-1, that are found on a distinct subpopulation of exhausted T cells, as secondary pidilizumab binding partners. Pidilizumab is an IgG1 isotype which suggests potent ADCC (antibody-dependent cell-mediated cytotoxicity) activity, which may or may not explain its clinical effect. This is in contrast to many of the other anti-PD-1 and anti PD-L1 mAbs which are IgG4 with much weaker effector activity, or that have been engineered to exhibit decreased FcR binding. This revelation around pidilizumab's MOA is discussed further in the 'In the Pipeline' blog post Medivation Decides That Their Drug Isn't What They Thought.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "SB269652 was originally described as an allosteric antagonist at dopamine D3 and D2 receptors . Further analysis has revealed a novel mechanism of allostery, which relies on the presence of receptor dimers . SB269652 acts as a bitopic ligand , with one pharmacophore binding to one receptor protomer and the other pharmacophore allosterically modulating the binding of a ligand on the second partner in the dimer, in this instance rendering the compound a negative allosteric regulator of dopamine binding to the D2 receptor .
PubChem CID 9910352 represents the compound structure without specified stereochemistry." . "AZD4017 is a selective inhibitor of 11-beta-hydroxysteroid dehydrogenase type 1 (11β-HSD1) . This compound is listed in AstraZeneca's OpenInnovation Pharmacology Toolbox ." . "AZD0328 is a nicotinic acetylcholine receptor alpha 7 (α7 nAChR) agonist. AZD0328 was developed as a potential treatment for the cognitive impairment associated with diseases such as schizophrenia and Alzheimer's disease. This compound is included in AstaZeneca's Open Innovation Pharmacology Toolbox." . "AZD1208 inhibits all members of the proviral integration Moloney virus (PIM) serine/threonine kinase family, that was intended for use as an anticancer drug . This compound is included in AstaZeneca's Open Innovation Pharmacology Toolbox." . "Vistusertib (AZD2014) is a selective inhibitor of Mammalian target of rapamycin (mTOR) serine/ threonine kinase. This compound is included in AstaZeneca's Open Innovation Pharmacology Toolbox." . "BI-D1870 is a pan-inhibitor of RSK protein kinases. BI-D1870 has some off-target activity against the MST2 protein kinase." . "AZD1656 activates glucokinase (GCK; P35557). AZD1656 was developed as a potential treatment for diabetes. This compound is included in AstaZeneca's Open Innovation Pharmacology Toolbox." . "Adavosertib (AZD1775) inhibits WEE1 G2 checkpoint kinase. It was developed as a potential adjunctive therapeutic for advanced solid tumours. This compound is included in AstaZeneca's Open Innovation Pharmacology Toolbox." . "SRT1720 is a selective SIRT1 activator. SRT1720 binds to the SIRT1 enzyme–peptide substrate complex at an allosteric site amino-terminal to the catalytic domain . In vivo studies show that SIRT1 activation has the potential to improve insulin sensitivity in animal models of obesity, and improve glucose homeostasis . This indicates the potential of such compounds as treatment for type II diabetes." . "AZD2927 blocks the potassium channels Kir3.1/Kir3.4 which convey an inwardly rectifying potassium current (IKACh). AZD2927 was used as an investigative compound as a potential treatment for patients with atrial flutter, but efficacy was not shown. This compound is now included in AstaZeneca's Open Innovation Pharmacology Toolbox." . "The chemical structure shown here was drawn from . LUF6200 acts as an inhibitory allosteric modulator of the human ether-à-go-go (hERG) K+ channel, with respect to and , but displays positive co-operativity with K+ ions ." . "Lesogaberan is an agonist of gamma-aminobutyric acid receptor B (GABAB). This was an investigational compound tested for potential to treat gastroesophageal reflux disease (GERD). This compound is now included in AstaZeneca's Open Innovation Pharmacology Toolbox." . "AZD3463 was investigated as a treatement for non-small cell lung cancer (NSCLC) patients who have developed resistance to . AZD3463 inhibits the tyrosine kinases ALK and IGF1R. This compound is included in AstaZeneca's Open Innovation Pharmacology Toolbox." . "AZD4547 was a fibroblast growth factor receptor (FGFR) tyrosine kinase family inhibitor, investigated as a potential treatment for solid tumours. This compound is now included in AstaZeneca's Open Innovation Pharmacology Toolbox." . "AZD4877 was developed as an inhibitor of the kinesin spindle protein KIF11 (aka Eg5) and was investigated as a potential treatment for haematopoietic and solid malignancies. This compound is now included in AstaZeneca's Open Innovation Pharmacology Toolbox." . "Cilnidipine is a calcium channel blocking antihypertensive drug." . "Capivasertib (AZD5363) was developed as an inhibitor of the AKT serine/threonine protein kinases , and was investigated as a potential therapeutic for solid and haematological malignancies. This compound is now included in AstaZeneca's Open Innovation Pharmacology Toolbox." . "AZD5582 is a Smac mimetic which acts as an antagonist of the inhibitor of apoptosis proteins (IAPs). It was investigated as a potential therapeutic for solid tumours. This compound is now included in AstaZeneca's Open Innovation Pharmacology Toolbox.
The chemical structure represented here was drawn from , where it is compound 14." . "AZD6495 is an investigational inhibitor of the colony stimulating factor-1 receptor (CSF-1R) tyrosine kinase . It was developed as an antineoplastic agent. This compound is now included in AstaZeneca's Open Innovation Pharmacology Toolbox." . "AZD7325 was developed as a positive allosteric modulator of the GABAA α2 and α3 channels and was investigated as a treatment for generalised anxiety disorder. This compound is now included in AstaZeneca's Open Innovation Pharmacology Toolbox." . "AZD7762 was developed as an inhibitor of the checkpoint kinases, Chk1 and Chk2 , and was investigated as a therapeutic for solid and haematological malignancies. This compound is now included in AstaZeneca's Open Innovation Pharmacology Toolbox." . "BIX 02565 is an inhibitor that can be used as a tool compound to study the activity of the AGC family protein kinase RSK2. Known off-target effects have been determined against LRRK2, PRKD1/2/3 and RET kinases." . "AZD8055 is an inhibitor of the mammalian target of rapamycin (mTOR) kinase . AZD8055 was investigated as a potential treatment for various types of relapsed and/or refactory cancer. This compound is now included in AstaZeneca's Open Innovation Pharmacology Toolbox." . "AZD8329 is an inhibitor of 11-beta-hydroxysteroid dehydrogenase type 1 (11β-HSD1). This compound is included in AstaZeneca's Open Innovation Pharmacology Toolbox." . "AZD8542 was developed as an antagonist of Smoothened (SMO), with potential as an oncology therapeutic . This compound is now included in AstaZeneca's Open Innovation Pharmacology Toolbox." . "Sapitinib is an inhibitor of all members of the epidermal growth factor receptor (EGFR) receptor tyrosine kinase family and was investigated as a potential oncology therapeutic. This compound is now included in AstaZeneca's Open Innovation Pharmacology Toolbox." . "Osimertinib (AZD9291) is a third-generation, potent, selective and irreversible inhibitor of the epidermal growth factor receptor (EGFR) tyrosine kinase bearing mutations which either sensitise the receptor, or cause drug resistance (eg the T790M mutation) . The compound is less effective against the wild-type receptor.
This compound is included in AstaZeneca's Open Innovation Pharmacology Toolbox. There are reports of acquired resistance to osimertinib with tumours developing the C797S and L718Q mutations .

Third-generation mutant EGFR inhibitors are being developed to circumvent dose-limiting WT EGFR-driven toxicities such as gastrointestinal toxicity and rash. The progress being made in developing advanced generation EGFR inhibitors is discussed by Yu and Riely (2013) and Ou and Soo (2015) ." . "This compound is represented in PubChem with slightly different stereochemistry by CID 45115620." . "The monohydrochloride is described in the article , which provides the IUPAC name, 2-(adamantan-1-yl)-N-[2-methyl-5-(9-oxa-3,7-diazabicyclo[3.3.1]non-3-ylcarbonyl)phenyl]acetamide monohydrochloride, for this compound. We represent the molecule here, without the hydrochloride. AZ11657312 is an antagonist of the purinergic receptor 2X, ligand-gated ion channel 7 (P2X7) which is implicated the molecular mechanisms underlying pain and inflammation, as its activation leads to the release of proinflammatory cytokines such as interleukin (IL)-1, tumor necrosis factor (TNF)-α, and IL-6 . AZ11657312 has been investigated as an antiinflammatory treatment for conditions such as COPD, Crohn's disease and osteo- and rheumatoid arthritis.
This compound is now included in AstaZeneca's Open Innovation Pharmacology Toolbox." . "AZ12260493 was developed as an agonist of the liver X receptors α and β and investigated as a treatment for dyslipidaemia. This compound is now included in AstaZeneca's Open Innovation Pharmacology Toolbox." . "This structure was drawn from ." . "This structure was drawn from . AZ12971554 is an investigational direct thrombin inhibitor. Direct thrombin inhibitors are considered to exhibit improved clinical properties compared to the historically used anticoagulant .
This compound is now included in AstaZeneca's Open Innovation Pharmacology Toolbox." . "AZD5904 is compound TX4 in . AZD5904 was developed as a myeloperoxidase (MPO; P05164) inhibitor, but was abandoned as a clinical candidate for the treatment of inflammatory conditions involving oxidative stress. This compound is now included in AstaZeneca's Open Innovation Pharmacology Toolbox." . "Compound 1a is a surrogate agonist for GPR139, identified in a screening study ." . "Xevinapant (formerly AT-406, Debio 1143) is an orally available inhibitor of IAPs (inhibitor of apoptosis proteins), that is in development for anticancer potential. It was initially developed by Ascenta Therapeutics, and was originally progressed by Debiopharm. Merck in-licensed the asset when it was in late stage development. Structurally, xevinapant is a small molecule SMAC mimetic; SMAC being an endogenous IAP antagonist. Inhibition of IAPs which are often overexpressed in cancer cells (blocking apoptosis) leads to cancer cell death. SMAC mimetic-induced cancer cell death appears to involve multiple pathways, including re-activation of the apoptotic pathway, and/or ubiquitin-directed degradation of IAPs, which promotes TNFα/caspase-8-induced cell death ." . "Bococizumab is an experimental monoclonal antibody directed against PCSK9 . Anti-PCSK9 antibodies are under intense clinical lead scrutiny, as the successors to statins for the treatment of hyperlipidemia and associated atherosclerotic cardiovascular disease. Peptide sequences for this antibody are available from its IMGT link. Based on sequence alignment bococizumab relates to antibody clone L1L3 in patent US8080243, with SEQ IDs 53 and 54 matching the sequences in the INN record for bococizumab." . "Saracatinib was developed as an inhibitor of Src family tyrosine kinases. This compound is now included in AstaZeneca's Open Innovation Pharmacology Toolbox.
Note that some bioactivity data may be associated with the difumarate salt (PubChem CID 44195703).
Saracatinib (AZD0530) is compound 33 in ." . "SM-377 is compound 6 in . SM-337 is a potent, orally bioavailable Smac mimetic which acts as an antagonist of caspase binding to IAP family members, XIAP, cIAP1 and cIAP2 ." . "Lipopeptide agonist of the apelin receptor. This palmitoylated peptide is the first of its kind found to be an agonist at this receptor." . "GDC-0152 is reported to be a potent small-molecule antagonist of inhibitor of apoptosis (IAP) proteins . The compound is a Smac mimetic, and antagonises binding of caspases to BIR domains of IAP proteins. This action restores apoptosis." . "From patent searching it looks likely that this compound is Example 9 from patent WO2007113558 A2, which gives affinity data in line with that provided on the compound's page in AstaZeneca's Open Innovation Pharmacology Toolbox . Converting the chemical name (4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]-N-[2-(trifluoromethyl)pyridin-4-yl]benzamide) to smiles leads to PubChem CID 16750158. This is the structure we show here." . "From patent searching this compound would appear to be Example 2 from patent WO 2004004726 A1, which maps chemically to PubChem CID 9927967. This is the structure we show here.
AZ13483342 is included in AstaZeneca's Open Innovation Pharmacology Toolbox. It was developed as an antagonist of the melanin concentrating hormone receptor 1 (MCH1) as a potential diabetes therapeutic . AZ13483342 is compound 7 in ." . "Rucaparib is an orally active poly(ADP-ribose)polymerase (PARP) inhibitor with anti-cancer activity . It was developed by Clovis Oncology.
PARP inhibitors are known to enhance efficacy of anti-cancer therapies such as DNA alkylating agents, topoisomerase I poisons, and ionizing radiation.
Note that in the Thomas et al. paper , AG014699 refers to the phosphate salt and AG14447 to the parent molecule.
Rucaparib was accepted for FDA priority review for the treatment of advanced ovarian cancer harbouring mutant BRCA (August 2016).
Note: was the first PARP inhibitor to be approved for clinical use." . "Toxin from Heterometrus laoticus (Thai giant scorpion)." . "From the venom of Dendroaspis polylepis polylepis (Black mamba)" . "This ligand is represented in ChEMBL without the chloride by the entry with ID CHEMBL365739." . "Alectinib is a second generation ALK inhibitor. It was developed to inhibit the expression of the mutated ALK gene that causes growth of some non-small cell lung cancers, in patients whose cancer has become resistant to the older ALK inhibitor, . However, additional mutations may develop which confer alecitinib resistance . Cells harbouring these novel mutations are reported to be sensitive to and other next-generation ALK tyrosine kinase inhibitors . The identification of the mechanisms by which acquired tumour resistance occurs highlights the importance of being able to use the correct drug for the correct patient to maximise the clinical benefit
The design and synthesis of alectinib (CH5424802) is described in ." . "ASP-3026 is a second generation ALK inhibitor designed to target ALK rearrangements which are the oncogenic drivers of some non-small cell lung cancers (NSCLCs) and T-cell lymphomas known as ALK- expressing anaplastic large-cell lymphoma (ALK+ALCL) ." . "Brigatinib (AP26113) is a phosphine oxide-containing drug developed as a treatment for cancers driven by anaplastic lymphoma kinase (ALK) rearrangements or by T790M gatekeeper mutant EGFR. It is an orally available inhibitor." . "Conopeptide from Conus planorbis (Planorbis cone)." . "Izorlisib (MEN1611 and formerly CH5132799) is described as a potent, orally available class I PI3K inhibitor . Clinical development of CH5132799 has been licenced to Menarini Pharma from Chugai Pharmaceutical Co, hence the change in research code.
The chemical structure of MEN1611 is identical to that which was submitted to the WHO for the INN izorlisib (proposed INN list 126, Jan 2022)." . "RGB-286638 is a multi-targeted kinase inhibitor. It inhibits transcriptional-type CDKs (cyclin dependent kinases) such as CDK9, to achieve an anti-multiple myeloma effect which is independent of p53 status , providing a proof of concept which could lead to the development of compounds with activity in p53 deleted multiple myeloma.
A Phase I safety and tolerability study, NCT01168882, was withdrawn from ClinicalTrials.gov (2012), although results of this study have been published.." . "FK866 is a highly specific non-competitive inhibitor of nicotinamide phosphoribosyltransferase (NAMPT; P43490) , an enzyme required for the biosynthesis of nicotinamide adenine dinucleotide (NAD+)." . "Nirogacestat (PF-3084014) is compound 14f in where it is described as a centrally active γ-secretase inhibitor. PF-3084014 also acts as an inhibitor of the NOTCH signalling pathway, and can promote cell cycle arrest and induce apoptosis in leukemia cells . As such, it was predicted to enable improved efficacy of the standard chemotherapy used in chronic lymphocytic leukemia (CLL) treatment ." . "Inecalcitol is an investigational vitamin D receptor agonist. It is an analogue the naturally occurring active metabolite of vitamin D, (calcitrol)." . "AT-076 is an experimental pan antagonist of the opioid receptor family ." . "Emibetuzumab is an investigatonal monoclonal antibody designed as a potential treatment for advanced or metastatic solid tumors.
Peptide sequence information for this antibody is available from its IMGT/mAb-DB record." . "Dusigitumab is an investigational monoclonal antibody which neutralises circulating insulin-like growth factor (IGF)-I and IGF-2. These growth factors regulate cell growth, survival, differentiation, and transformation. Antibody-mediated ligand neutralisation prevents these growth hormones from activating signalling via both IGF1R and IR-A (insulin receptor isoform A, Uniprot identifier P06213-2, RefSeq protein NP_001073285).
Peptide sequence alignment suggests that dusigitumab is antibody 7-159-1 in patent US7939637 ." . "Amatuximab is a chimeric monoclonal antibody to mesothelin (MSLN; Q13421), a cell surface glycoprotein highly expressed in malignant pleural mesothelioma, all pancreatic adenocarcinoma, the majority of ovarian adenocarcinoma, as well as in non-small cell lung and colorectal cancers.
The crystal structure of the Fab fragment of amatuximab in complex with a mesothelin fragment (amino acids 7-64) has been deposited in Protein Data Bank with accession 4F33 ." . "17-AAG inhibits the activity of hsp90. The compound is a derivative of the antibacterial geldanamycin.
As with other natural products, there is some ambiguity in the absolute stereochemistry annotated by different online resources. PubChem records an alternative isomer with a Z bond at position 12 which has CID 6505803." . "This is compound 10n in . It is a potent antagonist of the MCH1 receptor." . "This is a stereoisomer of ." . "Florbetaben F18 is the third PET (positron-emission tomography) reagent approved to identify amyloid-β (Aβ) as a diagnostic biomarker in the brains of patients with Alzheimer's disease (AD) . and are the two other PET reagents approved for Aβ detection. These diagnostic tools allow direct and non-invasive in vivo visualisation and quantification of Aβ." . "[125I]-SD6 is a radio-labelled, non-selective melatonin receptor ligand." . "CCG-50014 is a potent small molecule inhibitor of regulator of G-protein signaling protein 4 (RGS4) ." . "CGP13501 is a positive allosteric modulator of GABAB Class C GPCRs which potentiates GABA-induced GTPγ[35S] binding, but displays no intrinsic agonist activity." . "Mavrilimumab targets CSF2RA (aka GM-CSFRα).
Peptide sequences for this antibody are available from its IMGT/mAb-DB record. Peptide sequence analysis identifies mavrilimumab as antibody 6 in patent US8263075 ." . "Pascolizumab targets interleukin 4 (IL4)." . "cis-JB253 is described in . The structure is based upon that of the diabetes sulfonylurea drug . This compound is formed from upon photoisomerization using blue light. This isomerization process is reversible. The molecule is active in the cis-state, increasing insulin production from pancreatic B-cells in vitro. It is postulated that this type of photoswitchable compound could in the future, allow better control of blood glucose in diabetic patients .
Note that the PubChem CID we link to does not specify the cis-trans state of the compound." . "trans-JB253 is the inactive photoisomer of ." . "Lanabecestat (AZD3293) is an oral, potent and selective small molecule inhibitor of BACE1 being developed by AstraZeneca and Eli Lilly . It is now proceeding to Phase III trials . Note our initial chemical assignment was based on the crystallisation data in US20140031379 but the name is now attached to two CIDs, the one designated in this entry with correct stereoisomer and the flat form as PubChem CID 57404290" . "AZD3971 is an AstraZeneca BACE1 inhibitor. While not published in its own right so far, it has been reported for targeting amyloid beta production in a mouse model of Alzheimer's disease (AD) in combination with the gamma secretase modulator ." . "Alisertib is a second generation, orally bioavailable and selective Aurora kinase A inhibitor." . "Momelotinib (a.k.a. CYT387 and GS0387) is an investigational, oral, ATP-competitive Janus kinase inhibitor . Momelotinib also inhibits the bone morphogenetic protein kinase ACVR1 (activin A receptor type 1, ALK2), a mechanism that improves iron homeostasis and erythropoiesis via down-regulation of hepcidin , and which may provide benefit in anaemia in myelofibrosis ." . "Baricitinib is a JAK1 and 2 selective inhibitor. The compound is orally bioavailable.

SARS-CoV-2 and COVID-19: The powerful anti-inflammatory activity of baricitinib (and potentially other approved JAK inhibitors such as , and ) was suggested as potential therapeutic option to combat the immunopathological effects of SARS-CoV-2 infection in patients with severe COVID-19. A number of small-medium sized clinical studies have examined the effect of short-term baricitinib (or other JAK inhibitors) treatment in hospitalised patients with confirmed COVID-19. Such short term use of this drug during the course of SARS-CoV-2 infection (7-14 days) is not anticipated to cause serious side-effects. In March 2022, data reported from the largest of the baricitinib studies (part of the University of Oxford-led RECOVERY trial) indicated that it provided clinical benefit in hospitalised COVID-19 patients, including in those already receiving other standard care immunomodulatory treatments (e.g. , ) or the antiviral drug . This made baricitinib the 4th effective COVID-19 therapy to be identified by the RECOVERY trial.

Through the application of proprietary artificial intelligence (AI) algorithms baricitinib was predicted to possess antiviral activity in addition to its known anti-inflammatory efficacy . Antiviral activity is predicted to arise from inhibition of the numb-associated kinase (NAK) AAK1 which is an important regulator of clathrin-mediated endocytosis. Inhibition of AAK1 would likely reduce the ability of viruses to infect lung cells, and is being proposed as a pharmacological mechanism that warrants further investigation as a treatment for SARS-CoV-2 infection." . "Pacritinib is an orally bioavailable and somewhat selective inhibitor of Janus kinase 2 (JAK2) and the JAK2 gain-of-function mutant JAK2V617F . At clinically relevant concentrations, pacritinib does not inhibit JAK1. It also has some inhibitory activity against FMS-like tyrosine kinase 3 (FLT3)." . "Andarine is a nonsteroidal selective androgen receptor modulator, with agonist activity , via interaction with the orthosteric pocket of the receptor." . "Taselisib is a potent and orally bioavailable kinase inhibitor which inhibits the PI3Kα, γ and δ isoforms but not the β isoform. It is compound 11l in ." . "Duvelisib is an orally active, dual inhibitor of phosphoinositide-3 kinase (PI3K)-δ and PI3K-γ . It was developed for the treatment of advanced hematolgical malignancies including CLL, SLL and FL ." . "Fostamatinib is a spleen tyrosine kinase (Syk) inhibitor prodrug. Fostamatinib is administered orally in disodium salt preparations (e.g. PubChem CID 25008120 and fostamatinib disodium hexahydrate CID 24828759). It is rapidly converted to by alkaline phosphatases in intestinal enterocytes . Although development in rheumatoid arthritis was discontinued in 2013 due to a lack of observed efficacy, development continued in patients with chronic and persistent immune thrombocytopenia (ITP)." . "Galunisertib is a first-in-class investigational inhibitor of the receptor tyrosine kinase, growth factor-β receptor type I (TGFβRI) . It is being evaluated as a novel anticancer agent." . "The chemical structure shown here is the (1S-2R) isomer of the compound ME, this represented the minor product of the synthesis , with the major component being the (1S-2S) isomer. Data from the manuscript was produced using the former isomer, simply called ME in the text." . "The chemical structure shown here is the (1S-2R) isomer of the compound ET, this represented the minor product of the synthesis , with the major component being the (1S-2S) isomer. Data from the manuscript was produced using the former isomer, simply called ET in the text." . "The discovery of this compound is described in Demont et al (2014) DOI: 10.1021/ml5002932." . "The discovery and activity of this compound is described in Demont et al (2014) ." . "The discovery and activity of this compound is described in Demont et al (2014) ." . "RXP470.1 is a potent and selective MMP-12 inhibitor (Ki 0.24 nM) and 3D structure 4GQL . In 2011 it was reported to reduce atherosclerotic plaque development in apolipoprotein E-knockout mice . A 2014 papert used RXP470.1 to indicate that inhibiting extracellular MMP-12 could be a new avenue for antiviral treatments . There are multiple stereoisomers in PubChem but the structure chosen connects the paper with the PDB structure and the assay data" . "GSK650394 is an inhibitor of the AGC protein kinases SGK1 and SGK2." . "OTS964 is a potent and selective inhibitor of the PDZ binding kinase, PBK (aka TOPK) . The compound is undergoing pre-clinical assessment." . "This drug is approved only in South Korea, for the treatment of chronic myeloid leukemia (CML), where its trade name is Supect.
It is Example 5 in patent US7501424 . The marketed formulation contains the hydrochloride salt.." . "This is Example 64 in patent EP1333833 ." . "Orantinib is a multi-kinase inhibitor." . "Talmapimod is an orally bioavailable, investigational small-molecule p38 mitogen-activated protein kinase (MAPK) inhibitor with potential immunomodulating, anti-inflammatory, and antineoplastic activities." . "PH-797804 is a diarylpyridinone inhibitor of p38 mitogen-activated protein (MAP) kinase ." . "AZD1080 is a selective, orally active, brain permeable GSK3 inhibitor, investigated in Phase I clinical trial for Alzheimer's disease. Development was subsequently discontinued.
This compound was in the AstraZeneca/MRC repurposing list from 2011" . "AZD1386 is an orally available antagonist of the transient receptor potential channel TRPV1. It acts as a competitive antagonist at the channel's capsaicin binding site .
This compound was in the AstraZeneca/MRC repurposing list from 2011" . "AZD4619 is a potent, selective and reversible orally bioavailable PPARα receptor agonist.
This compound was in the AstraZeneca/MRC repurposing list from 2011" . "The structure of AZD6088 is shown in . The compound is a potent and selective, orally bioavailable partial agonist of the M1 muscarinic receptor.
This compound was in the AstraZeneca/MRC repurposing list from 2011" . "AZD6605 is a potent, reversible inhibitor of matrix metalloproteinases MMP13 (Collagenase 3), MMP2, MMP9 and MMP12. The discovery of this compound is described in , where it is compound 3m.
This compound was in the AstraZeneca/MRC repurposing list from 2011." . "AZD2423 is a non-competitive negative allosteric modulator of the chemokine receptor CCR2. See the slideset presented by John G Cumming at the 17th RSC/SCI Medicinal Chemistry Symposium, 9th September, 2013, Churchill College, Cambridge for further details of the discovery and molecular mechanism of this compound.
This compound was in the AstraZeneca/NCATS repurposing list from 2012." . "AZD9056 is a potent, selective, orally bioavailable P2X7 receptor antagonist.
This compound was in the AstraZeneca/NCATS repurposing list from 2012." . "AZD7687 is a potent and selective inhibtor of diacylglycerol O-acyltransferase 1 (DGAT1).
This compound was in the AstraZeneca/MRC repurposing list from 2011.
PubChem CID 42636350 represents ths molecule wih no specified stereochemisrty." . "T863 is an investigational inhibitor of diacylglycerol O-acyltransferase 1 (DGAT1) and was tested pre-clinically as a potential treatment for obesity. Development appears not to have progressed to clinical trials.
PubChem CID 9865421 represents the flat molecule without stereochemistry." . "PF-04620110 is a potent and selective inhibitor of diacylglycerol O-acyltransferase 1 (DGAT1) and was developed as a potential treatment for obesity.
PubChem CID 46926360 shows the flat molecule without stereochemistry." . "Compound 1a is a rationally designed urotensin-II receptor (UTS2R) antagonist ." . "Pradigastat is a potent and selective inhibitor of diacylglycerol O-acyltransferase 1 (DGAT1).
The PubChem CID 53387035 shows the molecule with no stereochemistry." . "The discovery of compound 5B is described in . This compound is an inhibitor of diacylglycerol O-acyltransferase 1 (DGAT1) and is being investigated as a potential treatment for obesity.
PubChem CID 71078515 represents ths molecule wih no specified stereochemisrty." . "The discovery of compound 23n is described in . Compound 23n is an inhibitor of diacylglycerol O-acyltransferase 1 (DGAT1) being investigated as a potential treatment for obesity.
PubChem CID 86277844 represents ths molecule wih alternative stereochemisrty." . "Rigosertib is a dual kinase inhibitor, affecting the phosphoinositide 3-kinase (PI3K) and polo-like kinase 1 (PLK1) pathways. Note that the inhibitory action on PLK1 has been disputed . It is a non-ATP-competitive inhibitor, meaning it inhibits substrate binding to the enzyme.
Note that some bioactivity data may be associated with the sodium salt, PubChem CID 23696523." . "SSR128129E is commonly used as the sodium salt (PubChem CID 68853159, CAS number 848318-25-2) and any bioactivity data likely relates to this salt form." . "The discovery of the TL-77, is described in (and also as compound 9a in ). This compound is reported to have improved oral bioavailability compared to , and represents a lead anti-mitotic, anti-cancer agent with potential for further development." . "Losmapimod is a p38 mitogen-activated kinase α/β inhibitor. It was originally developed by GlaxoSmithKline for cardiovascular disease, but this failed to show efficacy. Fulcrum acquired the drug and are repurposing it for the treatment of the progressive muscle wasting disorder facioscapulohumeral muscular dystrophy (FSHD) based on evidence that p38α regulates expression of the FSHD-related gene DUX4 ." . "The discovery of E6201 is described in . It is a fully synthetic analogue of the naturally occurring fungal resorcylic lactone LL-Z1640-2 (PubChem CID 9863776)." . "Spebrutinib acts as an inhibitor of Bruton's tyrosine kinase (BTK)." . "BMS-582949 is an inhibitor of p38 mitogen-activated protein kinase (MAPK). Its discovery is described in ." . "Compound 5z is an analogue of the natural alkaloid camptothecin (PubChem CID 24360) ." . "Ilginatinib (NS-018) is a potent and highly selective JAK2 inhibitor. It has an ATP-competitive mode of action. The chemical structure shown here was rendered from the chemical name provided in . The inhibits some Src family kinases in addition to JAK2 ." . "The synthesis of delcasertib is described in . Delcasertib is a peptidic agent which is an isozyme-selective delta protein kinase C (PKCδ) inhibitor. It consists of a cargo peptide (CSFNSYELGSL) derived from the δV1-1 portion of PKCδ which acts to inhibit PKCδ translocation, conjugated to the cell-penetrating, arginine-rich peptide sequence of the HIV type 1 transactivator protein (TAT45-57 CYGRKKRRQRRR) which acts as a cellular delivery system." . "CX614 is a positive allosteric modulator of the AMPA receptor with respect to AMPA." . "DQP-1105 is a negative allosteric modulator of the GluN2C/D NMDA receptor inhibiting receptor function more potently when glutamate (but not glycine) is present ." . "AZD1236 is a selective MMP-9 and MMP-12 inhibitor (IC50 4.5 and 6.1nM) from Astrazeneca that, since it failed biomarker endpoints for COPD is included in the AZ Open Innovation 2014 set for repurposing. Pending any published link the structure identification is tenatative but seems likely to be the structure crystalised in WO2007106022." . "QNZ 46 is a negative allosteric modulator of the GluN2C/D NMDA receptor inhibiting receptor function more potently when glutamate (but not glycine) is present ." . "Sacubitril is a prodrug activated by de-ethylation via esterases to the neprilysin inhibitor . Neprilysin is also known as neutral endopeptidase (NEP), and its official gene symbol is MME (membrane metallo-endopeptidase ). The chemical database relationships are detailed in this blogpost. Sabucatril is a component of the approved fixed mixture Entresto®, previously known as LCZ696, and which is now approved for heart failure (see Clinical data tab)." . "This compound is a neprilysin (MME-membrane metallo-endopeptidase) inhibitor generated from the prodrug . Sacubitril is a component of the approved fixed-dose combination drug Entresto® (sacubitril plus ). The chemical database relationships are detailed in this blogpost." . "This compound was developed by Novartis Institute as an inhibitor of protease, serine, 8 (PRSS8/prostasin), which acts as an activator of the epithelial sodium channel ENa. Inhibition of such activators may target cystic fibrosis . 257 analogues are included in patent WO2007137080, but without inhibition data." . "This compound is a specific cathepsin K inhibitor (compound 22 in the article), which is used as a functional probe in studying the effects of cathepsin K inhibition." . "Balicatib is an inhibitor of cathepsin K developed by Novartis." . "Relacatib is a cathepsin K inhibitor, developed by GlaxoSmithKline and selected for clinical development in osteoporosis." . "Compound 46 is a modified analogue of , with improved affinity for Aurora kinases A and B ." . "Gabexate (as the mesylate) is an inhibitor of trypsin-like serine proteases and is used in the treatment of pancreatitis, disseminated intravascular coagulation and as a regional anticoagulant for hemodialysis. The mesylate is PubChem CID 6604561." . "Compound 30 is a selective inhibitor of the tyrosine kinase PTK2 (aka FAK). It is a type III inhibitor, meaning that it binds to an allosteric site, not to the ATP active site of the kinase." . "Bisphenol A acts as an estrogen mimic and may also have anti-androgenic activity ." . "ACE2 inhibitor used for animal functional studies." . "ACE2 activator that decreases blood pressure in hypertensive rats." . "This is an MMP12-specific peptide sequence with the active inhibitor released upon enzyme cleavage as a three-step conversion predrug (this entry) > prodrug > drug " . "Prodrug from ." . "MMP12 inhibitor (compound 1) from predrug converted to prodrug " . "Inhibits the hepatitis C viral enzyme NS3.4A serine protease but also has a recent repurposing claim for cathepsin A inhibition ." . "Pimasertib is an orally bioavailable small-molecule inhibitor of the mitogen-activated protein kinases MEK1 and MEK2 (MEK1/2) with potential antineoplastic activity . It binds to an allosteric site, distinct from the ATP binding site and as such prevents activation rather than inhibiting catalysis." . "Picropodophyllin is a lignan extract from podophyllin resin produced in the roots of podophyllum plants. It is an epimer of picropodophyllotoxin. Picropodophyllin has been suggested to act as a selective inhibitor of the insulin-like growth factor 1 receptor (IGF1R) and has potential antineoplastic activity . Its effect via IGF1R have been questioned ." . "Roniciclib is an orally bioavailable cyclin dependent kinase (CDK) inhibitor with potential antineoplastic activity, with selectively for CDK1/cyclin B, CDK2/cyclin E, CDK4/cyclin D1, and CDK9/cyclin T1, which play key roles in the regulation of cell cycle progression and cellular proliferation ." . "Copanlisib is a phosphoinositide 3-kinase (PI3K) inhibitor , preferentially inhibiting PI3Kα and PI3Kβ, and with significant antineoplastic activity . The compound has less potent mTOR activity." . "SR9011 is an estrogen receptor β agonist ." . "Boceprevir is an active site-binding inhibitor of the main protease (nonstructural protein 3, NS3) of hepatitis C virus (HCV). A patent claims boceprevir for repurposing as a cathepsin A modulator . More recently it has been reported to inhibit the 3CL protease (Mpro) of several coronaviruses, including SARS-CoV-2 Mpro . An alternative enantiomer is reported in the SARS-CoV-2 Mpro/boceprevir crystal structure 6WNP, which maps to PubChem CID 71316139." . "The discovery and synthesis of infigratinib (BGJ-398) is described in , where it is compound 1h. It is an orally bioavailable, ATP-competitive pan inhibitor of human fibroblast growth factor receptors (FGFRs) with potential antiangiogenic and antineoplastic activities ." . "The discovery of buparlisib is described in where it is compound 15. Buparlisib is a selective and orally bioavailable phosphoinositide 3-kinase (PI3K) inhibitor ." . "BMS-690514 is a potent inhibitor of human epidermal growth factor (EGF) receptors EGFR, HER2 and HER4 and vascular endothelial growth factor receptors (VEGFRs) 1-3 ." . "Capmatinib (NCB28060) is a novel, oral, ATP-competitive inhibitor of c-MET that was developed by Novartis ." . "The discovery and synthesis of agerafenib (CEP-32496) is described in where it is compound 40. Agerafenib is an orally bioavailable B-Raf proto-oncogene, serine/threonine kinase (BRAF) inhibitor with potential antineoplastic activity, which selectively inhibits the activity of the mutated form (V600E) of BRAF kinase ." . "CP-547632 is a potent inhibitor of VEGFR2 and basic fibroblast growth factor (FGF) receptor kinases ." . "Crenolanib (CP-868,596) is a potent and orally bioavailable benzamidazole Type I inhibitor of wild-type and mutant isoforms of the class III receptor tyrosine kinases FLT3 (FMS-like tyrosine kinase 3), PDGFRα (platelet-derived growth factor receptor), and PDGFRβ . It preferentially binds to phosphorylated active kinases in the 'DFG in' conformation." . "The discovery of CP-724714 is described in . The compound acts as a selective inhibitor of ERBB2 (HER2 epidermal growth factor receptor)." . "Filgotinib is a selective and orally acive JAK1 inhibitor . It is being developed in a collaboration between Gilead Sciences and Galapagos for the treatment of inflammatory indications including psoriatic arthritis, ankylosing spondylitis, Crohn's disease, ulcerative colitis and rheumatoid arthritis. It is proposed as a once daily drug, that is predicted to cause fewer toxicity issues and adverse effects than existing JAK1 inhibitors." . "Ridaforolimus is an investigational targeted and small-molecule inhibitor of the protein kinase mTOR . mTOR inhibition is hypothesised to provide maintenance therapy for patients with metastatic soft-tissue and bone sarcoma who generally have a poor prognosis despite receiving chemotherapy ." . "ENMD-2076 is an orally-active, Aurora A/angiogenic kinase inhibitor. It inhibits a distinct profile of angiogenic tyrosine kinases in addition to the Aurora A kinase. These angiogenic targets include VEGFR, Flt3 and FGFR3 kinases, which have been shown to play important roles in the pathology of several cancers." . "Famitinib is a multi-targeted receptor tyrosine kinase inhibitor . The compound is a structural analogue of .
The INN famitinib appeared in Proposed List 125 which was published by the WHO at the end of July 2021." . "Ipatasertib is an inhibitor of the AKT family of protein kinases . The synthesis of ipatasertib is described in patent WO2008006040 and where it is compound 28 (the Supporting Information for this article contains activity data for compound 28 against a full kinase screening panel). This compound is also represented on PubChem by CID 23649210." . "BV-6 is a bivalent SMAC mimetic which acts as a dual cIAP and XIAP inhibitor ." . "Apitolisib is a dual PI3K/mTOR inhibitor. Its discovery is described in , where it is compound 2 (GDC-0980)." . "Entospletinib is a highly selective and orally available Syk inhibitor. Its discovery (research code GS-9973) is described in where it is compound 68." . "Afuresertib (GSK2110183) is an inhibitor of the AKT family of protein kinases in clincal trials for cancer. Note that in previous releases we had mistakenly linked the structure of GSK2141795 characterised in the same paper (PubChem CID 57826797) that has an extra fluorine in the terminal ring (n.b. several vendors in PubChem still have this name-to-structure error)" . "Cathepsin A inhibitor with PDB structure. Investigations indicated a pathophysiological role of CatA in cardiac hypertrophy and progression of a candidate into phase I clinical trials ." . "Sanofi cathepsin A inhibitor." . "Lisinopril-tryptophan (LisW-S), an analogue of the ACE inhibitor lisinopril, is highly selective for the C-domain corresponding to 631-1232. Note there is a crystal structure for the ligand in 2X95 but in the Drosophila, not the human enzyme." . "N-domain selective ACE inhibitor. This N-section corresponds to 30-630" . "Selective dual Inhibitor of the cancer-related deubiquitylating proteases USP7 (Q93009) and USP47 (Q96K76) ." . "PL37 is an investigational, orally available, dual pro-drug inhibitor of neprilysin (a.k.a. neutral endopeptidase or NEP; MME) and aminopeptidase N (APN; ANPEP) . NEP and APN are enkephalin catabolising enzymes (or enkephalinases). Dual ENKephalinase inhibitors such as this one have been ascribed the acronym DENK inhibitor (or DENKi).
PL37 is the non-stereo enantiomer of compound 15 in patent US8247609 . Such dual inhibitors are suggested as a novel mechanism for the control of central and peripheral pain , via inhibition of enzymatic degradation of endogenous enkephalins. Such agents could replace the use of opiate analgesics." . "This peptide is a mesotrypsin (PRSS3) inhibitor based upon the BPTI (bovine pancreatic trypsin inhibitor aka ) scaffold with P1 (Lys15 to Arg) and P2′ (Arg17 to Gly) modifications . PRSS3 is an atypical isoform of trypsin. Its up-regulation may promote tumour progression. Hence, PRSS3 inhibitors are being investigated as anti-cancer agents." . "USP1/UAF1 deubiquitinase inhibitor with anticancer activity" . "The drug used as cyclopenthiazide is a racemic mixture of (R)- and (S)-stereoisomers (PubChem CIDs 6604279 and 40463616 respectively)." . "KU-60019 is an inhibitor that can be used as a tool compound to study the activity of the atypical protein kinase ATM. Known off-target inhibition has been determined for the β, γ and δ PI3 kinases." . "Xipamide is a sulfonamide diuretic." . "Dapoxetine hydrochloride (PubChem CID 71352) is the component used in marketed formulations." . "Uprosertib (GSK-2141795) is an inhibitor of the AKT family of protein kinases ." . "Poziotinib is an orally bioavailable, clinically active, quinazoline-based pan epidermal growth factor receptor (EGFR or HER) inhibitor with antineoplastic activity . It is a potent inhibitor of the most common EGFR and HER2 exon 20 insertion mutants that are predominantly activating in nature, and resistant to exisitng reversible and irreversible EGFR tyrosine kinase inhibitors ." . "VE-821 is an inhibitor of the atypical protein kinase ATR." . "SR9009 is an estrogen receptor β agonist ." . "Sargramostim is recombinant human GM-CSF, produced in E.coli. Compared to the endogenous peptide sargramostim has a Arg>Leu substitution at residue 23." . "Bafetinib is a second-generation, dual Lyn/Abl kinase inhibitor with therapeutic.potential for the treatment of -resistant or -intolerant B-cell chronic lymphocytic leukemia (CLL), and prostate cancer. Data indicate that bafetinib crosses the blood-brain-barrier, reaching therapeutic concentration, so the drug's potential for treatment of brain tumours is also under investigation.

Note that we have mapped the chemical structure using the updated CAS registry number stipulated in INN proposed list 101 (2009) to the CID specified here, but the name maps to four other CIDs in PubChem." . "7-hydroxystaurosporine is a cell-permeable derivative, with anticancer activity . It reversibly and ATP-competitively inhibits multiple protein kinases, including PKCα, β, γ, δ and ε , Chk1 , Cdc25C-associated protein kinase 1 (cTAK1) , Cdk1 , PAK4, Cdk5/p25, Chk2 , PDK1 , Lck , p38 MAPK kinase 2 (MAPK14) , Akt, GSK-3β and PKA ." . "Encorafenib (LGX-818) is an orally available BRAF kinase inhibitor with antineoplastic activity." . "Compound 30 is an inhibitor of the monocarboxylate transporter MCT1 (SLC16A1) with favourable drug-like properties and in vitro antiinflammatory activity ." . "Gandotinib (LY2784544) is a potent ATP-competitive and selective JAK2 inhibitor , with potential clinical value for its ability to inhibit the constitutive activity of the JAK2V617F mutation found in myeloproliferative neoplasms (MPNs)." . "Defactinib (VS-6063) is an orally bioavailable, second generation, small-molecule focal adhesion kinase (FAK) inhibitor with potential antiangiogenic and antineoplastic activities . Phase 1 clinical trial results show that Defactinib is well tolerated and exhibits some clinical efficacy in patients (albeit in only two reported subjects) with advanced solid tumours ." . "HNHA is a novel histone deacetylase (HDAC) inhibitor with potential anti-tumour and anti-liver fibrosis activity ." . "LCL161 is a SMAC mimetic which acts as an inhibitor of IAPs (inhibitor of apoptosis proteins), binding predominantly to their BIR3 domain . Use the following hyperlinks to view protein sequences for XIAP BIR3 and cIAP1 BIR3 provided by UniProt.org." . "PFI-3 is a selective chemical probe for SMARCA bromodomains, including SMARCA2, SMARCA4 and PB1(5) (PBRM1) bromodomains. PFI-3 is one of the compounds contained in the Structural Genomics Consortium's Epigenetics Probes Collection. It's discovery, selectivity profile and pharmacological characterization is reported in ." . "Santacruzamate A is a cytotoxin, isolated from a cyanobacterium resembling the genus Symploca. Chemically, it has structural features in similarity with the clinically approved histone deacetylase (HDAC) inhibitor (aka SAHA), and like vorinostat, acts as a potent and selective HDAC inhibitor . It exhibits selectivity for the type I HDAC, HDAC2 compared to type II HDACs." . "ESI-09 is a selective noncyclic nucleotide antagonist which can be used as a pharmacological probe of EPAC (exchange protein directly activated by cAMP) function ." . "Onvansertib (NMS-P937) is an orally available, selective polo-like kinase 1 (PLK1) inhibitor. Its discovery is described in , where it is compound 7g." . "GNE-9605 is a highly potent and selective leucine-rich repeat kinase 2 (LRRK2) inhibitor . The compound is able to cross the blood-brain barrier identifying it as a potential lead in developing a novel disease-modifying Parkinson’s disease therapy." . "BI-97C1 is a pan-active inhibitor of antiapoptotic B-cell lymphoma/leukemia-2 (Bcl-2) family proteins. Its discovery is described in , where it is compound 11. It is a derivative/analogue of ." . "AZ13102909 is an inhibitor of the atypical IκB kinase TANK-binding kinase 1 (TBK1) ." . "Binimetinib is a potent non-ATP competitive inhibitor of MEK1/2 kinase activity (link directly to abstract 794 online here)." . "Human serum conjugate form of NmU-25. This peptide conjugate consists of human and human serum albumin. The sequence of serum albumin can be found on the UniProt entry for this protein." . "Derivative of NmU-C-terminal heptapeptide, selective NMU1 agonist." . "Derivative of NmU-C-terminal heptapeptide, selective NMU2 agonist." . "PEGylated form of human NmU-25." . "RTI-118 is a small molecule antagonist of the neuropeptide S (NPS) receptor ." . "ELA signals via the apelin receptor to mediate endoderm differentiation and embryonic heart morphogenesis, and is present prior to the expression of apelin, making this the earliest ligand recognised by the apelin receptor . More recently (Apr 2017) the activity as an endogenous agonist of the Apelin APJ receptor in the adult cardiovascular system was demonstracted ." . "This is the mouse homologue of human ." . "ZSTK474 is a novel orally bioavailable inhibitor of phosphoinositide 3-kinase (PI3K) that strongly inhibits cancer cell proliferation ." . "Amuvatinib is an orally bioavailable, multitargeted receptor tyrosine kinase inhibitor. Some bioactivity data may be associated with the hydrochloride salt (PubChem CID 67254077)." . "Sapanisertib (INK128) is an ATP-competitive inhibitor of mTOR in mTORC1 and mTORC2 complexes, that exhibits potent anti-tumour activity ." . "Riviciclib is a flavone based cyclin dependent kinase (CDK) inhibitor with potential antineoplastic activity ." . "Mirdametinib (PD 0325901) is a selective and non ATP-competitive MEK inhibitor ." . "PF-04691502 is an ATP-competitive dual PI3K/mTOR inhibitor. The discovery and structure of PF-04691502 is reported in . PubChem CID 25033539 shows the chemical structure without stereochemistry." . "Danusertib is a small-molecule Aurora kinase inhibitor with potential antineoplastic activity. Its discovery is reported in where it is compound 9d." . "Milciclib is an orally bioavailable inhibitor of cyclin-dependent kinases (CDKs) and neurotrophic tyrosine kinase, receptor, type 1 (aka TRKA) . It is compound 28 in Brasca et al (2009) . Milciclib exhibits a notable level of promiscuity across the CDKs ." . "GSK2256098 is a small molecule focal adhesion kinase (FAK) inhibitor with potential antiangiogenic and antineoplastic activity ." . "Gedatolisib is an orally bioavailable small molecule inhibitor of phosphatidylinositol 3 kinase (PI3K) and mammalian target of rapamycin (mTOR) with potential antineoplastic activity ." . "Torin 1 is a potent inhibitor of mTOR in both mTOR containing protein complexes, mTORC1 and mTORC2. The discovery of torin 1 is described in , where it is compound 37." . "Sonolisib is a small-molecule inhibitor of the alpha, gamma, and delta isoforms of phosphoinositide 3-kinase (PI3K) with potential antineoplastic activity . It is compound 4 in Zask et al. (2008) ." . "Refametinib (BAY-869766) is a potent and selective, allosteric inhibitor of MEK1/2 with potential antineoplastic activity . This compound is available via AstraZeneca's openinnovation toolbox resource, which indicates that refametinib is associated with a risk of fetal toxicity." . "The discovery and synthesis of MK-8776 (a.k.a. SCH 900776) is described in , where it is compound 9b. In the article by Guzi et al (2011) , the compound is shown with an (R) stereo center (see PubChem CID 46239015), whereas it is shown with no stereochemistry by Labroli et al (2011). MK-8776 is primarily an inhibitor of checkpoint kinase 1 (CHK1), with minimal inhibitory activity on cyclin dependent kinase 2 (CDK2)." . "Tesevatinib (XL-647) is an orally bioavailable small-molecule receptor tyrosine kinase (RTK) inhibitor with broad spectrum activity againt EGFRs and VEGFRs , and which has pre-clinical antineoplastic potential . The two CAS numbers associated with this compound (781613-23-8 and 651031-01-5) indicate a third chiral centre, however the structure shown here does not specify stereochemistry at this point." . "OSU-03012 is a potent inhibitor of recombinant 3-phosphoinositide dependent protein kinase 1 (PDK1). Its discovery is described in , where it is compound 34. The PDK1/Akt signaling pathway plays a key role in cancer cell growth, survival, and tumour angiogenesis and represents a promising target for oncology therapeutics ." . "MK-2206 is an orally bioavailable allosteric inhibitor of the serine/threonine protein kinase Akt (protein kinase B) with potential antineoplastic activity ." . "The discovery of sotrastaurin is described in . The compound is a a potent and selective pan-PKC inhibitor." . "Volasertib is an ATP-competitive, investigational inhibitor of polo-like kinase 1 (PLK1). It is the second in a novel class of drugs called dihydropteridinone derivatives . This compound is represented on PubChem by CID 10461508. This CID varies slightly in its chiral specification from our ligand entry. Our structure was drawn from the image submitted to the WHO for the INN (note that the long chemical name provided for the INN registration is not sufficient to resolve absolute stereochemistry as depicted in the accompanying image). Some bioactivity may be linked to the trihydrochloride salt form." . "Tivantinib is an allosteric inhibitor of c-MET kinase (hepatocyte growth factor receptor), with antineoplastic potential ." . "KH-CB19 is an inhibitor of dual specificity CDC-like kinase 1 (CLK1) . It was a preclinical lead compound." . "AT-9283 is a potent Janus kinase 2 and 3 (JAK2/3) and Aurora kinase inhibitor . It is compound 16 in Howard et al. (2009) , PubChem CID 11496629 shows the tautomer as drawn in . CHEMBL495727 also represents a tautomeric alternative structure for AT-9283." . "Dactolisib is an orally bioavailable dual PI3K/mTOR inhibitor with potential antineoplastic activity. It inhibits all of the PI3K isoforms and in addition, it effectively targets ATR with IC50 of 21 nM in cells .

COVID-19: Dactolisib (as RTB101) is being evaluated as post-exposure prophylaxis for SARS-CoV-2 infection." . "BGT-226 is a novel pan class I PI3K and mTOR inhibitor . The oral formulation of BGT-226 contains its maleate salt (PubChem CID 57336745)." . "BMS-754807 is an orally bioavailable antagonist of human insulin-like growth factor type I receptor (IGF-1R) with potential antineoplastic activity. Its discovery is described in Wittman et al. (2009) , where it is compound 9d." . "SCH772984 is an experimental inhibitor of the mitogen-activated protein kinases ERK1 and ERK2 . The in vitro mechanism of action of SCH772984 is notable, in that it inhibits both the catalytic activity of ERK1/2 and also inhibits phosphorylation of ERK1/2. This is in contrast to other ERK inhibitors that target the ATP-binding site and thus inhibit only the catalytic activity of the kinases. The dual action of compounds like SCH772984 is predicted to block the nuclear localization of pERK and more completely suppress MAPK pathway signaling . This type of inhibitor may provide improved clinical efficacy, particularly in relation to the emergence of acquired resistance that occurs in BRAF and MEK inhibitor-treated cancers. Unfortunately, SCH772984 is not active in vivo (oral or intraperitoneal administration results in poor exposure levels) ." . "BMS-777607is a selective and orally bioavailable MET tyrosine kinase (hepatocyte growth factor receptor) inhibitor with potential antineoplastic activity. Its discovery is described by Schroeder et al. (2009) where it is compound 10. It also has significant activity against other receptor tyrosine kinases, with details presented in the Biological activity tab.." . "BMS-911543 is an orally available ATP-competitive inhibitor of Janus kinase 2 (JAK2) with potential antineoplastic activity. Its discovery is described by Purandare et al. (2012) ." . "Alpelisib is an orally bioavailable phosphatidylinositol 3-kinase (PI3K) inhibitor that exhibits antineoplastic activity. It is selective for the α isoform (PIK3CA). It was the first PIK3CA inhibitor to be approved for the treatment of breast cancer." . "Golvatinib is an orally bioavailable dual kinase inhibitor of c-Met (hepatocyte growth factor receptor) and VEGFR2 (vascular endothelial growth factor receptor-2) tyrosine kinases with potential antineoplastic activity . It is the first kinase inhibitor with this dual action." . "CoPP is reported as an antagonist of the estrogen receptor β . The PubChem identifier for protoporphyrin IX is CID 4971. This is a very similar structure to iron-bound , but with the ferrous ion replaced by a cobalt ion." . "Tirbanibulin (KX2-391) is an orally bioavailable small molecule with a dual mode of action. It is a Src kinase inhibitor with potential antiproliferative activity and an inhibitor of tubulin polymerization .
Synthesis of KX2-391 is described in US patent US20060160800 , where it is compound 134." . "LY2090314 is a potent inhibitor of glycogen synthase kinase-3 (GSK3) . The discovery of LY2090314 is described by Engler et al. (2004) where it is compound 12." . "Ralimetinib is a potent and selective, ATP-competitive inhibitor of p38 MAPK α and β (MAPK14 and MAPK11 respectively) . The compound is delivered orally as the dimesylate salt (PubChem CID 11570805). It is compound 40 in Mader et al. (2008) .

SARS-CoV-2: p38 MAPK activity has been reported to be upregulated following SARS-CoV-2 infection of host cells in vitro. Ralimetinib produces an antiviral effect with an IC50 of 873 nM ." . "Rabusertib is an inhibitor of the cell cycle checkpoint kinase 1 (CHK1) with potential chemopotentiating activity . It is the first selective CHK1 inhibitor to enter clinical cancer trials" . "CP-673451 is an investigational, selective inhibitor of PDGFRα and PDGFRβ ." . "ME-344 is an active metabolite of NV-128 , a novel flavonoid small molecule inhibitor of the mammalian target of rapamycin (mTOR)." . "MK-2461 is a novel ATP-competitive inhibitor of mutant activated c-Met and also exhibits significant inhibitory activities against fibroblast growth factor receptor (FGFR), platelet-derived growth factor receptor, and other receptor tyrosine kinases ." . "Pilaralisib is an orally bioavailable small molecule inhibitor of the class I phosphatidylinositol 3 kinase (PI3K) family of lipid kinases, with potential antineoplastic activity ." . "Voxtalisib is an orally bioavailable small molecule inhibitor of phosphatidylinositol 3 kinase (PI3K) and mammalian target of rapamycin (mTOR) kinases in the PI3K/mTOR signaling pathway, with potential antineoplastic activity ." . "LY2109761 is an investigational, selective inhibitor of TGFβ receptors type 1 and 2 (TGFBR1 and TGFBR2) ." . "Rociletinib is an orally bioavailable small molecule, irreversible inhibitor of epidermal growth factor receptor (EGFR) with potential antineoplastic activity . This compound was designed to selectively target both the initial activating EGFR mutations and the T790M resistance mutation which confers acquired tumour resistance to first-generation inhibitors such as and .

Third-generation mutant EGFR inhibitors like rociletinib are being developed to circumvent dose-limiting WT EGFR-driven toxicities such as gastrointestinal toxicity and rash. The progress being made in developing advanced generation EGFR inhibitors is discussed by Yu and Riely (2013) and Ou and Soo (2015) ." . "GSK2636771 is a potent, orally bioavailable, PI3Kβ-selective inhibitor, with anticancer effects in PTEN null cells ." . "BMS908662 is an orally active, small molecule B-RAF inhibitor with potential antineoplastic activity." . "AKN-028 is an orally bioavailable protein tyrosine kinase inhibitor for FMS-related tyrosine kinase 3 (FLT3) and stem cell factor receptor (SCFR; KIT), that was developed for potential antineoplastic activity . The compound inhibits wild-type and mutant FLT3 and KIT kinases." . "BIBF-1202 is the major metabolite of , produced by methyl ester cleavage ." . "Depatuxizumab mafodotin (ABT-414) is an antibody-drug conjugate (ADC), which targets a unique tumour-specific EGFR epitope in some cancer cells . The antibody portion recognises EGFR in glioblastoma cells with EGFR gene amplification or expressing the truncated Δ2-7 EGFR mutant (aka EGFRvIII) . The antibody is linked to the cytotoxic agent, monomethyl auristatin F (MMAF; PubChem CID 56841603) (information derived from Phillips et al. (2013) and Abbvie's webpage for oncology pipeline compounds and references therein ." . "XL019 is a selective inhibitor of Janus kinase 2 (JAK2) ." . "WP1066 is a novel inhibitor of STAT3 and JAK2 . It is orally bioavailable, and has demonstrated antineoplastic and immunomodulatory activities in vitro and in vivo . WP1066 has also been reported as a channel blocker at the KV1.3 voltage-gated potassium channel (KCNA3) that preferentially interacts with open channels .
An analogue of WP1066, WP1220 (structure undisclosed, Nov. 2022), is another clinical lead STAT3 inhibitor. WP1220 is in development for topical application as a therapy for the dermatological condition mycosis fungoides, the most common type of cutaneous T-cell lymphoma (CTCL)." . "XL388 is a highly potent, selective, ATP-competitive inhibitor of mTOR. Its discovery is described in , where it is compound 28." . "Zotarolimus (ABT-578) is an analogue of rapamycin (). This compound was developed to be used in intravascular stents designed to elute anti-proliferative agent for the prevention of coronary restenosis." . "This is an INSL3 peptide structure with truncated A and B chains [A(5-26):B(7-27)] . It retains comparable activity to the endogenous peptide." . "Dinutuximab is a chimeric mouse/human monoclonal antibody targeting ganglioside-GD2.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record.
A patent search identifies US20140170155 as the applicable patent. US20140170155 reveals APN311 as a formulation of the mouse-human chimeric anti-GD2 antibody ch14.18 recombinantly produced in Chinese hamster ovary (CHO) cells. Efficacy of the preferred antibody was determined by its cytolysis capacity in GD2-expressing cells, as determined by a complement dependent cytolysis assay." . "Mitumomab (BEC2) is an anti-idiotypic monoclonal antibody that mimics GD3 ganglioside and is being tested as a vaccination therapy in oncology." . "Lintuzumab is a monoclonal antibody directed against CD33, a surface antigen found on myeloid leukemia cells. A modified version of lintuzumab that is conjugated with the chelator satetraxetan to facilitate actinium (225Ac) radiolabelling (a radioimmunotherapeutic) has been developed (see Patent US6670456 and IMGT/mAb-db ID 936). 225Ac emits α particles and is used as these cause less nonspecific cytotoxicity than β particles (i.e. decreased killing of bystander cells). 225Ac has been termed a 'nano-generator' as for each decay producing a high-energy α particle, a series of daughter atoms generate additional α particles, effectively amplifying the radioactive dose at the target site. Lintuzumab is a humanized version of the murine anti-CD33 antibody, M195 ." . "Edrecolomab is directed against epithelial cell adhesion molecule (EPCAM; UniProt accession P16422)." . "This 11 amino acid peptide is reported to inhibit furin and other furin-like proprotein convertases ." . "Durvalumab is a monoclonal antibody directed against programmed death-1 ligand-1 (PD-L1, aka CD274), an important immunopharmacological drug discovery target in immuno-oncology.
Peptide sequence and structural information for this antibody are available from its IMGT/mAb-db record. A patent search suggests that the development and use of durvalumab may be covered by patent WO2011066389 , although we cannot verify this by peptide sequence matches as no sequences from this patent are pulled in a protein BLAST with the light or heavy variable regions of durvalumab peptide sequences. An X-ray crystal structure of the PD-L1/durvalumab complex has been submitted to the RCSB PDB (accession 5X8M) ." . "Rilotumumab is a monoclonal antibody directed against hepatocyte growth factor (HGF), developed as a treatment for solid tumours.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record. Peptide sequence BLAST search using the heavy and light chain variable regions of rilotumumab provides 100% matches to sequences covered by patent US8609090 , and to the antibody with designation 2.12.1." . "Girentuximab is a monoclonal antibody directed against carbonic anhydrase 9 (CA9) .
Peptide sequence and structural information for this antibody are available from its IMGT/mAb-db record." . "Nimotuzumab is a monoclonal antibody directed agianst the epidermal growth factor receptor (EGFR), being developed as an antineoplastic agent.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record. Peptide sequence analysis using the light chain variable region of nimotuzumab provides a 100% match with sequence 35 from patent US6506883 .

Biosimilar drug: Biocon Limited are developing BIOMAb-EGFRTM as a nimotuzumab biosimilar" . "Compound 14 is one of the analogues designed in the search for novel, biologically active LIM domain kinase 2 (LIMK2) inhibitors ." . "Sirukumab is a monoclonal antibody directed against interleukin 6 (IL-6), in development as an immunomodulator for the treatment of rheumatoid arthritis (RA). It is also being tested as an immunopsychiatry therapy to treat depression.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record. Peptide sequence BLAST search using the heavy chain variable region of sirukumab provides100% match to a sequence claimed in patent US7560112 , and to the antibody with designation AME-19a." . "Atezolizumab (MPDL3280A) is a monoclonal antibody directed against programmed death-1 ligand-1 (PD-L1, aka CD274), an important immunopharmacological drug discovery target in immuno-oncology.
Peptide sequence and structural information for this antibody are available from its IMGT/mAb-db record. Peptide sequence analysis using the light chain variable region of atezolizumab provides a 100% match to sequence 21 from patent US8217149. An X-ray crystal structure of the PD-L1/atezolizumab complex has been submitted to the RCSB PDB (accession 5X8L) ." . "This ligand is referred to as compound 2 in the reference Dreyer et al., 1991 , for which no PMID is available." . "Inebilizumab is a humanized monoclonal antibody (mAb) directed against CD19, a cell-surface antigen expressed on cells of B cell lineage. Inebilizumab has potential immunomodulating and antineoplastic activities. Tested preclinically as a mouse anti-CD19 mAb (clone HB12; ), and initially humanized by Cellective Therapeutics, Inc. (a spinout company from Duke University where the antibody began its life) prior to being acquired by MedImmune (now part of Astra Zeneca) for commercial development.

Peptide sequence and structural information for this antibody are available from its IMGT/mAb-db record. A protein BLAST search of patented sequences reveals 100% matches between the heavy and light variable sequences of inebilizumab and sequences 106 and 111 respectively, in patent US8323653 B2 . A detailed peptide sequence analysis suggests that inebilizumab is likely to be clone 16C4 in this patent." . "This ligand is referred to as compound 3 in the reference , for which no PMID is available. It is an HMG-CoA reductase inhibitor." . "This ligand is referred to as analog 3 in the reference , which has no available PMID." . "Racotumomab is an anti-idiotype therapeutic cancer vaccine directed against the ganglioside N-glycolil (NGc) GM3 , which has been identified on the cell surface of malignant cells from lung and breast tumours , melanoma , and neuroectodermal pediatric tumours . Racotumomab is being investigated for its antineoplastic activity.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "Close analogue of ." . "SQ-109 is a [1,2]-diamine-based ethambutol analogue included in the Medicines for Malaria Pandemic Response Box (MMV PRB). Functionally, it inhibits Mycobacterial membrane protein large 3 (MmpL3) and has advanced to clinical evaluation for the treatment of tuberculosis .

The compound also has antimalarial activity. The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Guselkumab is a monoclonal antibody directed against interleukin-23A (IL23A). It is being investigated as a treatment for plaque psoriasis.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "Sarilumab is a monoclonal antibody directed against the interleukin 6 receptor (IL6R).
Peptide sequence and structural information for this antibody are available from its IMGT/mAb-db record. Peptide sequence BLAST search using the heavy and light chain variable regions of sarilumab provides 100% matches to sequences covered by patent US7582298 , and to the antibody with designation VQ8F11-21." . "Tabalumab is a monoclonal antibody directed against B-cell activating factor (BAFF, TNFSF13B). It was being developed as a treatment for autoimmune diseases and B cell malignancies .
Peptide sequence and structural information for this antibody are available from its IMGT/mAb-db record. Peptide sequence BLAST search using the heavy chain variable region of tabalumab provides 100% match to a sequence claimed in patent US7317089 , and to the antibody with designation 4A5-3.1.1-B4." . "Tralokinumab is a monoclonal antibody directed against interleukin 13 (IL-13), a cytokine secreted by T helper cells, and which is a central mediator of the physiological changes induced by allergic inflammatory reactions Binding affinity of tralokinumab was optimised (aka affinity maturation) using an in vitro ribosome display technology .
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "Bavituximab is the first monoclonal antibody directed against phosphatidylserine, and is being investigated as a antineoplastic agent. Bavituximab belongs to an emerging class of antibodies known as vascular targeting agents (VTAs) which bind selectively to antigens present on tumour vascular cells. Typical VTAs either recruit host effector cells to destroy the tumour or are coupled to agents such as toxins, anticoagulants or pro-apoptotic drugs that occlude or destroy tumour blood vessels .
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "Berzosertib (VE-822) is a potent and selective inhibitor of the serine/threonine kinase ATR . The structure of VE-822 is claimed in patent US20130089626 . VE-822 is under investigated for its potential antineoplastic action ." . "Potent OXE receptor antagonist. May be a useful anti‐inflammatory agent for the treatment of eosinophilic diseases such as asthma, allergic rhinitis, and atopic dermatitis." . "BX-795 is a potent, ATP-competitive inhibitor of 3-phosphoinositide dependent protein kinase 1 (PDK1). The discovery of BX-795 is described in and is claimed in patent WO2004048343 . The PDK1/Akt signaling pathway plays a key role in cancer cell growth, survival, and tumour angiogenesis and represents a promising target for oncology therapeutics. BX-795 has subsequently been discovered to inhibit other kinases, such as TANK-binding kinase 1 (TBK1) and IkappaB kinase epsilon (IKKε) ." . "BX-912 is a potent, ATP-competitive and specific inhibitor of 3-phosphoinositide dependent protein kinase 1 (PDK1). The discovery of BX-912 is described in and is covered by patent WO2004048343 . The PDK1/Akt signaling pathway plays a key role in cancer cell growth, survival, and tumour angiogenesis and represents a promising target for oncology therapeutics ." . "GSK2334470 is a novel 3-phosphoinositide dependent protein kinase 1 (PDK1) inhibitor. Its discovery is described in , where it is compound 28d.
The PDK1/Akt signaling pathway plays a key role in cancer cell growth, survival, and tumour angiogenesis and represents a promising target for oncology therapeutics ." . "PHT-427 is a novel dual inhibitor of 3-phosphoinositide dependent protein kinase 1 (PDK1) and Akt (protein kinase B) . The original identification of PHT-427 (compound 14) as an Akt inhibitor is described in where it is shown to bind to the pleckstrin homology (PH) domain of Akt, not to the catalytic ATP binding site. PDK1 activates Akt by phosphorylating Thr308 in Akt's kinase domain.
The PDK1/Akt signaling pathway plays a key role in cancer cell growth, survival, and tumour angiogenesis and represents a promising target for oncology therapeutics ." . "Laduviglusib (CHIR-99021) is an ATP-competitive inhibitor of glycogen synthase kinase-3α and β (GSK-3α/β), equipotent at both isozymes . The chemical structure of CHIR-99021 matches that submitted to the WHO for the INN laduviglusib. GSK-3β has been implicated in multiple human disorders, by influencing a number of significant cellular pathways (including insulin signalling and glycogen synthesis, neurotrophic factor signalling, Wnt signalling, neurotransmitter signalling and microtubule dynamics) . CHIR-99021 acts as a functional Wnt pathway activator .
Zaki syndrome, a rare disorder of embryonic organ development in humans, can arise due to homozygous mutations in the Wnt ligand secretion mediator gene (WLS) . CHIR-99021 has been used in a mouse model of Zaki syndrome to demonstrate that activation of Wnt pathway signalling can partially restore embryonic development ." . "NU-7441 is a potent and selective, ATP-competitive inhibitor of DNA-dependent protein kinase (DNA-PK) . It is compound 22g in Leahy et al. (2004) ." . "KU-0060648 is a dual inhibitor of DNA dependent protein kinase (DNA-PK) and the phosphatidylinositol-4,5-bisphosphate 3-kinase (PI3K) α, β and δ subunits. This compound is an analogue of with improved solubility and potency, and additional activity against PI3Ks . This is compound 39 in Cano et al. (2013) ." . "The discovery of PIK-75 is described by Hayakawa et al. (2007) , where it is compound 8c." . "PP121 is a multi-targeted kinase inhibitor, discovery of which is described in , where it is compound 6. It is designed to target tyrosine kinases and phosphatidylinositol-3 kinases (PI3Ks), a set of interconnected oncogenes, that are of intense interest as molecular targets in the drug discovery process." . "SB 216763 is a potent and selective inhibitor of glycogen synthase kinase 3 (GSK-3), equipotent at GSK-3α and GSK-3β isozymes . The compound is an investigational tool which may be used to help clarify the role played by GSK-3 in cellular signalling." . "CHIR-98014 is a potent ATP-competitive inhibitor of glycogen synthase kinase-3α (GSK-3α) and GSK-3β ." . "IM-12 is a selective inhibitor of glycogen synthase kinase-3β (GSK-3β) ." . "1-azakenpaullone is a potent and selective ATP-competitive inhibitor of glycogen synthase kinase-3β (GSK-3β) . In contrast to other paullones, this analogue has insignificant activity at the phylogenetically related cyclin-dependent kinases (CDKs) CDK1 and CDK5. 1-azakenpaullone is compound 16 in ." . "SB-415286 is a potent glycogen synthase kinase-3 (GSK-3) inhibitor which is equipotent at the α and β isozymes ." . "This compound is as allosteric inhibitor of oncogenic KRASG12C ." . "This compound is a selective allosteric inhibitor of oncogenic KRASG12C ." . "This compound is a selective allosteric inhibitor of oncogenic KRASG12C ." . "This compound exists in the trifluoroacetic acid form (PubChem CID 86208069). 6H05 is a selective allosteric inhibitor of oncogenic KRASG12C . 6H05 was used as the reference compound in the development of , and ." . "Lonafarnib is an orally bioavailable molecule which inhibits farnesyl protein transferase, an enzyme that is responsible for catalysing the transfer of a 15-carbon isoprenoid group to a variety of cellular proteins including RAS ." . "ZnPP is reported as an antagonist of the estrogen receptor β . The PubChem identifier for protoporphyrin IX is CID 4971. This is a very similar structure to iron bound heme, but with the ferrous ion replaced by a zinc ion." . "Tipifarnib is a non-peptidomimetic competitive farnesyltransferase inhibitor (FTI) ." . "BMS-214662 is a non-peptidomimetic competitive farnesyltransferase inhibitor (FTI) ." . "AZD3409 is an an orally active double prodrug, peptidomimetic type farnesyltransferase inhibitor (FTI). It is a double prodrug in that it has its thiol and carboxylate groups blocked to reduce toxicity." . "The discovery of LB42908 is described in , where it is compound 2. LB42908 is a highly potent, selective, and non-peptidic farnesyltransferase inhibitor (FTI). LB42908 does not appear to have progressed beyond preclinical investigation." . "CCG-203920 (formerly RGS4 inhibitor 13) is a potent small molecule inhibitor of regulator of G-protein signaling protein 4 (RGS4) " . "LB42708 is a highly potent, selective, and non-peptidic farnesyltransferase inhibitor (FTI). It has a similar chemical structure to ." . "The discovery of L-739,750 is described in . L-739,750 is a peptidomimetic farnesyltransferase inhibitor (FTI). Experimentally the compound is administered as a methyl ester prodrug (L-739,749) ." . "Pemtumomab is a monoclonal antibody directed against a specific antigenic epitope (PDTR sequence in the MUC1 tandem repeat ) of the mucin 1 (MUC1) expressed by several types of secretory epithelial-derived cancers . MUC1 is a large, heavily glycosylated mucin. It is expressed on the apical surface of the most secretory epithelial cells and an antigenically distinct form of MUC1 is overexpressed in 90% of adenocarcinomas, including cancers of the ovary, breast, and pancreas. This means that antibodies can be targeted to cancerous cells , sparing normal tissue. Pemtumomab is labelled with the radioisotope yttrium-90.
This antibody does not appear to have an INN (international non-proprietary name), and no peptide sequences are available." . "Amifampridine is a potassium channel blocker." . "This compound is a potent small molecule inhibitor of regulator of G-protein signaling protein 4 (RGS4) ." . "PF-477736 is an inhibitor that can be used as a tool compound to study the activity of the CAMK family protein kinase CHK1. Secondary, off-targets include VEGFR2, FMS and YES protein kinases." . "CCT241533 is a Type-1 inhibitor of the protein kinase CHK2 . This compound has been assessed in preclinical investigations." . "PF-3644022 is an experimental inhibitor of the protein kinase, mitogen-activated protein kinase-activated protein kinase 2 (MAPKAPK2) . It is orally bioavailable and was tested in preclinical studies." . "OTSSP167 is an orally available inhibitor of the protein kinase, maternal embryonic leucine zipper kinase (MELK) . This inhibitor has multiple off-targets." . "WZ4003 is a selective inhibitor of the AMP-activated protein kinases, NUAK1 and NUAK2 .
N.B. compare to which is selective for NUAK1. HTH-01-015 and WZ4003 can be used as chemical probes to delineate the biological roles of the NUAK kinases." . "CRT 0066101 is a potent and selective protein kinase D inhibitor . It was tested in preclinical studies. The structure represented here was drawn from . PubChem CID 76844479 represents an alternative tautomer of this compound." . "Fluorobexarotene is a retinoid X receptor agonist ." . "HG-9-91-01 is an inhibitor of the calcium/calmodulin-dependent protein kinases (CAMKs), salt-inducible kinases 1, 2 and 3 (SIK1-3) ." . "PF-4800567 is an inhibitor of the casein kinase, CK1ε . It was a preclinical lead compound." . "BMS-265246 is a potent and selective inhibitor of the cyclin-dependent kinases, CDK1 and CDK2 , It is 25-fold selective for CDKs 1 and 2 over CDK4. BMS-265246 was a preclinical lead compound." . "THZ1 is a covalent inhibitor of the cyclin-dependent kinase, CDK7 . The compound achieves CDK7 specificity by targeting a remote cysteine residue located outside of the canonical kinase domain. It was a preclinical lead compound.

CDK7 inhibition by THZ1 has been demonstrated to overcome tumour resistance (primary or acquired) to smoothened inhibitor drugs (such as , and ), principally via suppressed synthesis of two core transcription factors belonging to the hedgehog pathway (the glioma-associated oncogenes GLI1 and GLI2) . This effect was detected in vitro and in vivo.
CDK7 inhibition has been shown to overcome resistance to HER2-targeted inhibitors in HER2 +ve breast cancer cells and in xenograft models ." . "NVP-2 is one of the compounds claimed in patent WO2011012661 . NVP-2 is an inhibitor of the cyclin-dependent kinase CDK9. It was a preclinical lead compound.
PubChem CID 77201406 represents the compound without stereochemistry, and PubChem CID 66937006 has stereochemistry specified at only one of the chiral centers." . "PF-06447475 has been identified as a potent, brain-pentrant inhibitor of the serine-threonine kinase, leucine-rich repeat kinase 2 (LRRK2) . The compound does not have favourable pharmacokinetic properties to progress clinical development, but it is a useful tool for the investigation of central and peripheral LRRK2 function." . "XMD8-92 is an investigational inhibitor of the mitogen-activated protein kinase, ERK5 (mitogen-activated protein kinase 7, aka BMK1) . It was tested in preclinical studies." . "JNK-IN-8 is an inhibitor of the mitogen-activated protein kinases, JNK1, 2 and 3 . It was tested in preclinical studies." . "AZD6482 is an inhibitor of phosphatidylinositol-3 kinase activity with selectivity for the β isozyme ." . "AMG-900 is a potent and selective pan-aurora kinase inhibitor ." . "MK-5108 is a potent and selective inhibitor of Aurora kinase A (AURKA) ." . "MRT67307 is a non-selective inhibitor of TANK-binding kinase 1 (TBK1) with utility for the study of the roles played by IKKs and IKK-related kinases in the regulation of the type I interferon response in innate immunity." . "BIX02188 is an investigational inhibitor of the STE7 family kinase, mitogen-activated protein kinase kinase 5 (MAP2K5) . This compound can be used as a pharmacological tool to help elucidate the role of the MEK5/ERK5 pathway in biological systems. BIX02188 is a closely related, marginally less potent, analogue of . Both compounds have a similar selectivity profile. BIX02188 was tested in preclinical studies." . "GNF-5 is an investigational selective and allosteric BCR-ABL inhibitor . GNF-5 is a pharmacokinetically optimised analogue of GNF-2 (PubChem CID 5311510) ." . "CGI1746 is a potent and highly selective small-molecule inhibitor of the Tec family kinase, Bruton agammaglobulinemia tyrosine kinase (BTK) . It was a preclinical lead compound." . "NVP-AEW541 is a potent and selective inhibitor of the receptor tyrosine kinase, insulin-like growth factor I receptor (IGF1R) . It was tested in preclinical studies." . "WH-4-023 is an investigational inhibitor of the kinases LCK proto-oncogene, Src family tyrosine kinase (Lck) and SRC proto-oncogene, non-receptor tyrosine kinase (Src) . It is compound 28 in , where it is reported to be potent and orally active in preclinical models." . "PA452 is a retinoid X receptor (RXR) antagonist . The compound causes the dissociation of RXR tetramers." . "P505-15 is an investigational, potent and selective inhibitor of spleen tyrosine kinase (Syk) . This is a tool compound suitable for analysis of the role played by Syk in modulating immune function in human diseases.
The compound may be used as the hydrochloride salt." . "GNF-5837 is an investigational, selective, and orally bioavailable inhibitor of the neurotrophic receptor tyrosine kinases TrkA, TrkB and TrkC . This compound is a useful tool for the investigation of TRK biology in human diseases." . "GW5074 is a potent and selective inhibitor of Raf-1 proto-oncogene, serine/threonine kinase RAF1 (aka c-Raf) in vitro . It was tested in preclinical studies." . "GNE-7915 is a highly potent, selective, and brain-penetrating inhibitor of leucine-rich repeat kinase 2 (LRRK2) . It was tested in preclinical studies." . "NG-25 is an experimental inhibitor of several protein kinease, including mitogen-activated protein kinase kinase kinase 7 (TAK1, aka TGF-β-activated kinase 1), but it is not selective. Results from a screening set are provided by Tan et al (2015) ." . "CD2314 is a potent and selective retinoic acid receptor β (RARβ) agonist ." . "MSC2032964A is a hit compound identified in . MSC2032964A is an inhibitor of mitogen-activated protein kinase kinase kinase 5 (MAP3K5, aka ASK1). It was tested in preclinical studies." . "5Z-7-oxozeaenol is a cell-permeable fungal resorcylic lactone. 5Z-7-oxozeaenol acts as a selective and potent inhibitor of mitogen-activated protein kinase kinase kinase 7 (TAK1). This compound binds covalently/irreversibly and inhibits both the ATPase and kinase activity of TAK1 ." . "Peptide sequences for this antibody are available from its IMGT/mAb-DB entry.
This antibody is the subject of patent US7807155 ." . "HX 531 is an antagonist of retinoid X receptors . Antagonism is generally assessed as the ability of HX 531 to inhibit agonist-induced transactivation of the retinoid X receptors." . "This is an experimental inhibitor of IRAK4 discovered by high throughput screening ." . "This is an experimental inhibitor of IRAK4 discovered by high throughput screening ." . "Compound 25 is an analogue designed in a medicinal chemistry study to identify novel Aurora kinase inhibitors . The compound is selective for AuroraA/B versus other tested kinase proteins. It dose-dependently inhibits xenograft tumour growth and has good oral availability in model species ." . "ND-2110 is a potent and selective experimental inhibitor of IRAK4 described in patent WO2013106535 and in a poster presented at the American College of Rheumatology meeting in 2012 (Abstract #1062 in Supplement: Abstracts of the American College of Rheumatology & Association of Rheumatology Health Professionals, Annual Scientific Meeting, November 9-4, 2012 Washington DC, Volume 64, Issue S10, Page S1-S1216).
PubChem CID 68115559 represents this molecule with specified stereochemisrty at only one of the chiral centers." . "ND-2158 is a potent and selective experimental inhibitor of IRAK4 described in patent WO2013106535 and in a poster presented at the American College of Rheumatology meeting in 2012 (Abstract #1062 in Supplement: Abstracts of the American College of Rheumatology & Association of Rheumatology Health Professionals, Annual Scientific Meeting, November 9-4, 2012 Washington DC, Volume 64, Issue S10, Page S1-S1216).
PubChem CID 86343751 represents this molecule with alternative stereochemisrty." . "Development of this compound is covered in patent WO2012007375 . It is a potent IRAK4 inhibitor." . "This compound is a potent and somewhat selective inhibitor of IRAK4, described in patent WO2012007375 ." . "Bimagrumab is an investigational monoclonal antibody designed to treat the pathological muscle loss and weakness caused by the inflammatory muscle depleting disease, sporadic inclusion body myositis (sIBM)." . "Compound 9b is a potent and selective, orally available cyclin-dependent kinase 2 (CDK2) inhibitor . Compound 9b is 50-60 times selective for CDK2 compared to CDKs 1 and 4, has potent anti-proliferative activity and favourable pharmacokinetics." . "This antibody is conjugated to tetraxetan () which acts as a chelating agent for the radioisotope yttrium 90. This antibody conjugate is a radioimmunotherapy agent designed for the treatment of pancreatic cancer ." . "Epratuzumab is a humanized monoclonal antibody. It is derived from the murine IG2a monoclonal antibody, LL2 (EPB-2). Epratuzumab has antineoplastic and antiinflammatory actions .
The antibody can be conjugated with tetraxetan () which allows chelation of radionucleotides such as yttrium-90 ." . "Bermekimab (MABp1, Xilonix) is an investigational fully human monoclonal antibody targeting IL-1α, with potential antiinflammatory action. This antibody is the first genuinely human monoclonal antibody to be produced directly from an affinity matured, human immune response. As MABp1 has not been subject to in vitro sequence modification it is predicted to have improved tolerability compared to antibodies that are 'humanised'.
A patent search suggests that Xilonix is the subject of WO2009148575 ." . "Necitumumab is a monoclonal antibody with clinical antineoplastic action .
Peptide sequence and structural information for this antibody are available from its IMGT/mAb-db record." . "BAY-598 is an inhibitor of the lysine methyltransferase SMYD2 . Developed in a collaboration between Bayer and the Structural Genomics Consortium, the compound is available from the SGC's epigenetic probes set." . "Reslizumab is a monoclonal antibody with antiinflammatory action. It is designed to treat eosinophil-driven inflammatory conditions of the airways, skin and gastrointestinal tract ." . "Romosozumab is a humanised anti-sclerostin monoclonal antibody that was developed by Amgen and UCB for the treatment of osteoporosis . Amgen holds patent protection claiming the polypeptide composition of romosozumab in the US and the EU (expected expiry in 2026)." . "Tildrakizumab is a monoclonal antibody directed against the p19 subunit of IL-23 (IL-23A). It exhibits efficacy in treating psoriasis . This biologic agent may be beneficial for patients who do not tolerate current antitumour necrosis factor (TNF) therapies." . "AG14361 is a potent experimental inhibitor of poly (ADP-ribose) polymerase 1 (PARP1) . Its discovery is described in , where it is compound 22." . "The design and synthesis of AC710 is described in , where it is compound 22b. AC710 is reported as an inhibitor of platelet-derived growth factor receptor (PDGFR) family receptor tyrosine kinases (RTKs). The compound has favourable pharmacodynamics and pharmacokinetics, and is active against mouse xenograft tumours and in a collagen-induced arthritis (CIA) model ." . "Tasquinimod is an orally active allosteric inhibitor of HDAC4 . It has antiangiogenic effects." . "AGK2 is a selective sirtuin 2 (SIRT2) inhibitor . The sirtuins are members of the histone deacetylase family.
The SIRT histone deacetylases have been implicated in a wide range of cellular processes including stress resistance, metabolism, differentiation, and aging ." . "Selisistat is a selective inhibitor of sirtuin 1 (SIRT1) catalytic activity . SIRT1 is an enzyme which deacetylates the p53 tumor suppressor protein and may modulate p53-dependent functions such as DNA damage-induced cell death.
The SIRT histone deacetylases have been implicated in a wide range of cellular processes including stress resistance, metabolism, differentiation, and aging ." . "Splitomicin is a selective inhibitor of the yeast NAD+-dependent histone deacetylase Sir2 protein . Splitomicin has been used as a tool to elucidate the role of Sir2 in vivo . The human homologue of Sir2 is SIRT1.
The SIRT histone deacetylases have been implicated in a wide range of cellular processes including stress resistance, metabolism, differentiation, and aging ." . "Compound 16 is reported as a potent mitogen-activated protein kinase-activated protein kinase 2 (MK2) inhibitor ." . "Remodelin is a reported to be an inhibitor of acetyl-transferase NAT10 (Q9H0A0) and gets its name from its ability to restore nuclear morphology in lamin A-depleted cells." . "MI-3 inhibits the interaction between MLL oncoproteins (re-arranged lysine (K)-specific methyltransferases) and the tumour suppressor protein menin (MEN1, O00255) . MI-3 represents a novel molecular mechanism with potential application in the treatment of aggressive leukemias with MLL rearrangements." . "LY2874455 is a potent ATP-competitive inhibitor of FGF receptors and VEGFR2 ." . "UMI-77 is a selective MCL1 (Q07820) inhibitor ." . "URMC-099 is an orally bioavailable, brain penetrant inhibitor of mixed lineage kinase 3 (MLK3) and leucine-rich repeat kinase 2 (LRRK2) . URMC-099 is being investigated as a lead compound with a novel mechanism of action for the treatment of Parkinson's disease and HIV-1 associated neurocognitive disorders (HAND)." . "The discovery of vactosertib (EW-7197) is reported in where it is compound 12b. EW-7197 acts as in inhibitor of transforming growth factor beta receptor 1B (TGFβR1; ALK5) and activin A receptor type IB (ACVR1B; ALK4). The compound is potent, selective, and orally bioavailable, and exhibits experimental anti-tumour activity." . "G-749 is a novel and potent inhibitor of wild type and mutant Fms-like tyrosine receptor kinase 3 (FLT3) . We matched its chemical structure to the INN 'denfivontinib' that was released in the WHO's proposed INN list 127 (21 July 2022)." . "This BUB1 (BUB1 mitotic checkpoint serine/threonine kinase) inhibitor compound was developed as a potential antineoplastic and was granted patent protection in 2013 ." . "This BUB1 (BUB1 mitotic checkpoint serine/threonine kinase) inhibitor compound was developed as a potential antineoplastic and was granted patent protection in 2013 ." . "This BUB1 (BUB1 mitotic checkpoint serine/threonine kinase) inhibitor compound was developed as a potential antineoplastic and was granted patent protection in 2013 ." . "This BUB1 (BUB1 mitotic checkpoint serine/threonine kinase) inhibitor compound was developed as a potential antineoplastic and was granted patent protection in 2013 ." . "Compound 20 is a L-tryptophan conjugate of lithocholic acid. It was developed as a non-peptide pharmacological tool for the study of ephrin (Eph) receptor activity. Compound 20 inhibits all ephrin (Eph) receptors tested, with a slight EphA preference . This suggests a common binding site across the EphA and EphB receptor families ." . "XL413 was developed as a selective inhibitor of cell division cycle 7 (CDC7) and was investigated for its antineoplastic effects." . "Compound 89S is a lead compound identified as a cell division cycle 7 (CDC7) inhibitor . The article reporting its discovery provides details of a large series of small molecules, several more of which potently inhibit CDC7 ." . "Compound 2 was originally reported as a PIM1 kinase inhibitor, and was used as a scaffold for the design of CDC7 inhibitors described in .
PubChem CID 6747541 represents an alternative tautomer of this chemical structure." . "Compound 22 was a lead reported as the result of a compound screen for inhibitors of the protein kinase integrin-linked kinase (ILK) ." . "Compound 31 was designed as an inhibitor of the LIM domain kinases LIMK1 and LIMK2 ." . "Compound 30 was designed as an inhibitor of the LIM domain kinases LIMK1 and LIMK2 " . "Compound 35 was designed as an inhibitor of the LIM domain kinases LIMK1 and LIMK2 . Compound 35 exhibits selectivity for the LIMs over the testis-specific protein kinases (TESKs) ." . "The discovery of compound 13d is reported in , a medicinal chemistry study to identify selective bone morphogenetic protein receptor (BMP) inhibitors. Compound 13d inhibits all of the Type I receptor serine/threonine kinases to a greater or lesser extent, but is most potent at ALK1 (ACVRL1) and ALK2 (ACVR1) which are activin receptor components, and ALK3 (BMPR1A) and ALK6 (BMPR1B) which are bone morphogenetic protein receptors." . "ML347 is a selective inhibitor of ALK2 (activin A receptor, type I, ACVR1) compared to ALK3 (bone morphogenetic protein receptor, type IA , BMPR1A) ." . "Compound 25 is a checkpoint kinase 1 (CHK1) inhibitor. Its discovery is reported in and this article provides screening results across a large kinase panel." . "Compound 1d is a moderately selective JAK2 inhibitor ." . "Compound 12 is a p38α (MAPK14) inhibitor ." . "Compound 46 is a non-peptidic antagonist of the neuropeptide FF1 receptor . It has low binding affinity for opioid receptors." . "Silmitasertib (CX-4945) is a a potent and selective inhibitor of CK2 (casein kinase 2) . CX-4945 is described in the same article as and .

SARS-CoV-2
Silmitasertib, via inhibition of CK2, was found to produce an in vitro antiviral effect (IC50 = 2.34 μM;) . In conjunction with data supporting a physical interaction and co-localization of CK2 with SARS-CoV-2 N protein, and evidence of potential role of CK2 in remodeling extracellular matrix upon infection , it can be hypothesised that the CK2 pathway is hijacked by SARS-CoV-2. Thus, it makes pharmacological sense that silmitasertib should be considered for investigation as an anti-SARS-CoV-2 therapeutic." . "Compound 3b is a derivative of the marine sponge extract Leucettine L41 . The modification adds four amino-polyethylene glycol linkers to facilitate immobilisation of the compound for screening assays. Leucettines are potent inhibitors of DYRKs (dual-specificity, tyrosine phosphorylation regulated kinases) and CLKs (cdc2-like kinases)." . "Compound 1a was developed as a casein kinase 2 (CK2) inhibitor ." . "Compound 34 is a potent inhibitor of the protein kinase ERN1 (endoplasmic reticulum to nucleus signaling 1) . ERN1 is also known as IRE1, and is an endoplasmic reticulum stress sensor which signals to the nucleus in response to abnormal levels of unfolded proteins. Compound 34 inhibits the RNAse domain of the protein, like other salicylaldehyde-containing molecules." . "SB-747651A is a potent inhibitor of ribosomal protein S6 kinase, polypeptide 5 (RPS6KA5), also known as MSK1 . This compound has selectivity over glycogen synthase 3 (GSK3) and ribosomal protein S6 kinase, polypeptide 1 (aka RSK1)." . "Compound 24 is a potent inhibitor of ribosomal protein S6 kinase, polypeptide 5 (RPS6KA5), also known as MSK1 . This compound has selectivity over glycogen synthase 3 (GSK3) and ribosomal protein S6 kinase, polypeptide 1 (aka RSK1)." . "Compound 2 is representative analog developed in a medicinal chemistry study to optimise inhibition of LCK proto-oncogene, Src family tyrosine kinase (Lck) ." . "Compound 8e it was tested in a medicinal chemistry study to identify small molecule inhibitors of mutated anaplastic lymphoma kinase (Alk) which confer crizotinib resistance ." . "Compound 2c is one of the analogues identified by a medicinal chemistry approach to identify neurotrophic tyrosine kinase, receptor, type 1 (TrkA) inhibitors ." . "Compound 25b is a potent and selective, orally available inhibitor of anaplastic lymphoma receptor tyrosine kinase (ALK) ." . "Compound 2c is a potent inhibitor of the alpha prime (α'; gene symbol CSNK2A2) subunit of casein kinase 2 (CK2) . The compound is four times more potent at CK2α' compared to CK2α as assessed by subunit-induced inhibition of phosphorylation of a synthetic peptide substrate ." . "Compound 3 is one of the analogues assessed in the search for PKCζ selective inhibitors . Compound 3 is equipotent against PKCζ and CDK2 kinase activities .
PubChem CID 91623358 represents an alternative tautomer of this chemical structure." . "Compound 66 is reported as a potent ephrin receptor inhibitor designed as part of a structure-based optimisation study . Compound 66 inhibits all ephrin receptors except EphA7 (1118nM) with low nanomolar IC50s (1-40nM) . Modelling suggests that EphA7 is an outlier as it has a bulky isoleucine residue at its gatekeeper position, compared to a smaller threonine in this position in all of the other ephrin receptors." . "Balanol is a fungal metabolite which acts as a non-selective ATP-competitive inhibitor of protein kinases A, G and C (AGC family kinases) . Balanol is also reported to inhibit G protein-coupled receptor kinases (GRKs), with modest selectivity for the GRK2 family members, GRK2 and GRK3 ." . "Compound 1o was designed and tested in a study to identify selective inhibitors of G protein-coupled receptor kinases, GRK2 and GRK5 ." . "Compound 13r is one of the analogues assessed in a study to identify selective inhibitors of bone morphogenetic protein receptor isotypes ." . "This is compound 72, an invention covered by patent WO2013026806 . Compound 72 is a highly potent dual DYRK1A/1B inhibitor (DYRK = dual-specificity tyrosine-regulated kinase)." . "Compound 38 is an analogue assessed in a study to design covalent irreversible inhibitors of Bruton's tyrosine kinase (Btk) ." . "Compound 23 is one of the analogues assessed in a study to find novel inhibitors of LCK proto-oncogene (Lck) kinase activity ." . "Compound 24 targets wild yype and mutant Abl kinases ." . "Compound 31 is a novel 2,5-diaminopyrimidin based analogue repoted as an irreversible inhibitor of Bruton’s tyrosine kinase (Btk) . The selectivity profile of this compound differs from that of , the first irreversible Btk inhibitor discovered." . "Compound 2 is an analogue tested in a medicinal chemistry study to identify novel, irreversible inhibitors of NIMA-related kinase 2 (Nek2), a centrosome-associated serine/threonine kinase with a role in kinesin-5-driven bipolar spindle assembly ." . "GSK579289A is an anlaogue assessed in a medicinal chemistry study to identify novel thiophene type inhibitors of polo-like kinase 1 (PLK1) ." . "RKI-1447 is a pyridylthiazole-based urea analogue designed in the search for novel and biologically active Rho-associated protein kinase inhibitors ." . "Compound 22m is one of the analogues designed in the search for novel, biologically active LIM domain kinase 2 (LIMK2) inhibitors ." . "Compound 14 is one of the analogues assessed using structure-based design to identify novel and selective CK1γ Inhibitors ." . "The discovery of compound 13a is reported in , a medicinal chemistry study to identify selective bone morphogenetic protein receptor (BMP) inhibitors. Compound 13a inhibits the majority of Type I receptor serine/threonine kinases to a greater or lesser extent, but is most potent at ALK1 (ACVRL1) and ALK2 (ACVR1) which are activin receptor components, and ALK3 (BMPR1A) and ALK6 (BMPR1B) which are bone morphogenetic protein receptors. Compound 13a has its most potent inhibitory effect on TGFBR2 and VEGFR2, with approximately 25 times lower potency against BMPR2 and AMPK, where reported IC50s are more akin to those at the Type I receptor serine/threonine kinases ." . "Compound 20 is an analogue developed on a 7,8-dichloro-1-oxo-β-carboline scaffold in a study to identify kinase inhibitors with novel binding modes ." . "Compound 15b is a potent inhibitor of calcium/calmodulin-dependent protein kinase II delta (CAMK2D) reported in ." . "Compound 27 is a potent inhibitor of calcium/calmodulin-dependent protein kinase II delta (CAMK2D) reported in ." . "This is an INSL5 analogue that has a simplified A-chain connected to the B-chain by two disulfide bonds . Its A-chain peptide sequence is hINSL5: A8-21 (T15K)." . "Compound 17 is one analogue of a medicinal chemistry set designed to identify novel small-molecule inhibitors of the cdc2-like (CLK) and dual specificity tyrosine phosphorylation-regulated (DYRK) kinases . This set of analogues also includes ." . "ML315 is a biochemical tool compound identified in the same medicinal chemistry set as , where it is compound 35. ML315 has inhibitory activity against the CLK and DYRK kinase families." . "Compound 33 is a small molecule analogue designed and assessed for inhibitory activity against mitogen activated protein kinase-activated protein kinase 2 (MK2) ." . "Compound 7k is a small molecule identified in a medicinal chemistry study to identify orally available inhibitors of discoidin domain receptor 1 (DDR1) kinase ." . "Compound 68 is a small molecule reported as a novel, potent inhibitor of the dual-specificity tyrosine-phosphorylation regulated kinases 1A and 1B ." . "Compound 19a is a derivative identified in a medicinal chemistry study as a potent inhibitor of the Src family kinase, protein tyrosine kinase 6 (PTK6, aka Brk) ." . "Leucettine L41 is a synthetic analogue of the marine sponge derived compound leucettine B . The leucettines act as inhibitors of two families of serine/threonine kinases; dual-specificity, tyrosine phosphorylation-regulated kinases (DYRKs), and cdc2-like kinases (CLKs), which are involved in Alzheimer’sdisease/Down syndrome and in the control of alternative pre-mRNA splicing." . "Compound 27 is the first reported inhibitor of heme-regulated eukaryotic initiation factor 2α kinase activity (aka HRI; gene symbol EIF2AK1) ." . "Compound A127 is an invention covered by patent WO2013110309 . The compound is reported as an inhibitor of the serine kinase GCN2 (gene symbol EIF2AK4) , a kinase involved in the regulation of protein synthesis via phosphorylation of the alpha subunit of eukaryotic translation initiation factor-2 (EIF2α) in response to glucose deprivation. The GCN2-EIF2α-ATF4 pathway is essential for maintaining metabolic homeostasis in tumour cells . Components of this pathway, such as GCN2, are therefore novel targets for the development of anticancer therapeutics." . "Compound 8h is reported as an inhibitor of wild type BCR-Abl and its gatekeeper mutant T315I ." . "Compound 5b is one of the analogues designed in a medicinal chemistry study to identify inhibitors of casein kinase 2 (CK2) ." . "Compound 7 is reported as a potent inhibitor of IL2-inducible T-cell kinase (ITK) activity . This compound was designed using a combination of structure-based design and medicinal chemistry." . "CEP-1347 is a semi-synthetic analogue of the natural alkaloid . CEP-1347 was originally identified as a pan-mixed lineage kinase (MLK) family inhibitor . In this setting it inhibits downstream c-jun N-terminal kinase (JNK) activation and has neuroprotective activity ." . "Compound 31 is reported as an inhibitor of NF-κB-inducing kinase (NIK) discovered using a combination of structure-based design and medicinal chemistry ." . "Compound 8h is reported to be a potent inhibitor of several receptor tyrosine kinases, including VEGFRs 1-3, PDGFR, and FGFR1, as well the Src family kinases Src and Yes and the serine threonine kinases MAP4K3 and Rsk2 ." . "BS-194 is reported as a potent, orally available inhibitor of cyclin-dependent protein kinases (CDKs) 1, 2, 7 and 9 ." . "Compound 16 is reported as a novel, potent and selective inhibitor of mitogen-activated protein kinase-activated protein kinase 2 (MK-2) ." . "A radiolabelled analogue of the food-derived tripeptide Leu-Lys-Pro, that was use to demonstrate PEPT1-mediated transport of IPP across the small intestinal epithelium ." . "PF-03715455 (aka compound 1ab) is reported as a potent p38 MAP kinase inhibitor . The compound was investigated for clinical efficacy as a potential inhalation therapy for chronic obstructive pulmonary disease (COPD)." . "Compound 31 is a derivative designed to aid the identification of structural elements of the binding pocket of NIMA-related kinase 2 (NEK2) which determine selectivity of inhibitor binding ." . "Compound 1 was used as the starting molecular structure for the design and development of AKT (protein kinase B) inhibitors with improved drug-like properties and kinase selectivity ." . "Flibanserin is reported as a serotonin 5-HT1A agonist and 5-HT2A antagonist . The compound was originally investigated as a antidepressant ." . "PD166285 was originally reported as a tyrosine kinase inhibitor , and has subsequently been identified as an inhibitor of Wee1 and Myt1 (PKMYT1) , two cyclin-dependent kinase (CDK) inhibitory kinases involved in regulating the cell cycle." . "Compound 32 was identified as a Rho kinase 2 (ROCK2) inhibitor ." . "Compound 21 is a derivative synthesised and assessed in a medicinal chemistry study to identify potent small molecule inhibitors of receptor (TNFRSF)-interacting serine-threonine kinase 1 (RIPK1) ." . "Compound 13 is a derivative assessed in a medicinal chemistry study to identify novel selective inhibitors of SRSF protein kinase 1 (SRPK1) ." . "CEP-11981 is reported as a novel oncology therapeutic agent targeting the pro-angiogenic actions of receptor tyrosine kinases such as the VEGFRs, FGFR1 and TIE-2 ." . "Compound 1 was identified as a potent inhibitor of serine/threonine kinase 33 (STK33) in a high-throughput screen of a compound library ." . "Compound 18 was identified in a medicinal chemistry study to identify novel inhibitors of cell division cycle 7 (Cdc7) kinase ." . "Compound 5 was reported in a medicinal chemistry article describing the search for potent and selective inhibitors of TRAF2 and NCK interacting kinase (TNIK) ." . "PWT1-NPS is a tetrabranched derivative of human (hNPS), which is suitable for in vitro and in vivo investigations . Its structure consists of a chemical core linking 4 hNPS peptides. PWT stands for peptide welding technology (see patent WO2014161926 for further details )." . "Compound 30 was designed and assessed in a medicinal chemistry/structure-activity study to identify potent and selective inhibitors of the Src family tyrosine kinase, Lck ." . "Compound 15b was desigend and assessed in a medicinal chemistry study to identify selective inhibitors of transforming growth factor-beta type I receptor kinase (TGFβR1) ." . "Compound 8 is one of the analogues assessed in a medicinal chemistry study to identify orally bioavailable, brain penetrant inhibitors of mixed lineage kinase 3 (MLK3) ." . "Compound 17d is an analogue assessed in a medicinal chemistry study to find novel, potent inhibitors of the TANK-binding kinase 1 (TBK1) and IKK-epsilon (IKKε) kinases ." . "Compound 11d is an analogue assessed in a medicinal chemistry study to identify novel inhibitors of Rho kinase 2 (ROCK2) ." . "Saridegib is an orally active inhibitor of the hedgehog signalling pathway, acting as an antagonist of the class frizzled GPCR, smoothened (SMO) ." . "Compound 27 is reported in a medicinal chemistry study to identify novel c-MET (hepatocyte growth factor receptor) inhibitors ." . "Sonidegib (INN formerly erismodegib, but replaced in 2012) is an orally active inhibitor of the hedgehog signalling pathway, acting as an antagonist of the class frizzled GPCR, smoothened (SMO) .
The first hedgehog pathway inhibitor to be approved was (2012)." . "TAK-441 is an inhibitor of the hedgehog signalling pathway, acting as an antagonist of the class frizzled GPCR, smoothened (SMO) ." . "Glasdegib is a potent and orally active inhibitor of the hedgehog signalling pathway, that acts as an antagonist of the class frizzled GPCR, smoothened (SMO) ." . "BMS-833923 is a high affinity antagonist of the class frizzled GPCR, smoothened (SMO) . BMS-833923 is compound 163 in patent US8222263 ." . "Ro-0505124 is a potent and selective ATP-competitive inhibitor of cyclin-dependent kinase 4 (CDK4) . Ro-0505124 is >100 fold selective for CDK4 compared to CDKs 1 and -2 ." . "Compound 77 is one of the analogues assessed in as a potential cell division cycle 7 (cdc7) inhibitor." . "Compound 1 is one of the analogues assessed in as a potential cell division cycle 7 (cdc7) inhibitor." . "A-443654 is an ATP-competitive inhibitor of all three Akt (protein kinase B) subtypes , but causes paradixical hyperphosphorylation of two regulatory amino acid residues (Thr308 and Ser473) of the Akt protein . A-443654 exhibits modest selectivity for Akt, compared to other AGC family kinases, such as PKA and PKC ." . "Compound 22 is reported in as a potent inhibitor of Rho kinases 1 and 2 (ROCK1 and ROCK2)." . "Compound 5m is reported in as an inhibitor of anaplastic lymphoma receptor tyrosine kinase (ALK)." . "Compound 5g is reported in as a novel inhibitor of anaplastic lymphoma receptor tyrosine kinase (ALK)." . "Compound 5n is reported in as a novel inhibitor anaplastic lymphoma receptor tyrosine kinase (ALK)." . "Compound 35 is reported in as a novel inhibitor of Rho kinases." . "TLR2/6 agonist; induces TNFα production." . "Compound 4g is an alkoxy derivative of compound 4a and was reported in a medicinal chemistry/structure aided design study to identify improved inhibitors of interleukin-2 inducible T-cell kinase (ITK)." . "Compound 66 is reported in , a medicinal chemistry/structure-based design study to identify improved inhibitors of BRAFV600E." . "Compound R-16 is reported in , a study to improve oral availability of 2,4-diaminopyrimidine c-Met (hepatocyte growth factor receptor) inhibitors." . "Compound 14k was identified as a potent dual inhibitor of Pim1 and Pim2 ." . "CCT244747 is reported as checkpoint kinase 1 (CHK1)-selective tool compound suitable for in vitro and in vivo pharmacological studies ," . "SB-431542 is reported as an ATP-competitive inhibitor of a group of related activin receptor-like kinases; ALK5 (TGFBR1) , ALK4 (ACVR1B) and ALK7 (ACVR1C) , which belong to the type I receptor serine/threonine kinase family. SB-431542 acts as a selective inhibitor of endogenous activin and TGFβ signalling but has no effect on bone morphogenetic protein signalling through the more divergent ALKs of the type I receptor serine/threonine kinase family." . "Compound 15 is the lead compound identified in a medicinal chemistry study to identify orally available anaplastic lymphoma kinase (ALK) inhibitors with antitumor activity ." . "Epacadostat (INCB024360) is an orally bioavailable, potent, small molecule inhibitor of indoleamine-2,3-dioxygenase 1 (IDO1) , with therapeutic potential in immunodeficiency-associated abnormalities, including cancer." . "β-carboline is a harmane type compound which acts as an inhibitor of indoleamine 2,3-dioxygenase 1 (IDO1) ." . "Tryptanthrin acts as an inhibitor of indoleamine 2,3-dioxygenase 1 (IDO1) . Tryptanthrin is found in plants used in traditional Chinese medicine (Persicaria tinctorium and Isatis tinctoria)." . "1-methyl-L-tryptophan was identified as an inhibitor of indoleamine 2,3-dioxygenase 1 (IDO1) in the 1990s, but it has a very low potency ." . "Indoximod is being investigated for its inhibitory action towards indoleamine 2,3-dioxygenase 1 (IDO1), a L-tryptophan degrading enzyme." . "Amg-1 is reported as a reversible inhibitor of indoleamine 2,3-dioxygenase 1 (IDO1) ." . "MCC950 has been reported as a potent, selective and direct inhibitor of the NLRP3 inflammasome . The compound binds directly at a motif within the NLRP3 protein's NACHT domain and blocks its activation and inflammasome formation which ultimately reduces cleavage of IL-1β and IL-18 from their latent forms. It offers a useful tool for examination of NLRP3 biology and its potential for therapeutic intervention. MCC950 has demonstrated anti-inflammatory actions in numerous in vivo models of human diseases and has been proposed as a therapeutic option for the treatment of NLRP3-associated diseases, including IL-1β/IL-18-driven inflammatory/autoinflammatory conditions and other diseases that have an inflammatory component such as atherosclerosis , type 2 diabetes, Alzheimer's and Parkinson's diseases , cancer and pathologic inflammation that is a result of viral infection ." . "IOX2 is a selective, cell permeable inhibitor of the hypoxia inducible factor (HIF) prolyl-hydroxylase protein PHD2. This is a compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection." . "IOX1 is a cell-permeable, broad-spectrum 2-oxoglutarate oxygenase inhibitor . This is a compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection." . "OICR-9429 was developed in a collaboration between the SGC (Structural Genomics Consortium) and The Drug Discovery Program at the Ontario Institute for Cancer Research (OICR). It can be used as a chemical probe for WDR5 activity, WDR5 being a component of several chromatin regulatory complexes including the MLL1 (mixed lineage leukemia 1) complex. OICR-9429 antagonises the interaction between WDR5 and MLL or Histone 3 binding domains. Click here to link to the SGC's full list of epigenetics probes." . "UNC1215 was delevoped in a collaboration between the SGC (Structural Genomics Consortium) and the Center for Integrative Chemical Biology and Drug Discovery (CICBDD) at The University of North Carolina. It is the first chemical probe for a Kme (methyl-lysine recognition domain)-binding protein. UNC1215 is reported to be a potent and selective modulator of the Kme reading function of L3MBTL3, a member of the malignant brain tumor (MBT) family of chromatin interacting transcriptional repressors . Click here to link to the SGC's full list of epigenetics probes." . "GSK2801 is reported by the Structural Genomics Consortium (SGC) to be a selective inhibitor of the ubiquitously expressed bromodomain containing proteins BAZ2A and BAZ2B . BAZ2A is essential for heterochromatin formation leading to transcriptional silencing of certain rRNAs . BAZ2B may be involved in regulating nucleosome mobilization by the ATP-dependent chromatin remodeling factor ISWI . Click here to link to the SGC's full list of epigenetics probes." . "Bromosporine is a broad spectrum inhibitor of bromodomain-containing proteins. This is contained in the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection." . "(R)-PFI-2 is a first-in-class, potent, selective, and cell-permeable inhibitor of the methyltransferase activity of human SETD7 . The S-enantiomer is 500-fold less potent. (R)-PFI-2 can be used as a chemical probe to resolve the diverse roles of SETD7 in cellular function, and may provide insight for the potential of methyltransferases as valid drug targets. This is a compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection." . "I-CBP112 is an inhibitor of the bromodomain-containing proteins CREB binding protein (CREBBP) and E1A binding protein p300 (EP300) and was developed by the Structural Genomics Consortium (SGC) . The bromodomains facilitate binding of these proteins to acetylated lysine residues on histones and other proteins , interactions which underlie the function of these two transctiptional co-activators in the control of DNA replication and repair, cell growth, transformation, and development .
Click here to link to the SGC's full list of epigenetics probes." . "UNC1999 is a cell-permeable chemical probe for histone H3-lysine 27 (H3K27) methyltransferase EZH2 activity, developed by the Structural Genomics Consortium (SGC) in collaboration with the Center for Integrative Chemical Biology and Drug Discovery (CICBDD) at the University of North Carolina .
Click here to link to the SGC's full list of epigenetics probes." . "A-366 is a chemical probe for the activity of the histone methyltransferases (HMTs) EHMT2 (G9a) and EHMT1 (GLP), developed by the Structural Genomics Consortium (SGC) in collaboration with Abbvie .
Click here to link to the SGC's full list of epigenetics probes." . "LLY-507 is a potent inhibitor of SMYD2 protein lysine methyltransferase activity, developed in a collaboration between the Structural Genomics Consortium (SGC) and Eli Lilly and Company .
Click here to link to the SGC's full list of epigenetics probes." . "GSK343 is a cell-permeable inhibitor of EZH2 histone H3 methyltransferase activity, developed by GlaxoSmithKline and included in the Structural Genomics Consortium's (SGCs) portfilio of epigenetic probe compounds .
Click here to link to the SGC's full list of epigenetics probes." . "GSK-LSD1 is a potent, selective and irreversible inhibitor of lysine specific demethylase 1 (LSD1; gene symbol KDM1A) . The compound was developed by GlaxoSmithKline and has been made available for inclusion in the portfolio of compounds held by the Structural Genomics Consortium (SGC) in their Epigenetics Probes Collection." . "PI-3065 is reported as a selective inhibitor of phosphatidylinositol 3-kinase (PI3K) δ . The compound is >70 fold selective for PI3Kδ compared to PI3Kβ, and has even higher selectivity compared to the δ and α isoforms. In a profile screening set of 72 kinases no significant off-targets were identified ." . "HS-173 (as compound 19c) is reported as a selective inhibitor of phosphatidylinositol 3-kinase (PI3K) α ." . "TGX-221 is reported as a selective inhibitor of phosphatidylinositol 3-kinase (PI3K) β ." . "LY2584702 is reported as an ATP competitive, selective inhibitor of the p70 ribosomal protein S6 kinase (p70S6K) . p70S6K is a downstream component of the PI3K/Akt/mTOR signalling pathway which regulates cell proliferation and survival. LY2584702 was originally developed as a potential oncology therapeutic, but the programme was terminated due to a lack of clinical efficacy. Subsequent study has discovered that LY2584702 produces effects that indicate potential efficacy as a therapy for dyslipidemia . In healthy dyslipidemic volunteers LY2584702 dose‐dependently and significantly reduced pasma low‐density lipoprotein cholesterol and triglycerides, whilst leaving high‐density lipoprotein cholesterol levels unchanged. However, metabolism of LY2584702 generates 4-aminopyrazolo[3,4-d]pyrimidine (4-APP; PubChem CID 75420), a compound which may contribute towards the adverse hepatotoxicity associated with LY2584702 exposure. Further determination of the anti-dyslipidemia potential of p70S6K inhibitors could be advanced by the development of non-4-APP forming compounds." . "RN486 is reported as a reversible, potent and selective inhibitor of Bruton agammaglobulinemia tyrosine kinase (BTK) ." . "BLZ945 is reported as an orally active, potent and selective inhibitor of colony stimulating factor 1 receptor (CSF1R) . It is also brain-penetrant. The compound was designed to deplete pro-tumorigenic tumour-associated macrophages (TAMs) in the tumour microenvironment , and has also been reported to inhibit osteoclast CSF1R activity which reduces skeletal related events in metastatic disease .
The chemical structure of BLZ945 matches that for the INN compound sotuletinib that was surfaced in WHO Proposed list 125." . "Labetuzumab is a humanised mouse monoclonal antibody targeting CEACAM5 (CD66e), a tumour marker that can be measured in serum.
Labetuzumab can be labelled with radioactive isotopes such as yttrium-90 and iodine-131, providing targeted radioimmumotherapy.
Labetuzumab has been used to generate an antibody-drug conjugate (ADC) called , in which the antibody is covalently bound to , the active metabolite of the topoisomerase inhibitor, ." . "Labetuzumab govitecan (research code IMMU-130) is an antibody-drug conjugate (ADC) in which the anti-CEACAM5 antibody labetuzumab, is covalently bound to , the active metabolite of the topoisomerase inhibitor (as exemplified in patents and )." . "IMMU-132 is an antibody-drug conjugate (ADC) with (the active metabolite of the topoisomerase inhibitor ) covalently linked to an anti-TROP-2 monoclonal antibody (see patent US8574575 ) . TROP-2 is a transmembrane glycoprotein, cell surface antigen which has oncogenic activity in cancers of epithelial origin , but expression is restricted in normal tissue. Directing SN-38 to cancer cells via TROP-2 binding is predicted to limit toxicity towards healthy tissue/cells." . "Ozanezumab is a humanised mouse monoclonal antibody targeting NOGO-A (reticulon-4, RTN4). This antibody is in GlaxoSmithKline's development pipeline of drugs for rare diseases, in this case amyotrophic lateral sclerosis (ALS aka motor neurone disease or MND) and was also investigated for multiple sclerosis (MS).
Although peptide sequences for ozanezumab are available, a BLAST search provided no exact matches with patented protein sequences" . "Dezamizumab (GSK2398852) is an anti-human serum amyloid P component (anti-SAP) monoclonal antibody, being developed by GlaxoSmithKline as a potential therapy for the rare disease amyloidosis." . "CPHPC is reported as a chemical which depletes the glycoprotein serum amyloid P component (SAP) in mice and humans . Intellectual property for the use of CPHPC has been licensed to GlaxoSmithKline who have coded the compound GSK2315698. Structurally, CPHPC is a simplified form of a dimer ." . "Citibrasine (an acridone alkaloid derivative extracted of the stem bark of Swinglea glutinosa) is reported as a substrate-competitive inhibitor of cathepsin V . Cathepsin V has been considered as a potential druggable molecular target because of the role that the enzyme plays in cancer progression." . "Sifalimumab is a monoclonal antibody targeting interferon α1 (IFNA1), that was developed by the MedImmune subsidiary of AstraZeneca as a treatment for systemic lupus erythematosus (SLE). Development of sifalimumab was terminated and MedImmune concentrated on their alternative anti-IFNα agent .
Peptide sequence and structural information for this antibody are available from its IMGT/mAb-db record. Sequence BLAST using the heavy and light chain variable regions of sifalimumab provides 100% matches to sequences patented with application US7741449 . The sequence matches identify sifalimumab as clone 13H5 in the patent." . "Anifrolumab is a monoclonal antibody targeting IFNAR1 (the receptor for α, β and ω interferons), that was developed by the MedImmune subsidiary of AstraZeneca as a treatment for systemic lupus erythematosus (SLE).
Peptide sequence and structural information for this antibody are available from its IMGT/mAb-db record. . Sequence BLAST using the heavy and light chain variable regions of anifrolumab provides 100% matches to sequences that are claimed in patent US7662381 . The sequence matches identify anifrolumab as clone 11E2 in the patent." . "CM-352 is an optimized matrix metalloproteinase (MMP) inhibitor which inhibits fibrinolysis, and represents a novel type of antihaemorrhagic agent .
PubChem CID 72720906 represents the molecule without the stereochemistry attributed in ." . "Avosentan is an endothelin A antagonist indicated for diabetic nephropathy. Speedel licensed SPP301 from Hoffmann-La Roche in 2000." . "Compound 48 is an 8-aminoadenosine derivative reported as a novel inhibitor of the human sodium/nucleoside cotransporter 2 (CNT2, gene symbol SLC28A2) . As 'Example 54' this compound is protected by patent US20070179115 ." . "S-isomer of DRF-1042 is a derivative of camptothecin, a natural quinoline alkaloid with cytotoxic effects, which acts to inhibit DNA topoisomerase I. This compound only contains the (S) stereoisomer, as described in patent US20110177161 . PubChem CID 23631031 represents the molecule with no specified stereochemistry at the 5 position.
Two camptothecin derivatives are already approved for clinical use: and ." . "Compound 6e is potent and selective endothelin receptor (ETA) antagonist. It has therapeutic potential in cardiovascular diseases ." . "PR1 nanopeptide is is a nonapeptide sequence found in human proteinase 3 (PRTN3) and ELA2 which is expressed as a leukemia-associated antigen . PR1 nanopeptide elicits potent binding to HLA-A2.1." . "Fresolimumab is a monoclonal antibody targeting all isoforms of transforming growth factor beta (TGF-β1, -β2 and -β3.).
Annotated peptide sequence information for this antibody is available from its IMGT/mAb-DB link.
BLAST peptide sequence analysis reveals patent US7723486 as the covering document for fresolimumab ." . "Abagovomab is an anti-idiotype monoclonal antibody. The antibody is designed to functionally mimic the epithelial ovarian cancer antigen CA-125 (aka mucin 16: MUC16, Q8WXI7) .
Peptide sequence and structural information for this antibody are available from its IMGT/mAb-db record." . "Inotuzumab ozogamicin is an antibody-drug conjugate (ADC) that targets delivery of the highly cytotoxic ozogamicin (a derivative of calicheamicin γ1) to CD22 (SIGLEC-2) +ve myeloid cells . The calicheamicin derivative is N-acetyl gamma calicheamicin dimethylhydrazide as reported by DiJoseph et al (2004) ." . "Milatuzumab is a humanized monoclonal antibody targeting CD74, a cell surface molecule which links the innate and adaptive immune responses by regulating the survival of macrophages and B cells. CD74 is also known as the invariant chain of major histocompatibility complex class II and acts as a receptor for macrophage migration inhibitory factor (MIF).
Milatuzumab may also be conjugated with doxorubicin creating the antibody-drug conjugate (ADC) hLL1-DOX (aka IMMU-110) .
Peptide sequence information for this antibody is available from its IMGT/mAb-DB link." . "Veltuzumab is a humanized monoclonal antibody targeting CD20. With the exeption of Asp101 in the complementarity-determining region 3 (CDR3) of the antibody's variable heavy chain, its CDRs are identical to . This single amino acid substitution appears to account for veltuzumab's reduced off-rate compared to rituximab as well as its enhanced capacity to induce antibody-dependent cellular cytotoxicity (ADCC), and complement-mediated cytotoxicity.
Peptide sequence information for this antibody is available from its IMGT/mAb-DB link." . "Oblimersen is an 18mer phosphorothioate DNA antisense oligonucleotide complementary to the first six codons of the open reading frame of Bcl-2 messenger RNA. The sequence is 5′-tct ccc agc gtg cgc cat-3′ ." . "Cenersen is a 20mer phosphorothioate antisense oligonucleotide complementary to a region of p53 messenger RNA . The oligonucleotide sequence is reported as 5′-d[P-Thio](ccctgctccc ccctggctcc)-3′ . This sequence matches nucleotides 1273-1292 of RefSeq nucleotide NM_000546 (Homo sapiens tumor protein p53 (TP53), transcript variant 1, mRNA)." . "Arimoclomol is an oral therapeutic candidate for the treatment of amyotrophic lateral sclerosis (ALS). Arimoclomol may be delivered as the citrate salt (BRX-345 with PubChem CID 72710735)" . "Forodesine is a picomolar inhibitor of purine nucleoside phosphorylase (PNP) .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Imexon is a cyclizised 2-cyanoaziridine compound being investigated as an antitumour agent . 2-cyanoaziridine compounds bind thiols such as cysteine, depleting them and allowing the accumulation of reactive oxygen species. This effect activates antioxidant gene expression, signifying induction of an oxidative stress response and leads to irreversible cell damage and apoptosis." . "This compound is a potent in vitro RET kinase inhibitor . It produces anti-tumour effects in RET-driven tumour xenografts." . "Mifamurtide is a synthetic analogue of the bacterial cell wall component, muramyl dipeptide (MDP). MDP stimulates the immune system via activation of microbial pattern recognition receptors such as TLR4 and NOD2 ." . "Niraparib is a novel orally available poly(ADP-ribose) polymerase (PARP) inhibitor ." . "Palovarotene is an orally bioavailable, retinoic acid receptor gamma (RAR-γ) agonist. This compound was originally investegated for its potential to repair alveolar damage in emphysema and COPD , but it failed to demonstrate significant clinical efficacy. Ipsen acquired palovarotene when it purchased Clementia Pharmaceuticals in 2019, and they repurposed palovarotene for potential to reduce heterotopic ossification in patients with fibrodysplasia ossificans progressiva (FOP) ." . "Mongersen (GED-0301) is a phosphorothioate single-stranded oligonucleotide matching the region 107-128 (5'-GCTGCGGGGAGAAGGGGCGAC-3') of the human Smad7 complementary DNA sequence. The antisense oligonucleotide sequence is (3'-5')d(P-thio)(G-T-m5C-G-C-C-C-C-T-T-C-T-C-C-C-m5C-G-C-A-G-C), where m5C represents 2'-deoxy-5-methyl-P-thiocytidylyl bases.
Mongersen was investigated as a treatment for Smad7-induced colitis associated with Crohn's disease and irritable bowel disease (IBD), but following failure to demonstrate efficacy in Phase 3 evaluation, development was terminated in late 2017." . "This compound is reported as an inhibitor of the serine protease activity of prostate-specific antigen (PSA, aka kallikrein-related peptidase 3) ." . "Plevitrexed is an orally bioavailable, small molecule, antifolate quinazoline derivative inhibitor of thymidylate synthetase with potential antineoplastic activity ." . "Talampanel is a non-competitive antagonist of the AMPA receptors, a family of ionotropic glutamate receptors of the central nervous system. The compound shows some selectivity for GluA1 and GluA2 over GluA3 and GluA4 ." . "Tirasemtiv acts as an activator of the fast skeletal muscle (type II) troponin complex . The compound is being investigated as a potential treatment for diseases and conditions associated with aging, muscle weakness and wasting or neuromuscular dysfunction (e.g. amyotrophic lateral sclerosis , myasthenia gravis and claudication ). In clinical trial tirasemtiv was not well tolerated, and this was likely a contributory factor to its lack of significant efficacy." . "Treosulfan is a DNA alkylating agent." . "PSB-10211 is a potent competitive antagonist of the P2X2 receptor .
We show the structure of the parent molecule. The sodium salt may be used experimentally (PubChem CID 53308118)." . "Note that the INN for this compound is for the carboxylic acid, whereas the compound used clinically is the isopropyl ester.
Unoprostone was originally developed as an intraocular pressure-reducing agent for use in glaucoma, however use for this indication has been discontinued. The focus is now on unoprostone's ability to treat retinal disease ." . "This compound is a particularly preferred example in patent US8664233 which covers compounds for use in treating non-solid malignant hematological tumours, in particular, B cell leukemias." . "CPP-115 is a analogue with improved tolerability compared to the parent compound ." . "S(+)-apomorphine a brain-penetrating activator of the activator of the nuclear erythroid 2-related-factor 2 (Nrf2)-ARE (antioxidant response element) pathway . This compound is a receptor-inactive enantiomer of the clinically approved dopamine-receptor agonist (R(-)-apomorphine)." . "Tramadol is a narcotic-like analgesic.
The marketed formulation of tramadol is a racemic mixture of enantiomers, including PubChem CIDs 33741 and 667511 (and others). We represent the non-isomeric molecule to represent the mixture. The clinically administered form is tramadol hydrochloride." . "EPZ015666 is a first-in-class, potent, selective and orally bioavailable PRMT5 inhibitor. The pharmaceutical composition may comprise the hydrochloride salt. EPZ015666 is compound 166 in patent WO2014100719 ." . "cmp5 is reported as a novel, first-in-class, selective small molecule inhibitor of PRMT5 , an arginine methyltransferase (RMT) of the histone methyltransferase (HMT) family." . "Entrectinib is an oral, brain penetrant, receptor tyrosine kinase (RTK) inhibitor that targets solid tumours that harbour activating alterations in NTRK1, NTRK2, NTRK3 (the Trk family RTKs), ROS1 or ALK . NTRK1 fusion proteins are becoming recognised as oncogenic-drivers in NSCLC , so the ability of the compound to target these and ALK- and ROS1-rearrangements suggests it has the potential to become a very useful oncology agent." . "Veldoreotide (COR-005) is an investigational somatostatin analogue (SSA) in early stage development for treatment of patients with acromegaly." . "Safinamide is an alpha-aminoamide. The clinically administered formulation may be the mesylate salt (PubChem CID 3038502)." . "Tepotinib is a potent and selective, orally available inhibitor of MET tyrosine kinase . It was designed to inhibit the pro-oncogenic signalling caused by MET gene alterations that occur in 3-5% of NSCLC cases, and which correlate with poor prognosis.

Novel tepotinib derivatives are being assessed for antiproliferative activity ." . "Lampalizumab is the Fab antigen binding domain of a humanized monoclonal antibody targeting complement factor D (CFD), the rate-limiting initiator of the alternative complement pathway (AP). The humanized antibody was produced based on a mouse monoclonal (MAb 166-32) .
Peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "Example 373 from patent WO2012093101 , is an exemplar small molecule complement factor D inhibitor, with potential to treat age-related macular degneration (AMD). Other preferred examples are highlighted in ." . "Compound 3 is a nonpeptide, reversible inhibitor of human kallikrein proteins . Small molecule inhibitors of human kallikreins 5, 7 and 14 are being developed with the aim of pharmacologically controlling unopposed proteolytic cascades in skin diseases such as Netherton syndrome ." . "Seribantumab is a fully humanised IgG2 monoclonal antibody targeting ERBB3 (HER3) .
Peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "Idarucizumab is a fully humanized antigen-binding fragment (Fab) of an antibody binding to the active metabolite () of the anti-coagulant prodrug . Idarucizumab has been granted FDA Breakthrough Therapy Designation to help expedite its development, as it represents a solution to an unmet clinical need. That is, to be able to reverse the effects of newer direct, oral anticoagulants such as dabigatran etexilate on demand. Antidotes to other direct anticoagulants in development are discussed in and (see also ).
The crystal structure of dabigatran-bound idarucizumab has been resolved at 1.7Å (Protein Data Bank ID 4JN2) . Additional information regarding the invention of idarucizumab is available in patent US8486398 ." . "Abaloparatide is a synthetic analogue of the 34 amino-terminal residues of human parathyroid hormone-related protein (PTHrP) . Compare this to the approved drug which is a synthetic analogue of human parathyroid hormone (PTH). Abaloparatide and teriparatide are synthetic peptides that help grow and strengthen bone." . "Aclerastide is a synthetic analogue of angiotensin (1-7)." . "Compound 8a is reported as a non-peptide agonist of the BB3 receptor ." . "Tucidinostat (chidamide) is an orally active inhibitor of histone deacetylase (HDAC) enzymes . It has some subtype selectivity for HDAC isoenzymes 1, 2, 3 and 10. Note that we show this compound with no specified stereochemistry." . "Rivipansel is a synthetic glycomimetic molecule, rationally designed as a pan-selectin inhibitor ." . "Dasotraline is a triple reuptake inhibitor . Such compounds are also known as serotonin-norepinephrine-dopamine reuptake inhibitors, or SNDRIs. Structurally, dasotraline is a stereoisomer of an active metabolite of , a selective serotonin reuptake inhibitor (SSRI) antidepressant." . "Compound 22e is reported as a non-peptide agonist of the BB3 receptor ." . "Decernotinib is a selective inhibitor of Janus kinase 3 (JAK3) ." . "Osilodrostat was designed as an inhibitor of aldosterone synthase (CYP11B2), but is also reported to inhibit the closely related enzyme, 11-beta-hydroxylase (CYP11B1) and hence as an inhibitor of cortisol biosynthesis . It is this latter action of osilodrostat that is harnessed for clinical utility in Cushing's disease. The drug is orally bioavailable." . "Fadrozole was designed and reported as a selective aromatase (CYP19A1) inhibitor having only weak effects on aldosterone and cortisol production . More recent evidence suggests that fadrozole is in fact a potent inhibitor of the cytochrome P450 enzymes, CYP11B1 (11-beta-hydroxylase) and CYP11B2 (aldosterone synthase) responsible for cortisol and aldosterone synthesis respectively ." . "Sotagliflozin is a dual inhibitor of the sodium/glucose cotransporters 1 and 2 (SGLT1/2) ." . "ML-18 is reported as a non-peptide antagonist of the bombesin BB3 receptor ." . "Talazoparib is a PARP inhibitor , inhibiting both PARP1 and PARP2 . The compound is bioavailable as the tosylate salt (PubChem CID 56966514)." . "Esuberaprost is a defined enantiomer of the racemate and represents the active enantiomer . Like beraprost, the compound is a prostacyclin IP1 receptor agonist." . "Peficitinib is an oral Janus kinase inhibitor that was developed for potential anti-inflammatory action in autoimmune diseases including rheumatoid arthritis , psoriasis and ulcerative colitis ." . "Polmacoxib is a first-in-class dual COX2/carbonic anhydrase I/II inhibitor, a potential non-steroidal anti-inflammatory drug (NSAID) with postulated attenuated cardiovascular risk compared to selective COX2 inhibiting NSAIDs ." . "Azeliragon is an orally bioavailable small molecule that inhibits the receptor for advanced glycation endproducts (RAGE) ." . "Venetoclax is a BH3 mimetic that selectively targets Bcl-2 , utilised for its pro-apoptotic activity. It is noteworthy that venetoclax is the first approved medicine designed to induce a natural process that helps cells self-destruct.
The IUPAC name provided by PubChem matches 'Example 5' claimed in patent US8580794 ." . "Navitoclax is a potent and orally active BH3 mimetic which antagonises the action of Bcl-2 family proteins Bcl-2, Bcl-xL and Bcl-w . This compound is the result of medicinal chemistry effort to increase aqueous solubility of the parent compound ." . "ABT-737 is an antagonist of prosurvival Bcl-2 family proteins , but has poor aqueous solubility." . "Compound 14 is reported as a negative allosteric modulator (NAM) of the GABAB receptor . Its structure is based on that of , a positive allosteric modulator (PAM) of GABAB receptors." . "Bempedoic acid (ETC-1002) is an orally delivered non-statin drug for treating dyslipidemia and related cardiovascular disease, which offers an additional pharmaceutical strategy for statin-refractory or statin-intolerant patients . Its novel mechanism of action makes it the first-in-class ATP citrate lyase (ACLY; P53396) inhibitor to reach the clinic . Bempedoic acid is in fact a prodrug, as it must be converted to its active metabolite bempedoic acid-CoA by endogenous liver acyl-CoA synthetase. Bempedoic acid-CoA is the bona fide ACLY inhibitor. ACLY is the primary enzyme responsible for the synthesis of cytosolic acetyl-CoA, which in turn is required for de novo lipogenesis and cholesterogenesis, and its inhibition directly reduces cholesterol synthesis in the liver ." . "Monalizumab (IPH2201) is a humanized IgG4κ anti-NKG2A (KLRC1, CD159a) monoclonal antibody being investigated as an anti-cancer treatment . Administered intravenously or subcutaneously. Use of monalizumab is claimed in patent WO2016041947 (called IPH2201 in the patent) .
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "ZD-7155 is an orally active antagonist of the angiotensin II type 1 receptor. It is more potent and longer-acting than the prototype AT1 antagonist, (in rats) .
ZD-7155 has been co-crystalised with a modified human AT1 receptor with PDB structure ID 4YAY ." . "Aducanumab is a fully human IgG1-kappa monoclonal antibody directed against the amyloid beta (Aβ) found in the amyloid plaques in the brain tissue of patients with Alzheimer's disease (AD).
Peptide sequences and structural information about this antibody are available from its IMGT/mAb-DB record. A patent search reveals Biogen Idec's patent submission WO2014089500 ." . "A synthetic analogue of human relaxin-3." . "The sequence of IFN-α2b, differs in only one residue from the sequence of the endogenous peptide, with Lys23 being replaced by Arg." . "Compared to the sequence of the endogenous peptide, IFN-β1a has a Gln to Cys substitution at position 17 and retains the Asn glycosylation site at position 80. Whilst the regular form of this peptide has to be injected 1-3 times/week, a PEGylated form () is now available that requires less frequent administration (on a fortnightly basis)." . "Compared to the sequence of endogenous IFN-β, IFN-β1b has a Ser to Cys substitution at position 17, but does not retain the glycosylation site at Asn80. It also lacks the initiating Met. This recombinant peptide is produced in E.coli." . "This is a recombinant analogue of human interferon gamma (IFN-γ) produced in E.coli and is therefore not glycosylated." . "PBD150 is a potent inhibitor of glutaminyl cyclase (QC), an enzyme which can modify the N-terminal glutamate residue of amyloid beta (Aβ) proteins to generate pyroglutamate-Aβ ." . "Donanemab (LY3002813) is a monoclonal antibody developed from the murine monoclonal mE8-IgG2a . It binds to N-terminally, pyroglutamate-modified amyloid β proteins (abbreviated as Aβp3-x or N3pG) which are found extensively in the amyloid plaques of the brains of Alzheimer's disease (AD) patients. The removal of Aβp3-x is being investigated as a novel mechanism to treat AD." . "GSK1070916 is reported to be an ATP-competitive, potent and selective inhibitor of Aurora kinases B and C ." . "OTX015 inhibits interaction between bromodomain and extra-terminal (BET) family of bromodomain-containing proteins (BRDs) BET domains and acetylated histone 4 (AcH4). It is an orally available novel BRD2/3/4 inhibitor with potent preclinical anti-tumour activity . OTX015 is an analogue of ." . "This compound is a potent and selective inhibitor of dipeptidyl-peptidases 8 and 9 (DPP8/9) . This is the (S)-isomer of ." . "Iniparib was reported as PARP1 inhibitor (or rather its metabolite 4-iodo-3-nitrosobenzamide was reported to inhibit PARP1 activity), however this action has been disputed ." . "Elotuzumab is a humanized IgG1 antibody targeting CS1 (SLAMF7) .
Peptide sequences for elotuzumab are available from its IMGT/mAb-DB record." . "Elagolix is a non-peptide gonadotrophin receptor (GnRHR) antagonist . As of July 2018, it is the first and only FDA-approved oral GnRH antagonist available for the treatment of moderate to severe endometriosis pain." . "Vobarilizumab is an investigational bispecific peptide NanobodyTM which binds soluble IL-6R and human albumin (albumin binding being utilised as a half-life extension methodology). Design and production of ALX-0061 is described in patent US8748581 . Vobarilizumab is being developed for the treatment of rheumatoid arthritis (RA) and systemic lupus erythematosus (SLE). Preclinical information is published in .
The exact NanobodyTM structure being used as ALX-0061 was not revealed in the covering patent , but has been disclosed in the INN submission. Annotated peptide sequences for this therapeutic are available from its IMGT/mAb-DB record." . "EPZ005687 is an inhibitor of the histone methyltransferase, enhancer of zeste 2 polycomb repressive complex 2 subunit (EZH2) ." . "Itacitinib (INCB039110) is a potent and selective inhibitor of Janus kinase 1 (JAK1). Design and synthesis of this compound is claimed in patent WO2011112662 where it is Example 294 ." . "Pracinostat is an orally available, potent pan-HDAC inhibitor ." . "Abexinostat is an investigational inhibitor of histone deacetylase enzymes (HDACs), with antitumour activity ." . "Tacedinaline inhibits the histone deacetylase enzyme HDAC1 , and is reported to have antitumour activity in preclinical studies ." . "ML321 is a dopamine D2 receptor selective antagonist which is a suitable tool compound for the dissection of D2 receptor modulation in proof-of-concept animal studies and provides medicinal chemists a lead structure for the development of novel D2 receptor selective drugs." . "MLS1547 is reported to be a G protein biased dopamine D2 receptor agonist . The compound antagonises arrestin recruitment to the dopamine-induced D2 receptor, but behaves as an agonist in its capacity to induce G protein signalling (ie inhibition of cAMP accumulation via Gi)." . "(−)-stepholidine is a pan-dopamine receptor antagonist ." . "Abicipar pegol is a VEGFA targeting protein conjugate generated using DARPin® technology . The INN record for this construct describes it as a 'pegylated composite protein for clinical applications (CPCA)'. The amino acid sequence for the protein component is provided here. Structurally, the conjugate contains glycyl-seryl-ankyrin repeats (3-35, 36-68, 69-101, 102-123) with a short linker (127-134) and a cysteine di-sulphide bond (1-135), conjugated via a maleimide group linker (thioether bond to C135) to a single linear methoxy polyethylene glycol 20 (mPEG20). DARPins are protein therapeutics that are being developed as an alternative to antigen receptors (antibodies)." . "(-)-englerin A is a plant extract from the bark of Phyllanthus engleri . (-)-englerin A is a potent and selective agonist of TRPC4 and TRPC5 calcium channels with cytotoxic activity selective for several renal cancer cell lines . The (+) enantiomer is inactive against the same cells . The compound has been chemically synthesised ." . "We represent this molecule with no stereochemical assignments to represent the racemic mixture ariisng from the presence of two steroecentres. The compound can exist as RS (PubChem CID 36691047), SR (PubChem CID 36691042), RR (PubChem CID 36691044) or SS (PubChem CID 3246043) enantiomers. The compound is contained in the National Cancer Institute (NCI) Diversity Set II which is a freely accessible compound repository maintained as part of the Developmental Therapeutics Program (DTP). The DTP provides online, open access to screening data and compound structural details for small molecules that may be of use in anti-cancer (and anti-HIV) drug discovery programmes." . "Olodanrigan (EMA401) is reported as a selective antagonist of the angiotensin type II receptor (AT2R) . The compound is being assessed as a novel therapy for neuropathic pain .
Note that PubChem CID 23683656 refers to the potassium salt and that the sodium salt was used in ." . "Etelcalcetide is a novel calcimimetic, peptidic agonist of the human cell surface calcium-sensing receptor (CaSR) . The chemical structure shown here was generated using the SMILES from PubChem CID 71511839." . "Ertugliflozin (PF-04971729) is an inhibitor of sodium/glucose cotransporter 2 (SGLT2). The discovery of PF-04971729 is reported in , where it is compound 4." . "PF-00489791 is a long-acting, selective and competitive inhibitor of phosphodiesterase 5 (gene symbol PDE5A) inhibitor which is reported to reduce systemic blood pressure in patients with hypertension ." . "This structure was drawn from the Structural Genomics Consortium's chemical probe page for I-BRD9 . I-BRD9 is the first selective tool compound which will be useful in resolving the biological function of bromodomain containing 9 (BRD9) . This is a compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection." . "Tafamidis binds potently and selectively to transthyretin (TTR), stabilising protein tetramers, thereby inhibiting the formation of amyloid fibrils . The trade name for this drug is Vyndaqel which contains tafamidis meglumine (PubChem CID 24970412). The Vyndamax brand contains tafamidis parent molecule." . "VS-5584 (SB2343) is a potent and selective dual PI3K (phosphatidylinositol 3-kinase)/mTOR (mechanistic target of rapamycin) kinase inhibitor ." . "Bimiralisib (PQR309) is a novel dual inhibitor of phosphoinositol 3-kinase (PI3K) and mechanistic target of rapamycin (mTOR) kinases, with expected utility as an anti-cancer agent (see AACR poster #2664, 2015).
The discovery of PQR309 is claimed in patent WO-2010052569-A2, where it is compound 54 (in structure tables) and Example P11 ." . "LTK-14 is a derivative of the natural product . The structure was drawn from the image in , in which the compound is described as a selective inhibitor of histone acetyltransferase p300 (eq. K(lysine) acetyltransferase 2B, KAT2B- also known as p300/CBP-associated factor)." . "Chaetocin is a fungal mycotoxin specifically inhibiting the histone methyltransferase (HMT), suppressor of variegation 3-9 homolog 1 (SUV39H1) . SUV39H1 is the main enzyme responsible for the trimethylation of lysine 9 in histone H3.
We show the chemical structure here without any stereochemical specification. PubChem records various stereoisomers of this naturally ocurring metabolite." . "UNC0321 was the first reported picomolar inhibitor of the histone methyltransferase, G9a (eq. euchromatic histone-lysine N-methyltransferase 2, EHMT2) . G9a catalyses methylation of lysine 9 of histone H3 (H3K9) and lysine 373 (K373) of the tumour suppressor, p53 , and is reported to be overexpressed in human cancers." . "ORY-1001 is a selective and irreversible inhibitor of lysine (K)-specific demethylase 1A (KDM1A, aka LSD1) , in clinical development by Oryzon Genomics. Structurally it is a derivative of . ORY-1001 is claimed in patent WO2010084160 A1 . We provide the structure for the parent compound and the dichloride salt is represented in PubChem CID 71664305." . "The discovery of CHR-3996 is reported in . CHR-3996 is described as an orally active histone deacetylase (HDAC) inhibitor, with selectivity for Class I HDACs.
PubChem CID 49857317 represents this molecule wih alternative stereochemistry." . "Compound A is a selective agonist of the free fatty acid receptor 4 (FFA4R) . The compound is a small molecule, orally active mimic of ω-3-fatty acids, the endogenous ligands of FFA4R ." . "DZNep was originally identified as an inhibitor of S-adenosylhomocysteine (AdoHcy) hydrolase . Subsequently DZNep has been reported to inhibit EZH2 histone methyltransferase activity ." . "MB-3 is reported as a cell-permeable small-molecule inhibitor of the histone acetyltransferase enzyme, general control nonderepressible 5 (GCN5, gene symbol KAT2B) . In vitro, MB-3 has been shown to inhibit GCN5-driven acetylation of the chimeric oncoprotein E2A-PBX1 . E2A-PBX1 is a non-histone target of GCN5 .
A 2017 article by Dahlin et al. suggests that the thiol-reactivity of MB-3 brings in to question its activity as a selective HAT inhibitor ." . "We show one representation of mithramycin here. As a natural product there are alternate chemical structures due to the complex stereochemistry. Also known as plicamycin, the compound has been used clinically as an antineoplastic antibacterial (produced by Streptomyces plicatus)." . "DS-437 is reported as a dual inhibitor of the protein arginine methyltransferases PRMT7 and PRMT5 ." . "Compound 34 is reported as tool compound which acts as an inhibitor of the enzyme tripartite motif containing 24 (TRIM24) and of the bromodomain protein, bromodomain and PHD finger containing, 1 (BRPF1) ." . "This compound is an investigational small molecule inhibitor of beta-site APP-cleaving enzyme 1 (BACE1, β-secretase) (n.b. this is cpd 13 in the reference, not cpd 16 declared as the lead in this article)." . "Anacetrapib is a small molecule that inhibits cholesterylester transfer protein (CETP; P11597) . CETP was considered as a target for prevention of dyslipidemia and resucing cardiovascular mortality, with CETP inhibitors proposed as a direct route to raise HDL.
Clinical trial results for a number of CETP inhibitors have failed to show clinical benefit. Failed candidates include , anacetrapib, torcetrapib, and dalcetrapib ." . "Evacetrapib is a cholesterylester transfer protein (CETP) inhibitor . CETP was considered as a target for prevention of dyslipidemia and resucing cardiovascular mortality, with CETP inhibitors proposed as a direct route to raise HDL.
Clinical trial results for a number of CETP inhibitors have failed to show clinical benefit. Failed candidates include evacetrapib, , torcetrapib, and dalcetrapib ." . "Omarigliptin is an investigational long-acting inhibitor of dipeptidyl peptidase 4 (DPP4) . The first DPP4 inhibitor to be clinically approved was . This has subsequently been joined by several more drugs such as , , and ." . "This ligand is represented in PubChem by CID 9902054 which does not include specification of chirality." . "Retosiban is a investigational non-peptide oxytocin antagonist ." . "Polatuzumab vedotin is an antibody drug conjugate containing an anti-CD79b monoclonal antibody linked to the toxin monomethyl auristatin E (MMAE, aka vedotin; PubChem CID 11542188).
Peptide sequence information for this antibody is available from its IMGT/mAb-DB record. Peptide sequence matches identify US8088378 as the claiming patent ." . "Lifastuzumab vedotin is an antibody drug conjugate containing an anti-SLC34A2 (sodium phosphate 2 transporter) monoclonal antibody linked to the toxin monomethyl auristatin E (MMAE, aka vedotin; PubChem CID 11542188).
Peptide sequence information for this antibody is available from its IMGT/mAb-DB record. Peptide sequence match identifies US8535675 as the covering patent , and also identifies the target antigen denoted as TAT211 in this patent as the sodium phosphate transporter." . "Codrituzumab is the first-in-class, recombinant, humanized monoclonal antibody which binds to glypican-3 (GPC3). GPC3 is an oncofetal protein highly expressed in hepatocellular carcinoma (HCC) cells . The anti-GPC3 antibody has been modified to carry fewer fucose sugar chains with the aim of increasing its cytotoxic activity, and therefore improving its inhibitory effect on cell growth, providing an enhanced anticancer agent.
Peptide sequence information for this antibody is available from its IMGT/mAb-DB record. Peptide sequence match identifies US7867734 as the covering patent ." . "Selective agonist of the adenosine A2A receptor" . "Etrolizumab is a humanized monoclonal antibody targeting integrin receptors containing the ITGB7 (β7) subunit (namely α4β7 and αEβ7).
Peptide sequence information for this antibody is available from its IMGT/mAb-DB record. Peptide sequence matches indicate that US7528236 is the covering patent . The likely candidate antibody clone is that designated hu504.32R.
Etrolizumab has a slightly different mechanism of action compared to the already approved ulcerative colitis biologic (Entyvio®), which targets only α4β7 integrin." . "Sulfated form of gastrin-14." . "Simtuzumab is an investigational monoclonal antibody targeting lysyl oxidase-like 2 (LOXL2). The antibody is reported to be an allosteric modulator of LOXL2 enzymatic activity .
Peptide sequence information for this antibody is available from its IMGT/mAb-DB record. Peptide sequence matches reveal that US8461303 is the covering patent . The heavy chain variable domain sequence of simtuzumab (from IMGT) matches the sequence for the AB0023 M20 variant 3 clone in US8461303." . "Eleclazine is a sodium channel inhibitor, modulating cardiac late Na+ currents via the Nav1.5 (gene symbol SCN5A) channel. The compound is a dihydrobenzodiazepine type structure. Dihydrobenzodiazepine scaffolds are being developed as α-helix mimetics, with the potential to inhibit protein-protein interactions . This chemical structure and its use is covered by patent US20150038489 ." . "5-BODMT is a novel compound with >60-fold selectivity for the 5-HT1F receptor compared to the 5-HT1E receptor ." . "Nacubactam is a β-lactamase inhibitor , intended for use alongside β-lactamase-sensitive antibacterials ." . "Trebananib is an immunoglobulin G1 Fc peptibody (fusion protein). Trebananib is being developed as a potential non-VEGF anti-angiogenesis option for the treatment for recurrent epithelial ovarian cancer ." . "Tanezumab is an investigational monoclonal antibody targeting nerve growth factor (NGF). NGF is a neurotrophin that regulates the development and survival of a select population of neurons through the binding and activation of the neurotrophic receptor tyrosine kinase 1 (TrkA receptor). Elevated levels of NGF have been associated with painful pathologies including diabetic neuropathy, fibromyalgia and osteoarthritis. Inhibition of NGF signalling has been explored for anti-pain potential.
Peptide sequence information for this antibody is available from its IMGT/mAb-DB record. BLAST peptide sequence analysis reveals identical sequences are claimed in patent US7449616." . "LY2928057 is an investigational anti-ferroportin monoclonal being developed as a treatment for anemia. A search of patents reveals WO2010065496 A1 as Eli Lilly's application covering the development and use of anti-ferroportin 1 monoclonal antibodies . The HGNC approved gene symbol for ferroportin 1 is SLC40A1." . "GLPG0974 is a lead clinical development candidate compound which acts as an antagonist of the free fatty acid receptor 2 (FFA2) . FFA2 is a GPCR involved in the mediation of inflammatory responses." . "AS-19 is a selective serotonin 5-HT7 receptor agonist . 5-HT7 receptor agonists may be usful tools in the investigation of the receptor's function in memory and pain ." . "Pimavanserin is an inverse agonist of the serotonin 5-HT2A receptor . Pharmaceutical formulations contain pimavanserin tartrate (PubChem CID 67017013) ." . "BF-1 is a selective antagonist of the 5-HT2B receptor, being investigated preclinically as an anti-migraine therapeutic . Because this compound lacks high affinities for other monoamine receptors it should have fewer monoanimergic side effects than reported for previously used and withdrawn 5-HT2B antagonists such as and . BF-1 is the result of structural modification of the chemical scaffold of , a compound with high affinity for 5-HT2A, 2B, 2C, histamine H1, adrenaline α1A and muscarinic M2 receptors ." . "Velusetrag is a potent and selective, orally available agonist of the 5-HT4 receptor. The compound is being investigated as a treatment for chronic constipation and irritable bowel syndrome ." . "TD-8954 is a potent and selective agonist of the 5-HT4 receptor . The compound is being investigated for its gastrointestinal prokinetic action." . "LP-12 is a selective serotonin 5-HT7 receptor agonist ." . "Relenopride (YKP10811) is a partial agonist which is selective for the serotonin 5-HT4 receptor ." . "This compound was discovered as the result of a medicinal chemistry programme directed towards the design and synthesis of new tool compounds which are potent and selective 5-HT6 receptor agonists . Such a tool compound could be used to investigate the in vivo functional role of 5-HT6 receptors." . "WAY-208466 is a selective serotonin 5-HT6 receptor agonist ." . "[11C]GSK215083 is used as a PET radioligand, to allow in vivo imaging of serotonin 5-HT6 receptor distribution . GSK215083 is a 5-HT6 receptor antagonist with a lipophilicity profile permitting brain penetrance ." . "DR-4004 is a selective antagonist of the serotonin 5-HT7 receptor ." . "JNJ-18038683 is a 1:1 mixture of PubChem CID 11151899 and citric acid (2-hydroxypropane-1,2,3-tricarboxylic acid, PubChem CID 311) . We only show the structure for the former moeity which is a selective serotonin 5-HT7 receptor antagonist." . "Compound 101 is an inhibitor of the beta adrenergic receptor kinase 1 (aka GRK2, gene symbol ADRBK1) and beta adrenergic receptor kinase 2 (aka GRK3, gene symbol ADRBK2) . Compound 101 is one of the chemical structures covered by patent WO2007034846 A1 ." . "ABT-670 is an orally bioavailable agonist of the dopamine D4 receptor . The compound was designed as a potential treatment for erectile dysfunction." . "ML398 is reported as a potent and selective antagonist of the dopamine D4 receptor ." . "A-381393 is reported as a potent and selective antagonist of the dopamine D4 receptor ." . "Remimazolam is a benzodiazepine type compound, that was developed as an ultra-short-acting sedative/anesthetic . This compound combines the actions of the opioid analgesic with that of the currently used sedative (GABAA receptor modulator). Remimazolam is proposed as a safer alternative to the current standard of care." . "Some substituted benzazepines such as SKF-83959 are G-protein biased agonists of the dopamine D1 receptor and fail to activate arrestin recruitment ." . "Amebulant is a leukotriene B4 (BLT1) receptor antagonist prodrug ." . "Patent search with this structure reveals SCHEMBL10020974 ID matching a structure (Analogue 1) in patent WO2010149944 . ISA-2011B is being evaluated pre-clinically as a potential anti-prostate cancer therapeutic ." . "Beloranib is an investigational drug candidate for the treatment of obesity. The compound is a synthetic derivative of the antimicrobial agent fumagillin, from Aspergillus fumigatus. Beloranib is administered by subcutaneous injection." . "Ularitide is a synthetic 32 amino acid peptidomimetic of human urodilatin (atrial natriuretic peptide (95-126))." . "Sparsentan (RE-021) is a selective dual-acting receptor antagonist with affinity for endothelin (A type) and angiotensin II receptors (Type 1) . Sparsentan combines the active moieties of the selective AT1 receptor antagonist and a selective ETA receptor antagonist (see ligand 91 in )." . "Tenapanor is an inhibitor of the sodium/hydrogen exchanger 3 (NHE3, gene symbol SLC9A3) . Tenapanor is Compound 236 in patent US8541448 ." . "Ixazomib is the first approved oral proteasome inhibitor. Ixazomib reversibly inhibits 20S proteasome activity. Like , ixazomib primarily inhibits the chymotrypsin-like (β5) proteolytic site within the 20S proteasome, but its pharmacokinetics, pharmacodynamics, and antitumor activity are superior to those of bortezomib ." . "Demcizumab is a humanised IgG2 monoclonal antibody targeting DLL4 (), a membrane bound Notch receptor ligand expressed predominantly on vascular endothelial cells.
Peptide sequence information for this antibody is available from its IMGT/mAb-DB record. A BLAST search using the peptide sequence of the variable region of the heavy chain forming demcizumab reveals US7750124 B2 as the covering patent ." . "DLL4 is a 685 amino acid, peptide Notch receptor ligand expressed on the membranes of vascular endothelial cells . DLL4 is a molecular target for the development of anti-cancer therapies ." . "Droxinostat is a selective inhibitor of histone deacetylases (HDACs) 3, 6 and 8 ." . "Tarextumab is fully human IgG2 monoclonal antibody targeting Notch receptors 2 and 3.
Peptide sequence information for this antibody is available from its IMGT/mAb-DB record. A BLAST search using the peptide sequence of the variable region of the heavy chain of tarextumab reveals 100% match with sequences patented in US8226943 B2 ." . "Roxadustat is a compound which inhibits hypoxia inducible factor prolyl hydroxylase (HIF-PH) activity. HIF-PH inhibitors are being investigated as novel therapies for anemia, especially anemia caused by chronic kindney disease (CKD) . It is hoped that HIF-PH inhibitors will provide a more effective alternative to the use of erythropoetin replacement therapy plus iron supplementation in CKD patients." . "Daprodustat is a compound which inhibits hypoxia inducible factor prolyl hydroxylase (HIF-PH) activity. HIF-PH inhibitors are being investigated as novel therapies for anemia, especially anemia caused by chronic kindney disease (CKD). It is hoped that HIF-PH inhibitors will provide a more effective alternative to the use of erythropoetin replacement therapy plus iron supplementation in CKD patients" . "Molidustat is a compound which inhibits hypoxia inducible factor prolyl hydroxylase (HIF-PH) activity. HIF-PH inhibitors are being investigated as novel therapies for anemia, especially anemia caused by chronic kindney disease (CKD). It is hoped that HIF-PH inhibitors will provide a more effective alternative to the use of erythropoetin replacement therapy plus iron supplementation in CKD patients" . "Compound 10 [PMID 19402633] is a highly seelctive inhibitor of Aurora kinase A compared to Aurora kinase B (1000-fold selective) ." . "Nesvacumab is a fully human monoclonal antibody that targets (ANGPT2, aka ANG2), being investigated as an antiangiogenic anti-tumour agent.
Peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "Otelixizumab is a chimeric humanized IgG1 monoclonal antibody targeting the CD3E component of the T cell receptor. The antibody is aglycosylated. Otelixizumab was investigated as a potential treatment for autoimmune diseases including type I diabetes .
Peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "Lulizumab pegol is a humanised PEGylated anti-CD28 antibody-based biologic, developed as a potential treatment for autoimmune diseases. This so-called domain antibody (dAb) contains the smallest functional binding unit and lacks the divalent structure characteristic of a complete antibody . PEGylation improves solubility and extends circulating half-life .
Peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "Tremelimumab is a fully human investigational monoclonal antibody targeting cytotoxic T-lymphocyte-associated protein 4 (CTLA4, CD152). Tremelimumab was designed as an antineoplastic agent. A BLAST sequence alignment matches tremelimumab to patent US 6682736, and identifies antibody clone 11.2.1 ." . "AZD2461 is an inhibitor of poly(ADP-ribose)polymerase (PARP) enzymes. AZD2461 is compound 2b in patent WO2009093032 A1 ." . "AZD5438 is a potent oral inhibitor of cyclin dependent kinases (CDKs) 1, 2 and 9 ." . "AZD8330 is a non-ATP competitive inhibitor of the kinases MEK 1 and MEK2. Clinical development was terminated at Phase 1." . "AZ628 is an experimental inhibitor of RAF kinases . Preclinical data for AZ628 was presented at the AACR Annual Meeting by Shen et al. in 2007 (Linking molecular characteristics to the pharmacological response of a panel of cancer cell lines to the BRAF inhibitor, AZ628)." . "AZ960 is a novel ATP competitive Janus kinase 2 (JAK2) inhibitor ." . "AZ20 is a novel potent and selective inhibitor the ATR serine/threonine kinase (ATR) ." . "The salt, sodium phenylbutyrate (PubChem CID 5258) is an inhibitor of histone deacetylase (HDAC) activity ." . "LDN-214117 is an experimental activin A receptor, type I (ACVR1 aka BMP type I receptor kinase ALK2) inhibitor . LDN-214117 may provide a structural template for the preclinical development of novel therapeutics for conditions such as fibrodysplasia ossificans progressiva (FOP), characterised by inappropriate BMP signalling, and reported to be caused by gain-of-function ALK2 mutations ." . "Decynium 22 is a potent inhibitor of the plasma membrane monoamine transporter (PMAT aka NET4; SLC29A4) . It is also reported to inhibit the organic action transporter OCT2 (SLC22A2) . Strictly, decynium 22 refers to the iodide salt (PubChem CID 5484462), but we show the parent molecule in this ligand entry." . "Compound 4d is reported as an irreversible, non-peptide inhibitor of kallikrein proteins . This compound appears to be patent protected by US-9006466-B2 ." . "Peptide KLK2b(c1) is a selective inhibitor of glandular kallikrein (KLK2) , a testis-specific serine protease. KLK2 inhibitors are being investigated as novel therapeutics to prevent the metastasis of prostate cancer ." . "Compound 1 is reported as a novel inhibitor of spleen-derived heme oxygenase (haem oxygenase 1, HMOX1; human and rat) . The compound may be used experimentally as the hydrochloride salt (PubChem CID 11624320)." . "This compound is claimed in patent WO2009133348 . WO2009133348 reports the development of human tissue kallikrein (KLK1) inhibitors, and covers their use for the treatment of conditions such as asthma and chronic obstructive pulmonary disease (COPD)." . "Compound 8 is reported as a brain-penetrating inhibitor of prolyl endopeptidase-like (PREPL) enzyme activity . Compound 8 is a useful pharmacological tool for investigating the biochemistry and physiological function of PREPL." . "SKA-121 has been shown to be a KCa3.1-specific positive gating modulator suitable for further exploring the therapeutic potential of KCa3.1 activation ." . "Compound 11 is reported as a small molecule inhibitor of plasma kallikrein (KLKB1) . Compound 11 exhibits favourable pharmacokinetics in rats and may have potential therapeutic uses in inflammatory or coagulation disorders." . "STAT3 inhibitor; inhibits mTORC1 signaling; positive allosteric modulator (PAM) of the neuropeptide Y4 receptor .

Evidence from repurposing studies suggests some activity against methicillin-resistant Staphylococcus aureus (MRSA), and Zika virus (in vitro) ." . "The p17 protein resides at the amino terminal ends of both the p55gag and p160gag-pol HIV proteins, and is essential for targeting these proteins to the plasma membrane to facilitate the assembly and budding of viral particles. p17 has been reported to bind to the CXCR1 chemokine receptor , inducing an IL-8-like cytokine response in monocytes." . "vCXCL1 is a protein product of the cytomegalovirus UL146 gene. vCXCL1 mimics the host's endogenous chemokine, activating associated chemokine receptors and signalling pathways ." . "Navarixin (SCH-527123, MK-7123) is a potent and orally bioavailable CXCR2/CXCR1 receptor antagonist ." . "Reparixin is an orally bioavailable compound that has been explored for potential to disrupt IL-8/CXCR1/2 signalling in cancer and transplant indications. It negatively modulates CXCR1 and CXCR2 dependent functions , but without inhibiting chemokine binding to either receptor. Direct binding to CXCR1 has only been indicated by molecular modelling, so the mechanism of action of this molecule remains to be fully resolved." . "Elubirixin (SB-656933) is reported as a CXCR2 selective antagonist ." . "Danirixin (GSK-1325756B) is being developed as a clinically efficacious antagonist of the CXCR2 chemokine receptor ." . "SX-517 is reported as an antagonist of the CXCR1 and CXCR2 cytokine receptors ." . "MK-7725 is reported as a selective non-peptide agonist of the BB3 receptor ." . "Bag-2 is a non-peptide agonist of the bombesin BB3 receptor. The name provided for this tritiated version of the compound in the originating article is 4'-{2-[5-(cyclopentyl-methyl)-1H-imidazol-2-yl]-1,2-ditritium-ethyl}biphenyl-2-carboxylic acid . We show the structure for the un-labelled molecule, without specifying location of the tritium atoms. See the page for further details about this ligand." . "Compound 17c is reported as a selective, non-peptide agonist of the bombesin BB3 receptor ." . "Compound 9f is reported as a non-peptide, selective agonist of the bombesin BB3 receptor ." . "Compound 9g is reported as a non-peptide, selective agonist of the bombesin BB3 receptor ." . "Compound 58 is reported as a selective inhibitor of SLC6A7, the sodium-dependent proline transporter (PROT) . Additional examples of acyl-piperazine based compounds with SAR data are reported in ." . "PF-01247324 is a NaV 1.8 blocker that attenuates nociception and sensory neuron excitability . This publication has an F1000 recommendation. There are six active analogues described in WO2006011050 but without quantitative data." . "The position of the radiolabelled atom in the amino acid sequence is not specified by the reference." . "SGC707 is a cell permeable, potent and selective chemical probe for protein arginine methyltransferase 3 (PRMT3), which allosterically inhibits enzyme activity . This is a compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection." . "MM07, is a cyclic peptide agonist of the apelin receptor that is more stable than the endogenous apelin peptide. It acts as a biased agonist at the apelin receptor, that can preferentially stimulate the G protein pathway. It was hypothesised that this biased action could translate to improved efficacy in vitro by selectively stimulating vasodilatation and inotropic actions, whilst avoiding activation of detrimental β-arrestin-dependent pathways.

We generated the HELM annotation and SMILES for MM07 using HELM Editor v1.4 (from Pistoia Alliance)." . "Elabela/Toddler-32 is a predicted dibasic cleavage site isoform of " . "Elabela/Toddler-21 is a predicted dibasic cleavage site isoform of " . "Elabela/Toddler-11 is a predicted dibasic cleavage site isoform of " . "AZD8186 is a selective inhibitor of PI3Kβ- and δ-mediated AKT signalling ." . "Xilonix is an investigational fully human monoclonal antibody targeting IL-1α. A patent search suggest that Xilonix is the subject of WO2009148575 , although we do not have access to the peptide sequences of the antibody to confirm this." . "Compound 9 is reported as an inhibitor of human acrosin (ACR) . Inhibition of acrosin would be expected to inhibit the acrosome reaction preventing lysis of the zona pellucida which is essential for spermatozoan penetration through the oocyte membrane. Small molecule inhibitors of acrosin were therefore of pharmaceutical interest as nonhormonal contraceptive agents." . "Ro5028442 is an investigational selective brain-penetrant antagonist of the vasopressin V1A receptor. The discovery of this compound is reported in , where it is compound 8." . "CXCL12-γ is produced by alternative splicing of the CXCL12 gene and it is almost twice as large as and . It is a low affinity CXCR4 agonist and has limited signal transduction capacity. Expression of this γ isoform is mainly restricted to regions of adult brain and heart in humans and rats. In the mouse heart, CXCL12-γ localises to the nucleus via canonical nuclear localization signals and to the nucleolus via a specific nucleolar localization signal (NoLS) in its unique C-terminal region . This suggests an intracellular signalling function for this isoform, which would make it unique amongst all of the known chemokines." . "Protein product of a splice variant of the CXCL12 gene. Identification of CXCL12δ is reported in , and it is most highly expressed in fetal liver." . "Protein product of a splice variant of the CXCL12 gene. Identification of CXCL12ε is reported in , although its biological significance remsins unclear." . "Protein product of a splice variant of the CXCL12 gene. Identification of CXCL12φ is reported in , although its biological significance remsins unclear." . "Sequence of human CXCL12α with His25 replaced by Arg, which will only act as a peptide monomer ." . "A constitutive dimer of human CXCL12α carrying two cysteine substitutions (L36C and A65C) promoting the formation of trans-peptide disulphide bonds which lock the dimer structure ." . "Human CXCL12α, with Pro2 replaced by Gly ." . "ONO-AE3-237 has high DP1 antagonist selectivity and (sub)nanomolar affinity." . "PF-04852946 is an EP2 receptor-selective antagonist" . "Olesoxime is an investigational cholesterol-like compound with potential as a therapeutic for amyotrophic lateral sclerosis (ALS) or spinal muscular atrophy (SMA)." . "Alloswitch-1 is the first reported photo-switchable negative allosteric modulator (NAM) for an endogenous G protein-coupled receptor , in this case a NAM of the mGlu5 metabotropic glutamate receptor. Violet light isomerizes the trans molecule to the cis molecule and green light reverses this isomerization . In dark conditions trans-alloswitch-1 antagonizes IP production by (orthosteric agonist)-activated mGlu5 receptors. Exposure to violet light reduces this level of antagonism, indicating that the cis-isomer is less active as a NAM than the trans-isomer .
The development of photo-switchable compounds is being pursued by pharmaceutical companies as a method to improve pharmacological selectivity by allowing precise spatio-temporal regulation of drug action ." . "The structure of this ligand is not specified in the available literature. Fan et al. demonstrated the agonist properties of WB4-24 at the GLP-1 receptor ." . "XAP044 exerts antagonist-like activity at the mGlu5 receptor, binding to a novel site within the extracellular Venus flytrap domain compared with known selective ligands , making this compound a negative allosteric modulator (NAM)." . "CYM2503 is reported as a positive allosteric modulator (PAM) of the GAL2 receptor which potentiates galanin-induced IP1 production in vitro . The compound has no affinity for the orthosteric galanin binding site of the receptor (as measured by its inability to displace iodinated galanin, or to induce IP1 accumulation on its own). The compound has no effect on GAL1 receptor activity." . "This photo prodrug shows proof of concept in loss-of-function and light-dependent recovery of efficacy in kinase and cellular assays ." . "This compound is a selective inhibitor of dipeptidyl-peptidase 4 (DPP4) ." . "Compound 15c is reported as an inhibitor of ADAM metallopeptidase with thrombospondin type 1 motif, 4 (ADAMTS4 aka aggrecanase-1) and ADAM metallopeptidase with thrombospondin type 1 motif, 5 ((ADAMTS5 aka aggrecanase-2) ." . "This a tool compound reported as a prolylcarboxypeptidase (PRCP) inhibitor . Additional structure-activity relationship (SAR) information for this (Example 12) and related compounds is provided in patent US8669252 B2 . Prolylcarboxypeptidase is being investigated as a novel target for anti-obesity therapeutics due to its role in regulating metabolism." . "Compound 20 is reported in a medicinal chemistry study to identify inhibitors of the HCV NS3 protease . Compound 20 is a peptide boronic acid containing an extended, hydrophobic P1 residue. The boronic acid/P1 moeity is ligated to the small peptide H-Asp-Glu-Val-Val-Pro. The compound also inhibits human chymotrypsin C (CTRC)." . "Compound 3 is reported as a small molecule inhibitor of Ras converting CAAX endopeptidase 1 (RCE1) ." . "Compound 14 is reported as a selective inhibitor of methionyl aminopeptidase 1 (METAP1) ." . "TLR1/2 agonist; induces cytokine production." . "Compound 2 is reported as an inhibitor of bone morphogenetic protein 1 (BMP1), or procollagen C-proteinase in this referenced article . BMP1 is considered a druggable molecular target for the development of anti-fibrotic agents because collagen substrates are involved in forming functional collagen fibrils." . "ARI-3099 is reported as an inhibitor of fibroblast activation protein, alpha (FAP) . FAP is being investigated as a novel anti-cancer drug target, given the role of the enzyme in tumour invasion and metastasis. Bachovchin et al. (2014) report inhibition of acylaminoacyl-peptide hydrolase (APEH) by this compound ." . "ARI-3531 is reported to selectively inhibit prolyl endopeptidase (PREP) compared to fibroblast activation protein, alpha (FAP) . The stereochemistry represented here matches that provided in the referenced article ." . "Compound I3 is reported as a potent and selective inhibitor of aminopeptidase-N (ANPEP aka APN) . ANPEP inhibitors are hypothesised to have anti-angiogenic activity with potential use as anti-cancer therapeutics." . "Ac-VEID-CHO is reported as an inhibitor of caspase 6 (CASP6) . Caspase 6 has been investigated as a potential drug target for the treatment of Parkinson's disease, based on the role of the enzyme in mediating the cleavage of the huntingtin protein into toxic fragments." . "RS 39066 inhibits matrix metallopeptidase 7 (matrilysin) (MMP7) ." . "Compound 25 is reported to selectively inhibit the activity of ADAM metallopeptidase domain 10 (ADAM10), relative to MMP1 and MMP2 ." . "This compound is reported to inhibit the activity of calpain 2 (CAPN2) ." . "This compound is reported to inhibit porcine calpain 1 ." . "BAZ2-ICR is a small molecule probe which binds to the BRD domains of the BRD domain-containing proteins BAZ2A and BAZ2B . This is a compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection." . "LP99 is a selective inhibitor of the bromodomain-containing proteins BRD7 and BRD9 , proteins which participate in chromatin remodelling as part of the SWI/SNF complex. LP99 is a novel and useful chemical probe for investigating BRD7/9 function. This is a compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection." . "This compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection, is a useful tool for studying the function of bromodomains in BRPF1, -2 (HGNC gene symbol BRD1) and -3 proteins. BRPF1/2/3 provide the scaffold for the formation of MYST complexes which play essential functions in DNA repair, recombination, replication and activation of transcription." . "This compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection, is a useful tool for studying the function of the bromodomain-containing protein, BRPF1. BRPF proteins 1, 2 and 3 provide the scaffold for the formation of MYST complexes which play essential functions in DNA repair, recombination, replication and activation of transcription. PFI-4 is selective for the BRPF1B isoform. The BRPF1A isoform contains an amino acid insertion which prevents its binding to acetylated histone peptides." . "Peptide 4 is reported as an inhibitor of tripeptidyl peptidase II (TPP2) . TPP2 is vital for essential processes such as antigen processing, apoptosis and cell division, with inhibitors predicted to have clinical potential in muscle wasting diseases, obesity, and cancer ." . "KDOAM25 is a small molecule tool compound useful for studying the function of the KDM5 family of demethylase proteins. KDM5 proteins remove H3K4me3 and H3K4me2 histone marks and is therefore central to regulating the histone code. KDM5 family members have been suggested as potential oncogenes , with KDM5C also implicated in autism and X-linked intellectual disability .
This is a compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection." . "GSK484 binds to peptidyl arginine deiminase, type IV (PADI4; Q9UM07) and inhibits its activity . PADI4 contributes to regulating the histone code by effecting the citrullination/deimination of histones. PADI4 has strong associations with cancer and immune and inflammatory processes. GSK484 will be a useful tool to enhance understanding of the normal and pathological functions of PADI4.
This is a compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection, developed in collaboration with GlaxoSmithKline (GSK)." . "Compound 29e is reported as an inhibitor of matrix metallopeptidases, with high affinity for MMP9 and MMP14 ." . "Ras-Converting Enzyme (RCE1) iInhibitor from a confirmatory PubChem BioAssay. This protein is one of of the post-prenylation-processing enzymes that are targets for oncogenesis." . "Mavorixafor (AMD070) is a potent, selective and bioavailable CXCR4 chemokine receptor allosteric antagonist . Originally developed for HIV treatment, it is now being repurposed by X4 Pharmaceuticals as X4P-001 for the treatment of WHIM syndrome, a sub-type of a primary immunodeficiency disease caused by CXCR4 mutations. The compound is exemplified in a process patent US7332605 and as compound 89 from a series of 169 analogues in WO2003055876 but neither filing includes activity data." . "Example 8 binds to and inhibits the activity of tripeptidyl peptidase II (TPP2) . TPP2 is vital for essential processes such as antigen processing, apoptosis and cell division, with inhibitors predicted to have clinical potential in muscle wasting diseases, obesity, and cancer ." . "MQ1 is reported as a negative allosteric modulator (NAM) of the melanin-concentrating hormone receptor 1 (MCHR1) . Antagonists and NAMs of MCHR1 are being investigated for their potential to provide anti-obesity therapies." . "ONO-3080573 is an antagonist of the lysophosphatidic acid receptor 1 (LPAR1) ." . "ONO-9780307 is an antagonist of the lysophosphatidic acid receptor 1 (LPA1) ." . "ONO-9910539 is an antagonist of the lysophosphatidic acid receptor 1 (LPA1) ." . "The position of the tritiated hydrogen atom in this structure is not specified in the available literature therefore is not shown here." . "The position of the tritiated hydrogen atom is not specified in the available literature therefore is not shown in the structure here." . "The position of the tritiated hydrogen atom is not specified in the available literature therefore it is not shown in the structure here." . "The position of the tritiated hydrogen is not specified in the available literature therefore we do not show it in our structure." . "NTE-1 is reported as an inhibitor of insulin-degrading enzyme (IDE) . The compound binds to an exosite, distinct from the active enzyme site." . "NTE-2 is reported as an inhibitor of insulin-degrading enzyme (IDE) . The compound binds to an exosite, distinct from the active enzyme site." . "A fluorescence-labelled ligand." . "Fluorescence-labelled ligand." . "Fluorescence-labelled probe that binds to enhanced green fluorescent protein (EGFP)-fused muscarinic M1 receptors in living cells and facilitates real time monitoring ." . "GSK2194069 is reported to selectively and potently inhibit fatty acid synthase (FASN) ." . "JZL195 was first reported as a dual inhibitor of fatty acid amide hydrolase (FAAH) and monoacylglycerol lipase (MGLL, a.k.a. MAGL) in 2009 . Animal experiments suggest that dual FAAH/MAGL inhibitiors may have improved analgesic effects against neuropathic pain, in comparison to selective FAAH and MAGL inhibitors, or cannabinoid receptor agonists .
JZL195 has since been reported to also inhibit acyloxyacyl hydrolase (AOAH) " . "Ala(1-naph)-Pro-CN is reported to inhibit the putative hydrolase RBBP9 and dipeptidyl-peptidase 4 (DPP4) ." . "ABL127 is reported to inhibit protein phosphatase methylesterase 1 (PPME1) ." . "KL044 is reported to lengthen the photoperiod by binding to and stabilising mammalian CRY1 ." . "This is an alternative enantiomer of . The stereo-specific effects of this ligand and the enantiomer has been reported by Seebohm et al. (2001) . Note that some biological activity data may have been generated using the racemic mixture (chromanol 239B) represented by the 'flat' structure with PubChem CID 656731. Additional partially specified stereo-isomers include CID 44275282 and CID 44275281." . "ECE-2 inhibitor. Unlike ECE-1, this protease has a restricted neuroendocrine distribution, an acidic pH optimum and may regulate neuropeptide levels . Note there are a number of tautomeric forms in PubChem that vary in the double bond renderings. Note the publication that introduces the name S136492 does not make the structure explicit but refers to the earlier paper ." . "Chronic treatment with a substantially lower dose of deuterium-substituted L-DOPA (D3-L-DOPA), compared with L-DOPA () produced equal anti-parkinsonian effects and reduced dyskinesia in 6-OHDA-lesioned rats . This new rat study reports similar effect produced by D3-L-DOPA and selegiline plus L-DOPA, respectively, implying adjuvant MAO-B inhibitor treatment may not be necessary with D3-L-DOPA . This compound was proposed for development by the Michael J Fox foundation but there is no ClinicalTrials.gov entry." . "Compound 37 is a small molecule inhibitor of activated protein C ." . "Compound 1b is reported primarily as an inhibitor of cathepsin K, but also substantially inhibits cathepsin H ." . "Compound 4b is reported as an inhibitor of calpain 1 ." . "Compound 5a is reported as an inhibitor of calpain 2 ." . "Compound 5b is reported to inhibit the enzymatic activity of proteasome macropain ." . "ECE-1 selective inhibitor " . "Compound 3b is reported to inhibit the chymotrypsin-like (ChT-L) and post-glutamyl peptide hydrolyzing (PGHP) activities of the 20S proteasome ." . "AK198 is an aldose reductase probe compound ." . "Inhibitor 19 is a macrocyclic analogue of angiotensin IV (AT4) reported to potently inhibit leucyl/cystinyl aminopeptidase (LNPEP) . LNPEP (IRAP) inhibitors are being investigated as potential therapeutics utilising a novel mechanism to treat memory dysfunction ." . "Compound 3d is reported to inhibit dipeptidyl peptidase I (aka cathepsin C) ." . "Compound 4 is reported to inhibit the activatable fibrinolysis inhibitor, plasma carboxypeptidase B2 (CPB2) . Inhibitors of CBP2 have been investigated as novel treatments for thrombosis." . "Inhibitor 1 is a peptidomimetic inhibitor of matriptase enzymes, based on the P4−P1 (Arg-Gln-Ala-Arg) portion of the activation peptide of matriptase ." . "This compound is an irreversible inhibitor of protein arginine deiminases, with selectivity for PADI1 and PADI4 . It can be used to study protein arginine deiminase function.
Our structure was drawn from . PubChem CID 54669783 represents an alternative tautomer, and both CHEMBL1962643 and the PDB ligand (YFF&sid=3B1U) have defined stereochemistry which we don't include." . "Compound 4g is reported as an inhibitor of proteinase 3 ." . "Compound 27 was developed in a SAR study to identify PDE10 inhibitors as potential schizophrenia pharmaceuticals . This was the lead compound selected for further in vivo studies." . "Compound 1b was synthesised in a medicinal chemisrty study aiming to discover novel angiotensin-converting enzyme 2 inhibitors (ACE2) ." . "Compound 4 was identified using a structure-activity based approach to identify novel caspase 3 inhibitors ." . "SL422 was identified using a structure-activity aided strategy to identify novel small molecule inhibitors of ADAM17, the tumor necrosis factor, alpha, converting enzyme (TACE) ." . "Compound 40 is reported as an inhibitor of glutamyl aminopeptidase (ENPEP) ." . "This is a radio-labelled version of mouse CXCL13 that can be used as an experimental probe." . "Compound 6 is reported as an inhibitor of membrane-bound aminopeptidase P (XPNPEP1 and XPNPEP2) . XPNPEP inhibitors would be expected to reduce the degradation of bradykinin, with resulting anti-hypertensive effects." . "Compound 7u is reported to inhibit the asparaginyl endopeptidase, legumain ." . "Compound 3 is reported to inhibit human pepsin, in addition to gastricsin and cathepsins D and E ." . "Potent and selective MMP-13 inhibitor for possible treatment of arthritis" . "Compound 7r was designed using scaffold hopping and molecular hybridization strategies to identify novel FGFR inhibitors, based on the structures of existing FGFR inhibitors and . The X-ray structure of FGFR1 in complex with compound 7n (identical to 7r but without the 2-fluoro side group) has been reported and has RCSB Protein Data Bank ID 4ZSA ." . "Compound 57 is reported as a novel low-micromolar inhibitor of ATPase family, AAA domain containing 2 (ATAD2) . This compound has little selectivity over other BET domains tested so further optimisation would be required to optimise selectivity profile.
ATAD2 inhibitors are being investigated for their potential anti-cancer effects." . "Compound 60 is reported as a novel low-micromolar inhibitor of ATPase family, AAA domain containing 2 (ATAD2) . This compound has little selectivity over other BET domains tested so further optimisation would be required to optimise the selectivity profile
ATAD2 inhibitors are being investigated for their potential anti-cancer effects." . "SB-633825 is a novel inhibitor of human serine/threonine kinase 10 (STK10). The crystal structure of SB-633825-bound STK10 has been deposited to the RSCB Protein Data Bank by the Structural Genomics Consortium (SGC- link here)." . "GSK1511931 is an investigational IGF-1R inhibitor ." . "GW853606 is an inhibitor of the polo-like kinase, PLK1 ." . "Compound 2 is an in vitro polo-like kinase inhibitor tool compound ." . "GSK312948 is an in vitro polo-like kinase inhibitor tool compound." . "HT1042 is reported to inhibit the β5i component of the 20S proteasome complex , which is constitutively expressed in dendritic cells and lymphocytes, and is induced in other cells by some cytokines to modulate antigen presentation . Inhibitors selective for this immune system-associated 20S proteasome complex are expected to provide novel and more selective anti-inflammatory leads, compared to the current broad-spectrum proteasome inhibitor used in the clinic." . "Compound 20 is reported as an inhibitor of the serine protease, granzyme B (GZMB) ." . "Ccl21a is a mouse CC chemokine with no human homolog. It is orthologous to human . This protein has serine at position 65 ." . "Ccl21b is a mouse CC chemokine with no human homolog. It is orthologous to human . This protein has leucine at position 65 ." . "Compound 51 is a hexapeptide which potently inhibits complement factor B ." . "The structure and function of M826 is reported by Han et al. (2005) . M826 inhibits the activity of human recombinant caspase in vitro." . "Compound 5 is reported to inhibit the serine protease, human kallikrein 6 . Kallikrein 6 inhibitors are being investigated for their potential therapeutic value in treating inflammatory demyelinating diseases such as multiple sclerosis (MS)." . "The discovery of SQ-24,798 is reported in , where it is shown to inhibit both the thrombin-activatable fibrinolysis inhibitor (TAFI, CPB2) and carboxypeptidase N (CPN)." . "UK-396,082 is reported as a selective inhibitor of human thrombin-activatable fibrinolysis inhibitor (TAFI, CPB2) with >1000-fold selectivity over carboxypeptidase N ." . "This peptide is a modified, and optimised analogue of , with an arginine mimetic at the P1 position (i.e. at the N-terminal arginine) ." . "Compound 8d is reported as the lead compound in a study to find inhibitors of the neuropeptidase glutamate carboxypeptidase II (GCPII, which is encoded by the FOLH1 gene) which have drug-like pharmacokinetic and pharmacodynamic properties, in particular having the ability to cross the blood-brain barrier . FOLH1 inhibitors have been investigated for their potential to treat conditions such as neuropathic and inflammatory pain, head injury, stroke, schizophrenia, diabetic neuropathy, prostate cancer, and neurodegenerative diseases." . "Compound 6 is reported to inhibit ubiquitin carboxyl-terminal esterase L3 (UCHL3) with >100-fold selectivity over the L2 isozyme (UCHL2) ." . "LDN-91946 selectively inhibits ubiquitin carboxyl-terminal esterase L1 (ubiquitin thiolesterase, UCHL1) ." . "Compound 12c is reported in a study to find small molecule inhibitors of ADAM17 (TNF α-converting enzyme, or TACE) ." . "Compound 10 was discovered in a study aiming to identify selective matrix metalloproteinase (MMP) inhibitors . Compound 10 is at least 100-fold selective for MMP11 compared to other MMPs tested." . "Compound 17 is reported from a structure-activity study to identify novel aminopeptidase inhibitors that improve antigen processing , principally by inhibiting the endoplasmic reticulum aminopeptidases, ERAP1 and ERAP2, as well as the insulin regulated aminopeptidase IRAP (LNPEP)." . "Vialinin A, a naturally ocurring compound extracted from the Chinese mushroom Thelephora vialis, is reported to inhibit ubiquitin-specific peptidases . Vialinin A exhibits a potent anti-inflammatory effect." . "Compound 5 is reported to inhibit the human airway trypsin-like protease HAT (TMPRSS11D) and the related transmembrane protease TMPRSS2 ." . "ANTAQ was developed as a probe to visualize puromycin-sensitive aminopeptidase (PSA, gene NPEPPS) in situ and acts as a selective PSA inhibitor." . "hK2p01 derivative KLK2 inhibitor is an 11 amino acid substrate competitive inhibitor with selectivity for human kallikrein-related peptidase 2 ." . "Compound 1 selectively inhibits endothelin-converting enzyme 2 ." . "Grassystatin A is a bioactive compound isolated from marine cyanobacteria. It is a potent and selective inhibitor of cathepsin E ." . "Compound 3 was developed as an inhibitor of the thrombin-activatable fibrinolysis inhibitor (plasma carboxypeptidase B2) ." . "S-BMPA is reported as the active enantiomer for inhibition of carboxypeptidase A ." . "Compound 9 selectively inhibits cytosolic aspartyl aminopeptidase (DNPEP) , relative to argininyl aminopeptidase (aminopeptidase B, RNPEP) and microsomal aminopeptidase N (ANPEP)." . "Finerenone (BAY 94-8862) is a next generation (first-in-class) oral, non-steroidal mineralocorticoid receptor antagonist which blocks the deleterious effects of aldosterone ." . "INCB3619 was developed as an ADAM10 inhibitor, but also markedly inhibits ADAM17, MMP12 and MMP15 ." . "IK-862 selectively inhibits TACE (ADAM17), with the closest off-target being ADAM33 ." . "Volanesorsen is an antisense oligonucleotide (ASO) designed to reduce levels of apolipoprotein C-III (APOC3) in patients with elevated blood triglyceride levels . Reducing triglycerides via APOC3 could be beneficial in patients with inherited hypertriglyceridemia (e.g. those with familial chylomicronemia syndrome, FCS) . The role of APOC3 in hypertriglyceridemia and the effects APOC3 ASO use are reviewed in .
HELM annotation for this RNA (from PubChem) is RNA1{[MOE](A).[sp][MOE](G).[sp][MOE]([5meC]).[sp][MOE](T).[sp][MOE](T).[sp][dR]([5meC]).[sp][dR](T).[sp][dR](T).[sp][dR](G).[sp][dR](T).[sp][dR]([5meC]).[sp][dR]([5meC]).[sp][dR](A).[sp][dR](G).[sp][dR]([5meC]).[sp][MOE](T).[sp][MOE](T).[sp][MOE](T).[sp][MOE](A).[sp][MOE](T)}$$$$." . "Compound 3 is reported as an irreversible pan-protein-arginine deiminase (PADI) inhibitor . Compound 3 is an analogue fragment of ." . "Streptonigrin is an antibacterial with anti-tumour effects ascribed to its substituted quinolinequinoic fragment . Streptonigrin is isolated from Streptomyces flocculus or S. rufochronmogenus. This compound is reported to be a selective inhibitor of protein-arginine deiminase type-IV (PADI4) .
The ChEMBL entry for streptonigrin (CHEMBL11417) represents an alternative tautomer to the structure shown here." . "Compound 14b is reported as an irreversible and selective inhibitor of protein arginine deiminase type III (PADI3) ." . "Cl-amidine is an inhihbitor of protein arginine deiminases (PADIs). Although reported to preferentially inhibit PADI1, isozyme selectivity is poor ." . "Margetuximab is a chimeric monoclonal antibody targeting epidermal growth factor receptor 2 (ERBB2).
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record. Peptide sequence search of patented sequences reveals a 100% match between the heavy chain variable domain of margetuximab and SEQ ID NO: 13 from patent US8802093 B2, and antibody clone ch4D5-FcMT3 . Although the patent describes performing Biacore assays to determine antibody-target (ERBB2) affinity, a KD value is not provided." . "A hydroxyethylamine transition-state mimetic inhibitor of BACE2 with a crystal structure. This compound was initially identified as a BACE1 inhibitor by Novartis . A series of analogues is specified in a Novartis patent but without activity data ." . "Idalopirdine is a serotonin 5-HT6 receptor antagonist ." . "Begelomab is an investigational murine monoclonal antibody targeting DPP4 (dipeptidyl-peptidase 4, a.k.a. CD26 T cell antigen).
Peptide sequence and structural information for begelomab is available from its IMGT/mAb-DB entry.
A search of patent literature reveals that the heavy chain variable region CDRs and light chain variable region CDRs of begelomab match sequences of anti-CD26 antibodies disclosed in FIG 2a of patent EP2767549 A1 ." . "Valbenazine is an analogue of , which similarly selectively inhibits the monoamine transporter SLC18A2 (VMAT2). A search of patent literature reveals valbenazine as example 2-1 in US8357697 B2 ." . "Evofosfamide is a hypoxia-activated prodrug being investigated as an antineoplastic therapeutic (compound 3b in ). This compound is related to . Being developed by Threshold Pharmaceuticals." . "TM-38837 is a cannabinoid CB1 receptor selective inverse agonist/antagonist . This compound has been designed to be peripherally restricted so as to avoid the severe CNS side effects (depression, anxiety and stress disorders) which lead to the withdrawl of , the first CB1 receptor antagonist to receive marketing approval. TM-38837 has been investigated as a treatment for obesity and metabolic disorders." . "Tipracil is a a uracil derivative that inhibits thymidine phosphorylase (TYMP, P19971; a.k.a. platelet-derived endothelial cell growth factor), an enzyme which metabolises trifluridine.
TAS-102 contains tipracil as the hydrochloride salt (PubChem CID 9903778).

SARS-CoV-2: Tipracil has been shown to bind to the uridine-specific endoribonuclease Nsp15 of SARS-CoV-2, and this interaction inhibits the enzyme's uridine-degrading catalytic activity ." . "Trifluridine was originally approved by the US FDA in 1980, and was used for its antiviral effects (marketed as Vitroptic®). The drug is now being investigated for its antineoplastic (cytotoxic) effect." . "This lead BACE1 inhibitor from Merck comes from the same paper that includes ." . "This is a new INN/USAN for a Merck BACE1 inhibitor for clinical trials in Alzheimer's disease (AD). Despite some early confusion surrounding the relationship between MK-8931, SCH 900931 and verubecestat, the article published by Scott et al. (2016) formally acknowledges verubecestat as MK-8931 .
Despite reaching Phase 3 clinical trial, Merck has announced (Feb 2017: Merck press release) termination of study NCT01739348 (in patients with mild-moderate AD) because they concluded there was no chance of achieving efficacy. This is the latest of a long list of BACE1 inhibitors to fail in AD. Papers reporting trial outcomes were published in May 2018 and April 2019 ." . "Tirotundin is a plant-derived sesquiterpene lactone isolated from Tithonia rotundifolia, which acts a dual activator of PPARα and PPARγ . This is one of the active components found in Chinese traditional medicines used to treat diabetes and hepatitis. Activation of PPARγ is responsible for the compound's anti-diabetic effect. Tirotundin-induced activation of PPARα may improve dyslipidemia." . "Tagitinin A is a plant-derived sesquiterpene lactone isolated from Tithonia rotundifolia, which acts a dual activator of PPARα and PPARγ . This is one of the active components found in Chinese traditional medicines used to treat diabetes and hepatitis. Activation of PPARγ is responsible for the compound's anti-diabetic effect. Concomitant activation of PPARα may improve dyslipidemia." . "This is an orally available, deuterated analogue of which can be administered in lower doses and in a simplified dosing regimen. Deutetrabenazine is the first ever deuterated drug to be approved.

In drug discovery, replacing hydrogen atoms in drug compounds with deuterium (deuteration) is a technique employed to inhibit degradation of the drug and its active metabolites. The presence of the deuterium atoms attenuates CYP2D6-driven metabolic breakdown of the compound. This effects an increase in circulating half-lives and improves the duration of therapeutic effect and decreases the dose required to achieve therapeutic concentration ." . "Gilteritinib is an orally bioavailable inhibitor of the receptor tyrosine kinases (RTKs) FMS-related tyrosine kinase 3 (FLT3), AXL and anaplastic lymphoma kinase (ALK) , with clinical antineoplastic activity. Gilteritinib inhibits the activity of FLT3-activating mutations which are one of the most common genetic alterations in acute myeloid leukemia (AML).

SARS-CoV-2: AXL is a kinase upstream of p38 MAP kinases. p38 activity has been reported to be upregulated following SARS-CoV-2 infection of host cells in vitro, and gilteritinib produces an antiviral effect (IC50= 807 nM) ." . "Ozanimod (RPC1063) is a novel, orally available, specific and potent agonist of the sphingosine 1-phosphate 1 receptor (S1P1R) and SIP5Rs . Ozanimod is compound 86 in patent US20110172202 A1 , which specifies the (S)-enantiomer.
Ozanimod reduces chronic inflammation and alleviates kidney pathology in a mouse model of systemic lupus erythematosus (SLE), which suggests that ozanimod may offer clinical benefit as a SLE therapeutic ." . "Pexidartinib is an orally available, multi-targeted inhibitor of the receptor tyrosine kinases, Fms-related tyrosine kinase 3 (FLT3), stem cell growth factor receptor (KIT) and colony stimulating factor 1 receptor (CSF1R), with potential antineoplastic activity . Pexidartinib is compound P-0181 in patent US7893075 B2 .
It is active against wild type FLT3 and the FLT3 gatekeeper F691L resistance mutant, but its activity is vulnerable to mutations in the FLT3 activation loop ." . "Tesidolumab is a fully human monoclonal antibody targeting complement C5. Like , this investigational monoclonal inhibits terminal complement activation.
Peptide sequence and secondary structural information for this antibody are available from its IMGT/mAb-DB record.
Peptide sequence alignment analysis using the heavy and light variable domains of tesidolumab provide 100% matches to SEQ ID NOs 7 and 8 respectively from patent US8241628 . These peptide sequences correspond to antibody (MOR0)8109 in said patent." . "This is the full length, pre-pro-protein structure as represented in NCBI Reference Sequence: NP_001726. This peptide is cleaved into the complement C5 beta chain, complement C5 alpha chain and C5a anaphylatoxin (see the UniProt entry for the human protein P01031).

C5 inhibition is a clinically validated mechanism that is utilised for the control and suppression of complement-induced hemolysis in patients with paroxysmal nocturnal hemoglobinuria (PNH). is a clinically approved anti-C5 monoclonal antibody for PNH. Investigational Phase 1/2 anti-C5 monoclonal RG6101 (SKY59 ; IMGT 783) was granted FDA orphan drug designation in September 2017 for the treatment of paroxysmal nocturnal hemoglobinuria (PNH). Ra Pharmaceuticals is developing a C5 binding synthetic 15-amino-acid macrocyclic peptide (designated research code RA101495; Phase 2) for PNH and other complement-mediated illnesses. RA101495 was granted FDA orphan drug designation for PNH in July 2017. RA101495 binds to a site on C5 distinct from the binding site, with the aim of overcoming eculizumab resistance, such as that observed in patients with the Arg885His C5 variant (note that RA101495 is also effective against this variant ). It is also designed for subcutaneous self-administration, which would be more convenient for patients, who must be given eculizumab by i.v. infusion by a healthcare professional.

SARS-CoV-2 and COVID-19: Clinically approved and investigation candidates that target C5 are being evaluated in a number of clinical trials to determine their potential to combat complement-mediated inflammatory tissue damage in the organs of pateints with severe COVID-19." . "Brolucizumab is a single-chain variable fragment (scFv) anti-VEGF antibody targeting vascular endothelial growth factor A (). This immunobinder was derived from a humanised anti-VEGFA rabbit monoclonal .
Peptide sequence and secondary structural information are available from brolucizumab's IMGT/mAb-DB record.
Peptide sequence alignment analysis of patented peptide sequences using the heavy chain variable region of brolucizumab identifies a 100% match with SEQ ID NO: 164 in patent US8349322 B2 .

Following regulatory approval brolucizumab took its place as a wet age-related macular degeneraton therapy alongside (Eylea®) and (Lucentis®), which were previously the main drugs used for this indication. However, with patent protection for both of these older dugs due to expire in the next 2-5 years , brolucizumab will likely face competition from aflibercept and ranibizumab biosimilars." . "Dectrekumab is a fully human investigational anti-interleukin 13 () monoclonal antibody, with anti-inflammatory potential.
Peptide sequence and secondary structural information are available from dectrekumab's IMGT/mAb-DB record.
Peptide sequences for the heavy and light chains of dectrekumab match those provided in patent US8992916 B2 for clone 01951/G12 ." . "Elgemtumab is a fully human anti-ERBB3 (HER3) investigational monoclonal antibody, with antineoplastic potential.
Peptide sequence and structural information for this antibody are available from its IMGT/mAb-db record.
Protein BLAST alignment reveals that 100% matched peptide sequences for elgemtumab are contained in patent US8735551 B2 ." . "ANGPTL3 is prodominantly secreted in the liver, and has a pro-angiogenic function. The mature peptide is 444 amino acids long, and can be cleaved to form two functionally different sub-peptides: an N-terminal coiled-coil domain-containing chain (involved in lipid metabolism) and a C-terminal fibrinogen chain (angiogenic function)." . "Evinacumab is a fully human monoclonal antibody targeting (ANGPTL3). Due to its role in lipid metabolism, ANGPTL3 is being investigated as a potential molecular target for the treatment of hypertriglyceridemia.
Peptide sequence and structural information for this antibody are available from its IMGT/mAb-db record.
A BLAST search of patented peptide sequences reveals that the heavy chain variable domain of evinacumab is identical to SEQ ID: NO 66 from patent US9018356 B2 , and the light chain variable region is identical to SEQ ID: NO 74 from the same patent (this heavy/light chain combination corresponds to antibody identifier H4H1276S).

Evinacumab utilises a different molecular mechanism compared to Regeneron's already approved anti-hyperlipidemic drug (targets proprotein convertase subtilisin/kexin type 9)." . "Indusatumab vedotin was a clinical lead antibody-drug conjugate (ADC). It comprises an anti-guanylate cyclase 2C (GUCY2C) antibody linked to the synthetic antineoplastic toxin monomethyl auristatin E (MMAE, aka vedotin; PubChem CID 11542188).
Peptide sequence information for this antibody is available from its IMGT/mAb-DB record.
A BLAST search of patented peptide sequences reveals that the heavy and light chain variable regions of indusatumab are identical to SEQ ID NO: 18 and SEQ ID NO: 20 respectively, from patent US8785600 B2 . The patent also describes the toxin conjugation methodology." . "Isatuximab is an anti-CD38 monoclonal antibody that was designed for anti-tumour potential .
A patent search identifies the peptide sequences of the light and heavy chain variable regions of isatuximab as SEQ ID NO: 22 and SEQ ID NO: 21 from patent US 8877899 B2 (and equates to Ref mAB5 in the patent document). This patent further refers these sequences to WO2008047242 A8, but neither this or any associated patent (eg US20110262454 A1) provide peptide sequences to allow identification of isatuximab therein. The most likely patent defined embodiment being isatuximab is hu38SB19 ." . "Compound 19 is one of the most potent phosphodiesterase 10A inhibitors developed in a SAR study to identify PDE10 inhibitors as potential schizophrenia pharmaceuticals " . "Nemolizumab is an investigational monoclonal targeting the α subunit of the IL-31 receptor. Nemolizumab has been designed for treating or preventing inflammatory diseases .
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record.
BLAST peptide analysis of patented peptide sequences reveals that the heavy and light variable domains of nemolizumab are identical to SEQ ID NO: 210 and SEQ ID NO: 220 respectively, in patent US8575317 B2 . This combination of peptides corresponds to one of the preferred antibodies, designated as H44L17 therein." . "CCG-4986 is a small molecule allosteric inhibitor of the regulator of G-protein signaling 4 (RGS4) protein ." . "YJ34 is a peptide inhibitor of the regulator of G-protein signaling 4 (RGS4) protein ." . "5nd is a peptide inhibitor of the regulator of G-protein signaling 4 (RGS4) peortein ." . "CCG-63802 is a small molecule, allosteric inhibitor of the regulator of G-protein signaling 4 (RGS4) protein ." . "CCG-63808 is an allosteric, small molecule inhibitor of the regulator of G-protein signaling 4 (RGS4) protein ." . "This compound is a small molecule, reversible inhibitor of the regulator of G-protein signaling 4 (RGS4) protein." . "This compound is a small molecule, reversible inhibitor of the regulator of G-protein signaling 4 (RGS4) protein." . "This compound is a small molecule, reversible inhibitor of the regulator of G-protein signaling 4 (RGS4) protein." . "This compound is a small molecule, reversible inhibitor of the regulator of G-protein signaling 4 (RGS4) protein." . "Landogrozumab is an investigational anti-myostatin, humanized, monoclonal antibody.
Peptide sequences and structural information for this antibody are available from its IMGT/mAb-DB record.
A BLAST protein search using the light and heavy chain variable regions of landogrozumab, identifies 100% matches with sequences patented in US7632499 B2 , and point towards clone 3-74/C1E4, as a preferred embodiment, taken forward for further anaylsis." . "Avelumab is a programmed death-ligand 1 (PD-L1; CD274) blocking human IgG1 lambda monoclonal antibody . It is the first drug approved for the treatment of Merkel cell carcinoma (MCC).
Peptide sequence and structural information for this antibody are available from its IMGT/mAb-db record." . "Resokine is a 60 amino acid fragment of the N-terminal of human histidyl-tRNA synthetase (cytoplasmic isoform 1) (HARS; P12081) . HARS belongs to a novel group of naturally occurring proteins termed 'physiocrines' which are extracellular signaling regions of tRNA synthetases reported to modulate immune system pathways. Physiocrines are of interest to the pharmaceutical industry as molecular targets for immunomodulatory therapies (see patents WO2013123432 A2 and US20150093799 A1 for further details )." . "Compound 26 was developed in a study to discover novel inhibitors of the constitutively active V600E mutant BRAF kinase ." . "IGN523 is a humanized anti-CD98 (SLC3A2) monoclonal antibody being investigated as a potential therapy for acute myeloid leukemia (AML) ." . "aTyr 1940 is a recombinant 506 amino acid version of human histidyl-tRNA synthetase (cytoplasmic isoform 1) (HARS; P12081) . HARS belongs to a novel group of naturally occurring proteins termed 'physiocrines' which are extracellular signaling regions of tRNA synthetases reported to modulate immune system pathways. Physiocrines are of interest to the pharmaceutical industry as molecular targets for immunomodulatory therapies (see patents WO2013123432 A2 and US20150093799 A1 for further details ). See also , a shorter variant of aTyr 1940." . "Oprozomib is an orally bioavailable derivative of , with similar biological action, i.e. inhibition of the chymotrypsin-like activity (a.k.a. β5 activity) of the proteasome . This is compound 58 in ." . "Omecamtiv mecarbil is an investigational small molecule which is a direct activator of cardiac myosin . This compound is being investigated as a novel therapy for patients with chronic heart failure due to systolic dysfunction. Results from the first-in-man study are reported by Teerlink et al. (2011) .
Omecamtiv mecarbil is claimed in patent US7507735 B2 ." . "Compound 5k is one of the most potent compounds reported in a series designed to identify fatty acid transport protein 1 (SLC27A1) inhibitors . Compound 5k also has favourable pharmacokinetic properties." . "Resveratrol is a natural product found in the skins of grapes and some other berries used predominantly as an antioxidant dietery supplement . The compound exists as a mixture of trans- (shown here) and cis- (PubChem CID 1548910) conformations. Resveratrol has been investigated for its various roles in complex biological processes . It has some activity as a cyclooxygenase inhibitor/antiinflammatory agent." . "VS-4718 is an investigational, potent, reversible and orally active inhibitor of focal adhesion kinase (FAK; PTK2) . FAK inhibitors are being investigated for their anti-cancer effects due to the association of increased FAK expression with tumor progression, and the links between integrins and FAK in the adhesion pathways ." . "This is the most potent in vitro inhibitor of eukaryotic elongation factor 2 kinase (EEF2K) reported in ." . "Compound 6a inhibits the demethylase activity of lysine (K)-specific demethylase 4E (KDM4E, a.k.a. JMJD2E) and lysine (K)-specific demethylase 4A (KDM4A, a.k.a. JMJD2A) ." . "Compound 3 is reported as a thiazolidinedione analogue inhibitor of 15-hydroxyprostaglandin dehydrogenase (HPGD) . This compound is also example 11 in patent US8637558 B2, which describes its use for the prevention or treatment of cardiovascular disease, gastrointestinal disease, renal disease and other conditions by increasing prostaglandin levels via inhibition of HPGD-induced prostaglandin metabolism ." . "An extract of the Rauwolfia serpentina plant (Indian snakeroot). Structurally related to ." . "Compound 3 potently binds cytochrome P450 2C9 ." . "L-NNA is an arginine analogue used as a biochemical tool in the study of nitric oxide and its biological effects. L-NNA inhibits the endothelial and neuronal isoforms of nitric oxide synthase (NOS), eNOS and nNOS respectively more potently than the inducible iNOS .
Selective nNOS inhibitors are being pursued for their potential to treat neurological disorders caused by excessive production of nitric oxide." . "Dup-714 is a small molecule thrombin inhibitor and as such is an antithrombotic agent . Galemmo et al. (1996) describe the development of novel antithrombotic compounds based on this structure ." . "Compound 44 is one of the lead discovery compounds reported as potent inhibitors of prostaglandin E synthase (mPGES1, PTGES) ." . "WP814 is with the cysteinyl moiety of reduced glutathione (GSH) linked at the C-14 position . WP814 potently inhibits leukotriene C4 transport via the human multidrug resistance-associated protein 1 (ABCC1) in vitro." . "Compound 8 is reported in as an inhibitor of mitogen-activated protein kinase-activated protein kinase 2 (MK-2; MAPKAPK2). Montagnoli et al. (2008) report the antitumour activity of this compound ." . "compound 28xvii is reported in as an inhibitor of secretory phospholopase A2 (sPLA2)." . "ML337 is reported as a selective, brain penetrant, negative allosteric modulator of the metabotropic glutamate receptor mGlu3 ." . " is the most potent mammalian estrogenic steroid. This is the sulphated form of that compound." . "JNJ-63533054 is a small molecule agonist of GPR139 . It is orally bioavailable and can cross the blood-brain barrier . It is a surrogate ligand that can be used to examine GPR139 function in the absence of a validated endogenous ligand.
Both PubChem (CID 4879329) and ChEMBL (CHEMBL1509813) record this compound with no specified stereochemistry.
Patent WO2014152917 A2 describes the search for physiological ligands for GPR139 ." . "This is the unlabeled version of ." . "Compound 38 was developed as an Aurora kinase inhibitor and was investigated for its antitumour activity ." . "Tolfenamic acid is a non-steroidal anti-inflammatory drug (NSAID) with analgesic, antipyretic and anti-inflammatory actions ." . "Illudalic acid selectively inhibits protein tyrosine phosphatase RTP Type F (LAR; PTPRF) ." . "Compound 57 inhibits human cytosolic phospholipase A2α (PLA2G4A) ." . "This Nrf2 peptide displaces the longer labeled Nrf2 mimetic peptide NH2-LQLDEETGEFLPIQGK(MR121)-OH from the central cavity of the Kelch-DC domain at the C-terminus of Keap1 (Kelch-like ECH-associated protein 1; KEAP1) . This article by Marcotte et al. (2013) also describes small molecule inhibitors of the Nrf2-Keap1 interaction e.g. Cpd16 (PubChem CID 1073725) binds Keap1 Kelch-DC with an IC50 of 2.7 µM ." . "Compound 45 is the highest affinity ligand identified in three series of forskolin analogues synthesised to assess SAR for adenylyl cyclase isoforms ." . "LP-360924 is reported as a surrogate agonist of GPR139 . LP-360924 and the GPR139 antagonist are useful tool compounds for further investigation of GPR139 function." . "LP-471756 is reported as an antagonist of GPR139 . LP-471756 and the GPR139 agonist are useful tool compounds for further investigation of GPR139 function." . "NCRW0005-F05 is the highest affinity antagonist of GPR139 identified from a high-throughput screening study ." . "PAK-104P is reported to inhibit the activity of the canalicular multispecific organic anion transporter 1 (cMOAT, ABCC2) ." . "Compound 51 was tested in a study to identify DP2 prostanoid receptor antagonists . The inhibitory action of the compound on cytochrome P450 enzymes was tested as a predictor of metabolic stability." . "Compound 17 is one of a number of pan SIRT1/2/3 inhibitors identified in ." . "Compound 10h is a potent inhibitor of malonyl-CoA decarboxylase . Such compounds are predicted to have anti-obesity and anti-diabetic activities." . "Compound 8e inhibits sentrin/SUMO-specific peptidase 1 (SENP1) ." . "FIPI is a phospholipase D1/D2 inhibitor . Suppresses membrane ruffling." . "Compound 69 is a phospholipase D inhibitor with approximately 20-fold selectivity for PLD1 over PLD2 ." . "Compound 1l potently inhibits the fatty acid transport protein 4 (SLC27A4) ." . "SGI-1776 is a pan PIM kinase inhibitor that was developed for potential antineoplastic activity ." . "Compound 7 is reported as a tyrosinase inhibitor ." . "The development of compound 13e is reported in . This compound inhibits the endothelially expressed receptor tyrosine phosphatase HPTPβ (PTPRB)." . "Compound 12e is one of the structures tested as an inhibitor of mammalian secreted phospholipases A2 ." . "HM50316 is a potent and selective inhibitor of human adipocyte fatty acid-binding protein ." . "Chrysin is a dietary flavinoid. It is reported to inhibit the EROD (7-ethoxyresorufin-O-deethylase) activity of the extrahepatic cytochrome P450 enzymes CYP1A1 and CYP1B1 . The compound also has antibacterial activity against Gram-negative Helicobacter pylori and is reported to inhibit H. pylori HsrA (homeostatic stress regulator) ." . "Compound 5 inhibits the activity of the cytochrome P450 enzyme CYP26A1, with selectivity against the other CYPs tested ." . "Compound 33 is reported as a GPR142 agonist and provides evidence to support the hypothesis that GPR142 agonists act as insulin secretagogues, which could eventually lead to the discovery of novel treatments for type 2 diabetes mellitus ." . "A1120 is reported as a potent non-retinoid inhibitor of plasma retinol-binding protein RBP4 ." . "Compound 53 was developed as a drug-like inhibitor of phosphodiesterase 5 (PDE5) ." . "SAR260301 (compound 28 [PMID: 24387221]) was reported in a discovery effort to optimize pyrimidone indoline amide inhibitors of PI3Kβ . It is an orally bioavailable compound that is selective for PI3Kβ over other PI3 kinases." . "Compound 1b is reported to inhibit the cholesterol biosynthesic activity of squalene epoxidase (SQLE) in human HepG2 ." . "Compound 7p was developed as one in series of compounds with the aim of identifying dual-acting thromboxane receptor antagonist/synthase inhibitors . In fact compound 7p shows selectivity for prostaglandin I2 synthase (PTGIS, CYP8A1) over thromboxane synthase (CYP5A1)." . "Compound 6ee is reported from a SAR exploration to identify pan-hypoxia-Inducible factor prolyl hydroxylase 1-3 (HIF PHD1-3) inhibitors with drug-like properties as potential anti-anemia therapeutics ." . "Compound 13 is reported as a potent inhibitor of both muscle and adipocyte fatty acid binding proteins (FABP3 and FABP4 respectively) ." . "Cefalotin is a semisynthetic, first generation cephalosporin belonging to the β-lactam class of antibacterial compounds ." . "Azalanstat (as compound 1) is reported as a competitive inhibitor of mammalian lanosterol 14-α-demethylase (CYP51A1) ." . "Apstatin is a tri-peptide-like inhibitor of membrane bound aminopeptidase P (mAPP; XPNPEP2) , which inhibits mAPP-induced degradation of bradykinin ." . "Ritonavir is an orally bioavailable antiviral that is generally administered in combination with other anti-HIV or anti-HCV drugs." . "Compound 82 is reported as a pan inhibitor of type I PI3 kinases (PI3Kα/β/γ/δ), with dual activity as a mTOR inhibitor ." . "A1P is reported as an inhibitor of human arginase 1 ." . "Compound 2 is one of a series of compounds investigated as inhibitors of choline O-acetyltransferase (CHAT, a.k.a. choline acetyltransferase) , in the search for compounds with the ability to provide protection against nerve agent poisoning." . "Compound 13b is one of a series of experimantal compounds tested as KATP channel openers , with the aim of discovering leads structures which could be developed in to drugs to treat urge urinary incontinence (overactive bladder). Functional KATP channels in the smooth muscle of the bladder are complexes of the sulfonylurea receptor 2 (SUR2; ABCC9) and the inwardly rectifying potassium channel subunit (Kir6.2; KCNJ11)." . "Compound 6b was designed to inhibit ferrous ion transport via the divalent metal transporter 1 (DMT1; SLC11A2) ." . "Compound 3 resulted from a SAR study to identify aminoadipate aminotransferase (KATII; AADAT; Q8N5Z0) inhibitors as potential therapeutics for the treatment of psychiatric and neurological disorders ." . "AKK(thioAc)LM21 (compound 3 in ) is the most potent inhibitor of the deacetylase activity of SIRT6 reported in ." . "D-e-MAPP is an inhibitor of alkaline ceramidase activity ." . "7ACC2 is a lead entity identified as an inhibitor of lactate transport (uptake) mediated by the monocarboxylate transporter 4 (MCT4, SLC16A3) . It is hypothesised that inhibition of lactate flux in cancer cells will have a cytotoxic effect, by limiting their ability to fuel the TCA cycle." . "Compound 3a is a vitamin D analogue designed to be a less calcemic inhibitor of cytochrome P450 enyme CYP24A1 . CYP24A1 regulates vitamin D levels and calcium homeostasis by initiating the degradation of physiologically active 1,25-dihydroxyvitamin D3 ." . "CCT129957 is one of the hit PLCγ2 inhibitors verified experimentally, following a virtual HTS effort ." . "MT47-100 modulates activity of the AMP-activated protein kinase (AMPK). The direction of modulation depends on the subunit composition of the enzyme. MT47-100 acts as a direct activator of β1 subunit-containing AMPK, and as an allosteric inhibitor of β2 subunit-containing AMPK ." . "TGN4 is a analogue designed as an allosteric inhibitor of the sarcoplasmic/endoplasmic reticulum calcium-ATPase (SERCA) . Like thapsigargin, TGN4 disrupts calcium transport by binding to a hydrophobic pocket located in the transmembrane region of SERCA." . "Compound 2 is an inhibitor of the NAD+-dependent histone deacetylase, sirtuin 5 (SIRT5) ." . "Compound 50 was identified in a study designed to find inhibitors of BET bromodomains in proteins outside of the BET subfamily . Compound 50 inhibits BET domain activity in several enzymes including cat eye syndrome chromosome region, candidate 2 (CECR2), CREB binding protein (CREBBP) and bromodomain containing 9 (BRD9)." . "Compound III is a survivin (BIRC5) inhibitor such as reported in patent US20110014192 A1 . Compound III is a potential nordihydroguaiaretic acid (NDGA)-based anti-neoplastic agent ." . "Disprocynium24 inhibits extraneuronal monoamine transport, facilitated by the organic cation transporter 3 (OCT3; SLC22A3) ." . "Compound 11j is reported as one of the lead compounds in the search for selective inhibitors of human SMG1 kinase (SMG1 phosphatidylinositol 3-kinase-related kinase) ." . "Compound 7b is the most potent inhibitor of membrane-bound transcription factor peptidase, site 1 (MBTPS1) reported in . PF-429242 (compound 1u; PubChem CID 23661637) is also reported, and although this has lower potency against enzyme activity it has favourble drug-like qualities and is active in vivo ." . "Compound 2 is a analogue, with inhibitory activity against the human ATP binding cassette (ABC) transporter ABCC5 , a protein which reportedly transports cGMP out of cells ." . "Torin 2 is reported as a potent and selective inhibitor of the serine/threonine kinase, mTOR (mechanistic target of rapamycin) ." . "Compound 2a is an inhibitor of human dimethylarginine dimethylaminohydrolase 1 (DDAH1), reported in . However, a lack of selectivity of 2a over NOSs activity, limits its clinical utility. Compound 3a (PubChem CID 11413609) is identified as the most useful human DDAH1 inhibitor in this series as it exhibits little inhibition of NOS enzyme activity." . "Compound 1 is reported to inhibit receptor protein tyrosine phosphatase γ (RPTPγ; PTPRG) ." . "This compound is a analogue. It is reported as a useful tool compound (pharmacological inhibitor) for investigating the function of human cytochrome P450 2J2 ." . "Compound 9 is one of the sulfaphenazole derivatives designed in a study to identify selective inhibitors for cytochrome P450 enzymes of the 2C subfamily ." . "Compound D24 is the most potent inhibitor of sphingomyelin synthase 2 (SMS2; SGMS2) reported in ." . "Compound 1j is the most potent inhibitor of sphingomyelin synthase 1 (SMS1; SGMS1) reported in ." . "PP1 is a multi-kinase inhibitor." . "Compound 16 is the highest potency inhibitor of the human concentrative nucleoside transporter 3 (CNT3; SLC28A3) reported in ." . "Compound 10 is one of the most potent inhibitors of SHP (NR0B2) reported in ." . "Compound 7a is reported as an agonist of the orphan GPCR, GPR52 ." . "Compound 5 is a pentacyclic triterpene ester isolated from Uncaria rhynchophylla, a plant used in traditional medicine by various indigenous cultures. Compound 5 is reported to inhibit phospholipase C-gamma 1 (PLCG1) ." . "Compound 5 is a non-hydrolysable phosphorothioates analogue of inositol phosphate 3 (IP3) . As such this compound would be expected to behave as a substrate for IP3 metabolising inositol polyphosphate-5-phosphatase enzymes, with a negative effect on enzyme activity, and effect sustained release of intracellular calcium.
Note that we show the sugar moiety without stereochemistry." . "S-4048 is a chlorogenic acid (PubChem CID 1794427) derivative which acts as a very potent inhibitor of glucose-6-phosphate translocase (G6P T1; SLC37A4). SLC37A4 acts as a gatekeeper to transport glucose 6-phosphate into the endoplasmic reticulum and therefore plays an important role in the regulation of blood glucose levels." . "CGS-27023A is reported as a potent pan-inhibitor of matrix metalloproteinases .
Note that CGS-27023A imay be used experimentally as the hydrochloride salt (PubChem CID 9888897)." . "This compound is an analogue of N-palmitoylsphingosine-1-phosphate and it inhibits neutral sphingomyelinase in vitro ." . "SCH-900229 is a presinilin (PS) inhibitor ." . "Peptide ligand 2 has amino acid sequence cdGTyr(3-NO2)GBNc, where B=hydroxyproline ." . "Compound 33 was developed in a study to identify anti-parasitic compounds which are inhibitors of Trypanosomal cysteine proteases . The lead compounds were tetsed against a panel of human proteases to assess selectivity." . "Compound 7b was identified in a screening study to find inhibitors of the non-receptor type tyrosine phosphatase PTP1B (HGNC gene symbol PTPN1) . PTPN1 inhibitors have been scrutinised for anti-type 2 diabetes potential." . "17-octadecynoic acid inhibits activity of the leukotriene B4 (LTB4) ω-hydroxylase (CYP4F2) ." . "Compound 4d is one of a series of compounds designed to identify inhibitors of CYP24A1, an enzyme which metabolises (calcitriol), but in fact exhibits preferential inhibition of the sterol 27-hydroxylase enzyme, CYP27A1 ." . "Yzm18 is an inhibitor of the threonine aspartase, taspase 1 (TASP1), with its structure based on that of the preferred enzyme cleavage site Ac-Ile-Ser-Gln-Leu-Asp." . "Combretastatin A4 is the active metabolite of 8857. Combretastatin A4 interacts with the colchicine binding site of tubulin, which primarily resides within the β-tubulin subunit, at its interface with the α-subunit . The compound has antineoplastic activity, inhibiting microtubule polymerization, and causing mitotic arrest and apoptosis, particularly targeting the tumour vasculature ." . "SM-122 is an inhibitor of the inhibitor of apoptosis proteins (IAPs) ." . "Compound 39 is reported as a selective inhibitor of microsomal prostaglandin E2 synthase-1 (mPGES1; PTGES) . The compound was screened against other prostaglandin/leukotriene synthetic enzymes to assess selectivity." . "Compound 8a was designed as a small-molecule inhibitor of the lymphoid-specific non-receptor tyrosine phosphatase, LYP (PTPN22) . PTPN22 directly dephosphorylates several kinase enzymes, effecting negative regulation of T-cell receptor (TCR) signaling , and is implicated in autoimmune diseases ." . "Fosbretabulin is being investigated for anti-tumour potential. It interferes with vascularisation by preventing tubulin-polymerisation and disrupting cell junctions . This action destroys tumour vasculature and leads to cancer cell death and necrosis. Mechanistically, fosbretabulin is dephosphorylated to the active tubulin polymerisation inhibitor . The compound was originally isolated from the African bush willow (Combretum caffrum) ." . "Inhibitor of cystathionine γ-lyase (CSE)." . "Inhibitor of cystathionine γ-lyase (CSE). This compound is commonly used as its hydrochloride salt, AVG-HCl (PubChem CID 16211101)." . "This is a mastoparan (PubChem CID 6324633) type peptide toxin isolated from the venom of the Brazilian wasp, Polybia paulista, with reported antimicrobial and anti-cancer effects . The N-terminal aspartic acid residue at position 2 of this peptide is important for the peptide's interaction with anionic vesicles in vitro ." . "MS363 is one of the lead compounds identified using a structure-guided design approach to discover inhibitors for the BET bromodomains, with highest affinity for the bromodomains of BRD3 and BRD4 ." . "BLU-9931 is a selective and irreversible (covalent) inhibitor of the receptor tyrosine kinase, fibroblast growth factor receptor 4 (FGFR4) . The compound is being investigated for its anti-tumour action in hepatocellular carcinomas (HCC) where the fibroblast growth factor 19 (FGF19)/FGFR4 signaling pathway is activated by genetic alteration." . "Dubermatinib (TP-0903) is an inhibitor of the TAM family receptor tyrosine kinase AXL and it is being investigated for its antineoplastic activity , in particular against pancreatic cancer and lymphocytic leukemias (in combination with or other antineoplastic drugs)." . "NOP receptor agonist." . "PWT2-N/OFQ was generated using a novel technology termed 'peptide welding' (PWT) . In this instance nociceptin and orphanin FQ peptides are welded onto a Cyclam core molecule, the complete structure of which is shown in ." . "This compound is a novel benzenoid opioid analgesic , being assessed in clinical trials for various acute and chronic pain conditions. The compound is non-selective, acting at more than one member of the opioid receptor family ." . "SR16835 is an experimental NOP receptor agonist, with low-affinity bifunctional activity at the μ opioid receptor." . "SCH221510 is a novel piperidine type, orally active nociceptin opioid (NOP) receptor agonist ." . "SCH486757 is a preclinical nociceptin/orphanin FQ peptide (NOP) receptor agonist , with cough suppressing (antitussive) activity." . "P6949 is a arylstibonate compound designed to inhibit Cdc25a (CDC25A; P30304) and Cdc25b (CDC25B; P30305) phosphatase activity . It also inhibits protein tyrosine phosphatase PTP-β (PTPRB, P23467) by ≥90%." . "AS1949490 is a small molecule inhibitor of SH2 domain-containing inositol 5'-phosphatase 2 (SHIP2, a.k.a. inositol polyphosphate phosphatase-like 1, with gene symbol INPPL1) which can be used as a tool compound to elucidate the normal and pathophysiological roles of SHIP2." . "RBM2-1B is the most potent inhibitor of dihydroceramide desaturase 1 (DES1; official gene name delta(4)-desaturase, sphingolipid 1, DEGS1) reported in ." . "Compound IU1 is a reversible, small molecule inhibitor, discovered in a high-throughput study to identify inhibitors of the human proteasome-associated deubiquitinating enzyme USP14 . Based on in vitro and in vivo results, the authors hypothesise that inhibition of USP14 may protect cells from the toxic effects of oxidised proteins produced in cells experiencing oxidative stress and that this may be a useful strategy for limiting the damaging effects of certain proteasome substrates associated with neurodegenerative diseases." . "Compound 1a is reported as a small molecule inhibitor of human urea transport protein, UTB (SLC14A1) and may exemplify compounds with a novel diuretic mechanism of action ." . "Enoxacin was developed as a oral broad-spectrum fluoroquinolone antibacterial for the treatment of urinary tract infections and gonorrhea.
Enoxacin has been reported as an inhibitor of the interaction between the B2 subunit of vacuolar H+-ATPase (ATP6V1B2) and microfilaments , an interaction required for translocation of the ATPase to the plasma membrane. This process effects activation of osteoclasts and regulates bone resorption, making this interaction a novel target for pharmaceutical intervention to reduce the pathologies associated with bone-loss condtions ." . "PhTX-11 is reported as a potent noncompetitive antagonist of nicotinic acetylcholine receptors containing the δ subunit ." . "Compound 19 is reported as an inhibitor of topoisomerase I ." . "Compound 21 is reported as aSpirolactam-based lead compound inhibitor of acetyl-CoA carboxylase (ACC), inhibiting both ACC1 and ACC2 . Although not the most potent inhibitor in the series, compound 21 was progressed to preclinical studies based on its selectivity profile and favourable pharmacokinetic properties." . "Compound 30 acts as a negative allosteric modulator of GLUT1-mediated glucose import in to tumour cells (LNCaP cells) and this effects apoptotic cell death ." . "Compound 8 is the most potent N-methyl-D-aspartate receptor antagonist reported in . The compound is likely to bind to the glycine binding site of the GluN1 component of the receptor." . "ML130 is reported as a selective inhibitor of the pattern recognition receptor, NOD1 (nucleotide-binding oligomerization domain containing 1) ." . "This is a dye-labelled Toll-like receptor 2 agonist, designed for targeted pancreatic cancer imaging . The unlabelled compound (10; PubChem CID 71451937) has potential immunotherapeutic action." . "SC-67655 is a pentapeptide designed as an immunomodulatory agent with potential to treat rheumatiod arthritis ." . "Compound 9 is an analogue of aminopterin (the 4-amino derivative of folic acid; PubChem CID 2154; related to ), but with a rotationally restricted side chain amide bond. Compound 9 manifests antifolate activity in vitro, achieved by inhibiting both dihydrofolate reductase (DHFR) and folate transporter 1 (reduced folate carrier) activities ." . "SGI-1027 is a non-nucleoside inhibitor of human DNA methyltransferase DNMT1 . Alternative analogues are also investigated in ." . "CUDC-101 is an orally available Phase I compound which is multiacting, inhibiting class I/II histone deacetylases (HDACs) but not the class III sirtuins, and the type I receptor tyrosine kinases EGFR and ERBB2 (HER2) . Targeting two pathogenic pathways simultaneously is one of the strategies being evaluated to overcome problems associated with molecular heterogeneity of tumours and the development of drug resistance." . "VPC171 is a positive allosteric modulator (PAM) of the adenosine A1 receptor (A1R). It is compound 9a in Aurelio et al. (2009) . PAMs of the A1R are being investigated as a novel treatment approach for neuropathic pain ." . "KMUP-1 is a novel xanthine-based activator of soluble guanylyl cyclase (sGC) (acts to enhance cGMP levels) reported to be useful clinically for tracheal relaxation . It also has anti-inflammatory actions. Studies in aninals suggest this compound may also be a candidate for clinical investigation as a treatment for pulmonary arterial hypertension or erectile dysfunction ." . "AC-186 is reported as a selective nonsteroidal estrogen receptor agonist ." . "FERb 033 is a potent and selective estrogen receptor β agonist .
PubChem CID 74429219 represents this molecule with slightly different structure." . "Liquiritigenin is a selective estrogen receptor β agonist isolated from the root of Glycyrrhizae uralensis Fisch (a type of Chinese liquorice) . We show the structure without specified stereochemistry.
The compound exhibits anti-inflammatory actions ." . "Edaglitazone is a potent and selective peroxisome proliferator-activated (PPARγ) receptor agonist .
The INN record for edaglitazone confirms a racemic mixture of stereoisomers. We show the structure without defined stereochemistry to represent the mixture." . "GSK5182 is an analogue of . It binds the ligand binding domain of the estrogen related receptor γ (ERRγ), acting as an inverse agonist ." . "Larotrectinib (LOXO-101) is an orally available, potent and selective inhibitor of the receptor tyrosine kinases of the TRK family . In these referenced patents, data is provided for inhibition of neurotrophic tyrosine kinase, receptor, type 1 (NTRK1, a.k.a. TrkA) ." . "SAR407899 is a potent ATP-competitive, Rho kinase inhibitor ." . "Verosudil is an investigational Rho kinase inhibitor.
The INN record for verosudil indicates that this is a racemic mixture. We show the chemical structure without stereochemistry to represent the mixture. The (2S)-isomer is represented in PubChem CID 86270580 and the (2R)-isomer is represented in CID 44198631." . "FRAX486 is a brain penetrant and orally bioavailable inhibitor of group 1 p21 protein (Cdc42/Rac)-activated kinases (PAK1, PAK2 and PAK3; PAKA subfamily) . Experimental evidence suggests inhibition of PAKs may offer neuroprotective and anti-cancer potential." . "Acalabrutinib is an orally available second-generation, selective and irreversible inhibitor of Bruton tyrosine kinase (BTK) , being investigated for its potential antineoplastic activity (in multiple haematologic malignancies and solid tumours), as well as a potential therapy for rheumatoid arthritis. Acalabrutinib covalently bonds to Cysteine-481 in BTK." . "AMG337 is an investigational inhibitor of the MET proto-oncogene receptor tyrosine kinase (a.k.a. hepatocyte growth factor receptor or c-MET). It has been designed to decrease its inhibitory effect on CYP3A4 metabolic activity (i.e. its liability of inhibiting hepatic drug metabolism) . AMG337 is the R-enantiomer and it adopts a U-shaped binding mode in the kinase ATP binding pocket. The S-enantiomer is unable to interact in the same pocket." . "Onatasertib (CC-223) is an investigational inhibitor of the serine/threonine kinase, mechanistic target of rapamycin (mTOR) in mTORC1/2 complexes ." . "AZD8835 is an inhibitor of the α and δ isoforms of phosphoinositide 3-kinase (PI3K) . The compound's physical properties suggest it is suitable for oral administration." . "FRAX597 is an inhibitor of group 1 p21 protein (Cdc42/Rac)-activated kinases (PAK1, PAK2 and PAK3) , exhibiting experimental anti-cancer action." . "Umbralisib (TGR-1202; RP5264,) is an orally available, selective inhibitor of the δ isoform of phosphoinositide 3-kinase (PI3K) , that was developed by TG Therapeutics for the treatment of several B cell malignancies. It also inhibits casein kinase-1ε . For clinical application umbralisib is formulated as the tosylate salt." . "AMG319 is an inhibitor of phosphoinositide 3-kinase δ (PI3Kδ) inhibitor, with potential clinical anti-inflammatory utility ." . "samotolisib (LY3023414) is a dual inhibitor of phosphoinositide 3-kinase α (PI3Kα) and the serine/threonine kinase mTOR ( mechanistic target of rapamycin) , with potential antineoplastic activity." . "AR-67 is a synthetic, highly lipophilic derivative of the natural alkaloid camptothecin (PubChem CID 24360), with potential antineoplastic and radiosensitizing activities . The compound has improved physicochemical properties compared to other camptothecin-derived drugs (e.g. , the active metabolite of the anti-cancer drug , and ) ." . "IPA-3 is a cell-permeable, non-ATP-competitive (allosteric), selective inhibitor of p21 protein (Cdc42/Rac)-activated kinase 1 (PAK1) . IPA-3 binds covalently to the autoregulatory domain of PAK1, preventing its activation by Cdc42 . Its redox activity makes it a poor experimental tool." . "Ublituximab is a novel third-generation anti-CD20 monoclonal antibody, CD20 being the B lymphocyte cell surface glycoprotein encoded by the MS4A1 gene. This chimeric antibody has been glycoengineered (namely, having a low fucose content in its Fc region) to optimise FcγRIIIA (CD16a) binding, to enhance antibody-dependent cell-mediated cytotoxicity . It is being investigated for its immunomodulatory potential.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record.
Ublituximab shows similar specificity and a similar glycosylation pattern to the anti-CD20 mAb EMAB-6 ." . "Plozalizumab is a humanised anti-CCR2 monoclonal antibody, being investigated for its anti-inflammatory actions .
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record.
BLAST peptide analysis using the heavy and light chain variable amino acid sequences submitted with the INN record for plozalizumab, identifies 100% matches with sequences from patent US6696550 B2 ." . "Risankizumab (research code BI 655066) is a humanised monoclonal antibody targeting interleukin 23A (IL-23A) . It was developed through collaboration between Boehringer Ingelheim and AbbVie for the treatment of autoinflammatory diseases.
Peptide sequence and structural information for this antibody are available from its IMGT/mAb-db record." . "Opicinumab is a monoclonal antibody which acts as a functional antagonist of the neural protein, LINGO1 . Opicinumab was investigated for its clinical utility in diseases with underlying immune-driven demyelination.
Peptide sequence and structural information for this antibody are available from its IMGT/mAb-db record. A BLAST search of patented peptide sequences reveals a 100% match between the variable heavy chain region of opicinumab and SEQ ID NO: 5 from patent US8058406 B2, and another identical match between the variable light chain of the antibody and the patent's SEQ ID NO: 13 ." . "Compound 4 [PMID: 24432870] is an inhibitor of group 2 p21 protein (Cdc42/Rac)-activated kinases (PAK4, PAK6 and PAK7) ." . "Pitolisant is a selective antagonist/inverse agonist of the histamine H3 receptor ." . "Fibatuzumab is a humanised monoclonal antibody directed against the ephrin receptor A3 (EPHA3) , which is a receptor tyrosine kinase implicated in mediating nervous system development .
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record.
BLAST searches of patented peptide sequences using the variable domains of the light and heavy chain sequences of fibatuzumab reveal exact matches with sequences submitted with patent US8664365 B2 ." . "Glembatumumab vedotin is a fully human anti-gpNMB (transmembrane glycoprotein NMB; gene symbol GPNMB) monoclonal antibody-drug conjugate (ADC) carrying the antineoplastic toxin monomethyl auristatin E (MMAE; PubChem CID 11542188). Development and preclinical evaluation of this ADC is reported in .
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "CTGF is a multifunctional growth factor secreted by vascular endothelial cells. CTGF is involved in cell migration, proliferation, and differentiation, plays a role chondrogenesis and is involved in the modulation of extracellular matrix deposition and angiogenesis . CTGF is expressed at high levels in several types of human malignancies.
CTGF is a clinical molecular target for the identification of therapeutics for the treatment of fibroproliferative diseases.
The signal peptide sequence is MTAASMGPVRVAFVVLLALCSRPAVG (1-26 of the full length amino acid sequence detailed here)." . "Pamrevlumab is an investigational fully human anti-CTGF () monoclonal antibody ." . "Trevogrumab is a fully human moncolonal antibody, being investigated for its potential to treat diseases/disorders which are ameliorated or improved by inhibition of (a.k.a. GDF8).
Peptide sequences and structural information for this antibody are available from its IMGT/mAb-DB record.
BLAST peptide searches of patented peptide sequences reveals exact matches between the heavy chain variable region (HCVR) and the light chain variable region (LCVR) of trevogrumab with sequences 360 and 368 respectively, from patent US8840894 B2 ." . "Istiratumab (MM-141) is a fully human bispecific monoclonal antibody co-targeting the IGF-I receptor (IGF-IR) and epidermal growth factor receptor ERBB3 that was developed by Merrimack Pharmaceuticals to block tumour survival signals .
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "MM-111 is a bispecific antibody fusion protein that co-targets the epidermal growth factor family receptor tyrosine kinases, ERBB2 and ERBB3 .
Annotated peptide sequences for this construct are available from its IMGT/mAb-DB record." . "Pepinemab (VX15/2503) is an investigational humanized IgG4 monoclonal antibody targeting semaphirin 4D (SEMA4D) .
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "JNJ-40411813 is a selective and potent positive allosteric modulator (PAM) of the metabotropic glutamate receptor 2 (mGlu2) . PAM binding shows a preference for a G protein bound state of the receptor." . "Tezepelumab is a fully human IgG2λ monoclonal antibody, that is a potential first-in-class agent that blocks the epithelial-cell-derived cytokine thymic stromal lymphopoietin (TSLP- which is an upstream modulator of multiple inflammatory pathways). It is being investigated for its immunomodulatory action." . "Enokizumab is a humanized monoclonal antibody targeting interleukin 9 (IL-9), being investigated for its immunomodulatory potential.
Peptide sequences for this antibody are available from its IMGT/mAb-DB record.
BLAST peptide searches using the variable regions of the heavy and light chains of the antibody reveal exact matches with sequences submitted with patent US7354584 , which correspond to antibody construct 7F3com-2H2 therein.." . "Lenzilumab is a fully human IgG1κ moncolonal antibody targeting granulocyte-macrophage colony-stimulating factor (GM-CSF), being investigated for its immunomodulatory potential.
Peptide sequences for this antibody are available from its IMGT/mAb-DB record.
BLAST peptide searches using the variable regions of the heavy and light chains of the antibody reveal exact matches with sequences submitted with patent US8075885 B2 ." . "Compound 3 [PMID: 26191365] is a highly selective, negative allosteric regulator of the protein kinase, p21 protein (Cdc42/Rac)-activated kinase 1 (PAK1) with favourable physicochemical properties . Structurally the compound resembles the benzodiazepine core and was optimised from lead compounds discovered in a fragment-based screen to identify novel structural motifs inhibiting kinase activity. It binds to a site adjacent to the kinase's ATP binding site ." . "PF-3758309 is an inhibitor of the p21 protein (Cdc42/Rac)-activated kinase (PAK) kinases ." . "Edicotinib (PRV-6527; previously JNJ-40346527) was identified in a medicinal-chemistry lead optimization study to develop oral, selective CSF1R kinase inhibitors. The chemical structure is compound I-S in patent US20140045789 . PubChem CID 25230468 is a tautomer which is also claimed in the patent." . "LY3009120 is a pan-RAF kinase and RAF dimer inhibitor ." . "Emactuzumab is a humanized, IgG1κ anti-colony stimulating factor 1 receptor (CSF1R) monoclonal antibody, being investigated for its anti-cancer potential.
Peptide sequence and structural information for this antibody are available from its IMGT/mAb-db record.
Peptide sequence analysis using the heavy and light chain variable regions of emactuzumab reveals 100% matches to sequences 39 and 40 respectively from patent US20110165156 . These two sequences belong to the clone named hMab 2F11-e7 (or simply 2F11) in the patent document.

In 2018 Roche terminated their emactuzumab development programme. In August 2020 they announced that they were licensing emactuzumab to Celleron Therapeutics who intent to progress the drug as a treatment for diffuse tenosynovial giant cell tumours (TGCT), for which Roche have alreaady published efficacy , TGCT is driven by cells that overproduce the CSF1 protein which attracts the macrophages that ultimately cause the inflammatory damage that characterises the disease." . "CCT251545 is a small molecule inhibitor of WNT signalling . The molecular targets of CCT251545 are the protein kinases CDK8 and CDK19 . This is a type I inhibitor, binding in a DMG-in mode." . "JNJ-40411813 is a positive allosteric modulator (PAM) of the metabotropic glutamate receptor 2 (mGlu2) ." . "AZD5069 is a novel, selective antagonist of the chemokine receptor, CXCR2. The structure shown here was drawn from that in , which specifies stereochemistry. This structure is identical to Example 47 in patent US7838675 . PubChem records the structure with no specified stereochemistry (CID 59558839).
Small-molecule antagonists of CXCR2 are being developed for their potential to treat inflammatory conditions." . "A-196 is a selective chemical probe for the methyltransferases suppressor of variegation 4-20 homologs 1 and 2 (SUV420H1 and SUV420H2), and is one of the compounds available from the Structural Genomics Consortium's epigenetic probes set. It was developed in collaboration with AbbVie.
SUV420H1 and SUV420H2 are responsible for di- and tri-methylating lysine 20 of histone H4 (H4K20)." . "BI-9564 is an inhibitor of bromodomains in BRD7 and BRD9 . BI-9564 is one of the compounds available from the Structural Genomics Consortium's epigenetic probes set. It was developed in collaboration with Boehringer Ingelheim." . "NVS-1 is a small-molecule selective inhibitor of the bromodomain-containing protein cat eye syndrome chromosome region, candidate 2 (CECR2) . NVS-1 is one of the compounds available from the Structural Genomics Consortium's epigenetic probes set. It was developed in collaboration with Novartis." . "Fimepinostat (CUDC-907) is an investigational dual inhibitor of histone deacetylase (HDAC) and phosphatidylinositol 3-kinase (PI3K) activity . The compound is orally available." . "GSK591 is a potent inhibitor of the arginine methyltransferase PRMT5 . This in vivo tool compound is a result of collaboration between Epizyme and GlaxoSmithKline, and is being made available as part of the Structural Genomics Consortium's Epigenetics Probes Collection." . "MS023 is an inhibitor of type I arginine methyltransferases (PRMTs) . Type I PRMTs include PRMT1, 3, 4, 6 and 8. These enzymes catalyze mono- and asymmetric dimethylation of arginine residues. MS023 is being made available from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection." . "BAY-678 is a selective inhibitor of human neutrophil elastase . Developed by Bayer, the compound is being made available from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection." . "Cerdulatinib (PRT062070) is an investigational kinase inhibitor, with dual activity against Janus kinases (JAKs) and spleen tyrosine kinase (SYK) pathways ." . "Lifirafenib (BGB-283) is an investigational inhibitor of the Raf kinases (ARAF, BRAF, CRAF) and the epidermal growth factor receptor (EGFR) tyrosine kinase . BGB-283 is being investigated for its antineoplastic activity. The compound is one of the structures described in patent WO2013097224 A1 ." . "X-396 is an orally available, investigational inhibitor of anaplastic lymphoma receptor tyrosine kinase (ALK). Lovly et al. (2011) report preclinical proof-of-concept findings for the utility of X-396 in ALK-driven cancers " . "Enasidenib (AG-221) is an orally available inhibitor of isocitrate dehygrogenase 2 (IDH2), that is approved as an antineoplastic agent. This compound is example 409 in patent US20130190287 A1 ." . "GSK864 is a potent and selective allosteric inhibitor of mutant isocitrate dehydrogenase 1 (IDH1) . The compound is available from the Structural Genomics Consortium, from their Epigenetics Probes Collection." . "Asciminib (ABL001) is a negative allosteric modulator of BCR-ABL1 , that induces the kinase to adopt an autoinhibitory, and thereby inactive, conformation . The compound is the result of a structure-guided medicinal chemistry program targeting the vestigial myristoyl pocket of the ABL1 kinase. The acronym STAMP inhibitor is used to descrobe this class of compound, which specifically targets the ABL myristoyl pocket. The structure of ABL001 was disclosed at the American Society of Hematology's (ASH) 57th Annual Meeting and Exposition in Orlando, Florida (Dec., 2015)- see Abstract 1565. Mechanisms by which resistance to asciminib can develop are reported by Qiang et al. (2017) , including the development of T315I (confers resistance to )-inclusive compound mutations. Combining ponatinib + asciminib has been shown to be effective against such compound mutations .
Asciminib-based PROTACs have been reported ." . "BO1 is a non-ATP competitive, negative allosteric modulator of mutant BCR-ABL kinase proteins , for example the fusion protein carrying the ABLT315I gatekeeper mutation which confers resistance to . Interation of BO1 with the wild type protein shows an ATP-competitive/mixed mechanism of action ." . "Fulranumab was an investigational, fully human IgG2κ monoclonal antibody targeting nerve growth factor () .
Peptide sequence information for this antibody is available from its IMGT/mAb-DB record.
BLAST peptide sequence analysis reveals identical matches to peptide sequences submitted with patent US7601818 , which belong to antibody clone 4D4 therein." . "Fasinumab is an investigational, fully human IgG4κ monoclonal antibody targeting nerve growth factor ().
Peptide sequence information for this antibody is available from its IMGT/mAb-DB record.
BLAST peptide sequence analysis reveals identical matches to peptide sequences submitted with patent US7988967 , with the preferred antibody being called REGN475 therein. REGN475 exhibits high specificity for human NGF, does not cross-react with closely related neurotrophin-3 (NT-3) and inhibits binding of NGF to its receptors TrkA (NTRK1) and p75 (NGFR) ." . "Onartuzumab is an investigational, humanized monoclonal antibody targeting the MET receptor tyrosine kinase, a proto-oncogene which acts as a hepatocyte growth factor receptor. The protein is a monovalent (single-armed) construct, as opposed to bi-valent intact antibody structures.
Peptide sequence information for this antibody is available from its IMGT/mAb-DB record.
BLAST peptide analysis reveals identical match with sequences deposited with patent US7615529 , which relate to the monoclonal isolated from hybridoma 5D5.11.6 therein." . "Galcanezumab (LY2951742) is a monoclonal antibody targeting calcitonin A and B (CALCA a.k.a. and CALCB a.k.a. respectively), whose anti-migraine and analgesic actions can be applied clinically.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record. Protein BLAST analysis reveals 100% matches with peptides claimed in patent WO2007076336 ." . "PSB-0963 is a research compound which primarily inhibits ecto-5'-nucleotidase (NTE5, CD73), but also inhibits ectonucleoside triphosphate diphosphohydrolase 1 (ENTPD1; CD39) . It is compound 52 in .
The sodium salt is used experimentally." . "PIK-108 is an experimental allosteric inhibitor of the lipid modifying kinases, phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunits β and δ (PI3Kβ/δ) . The compound binds at an allosteric site close to the mutation hotspot of H1047R in the mouse PI3Kα C-lobe, in addition to binding at the ATP-binding pocket ." . "Serabelisib (INK-1117) is a potent and selective orally available phosphatidylinositol-3-kinase (PI3K) inhibitor, being investigated for its potential antineoplastic activity. This is compound 54 in patent US20130035324 ." . "GIP(3-42)NH2 is a truncated form of gastric inhibitory polypeptide (GIP) formed through degradation by dipeptidyl peptidase IV (DPP IV). At high concentration GIP(3-42)NH2 acts as a low potency antagonist of the GIP receptor, weakly antagonizing cAMP accumulation and insulin output in vitro, but no physiological antagonism is observed in vivo ." . "A naturally occurring truncated variant of gastric inhibitory polypeptide (GIP) which acts as a high affinity competitive GIP receptor antagonist ." . "A synthetic truncated variant of gastric inhibitory polypeptide (GIP) which acts as a high affinity competitive GIP receptor antagonist ." . "GIP(1-30)NH2 is a naturally occurring agonist of the GIP receptor ." . "Omipalisib (GSK2126458) is a potent dual inhibitor of phosphoinositide 3-kinase α (PI3Kα) and the mammalian target of rapamycin (mTOR). It is compound 1 in . It was originally developed for anti-proliferative activity in cancer, but has been repositioned as a potential idiopathic pulmonary fibrosis (IPF) therapy ." . "IL-34 is an endogenous ligand of the receptor tyrosine kinase, colony stimulating factor 1 receptor (CSF1R) ." . "NS-398 is a non-steroidal anti-inflammatory agent with potent analgesic and antipyretic effects. It inhibits cyclooxygenase 2 (COX2) ." . "HTH-01-015 is a selective inhibitor of the protein kinase, NUAK family SNF1-like kinase 1 (NUAK1) .
N.B. compare to which inhibits both NUAK1 and NUAK2. HTH-01-015 and WZ4003 can be used as chemical probes to delineate the biological roles of the NUAK kinases." . "Quinostatin is an experimental tool compound which inhibits the lipid-kinase activity of the catalytic subunits of class Ia PI3Ks ." . "GSK-J4 is a cell permeable inhibitor of the histone lysine demethylase KDM6 enzymes, lysine (K)-specific demethylase 6A and 6B (common abbrevations UTX and JMJD3 respectively) . It is the ethyl ester prodrug of . GSK-J4 blocks demethylation of histone H3K27." . "RN-1 is a brain-penetrant, selective inhibitor of lysine (K)-specific demethylase 1A (KDM1A, LSD1) . It does not inhibit the structurally related enzymes monoamine oxidase A and B. RN-1 can be used as a tool compound to investigate the role of reversible histone methylation in the function of the nervous system. The dihydrochloride salt (PubChem CID 90488995) is used experimentally." . "Pyridostigmine is a peripherally acting, orally active reversible acetylcholinesterase (ACHE) inhibitor, with a slightly longer duration of action than . Marketed formulations contain pyridostigmine bromide (PubChem CID 7550)." . "Conessine is an alkaloid obtained from the bark and seeds of Holarrhena antidysenterica trees. It binds with high affinity to rat and human histamine H3 receptors in radio-ligand binding assays, acting as a receptor antagonist . H3 antagonists are being researched as potential drugs for the treatment of neurodegenerative conditions and for their stimulant and nootropic effects. For example, is in clinical trial for Parkinson's disease, narcolepsy, cataplexy and excessive daytime sleepiness." . "JNJ-39758979 is a selective histamine H4 receptor antagonist with anti-inflammatory potential." . "Adriforant (ZPL-3893787) was a clinical stage immunomodulatory compound being developed by Ziarco Pharma (a Novartis subsidiary). Mechanistically it is a selective histamine H4 receptor antagonist. Novartis announced in their second-quarter financial report of 2020, that they were terminating the adriforant development programme." . "Neostigmine is a peripherally acting, reversible acetylcholinesterase (ACHE) inhibitor. Marketed formulations contain neostigmine bromide (PubChem CID 8246) or neostigmine methylsulfate (CID 5824)." . "Opicapone is a novel third generation, long-acting catechol-O-methyltransferase (COMT) inhibitor . This mechanism reduces peripheral degradation of levodopa as used as Parkinson's disease therapy." . "LY2077855 is an inhibitor of fatty acid amide hydrolase (FAAH) activity. It is one of the compounds claimed in patent WO2009117444 'Inhibitors of fatty acid amide hydrolase and monoacylglycerol lipase for modulation of cannabinoid receptors' ." . "This structure was the initial guess for BIA 10-2474 inhibitor of fattty acid amide hydrolase (FAAH), on the basis of process patents and ." . "STM 434 is an investigational fusion protein containing the extracellular domain of the activin receptor type 2B (ACVR2B, a.k.a. ActRIIB) fused to the Fc domain of human IgG1. This is one of the inventions claimed in patent US8501678 B2 . It is not entirely clear which construct is STM 434, but it is likely to be either vActRIIB-IgG1Fc E28W (E10W) mature polypeptide (which has SEQ ID: 62) or vActRIIB-IgG1Fc E28Y (E10Y) mature polypeptide (SEQ ID: 64)." . "Compound 49 is a potent experimental CNS-penetrant thiazolidinone-based CGRP receptor antagonist . This specific (2R,5S) diastereomer is reported to have an improved brain to plasma ratio compared to and , likely attributable to its lower molecular weight and reduced polar surface area (PSA)." . "Fevipiprant is an orally available, selective antagonist of the prostanoid DP2 receptor (CRTh2) with anti-inflammatory action ." . "QAV680 is an investigational antagonist of the prostanoid DP2 receptor (CRTh2) with anti-inflammatory action." . "Ligelizumab is a humanized, investigational high-affinity anti-IgE monoclonal antibody with anti-inflammatory potential , with improved pharmacokinetics and clinical effects compared to .
Peptide sequences for this antibody are available from its IMGT/mAb-DB record.
BLAST peptide sequence analysis reveals identical matches with antibody sequences claimed in patent US7531169 B2, where it is the clone designated as CL-2C ." . "Quilizumab is a humanized IgG1κ investigational monoclonal antibody designed to bind the M1' segment of membrane-bound immunoglobulin E (mIgE), which is part of the B-cell receptor (BCR) on B cells .
Peptide sequences and 3D structural information for this antibody are available from its IMGT/mAb-DB record.
BLAST peptide analysis reveals 100% matches with sequences claimed in patent US8071097 B2 ." . "(S)-ARN2508 is a dual inhibitor of fatty acid amide hydrolase (FAAH) and COX enzyme activities , claimed in patent WO2014023643 . The compound series developed by Migliore et al. (2015) is based on a hybrid scaffold combining structural motifs of the FAAH inhibitor and the COX inhibitor . From this series, the (S) enantiomer was found to inhibit both enzymes, whereas the (R) enantiomer () only inhibited FAAH." . "(R)-ARN2508 is an experimental inhibitor of fatty acid amide hydrolase (FAAH) , claimed in patent WO2014023643 . The compound series developed by Migliore et al. (2015) is based on a hybrid scaffold combining structural motifs of the FAAH inhibitor and the COX inhibitor . The (S) enantiomer () inhibits both FAAH and COX enzyme activities, whereas this (R) enantiomer only inhibits FAAH." . "BIA 10-2474 was believed to be reversible inhibitor of fatty acid amide hydrolase (FAAH). It was the cause of a disastrous clinical trial in France which left one participant dead and several others with serious neurological adverse events. The compound is claimed in patent WO2010074588 . The structure of BIA 10-2474 was disclosed in a clinical trial protocol with EudraCT No: 2015-001799-24. Pharmacological inhibition of FAAH was being investigated in the search for novel analgesic drugs . More information surrounding this compound and its unfortunate clinical trial outcome is available in two blogposts by our curator Christopher Southan (The unfortunate case of BIA-10-2474 and Molecular details related to BIA 10-2474).

Subsequent analysis of BIA 10-2474's pharmacology is reported by van Esbroeck et al. (2017) . This anaylsis suggests that BIA 10-2474's interaction with FAAH is in fact irreversible. Using activity-based protein profiling (ABPP), this same study reveals that BIA 10-2474 (and its metabolite BIA 10-2639) engages numerous human off-targets including FAAH2 and several lipid serine hydrolases, such as ABHD6, ABHD11, LIPE, and PNPLA6, and xenobiotic drug-metabolizing enzymes CES1, CES2, and CES3, with greater inhibition of ABHD6 and CES2 compared to PNPLA6. The authors postulate that BIA 10-2474 may act to dramatically alter brain lipid metabolism and that this action may have contributed to the compound's neurotoxicity. In the same assays, this action was not replicated by the clinically tested FAAH inhibitor .

Update: August 2018. BIAL have finally published a primary paper describing their internal characterisation of BIA-10-2474 along with the SAR of that series but only with %inhibition rather than IC50 values ." . "BW373U86 is a potent and selective nonpeptidic δ opioid receptor agonist ." . "ADL5747 is a selective, nonpeptidic δ opioid receptor agonist . Due to its favorable efficacy, safety, and pharmacokinetic profile ADL5747 was progressed as a clinical candidate for the treatment of pain." . "AZ10606120 is a negative allosteric modulator of the human P2X7 receptor . As a research compound AZ10606120 is being studied for its potential antineoplastic activity ." . "ADL5859 is a potent, orally bioavailable δ opioid receptor agonist ." . "AR-M1000390 is a nonpeptidic δ receptor selective agonist ." . "UFP-512 is a selective δ opioid receptor agonist, with anxiolytic- and antidepressant-like activities in mice ." . "GSK180 is a potent and selective competitive inhibitor of kynurenine 3-monooxygenase (KMO) , an enzyme involved in tryptophan metabolism. The structure is a derivative of the enzyme substrate kynurenine.
Currently the only X-ray crystal structure available is for GSK180 in complex with the Pseudomonas fluorescens KMO homologue (PDB ID 5FN0)." . "Compound 5d is a neuromedin U receptor 1 (NMUR1) agonist." . "NM4-C16 is a dual neuromedin U receptor 1 (NMUR1)/neuromedin U receptor 2 (NMUR2) agonist." . "compound NRA 4 is a neuromedin U receptor 2 (NMUR2) agonist." . "GW791343 is an negative allosteric modulator of the human P2X7 receptor, but is a positive modulator of the rat orthologue . Mutational studies suggest that amino acid 95 is a key residue in determining the species difference in antagonist effects . The position 95 residue is phenylalanine in human P2X7 receptors, and leucine in rat." . "Mebeverine is a musculotropic antispasmodic drug. Marketed formulations contain the hydrochloride salt (PubChem CID 17683) which is sometimes combined with ispaghula husk (sold as Fybogel®) to add fibre to the gut contents." . "JNJ-42165279 is an investigational, covalent and selective inhibitor of fatty acid amide hydrolase (FAAH) . Preclinical test findings are reported in , with the conclusion that the favourable ADME and pharmacodynamic profiles of JNJ-42165279 supported it being progressed to clinical trial." . "Compound 19y is one of a series of derivatives synthesised and tested by a group from BIAL-Portela & Ca, SA, as inhibitors of fatty acid amide hydrolase (FAAH) . BIAL-Portela were responsible for the development of , another FAAH inhibitor that caused serious adverse events in a Phase I clinical trial in January 2016." . "PF-152 is a matrix metalloproteinase-13 (MMP13) inhibitor , with potential to treat osteoarthritis." . "Acenocoumarol is a coumarin that is used as an anticoagulant, with actions and uses similar to . The coumarins are vitamin K epoxide reductase antagonists." . "Compound 43 [PMID: 26751273] is an orally active tetrahydropyrazolopyridine sphingosine 1-phosphate receptor 3 (S1P3R)-sparing S1P1R agonist ." . "LM10 is an experimental compound reported as an inhibitor of tryptophan 2,3-dioxygenase (TDO2), with anti-neoplastic activity in a murine syngeneic tumour model .
The closest structural match on PubChem (CID 91885138) is an alternative representation, with different double bond specification across the vinyl group linking the indole and tetrazole groups." . "Compound 9 is an experimental compound which inhibits the activity of arginases 1 and 2, (ARG1, ARG2) . In a rat model of myocardial ischemia/reperfusion injury (MI/RI), compound 9 reduces cardiac reperfusion injury ." . "NCX-4016 is an inhibitor which supports generation of reactive oxygen species (ROS) that modify CCL2 levels, disabling T cell chemotaxis. It is expected that this type of action will have anti-inflammatory, antiproliferative, and cytoprotective activity . NCX-4016 is a NO-NSAID type compound (nitric oxide-donating NSAID), a hybrid nitrate conjugated to an NSAID, in this case . This type of compound was designed to exploit the gastroprotective properties of NO bioactivity, to combat the gastrotoxicity which compromises NSAID use ." . "Navoximod (NLG-919) is a potent inhibitor of indoleamine-2,3-dioxygenase (IDO1) that was developed by Genentech and NewLink Genetics . IOD1 is the first and rate-limiting component of the pathway mediating metabolism of tryptophan to kynurenine. Tryptophan depletion enhances the number and function of the Treg (suppressive) arm of the immune system and inhibits the effector T cell (stimulatory) arm. This action of IDO1 facilitates acquired local and peripheral immune tolerance in normal and pathological conditions. IOD1 inhibitors are being developed as novel therapeutics to reverse the immunosuppression associated with cancer.
The crystal structure of human IDO1 in complex with navoximod has been submitted to the PDB with ID 6O3I ." . "AT38 is a salicylate hydrolysed from a soluble furoxan derivative MC526 (see patent WO2011104671 A1 ). AT38 inhibits metabolic pathways involved in the development of tumours, which underlies the compound's potential therapeutic antitumour activity ." . "Defoslimod is an analogue of lipopolysaccharide endotoxin-derived lipid A obtained from E. coli . It was developed as an immunotherapeutic agent for the treatment of cancer. Defoslimod acts as an agonist of Toll-like receptors 2 and 4 (TLR2 and TLR4) .
We show the structure with chemical formula provided in the INN record for the compound (C52H100N2O20P2). PubChem CID 56841121, which claims to represent defoslimod has an extra carbon atom and two associated hydrogens (C53H102N2O20P2). But note also that the structure reported in only has 51 carbon atoms." . "852A is a soluble agonist of Toll-like receptor 7 (TLR7) . It has been clinically investigated for potential anti-cancer activity ." . "Motolimod is an investigational Toll-like receptor 8 (TLR8) agonist ." . "Bnding affinity of L6H21 to MD-2 protein was analysed and effects on MAPK and NF-κB signalling were determined. Anti-inflammatory effects were evaluated in septic C57BL/6 mice. Results imply L6H21 has potential for treatment of sepsis and MD-2 (LY96) is an important therapeutic target for inflammatory disorders ." . "SB590885 is a potent B-Raf inhibitor with 11-fold selectivity for B-Raf over c-Raf and no inhibition vs. other human kinases . It is reported to stabilise the open conformation of the enzyme ." . "Oral administration of Lupeol to dextran sulfate sodium (DSS)-induced colitis mice reduced intestinal inflammation and increased survival. This was associated with decreased expression of M1-related genes and increased expression of M2-related genes. Lupeol ameliorates experimental inflammatory bowel disease, at least in part, through inhibiting M1 and promoting M2 macrophages . Similar results were simultaneously published in a different journal . Note there are many isomers of this structure that can be found using the %22same connectivity%22 operator in the PubChem CID entry." . "Mometasone is a corticosteroid anti-inflammatory drug." . "ARL 67156 is a research compound used experimantally as the trisodium salt PubChem CID 11957464). It is an inhibitor of ecto-ATPase activity. Structurally, ARL 67156 is an analogue of ATP and therefore competes with substrate at the enzyme." . "Proteolix (later Onyx Pharmaceuticals, now Amgen) developed the peptidomimetic inhibitor PR-957 (ONX-0914), which selectively inhibited the chymotrypsin-like activity of LMP7. This blocked presentation of LMP7-specific, MHC-I-restricted antigens and reduced immunoproteasome production of pro-inflammatory cytokines such as IL-6, IFN-γ, TNF-α and IL-23 . Note there are at least 6 isomeric alternatives for this structure including ChEMBL entries and SureChEMBL patent mappings (see %22same connectivity%22 links in the PubChem CID entry)." . "Difelikefalin is a first-in-class, peripherally acting, highly selective peptide agonist of the κ-opioid receptor, that was developed potential to treat chronic itch and it is claimed in patent US7402564B1 . This patent provides extensive results from preclinical testing, assessing the analgesic and anti-pruritic potential of difelikefalin." . "INCB8761 is a CCR2 antagonist. Pharmacological targeting of the CCL2/CCR2 axis is predicted to be an effective immunotherapeutic strategy to reduce the inflammatory monocyte recruitment which appears to underlie pancreatic cancer progression ." . "PSB-6426 is a tool compound which inhibits ectonucleoside triphosphate diphosphohydrolase 2 (ENTPD2, CD39L1) . Structurally it is a uridine derivative, and it was the most potent compound discovered in a series designed to find novel structures with potential cardioprotective action." . "VRT-043198 generated from the prodrug (VX-765) is a potent and selective inhibitor of caspase-1 from Vertex. When administered orally to mice, it inhibits lipopolysaccharide-induced cytokine secretion and reduces disease severity and the expression of inflammatory mediators in models of rheumatoid arthritis and skin inflammation, suggesting that as a cytokine inhibitor it could be useful for treatment of inflammatory diseases ." . "Belnacasan is a prodrug of , a caspase-1 inhibitor that was developed by Vertex. Pharmacological inhibition of caspase-1 is being investigated as a mechanism to reduce pro-inflammatory cytokine (predominantly IL-1β) production as a novel treatment of inflammatory diseases . Inhibition of caspase-1 is a small molecule strategy developed as an alternative to the use of anti-IL-1β neutralising antibodies, such as , or the dimeric fusion protein that acts as a IL-1 trap." . "INCB3284 is a potent, selective and orally available small molecule antagonist of the chemokine (C-C motif) receptor 2 (CCR2; the primary receptor for (MCP-1)) , which was developed for potential anti-inflammatory activity and the treatment of inflammation-driven diseases. Note that alternative isomeric forms of this compound are presented by different online resources (e.g. CHEMBL1963131 and CHEMBL1951790)." . "Resatorvid (TAK242) was first identified as an inhibitor of inflammatory mediator production in LPS treated mouse macrophages . Subsequent work found that this action was attributable to the compound's activity as a Toll-like receptor 4 (TLR4) antagonist ." . "SP-4206 is a small molecule protein-protein interaction inhibitor. It binds IL-2 and prevents its interaction with the IL-2 receptor α . The X-ray structure of SP-4206 bound to a dynamic hot spot on IL-2 is presented with PDB identifier 1PY2 ." . "PF-04859989 was identified as a potent, irreversable and selective inhibitor of human and rat kynurenine aminotransferase II (KATII; a.k.a. aminoadipate aminotransferase AADAT) . An X-ray crystal structure of the enzyme co-crystalised with an inhibitor has been reported . In vivo pharmacokinetic and efficacy studies in rat show it to be brain-penetrant, reducing brain kynurenic acid by 50%. KAT inhibitors are expected to exhibit neuroprotective effects, that may be beneficial for the treatment of neurodegenerative and cognitive impairment disorders ." . "Erdafitinib is a pan-fibroblast growth factor receptor (FGFRs 1-4) tyrosine kinase inhibitor . It is the first targeted drug to be approved for advanced bladder cancer." . "JNJ40355003 is a potent, selective and irreversible inhibitor of fatty acid amide hydrolase (FAAH) ." . "Selonsertib is an orally bioavailable apoptosis signal-regulating kinase 1 (ASK1= mitogen-activated protein kinase kinase kinase 5, MAP3K5) inhibitor being investigated for its anti-fibrotic activity. It is compound I in patent US8742126 . Development as a treatment for nonalcoholic steatohepatitis (NASH) was unsuccessful." . "Brivaracetam is a 4-n-propyl analogue of with anticonvulsant properties . Like levetiracetam this drug inhibits synaptic vesicle protein 2A (SV2A), but with 10X higher binding affinity. Brivaracetam is brain penetrant and has a fast onset of action . It can also inhibit sodium channels." . "Evocalcet is an investigational calcium-sensing receptor (CASR) agonist, or calcimimetic. CASR is a G protein-coupled receptor.
This compound is claimed in patent US8362274 ." . "Apalutamide is a novel androgen receptor (AR) antagonist (antiandrogen) that is approved as a treatment for castration-resistant prostate cancer (CRPC) . This compound (91) was discovered in a structure/activity relationship-guided medicinal chemistry program designed to identify antiandrogens devoid of agonistic activity in the setting of androgen receptor overexpression ." . "Tilfrinib is a selective inhibitor of protein tyrosine kinase 6 (a.k.a. Brk) .
Although tilfrinib, sounds like a non-proprietary name (INN), it is not registered with the WHO MedNet INN service." . "Vercirnon (CCX282-B) is a selective, potent and orally bioavailable antagonist of the chemokine (C-C motif) receptor 9 (CCR9 chemokine receptor) . It was developed for potential to treat inflammatory bowel disease." . "Eldelumab (BMS-936557 and formerly MDX-1100) is a a fully human monoclonal antibody targeting the chemokine CXCL10 (a.k.a. interferon-γ-inducible protein-10 or IP-10) . It is being investigated for its anti-inflammatory action in autoimmune conditions.
BLAST peptide sequence analysis reveals exact matches with heavy and light chain variable regions claimed in patent US8258266, and identify eldelumab as clone 6A5 ." . "MK-0812 is an antagonist of chemokine (C-C motif) receptor 2 (the CCR2 chemokine receptor) being investigated for its anti-inflammatory action." . "Bimosiamose is a synthetic pan-selectin antagonist being investigated as a novel anti-inflammatory agent, primarily for controlling allergic respiratory diseases , but it has also been reported to provide benefit in ischemia/reperfusion injury . The primary role of selectin inhibitors appears to be disruption of early events in the migration process (possibly mediated through E-selectin ), thereby inhibiting their eventual extravasation from blood to the inflammed tissue." . "Dextrorphan is an NMDA receptor antagonist. It is the dextro-rotatory isomer of and is also an active metabolite of ." . "Telaglenastat (CB-839) is an investigational noncompetitive (allosteric) glutaminase inhibitor . It is one of the structures claimed in patent US8604016 , where it is compound 670. The anti-cancer activity of CB-839 was first reported in preclinical studies in triple-negative breast cancer (TNBC) cells in vitro and in vivo ." . "PF-4191834 is an orally available, novel, selective non-redox 5-lipoxygenase (ALOX5) inhibitor with potential antiinflammatory and analgesic activity ." . "CE-326597 is an an orally active, gut-selective cholecystokinin (CCK) type A receptor (CCKAR) agonist, developed for its anti-obesity potential ." . "CP-601927 is an orally available, CNS‐penetrant, high affinity, selective, investigational partial agonist of the nicotinic acetylcholine (nAch) receptor α4β2 , developed for its potential in several central nervous system conditions . CP-601927 was investigated for its potential to augment antidepressant treatment in patients with major depressive disorder ." . "The three principal activation pathways of the complement system (the classical, lectin and alternative pathways) converge on complement peptide C3, making it a central target for drug development in the search for immune system modulators for the treatment of complement-mediated disorders. Excessive or uncontrolled activation of the complement system plays a key role in a wide range of autoimmune and inflammatory diseases. Pharmacological inhibition of C3 activation can modify all outcomes of complement cascade activation (opsonization, inflammation and membrane attack complex formation), irrespective of which complement pathway is activated.

C3 inhibitors in development, include derivatives. Examples include Apellis Pharmaceuticals' peptide drug candidates which act as C3 inhibitors to effect disease control and disease modification, in conditions including paroxysmal nocturnal hemoglobinuria (PNH), age-related macular degeneration (AMD) and chronic obstructive pulmonary disease (COPD). APL-1 (previously POT-4), a short-acting inhibitor has completed Phase 1 in AMD and has potential for COPD (inhaled administration). APL-2 (INN pegcetacoplan; FDA approved 2021 as Empaveli®) is PEGylated APL-1 formulated for subcutaneous (PNH) and intravitreal administration (AMD). Pegcetacoplan was the first C3-targeted PNH therapy to be approved in the USA. APL-9 (a second generation derivative of APL-2) was tested in clinical trial for potential to treat SARS-CoV-2-induced mild-moderate ARDS (NCT04402060), but the program was terminated in early 2021 when an interim data review showed that APL-9 therapy did not significantly reduce mortality.

AMY-101 (a next-generation proprietary compstatin from Amyndas Pharmaceuticals) has been granted Orphan Designation by both the EMA and US FDA for the treatment of C3 glomerulopathy (C3G). This candidate has been entered into clinical trials that aim to determine its ability to combat the inflammatory damage (to lung and other organs) in patients with severe COVID-19 (Phase 2 NCT04395456) . Peptide Cp40 has shown effective C3 inhibition in C3G in vitro ." . "PF-03463275 is an orally available, CNS-penetrant inhibitor of SLC6A9, the GlyT1 glycine transporter , developed for potential anti-schizophrenia activity.

This entry represents the parent molecule. Its hydrochloride salt has PubChem CID 91799199." . "PF-03654746 is a potent and selective, investigational histamine H3 receptor antagonist , with potetial as an antiinflammatory agent and with potential to treat human cognitive disorders." . "PF-04995274 is a serotonin 5-HT4 receptor partial agonist, developed as a potential pro-cognitive agent for the treatment of Alzheimer's disease (AD) ." . "PF-05190457 is a selective, orally bioavailable and competitive antagonist of the ghrelin receptor , with potential therapeutic utility for the treatment of obesity and type 2 diabetes ." . "Dipipanone is a strong opioid analgesic drug. The INN record specifies a mixture of enantiomers. We show the non-stereo molecule to represent the mixture." . "PF-03882845 is an investigational, potent and selective, non-steroidal mineralocorticoid receptor antagonist , with potential protective effect in aldosterone-mediated renal damage (nephropathy)." . "PF-04905428 is an investigational purinergic receptor 2 (P2X7) antagonist , with potential antiinflammatory action in various conditions such as arthritis, allergies, asthma, COPD, autoimmune diseases and other disorders.. PF-04905428 is one of the compounds claimed in patent US6974812 ." . "Enoximone is a selective phosphodiesterase inhibitor, targeting PDE3 subtypes . It is a cardiotonic agent ." . "Celiprolol is a cardioselective β1-adrenoceptor antagonist, but also displays weak partial agonist (sympathomimetic) action at β2-adrenoceptors." . "Tritiated analogue of ." . "Cenderitide is a designed chimeric natriuretic peptide (NP) engineered to co-activate the two known NP receptors, guanylyl cyclase (GC) -A and -B . It comprises the sequence for at the N-terminus (residues 1-22) joined to 15 amino acids (23-37) of the C-terminus of Dendroaspis natriuretic peptide (DNP), isolated from the venom of the green Mamba snake Dendroaspis angusticeps. Synthetic DNP has useful renal activity . Cenderitide combines the beneficial vascular and antiproliferative properties of CNP with the potent natriuretic and diuretic hypotensive effects of DNP." . "PL-3994 is a natriuretic peptide receptor-A (NPR-A) agonist, with potential as a bronchodilating therapeutic. It is a cyclo-peptide with sequence Hept-cyclo(Cys-His-Phe-d-Ala-Gly-Arg-d-Nle-Asp-Arg-Ile-Ser-Cys)-Tyr-[Arg mimetic]-NH2 . This peptide benefits from being resistant to enzymatic degradation by neutral endopeptidase (a.k.a. NEP or neprilysin), the metabolic enzyme of endogenous natriuretic peptides." . "Vosoritide is a cyclic analogue of C-type natriuretic peptide (CNP) that has a longer half-life (duration of action) than the endogenous peptide . It comprises the 37 C-terminal amino acids from human CNP with the addition of proline and glycine (PG) at its N-terminal.
Vosoritide represents a novel mechanism which has the potential to treat mutant fibroblast growth factor receptor 3-driven achondroplasia, by stimulating endochondral ossification and thereby ameliorating impaired bone growth ." . "Plecanatide is a synthetic analogue of , which is an agonist of the guanylate cyclase C (GC-C) receptor (GUCY2C) . Activation of GC-C in mucosal epithelial cells of the gastrointestinal (GI) tract causes the secretion of fluid, facilitating bowel movements. Plecanatide has potential to help manage constipating GI disorders, such as chronic idiopathic constipation and constipation-predominant irritable bowel syndrome (IBS-C). Plecanatide is one of the peptides claimed in patent WO2014151206, where it is represented by SEQ ID NO: 1 and code SP-304, with residue 3 (Aad) being gultamic acid (E, Glu) .
The SMILES and structure image used in this entry are from Chemicalize.
HELM notation is PEPTIDE1{N.D.E.C.E.L.C.V.N.V.A.C.T.G.C.L}$PEPTIDE1,PEPTIDE1,12:R3-4:R3|PEPTIDE1,PEPTIDE1,15:R3-7:R3$$$.
was the first GC-C activator to reach the clinic, like plecanatide it is approved for the treatment of chronic constipation and IBS-C." . "Dendroaspis natriuretic peptide, a snake venom ligand, shares structural similarity to the other known natriuretic peptides, atrial, brain, and C-type natriuretic peptides, in that they all have a 17 amino acid ring structure created by a single disulphide bond . It is natriuretic and diuretic and is a potent activator of cGMP. It causes vasodilation, with beneficial cardiovascular and renal properties in vivo ." . "Nabilone is a synthetic cannabinoid, used as an anti-emetic drug. It is a mixture of enantiomers. We show the 'flat' molecule with no specified stereochemistry to represent the mixture." . "Cinnarizine is used primarily for its anti-histaminic activity, but it also has anti-cholinergic and calcium channel blocking effects, which may account for some of its side-effects.The INN record for this drug specifies cinnarizine clofibrate (PubChem CID 6436096)." . "Edrophonium is the parent molecule of the clinically used rapid-onset, short-acting cholinesterase inhibitor edrophonium chloride (PubChem CID 8307)." . "Echothiophate is the parent molecule of the irreversible cholinesterase inhibitor echothiophate iodide (PubChem CID 10547)." . "Dacarbazine is a triazine DNA alkylating agent." . "Estramustine is a synthetic analogue combining estradiol and nornitrogen mustard. It is a DNA alkylating agent with antineoplastic activity.
Marketed formulations contain estramustine phosphate sodium (PubChem CID 444000)." . "Compound 1 inhibits the co-stimulatory protein-protein interaction between the tumour necrosis factor receptor OX40 and the endogenous OX-40 ligand, by binding to the receptor rather than the ligand . This interaction is a promising therapeutic target for immunomodulation. Cellular assays indicate that compound 1 has partial agonist activity at OX40.

PubChem CID 6817797 respresents an alternative stereochemical structure for this compound." . "This is one of the fatty acid amide hydrolase 1 (FAAH) inhibitor compounds claimed in patent WO2009109743 . FAAH inhibitors are being investigated for their potential analgesic action." . "Compound 15 is an agonist of the bile acid receptor 1 (GPBAR1), which has been used experimentally to show that GPBAR1 plays a regulatory role in inflammation . This is example 252 claimed in patent WO2007110237 ." . "MRL-367 is a selective, small molecule antagonist of RORγt, an isoform of RORγ (RAR related orphan receptor C), with antiinflammatory potential ." . "MRL-248 is a selective, small molecule antagonist of RORγt, an isoform of RORγ (RAR related orphan receptor C), with antiinflammatory potential ." . "Diamorphine (heroin) is a morphine derivative. It acts as a potent opioid receptor agonist after deacetylation to 6-acetylmorphine and subsequently to morphine .
Internationally, heroin is a controlled narcotic drug." . "Meptazinol is an opioid receptor agonist, with analgesic action. The INN recprod for this drug shows that it is a mixture of enantiomers. We show the molecule without specified stereochemistry to represent the mixture." . "Compound 27 is an inhibitor of branched chain aminotransferase 2 (BCAT2, a.k.a. BCATm) . GSK identified this molecule in a fragment screening and SAR study to identify BCAT2 inhibitors, which they suggest may have anti-obesity potential." . "Compound 42 is an inhibitor of branched chain aminotransferase 2 (BCAT2, a.k.a. BCATm) . GSK identified this molecule in a fragment screening and SAR study to identify BCAT2 inhibitors, which they suggest may have anti-obesity potential." . "Pholcodine is an opioid cough suppressant (antitussive). It helps suppress unproductive coughs, has a mild sedative effect, but very limited analgesic effects." . "Satralizumab (previously referred to using the replaced INN sapelizumab) is an investigational humanized monoclonal antibody targeting the IL-6 receptor, with immunomodulatory potential. This antibody is an improved version of , with enhanced antigen-neutralizing ability and pharmacokinetics suitable for less frequent administration .
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record. Peptide BLAST searches reveal identical matches between the heavy and light chain sequences as annotated in IMGT and SEQ IDs 26 and 29 respectively claimed in patent US8562991 . This matches satralizumab to the Fv4-M73 construct in the patent." . "Defibrotide is a deoxyribonucleic acid derivative (single-stranded) purified from bovine lung. It has anticoagulant activity. Defibrotide is administered as defibrotide sodium. As this is a natural extract, its composition is not fully resolved, so no chemical structure is provided." . "Clobetasone is a corticosteroid used in dermatology." . "Etomoxir is an irreversible inhibitor of mitochondrial carnitine palmitoyltransferase 1 (CPT1). It is one of the most widely used chemical probes for studying mitochondrial fatty acid β-oxidation.
We show the (R) enantiomer, which is the active form responsible for fatty acid oxidation." . "PL265 is a preclinical, long-acting dual ENKephalinase inhibitor (DENKi), with analgesic potential . See also . PL265 has been developed as a novel therapeutic for control of intractable cancer pain. It is 'Example 4' claimed in patent US2014161839 ." . "Active compound formed from prodrug ." . "GSK334429 is a histamine H3 receptor antagonist." . "Lanadelumab is a fully human monoclonal antibody targeting the serine peptidase kallikrein B1 (KLKB1, a.k.a. plasma kallikrein). It is generated in recombinant Chinese hamster ovary cells.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record. Protein BLAST analysis reveals 100% matches with peptides claimed in patent US8816055 ." . "Zotiraciclib (TG02) is an orally active multi-kinase inhibitor, with a unique activity profile against CDKs, JAK2 and FLT3 . Like it is a small molecule macrocycle. TG02 was rationally designed to simultaneously inhibit several key signalling pathways, with the aim of maximising anti-cancer efficacy. It is being investigated for its anti-leukemic potential .
The compound is administered as the citrate salt." . "Domagrozumab is a humanized monoclonal antibody targeting (MSTN), being investigated for potential therapeutic action in muscle wasting diseases.
Peptide sequences and structural information for this antibody are available from its IMGT/mAb-DB record. Protein BLAST analysis reveals 100% matches with sequences claimed in patent US8992913 ." . "Tmolumab is a fully human anti-AOC3 (amine oxidase copper containing 3, VAP1) monoclonal antibody being investigated for its immunomodulatory action.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record. Protein BLAST analysis reveals 100% matches with peptides claimed in patent US7897149, in particular with the recombinant fully human antibody BTT-1023 named therein ." . "Compound 8b is an agonist of the thyroid stimulating hormone receptor (TSHR) ." . "Carotuximab is an investigational, chimeric mouse/human anti-endoglin monoclonal antibody, with potential immunomodulatory and antineoplastic action.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record. Protein BLAST analysis reveals 100% matches with peptides claimed in patent US8221753, and to the antibody designated TR105 (c-SN6j) therein ." . "Lumateperone (ITI-007) is an antipsychotic, with a novel mechanism of action, making it the first-in class agent of its type . Note that the approved drug contains lumateperone tosylate (PubChem CID 44241743)." . "Flortaucipir (18F) is an investigational PET imaging agent (diagnostic radiopharmaceutical) designed to visualise tau protein (MAPT; P10636) in Alzheimer's disease brains. Compare with the approved agent, , used to visualise β-amyloid." . "Brimapitide is a highly selective, non-competitive, long-acting inhibitor of c-jun N-terminal kinase (JNK). The peptide is an investigational drug for the intratympanic (i.t.) treatment of acute sensorineural hearing loss (ASNHL). Structurally the peptide consists of 20 amino acids from C-Jun-amino-terminal kinase-interacting protein 1 (JIP-1) fused to a carrier peptide derived from HIV-TAT48-57 (TAT) peptide PPRRRQRRKKRG. The peptide is constructed in a D-retro-inverso configuration to render it protease resistant. The TAT peptide mediates cell permeability. The sequence is claimed in patent US8080517 (SEQ ID NO: 11, D-JNKI1) . The research codes XG-102 and AM-111 seem to be applied to this investigational agent." . "SC-22716 is an experimental leukotriene A4 hydrolase inhibitor. It was the primary lead for the SAR study reported in . SC-22716 acts as a potent, competitive and reversible inhibitor of the hydrolase and peptidase activities of human leukotriene A4 hydrolase." . "PLX7486 is a small molecule CSF1R/TRK kinases inhibitor. It is orally available, potent and selective, with attractive pharmaceutical properties and is being investiagted for its anti-neoplastic action .
The chemical structure of PLX7486 has not yet been disclosed. We will show this as soon as it is openly available." . "PLX5622 is an orally available and highly selective kinase inhibitor targeting CSF1R (FMS) kinase. It is being investigated for its anti-inflammatory effects in autoimmune diseases, in the first instance rheumatoid arthritis (RA).
The chemical structure of PLX5622 has not yet been disclosed. We will show this as soon as it is openly available." . "AMG820 is a monoclonal antibody targeting the receptor tyrosine kinase, CSF1R (Fms). It is claimed in patent WO2009026303 ." . "Cabiralizumab is an investigational humanized monoclonal antibody targeting the receptor tyrosine kinase, CSF1R (Fms). It is being investigated for its potential anti-cancer activity.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record. Protein BLAST analysis reveals 100% matches with peptides claimed in patent US20110274683 " . "JMR-132 is a peptidic GHRH analogue . The structure is reported as PhAc0,D-Arg2,Phe(4-Cl)6,Ala8,Har9,Tyr(Me)10,His11,Abu15,His20,Nle27,D-Arg28,Har29] human GHRH (1-29)-NH2 (Abu is -aminobutyric acid, Har is homoarginine, Nle is norleucine, PhAc is phenylacetyl, and Tyr(Me) is O-methyltyrosine." . "ARRY-382 is an investigational, orally administered small molecule inhibitor of the receptor tyrosine kinase, CSF1R (Fms).
The chemical structure of ARRY-382 has not yet been disclosed. We will show this as soon as it is openly available." . "LY3022855 (IMC-CS4) is a human IgG1 monoclonal antibody designed to target the CSF1R. It is being investigated for its potential anti-neoplastic action. LY3022855 is claimed in patent WO2011123381 , by Imclone Llc." . "MCS110 is a myeloid cell targeting agent, specifically an IgG1 kappa monoclonal antibody against the ligand CSF-1 (a.k.a. ). It is being investigated for its immuno-oncology potential. This is one of the antibody constructs claimed in patent WO2007016240 ." . "6-methoxysakuranetin is a methoxylated flavanone compound with taste-modifying action. Reported to modify the response to at the human bitterness receptor TAS2R31 ." . "GIV3727 is an orthosteric antagonist of the human bitterness receptor TAS2R31 . It inhibits the receptor's activation by the commonly used artificial sweeteners, and acesulfame K. It also antagonises the highly similar TAS2R43 receptor. This is one of the compounds claimed in patent WO2008119196, covering the use of compounds to mask the off-notes that can be detected in consumables containing artificial sweeteners ." . "CPI-1205 is an orally available selective inhibitor of the histone lysine methyltransferase EZH2, with potential antineoplastic activity . The developer is Constellation Pharmaceuticals whose patents WO2012068589 and more recently, WO2014151142A1 , claim many compounds for their potential to modulate methylation modifying enzymes. WO2014151142A1 specifically claims inhibition of EZH2, with in vitro IC50 values vs. EZH2 for compounds 100-145 presented in Table 2. See also Garapaty-Ra et al. (2013) for further examples of EZH2/EZH1 inhibitors developed by Constellation Pharmaceuticals." . "GSK2879552 is an orally available, irreversible inhibitor of lysine specific demethylase 1 (LSD1; officially known as lysine demethylase 1A, KDM1A). It was investigated for potential to modulate epigenetic regulation in cancer, but the programme was terminated due to serious adverse events becoming evident in early trials . GSK2879552-induced LDS1 inhibition causes expression of proteins indicative of a differentiated immunophenotype. GSK2879552 is Example 26 claimed in patent WO2012135113 ." . "Mivebresib (ABBV-075) is a potent orally available BET inhibitor . BET inhibitors bind to the bromodomains of the bromodomain and extra-terminal motif (BET) proteins BRD2, BRD3, BRD4, and BRDT. This mechanism acts to prevent protein-protein interaction between BET proteins and acetylated histones and transcription factors. The action disrupts chromatin remodeling and inhibits expression of some growth-promoting genes which slows proliferation in susceptible tumours." . "TEN-010 (a.k.a. JQ2) is a BET inhibitor. Structurally it is an analogue of , with optimised chemical and biological properties. Development of TEN-010 was progressed by Roche, who acquired the originating biotech firm Tensha Therapeutics. Tensha claimed several bromodomain inhibitors in patent WO2016069578 . Despite being included in several clinical trials, across a range of solid tumours and haematologic malignancies, the chemical structure for TEN-010/RO6870810 has not been disclosed.
BET inhibitors bind to the bromodomains of the bromodomain and extra-terminal motif (BET) proteins BRD2, BRD3, BRD4, and BRDT. This mechanism acts to prevent protein-protein interaction between BET proteins and acetylated histones and transcription factors. The action disrupts chromatin remodeling and inhibits expression of some growth-promoting genes which slows proliferation in susceptible tumours." . "TUG-905 is a benzylamine agonist of the free fatty acid receptor 1 (FFA1). It is potent and selective in action . The mesylpropoxy group on the molecule improves ADME properties, likely by reducing lipophilicity." . "BAY1238097 is a BET inhibitor. BET inhibitors bind to the bromodomains of the bromodomain and extra-terminal motif (BET) proteins BRD2, BRD3, BRD4, and BRDT. This mechanism acts to prevent protein-protein interaction between BET proteins and acetylated histones and transcription factors. The action disrupts chromatin remodeling and inhibits expression of some growth-promoting genes which slows proliferation in susceptible tumours.
The chemical structure for BAY1238097 has not been disclosed. We will present the structure upon its disclosure." . "Pelabresib (CPI-0610) is an investigational BET inhibitor with anti-tumour potential . BET inhibitors bind to the bromodomains of the bromodomain and extra-terminal motif (BET) proteins BRD2, BRD3, BRD4, and BRDT. This mechanism acts to prevent protein-protein interaction between BET proteins and acetylated histones and transcription factors. The action disrupts chromatin remodeling and inhibits expression of some growth-promoting genes which slows proliferation in susceptible tumours." . "LSN2424100 is a potent orexin receptor antagonist (OX2 selective) with potential antidepressant-like action . Can be used as an experimental probe of OX2 receptor-mediated signaling." . "ACT-335827 is an orally available, brain penetrant, selective antagonist of orexin receptor type 1 (OX1) . The compound is a useful selective pharmacological tool for in vivo investigations, having reported stress relieving effects in animal models." . "Caplacizumab (ALX-0081) is a nanobody targeting (vWF) , with anti-thrombotic action . NanobodyTM technology was commercially developed by Ablynx. Nanobodies are antibody derivatives comprising only the single variable domains (variable heavy, VH) whilst retaining full antigen binding capacity. Their relatively small size (compared to complete antibodies) provides the potential for alternative modes of delivery and the possibility of brain penetrance.
Annotated peptide sequences for this therapeutuc are available from its IMGT/mAb-DB record. BLAST protein sequence analysis of the peptide sequence submitted with the INN document for caplacizumab reveals a 100% match with SEQ ID NO: 90 claimed in patent US7807162 , which is preferred humanized variant 12A2H1 in the patent document." . "BMS-986121 is a positive allosteric modulator (PAM) of the μ opioid receptor . It is one of the compounds claimed in patent WO2014107344 . BMS-986121 is built on a chemical scaffold representing a new chemotype for μ receptor PAMs ." . "This anti-ILT7 antibody is claimed in patent US8084585 , in which it is isolated from hybridoma ILT7#11. It was developed as a novel therapeutic for the treatment of autoimmune condtions. Note that ILT7 is interchangeable with the official gene symbol LILRA4." . "MM-151 is a mixture of three fully human IgG1 monoclonal antibodies, each of which targets a distinct (and nonoverlapping) epitope on the extra-cellular domain of the EGFR . This can be termed an oligoclonal agent. It was designed to target EGFRs with treatment-induced (acquired) resistance mutations that develop in cancer patients treated with the approved anti-EGFR monoclonals or . Development of the three antibody components is reported in ." . "BAY-320 is a Bub1 kinase inhibitor . This can be used as a tool compound for investigating Bub1 kinase function." . "BAY-524 is a Bub1 kinase inhibitor . This can be used as a tool compound for investigating Bub1 kinase function." . "Megestrol (commonly administered as the acetate ester: PubChem CID 11683) is a synthetic derivative of the female sex hormone progesterone. It has anti-estrogenic and antineoplastic activity." . "L779450 is a potent ATP competitive inhibitor of RAF kinases , with potential antineoplastic activity." . "ZM336372 is an experimental inhibitor of RAF kinases ." . "PLX8394 is an investigational orally available, next-generation small molecule RAF inhibitor . It has potential antineoplastic activity. Structurally, PLX8394 is similar to the first-generation BRAF inhibitor . PLX8394 inhibits wild-type and mutated forms of BRAF. PLX8394 and compounds like it have been termed 'paradox breakers' as they are designed to inhibit mutant BRAF kinase activity without activating the MAPK pathway in cells bearing upstream activation, as many of the original BRAF inhibitors are prone to do. PLX8394 is one of the compounds claimed in patent WO2014194127 , although as the images are unavailable or redacted it is impossible to precisely identify the structure in the patent documentation." . "Vanucizumab is an investigational bi-specific monoclonal antibody, with potential anti-neoplastic activity being developed by Hoffmann-La Roche . Vanucizumab simultaneously targets angiopoietin 2 (ANGPT2) and vascular endothelial growth factor A (VEGFA).
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record. BLAST seuqence analysis reveals 100% matches with peptide sequences claimed in patent US8945552 and likely identify XMab1 and XMab2 as candidates for vanucizumab ." . "Glesatinib is an orally available dual MET receptor tyrosine kinase and SMO (Hedgehog pathway) inhibitor . Negative regulation of the Hedgehog pathway seems to enhance the compound's antiproliferative activity in NSCLC with resistance to type I MET inhibitors." . "GSK583 is a potent and selective next generation inhibitor of receptor interacting serine/threonine kinase 2 (RIP2 kinase) . It is compound 27 in and compound 89 claimed in patent WO2011140442 . GSK583 can be used as a tool compound to investigate the role played by RIP2 kinase in NOD1 and NOD2 mediated pathology." . "Human NPS labelled with Cy5, a bright, far-red-fluorescent dye used for generating protein and nucleic acid conjugates for imaging, flow cytometry, and genomic applications. In Cy5-labeled hNPS is used for measuring receptor-ligand interaction in binding assays." . "MK-0893 is reported as a potent, reversible and competitive antagonist of the glucagon receptor, with anti-type II diabetes potential . X-ray crystallography shows that MK-0893 in fact binds to an allosteric site outside the seven transmembrane bundle ." . "SB-674042 is a non-peptide antagonist selective for the orexin 1 receptor (OX1) . See for further ligand binding characteristics. Compare with , a non-selective orexin receptor antagonist used clinically." . "Neoceptin-3 is a synthetic molecular Toll-like receptor 4 (TLR4) agonist mimetic . It bears no structural similarity with the endogenous ligand for TLR4, , and in fact the biologically relevant molecular target for neoseptin-3 is the TLR4/MD-2 (LY96) complex . This is one of the compounds claimed in patent WO2014131023 in which the compound's action as an immune system adjuvant is claimed. Neoceptin-3 is claimed for its ability to elicit an immune response via TLR4, without the toxicity exhibited by LPS . The S stereoisomer is specified in . The R stereoisomer is represented by PubChem CID 90371379." . "Neoceptin-4 is a synthetic Toll-like receptor 4 (TLR4) agonist . It bears no structural similarity with the endogenous ligand for TLR4, . This is one of the compounds claimed in patent WO2014131023 in which the neoceptin's action as an immune system adjuvant is claimed. Neoceptins are claimed for their ability to elicit an immune response via the TLR4, without the toxicity exhibited by LPS." . "Neuroendocrine peptide PEN is one of the peptide fragments cleaved from the pro-peptide ProSAAS (encoded by the Pcsk1n gene). Mouse PEN comprises amino acids 219-240 of the pro-protein. PEN activity in the brain is implicated in the regulation of feeding. PEN has been identified as an endogenous ligand for GPR83 . It is suggested that the PEN-GPR83 and -GPR171 ligand-receptor systems may be functionally coupled as a mechanism to regulate feeding." . "Rat PEN is one of the active fragments cleaved from pro-protein proSAAS. It is amino acids 221-242 of proSAAS. PEN appears to be involved in the regulation of feeding, possibly in concert with the -GPR171 ligand-receptor system ." . "Computational approaches discovered a previously unknown allosteric site on 15-lipoxygenase (15-LOX). PKUMDL_MH_1001 is reported as a positive allosteric modulator acting at this novel site . PKUMDL_MH_1001 increases levels of 15-LOX products and reduces production of pro-inflammatory mediators in human whole blood assays. The structure specified in 'supplementary data' has 2 unresolved stereo centres and there are 9 same connectivity records in PubChem.
This compound has potential to drive inflammation resolution by shifting the arachidonic acid metabolic pathway to the production of 15-LOX products such as lipoxins, and inhibiting production of pro-inflammatory mediators such as leukotrienes and prostaglandins." . "PF-8380 is reported as a novel autotaxin inhibitor for use as a tool compound for investigating the in vivo role of autotaxin and LPA in inflammation and in cancer . An ATX inhibitor compound named PF-8380 is claimed in patent WO2011151461 , but this has a different chemical structure from the entity we depict here and whch was disclosed in St-Coeur et al.'s primary publication ." . "Example 1.11 from patent WO2014139978 , which claims a series of autotaxin inhibitor compounds developed by Hoffmann-La Roche." . "Example 2 is an autotaxin inhibitor developed by Pfizer, and claimed in patent WO2013054185 ." . "Compound 74a is reported as an antaginist of transient receptor potential vanilloid 3 (TRPV3), optimised for pharmacological, physicochemical, and ADME properties . This represents a potent and selective tool compound for TRPV3 studies." . "BI-7273 (compound 1 in PMID: 26914985}, is a selective BRD9 inhibitor tool compound ." . "Compound 14j is a potent and selective inhibitor of neuronal nitric oxide synthase (nNOS) ." . "Compound 4 is a potent and selective fluorescent tracer for the free fatty acid receptor 1 (FFA1) . It incorporates the nitrobenzoxadiazole (NBD) fluorophore into a structure based on the FFA1 selective agonist, . Compound 4 binds competitively with selected synthetic FFA1 agonists, providing a useful tool compound for FFA1 kinetic studies and high throughput binding studies." . "Naldemedine (S-297995) is a dual μ/δ opioid receptor antagonist, designed to act peripherally (peripherally acting mu-opioid receptor antagonist or PAMORA) . It is used clinically for its ability to counteract opioid agonist-induced adverse effects such as constipation, nausea, and vomiting. Naldemedine was developed by Shionogi Inc. It is the compound claimed in patent WO2013172297 with formula IA (17-(cyclopropylmethyl)-6,7-didehydro-4,5α-epoxy-3,6,14-trihydroxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]morphinan-7-carboxamide 4-methylbenzenesulfonic acid) ." . "Crisaborole is a non-steroidal phosphodiesterase-4 (PDE4) inhibitor acting primarily against the PDE4B isozyme . It was developed by Anacor Pharmaceuticals for its potential anti-inflammatory action in skin conditions such as psoriasis and atopic dermatitis." . "As the ketamine (S) enatiomer esketamine is twice as potent and has a more medically useful pharmacological action than racemic . Part of this advantage arises from inhibition of dopamine transporters." . "This is the less active (R) isomer from the approved drug racemate of ." . "A recent (April 2016) report shows that the metabolism of racemic to hydroxynorketamine (HNK) is essential for its antidepressant effects, and that these reside in this entry as the (2R,6R)-HNK enantiomer. In mice these actions are independent of NMDAR inhibition and lack ketamine-related side effects. The (flat) rendering of HNK is PubChem CID 133669. The (2S,6S)-HNK is represented as PubChem CID 71519584 but this showed a decreased antidepressant effect compared to (2R,6R)-HNK." . "In March 2016 ogerin was reported and named as a selective GPR68 positive allosteric modulator (PAM) . It binds to the same allosteric binding site on GPR68 as . Ogerin potentiates proton activity in GPR68-mediated Gs-cAMP production via increasing both proton affinity (α-cooperativity) and efficacy (β-cooperativity)." . "BMS-986122 is a positive allosteric modulator (PAM) of the μ opioid receptor . It is one of the compounds claimed in patent WO2014107344 . BMS-986122 is built on a chemical scaffold representing a new chemotype for μ receptor PAMs ." . "BMS-986123 is a silent (or neutral) allosteric modulator (SAM) of the μ opioid receptor . It is one of the compounds claimed in patent WO2014107344 ." . "BMS-986124 is a silent (or neutral) allosteric modulator (SAM) of the μ opioid receptor . It is one of the compounds claimed in patent WO2014107344 ." . "Ulocuplumab is an IgG4 kappa anti-CXCR4 monoclonal, being developed by Bristol-Myers Squibb as a potential oncolgy therapeutic.
Peptide sequences and structural details for this antibody are available from its IMGT/mAb-DB record.
BLAST sequence analysis of the heavy and light chain peptide sequences of ulocuplumab, reveal identical matches with sequences claimed in patent US8450464 . This identifies clone F7GL as the likely candidate for ulocuplumab." . "Partially selective GC-B (NPR-B) antagonist that mediates a strong reduction of the maximum cGMP production and no changes of the EC50 values for CNP" . "Potent and competitive GC-B (NPR-B) antagonist" . "GCAP1 is a neuronal calcium sensor that confers Ca2+ sensitivity to guanylyl cyclase activity ." . "GCAP2 is a neuronal calcium sensor that confers Ca2+ sensitivity to guanylyl cyclase activity ." . "NCGC 84 is a competitive, selective, and brain penetrant NPS receptor antagonist . We show the parent molecule, which is used experimentally as the bromide (PubChem CID 46930969)." . "Compound 34h is an inhibitor of TTK protein kinase (a.k.a. MSP1), active in vivo and with satisfactory pharmacokinetics in rodents . It is one of the compounds claimed in patent WO2014037750 (example 77; (S)-N8-(3,3-dimethylbutan-2-yl)-N2-(2-methoxy-4-(1 -methyl-1 H-pyrazol-4- yl)phenyl)pyrido[3,4-d]pyrimidine-2,8-diamine)." . "Compound 51 is a potent and selective CDK8/19 inhibitor . It is one of the compounds claimed in patent WO2016009076 . Compound 51 hasa similar inhibitory potency as , but is built on a modified chemical scaffold . This is a type I inhibitor, binding in a DMG-in mode." . "Compound 20 is a type II inhibitor (binds in a DMG-out mode) of CDK8, with an improved selectivity profile compared to . It is one of the compounds claimed in patent WO2015049325 ." . "WZ4002 is a third generation EGFR inhibitor tool compound which potently inhibits the T790M EGFR mutant and suppresses the growth of cells bearing this mutation ." . "Olaratumab is a fully human anti-platelet-derived growth factor receptor α (PDGFRα) monoclonal antibody, developed by Eli Lilly (link to Lilly's olaratumab webpage here), originally developed by ImClone Systems, Inc. .
Peptide sequences and structural information for this antibody are available from its IMGT/mAb-DB record. BLAST peptide sequence analysis reveals identical matches with sequences 8 and 16 from patent US8128929, and directly to clone IMC-3G3 . From patent US8128929 it appears that the epitope recognised by olaratumab overlaps the PDGFRα binding sites for PDGF-AA and PDGF-BB." . "Rebastinib (DCC-2036) is an investigational orally administered kinase inhibitor, with activity against FLT3-ITD, TIE2, KDR, LYN, BCR-ABL and TRKA kinases. Yes1 inhibition is reported in . This compound has been termed a switch-control inhibitor as it binds to residues Arg386/Glu282 which ABL1 uses to switch between inactive and active conformations . Rebastinib inhibits native and phosphphorylated ABL by inducing a type II inactive conformation .
It is one of the compounds claimed in patent WO2008046003 and subsequent related patent applications. Rebastinib appears to be Example 1, whilst acknowledging the limitations and complexities applied in compound naming and structure provision in the patent document." . "Altiratinib is an oral, selective and potent inhibitor of MET, TIE2, VEGFR2 and TRK kinases, being investigated for its potential anticancer activity. This specific compound is claimed in patent WO2016061231 , and prior patent submissions.

A drug repurposing screen has identified altiratinib as a potential antiprotozoal agent . The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Ripretinib (DCC-2618) is an orally bioavailable, potent pan-KIT and PDGFRα kinase inhibitor that was developed by Dicephera Pharmaceuticals. It was designed for the treatment of malignancies that are driven by KIT and/or PDGFRα, for example gastrointestinal stromal tumors, glioblastoma multiforme and systemic mastocytosis. Ripretinib has activity across a broad range of resistance mutations in its target kinases, that emerge in response to imatinib treatment. Ripretinib binds to the 'switch pocket' of KIT, a domain that regulates the enzyme's catalytic conformation. Compounds that act in this way are often referred to as switch control inhibitors . Another example of a switch control inhibitor is .
The chemical structure shown here matches that supplied to the WHO for the INN, and this is claimed in patent WO2010051373 as Example 39. Note that some PubChem SIDs are linked to an incorrect structure (as represented in PubChem CID 46208890)." . "Probe 1.1 is a biased agonist for the κ opioid receptor . The compound was designed to preferentially bias KOR activation towards G protein signaling with minimal effects on βarrestin2 recruitment and downstream ERK1/2 activation." . "AC430 is an investigational, potent and selective small molecule inhibitor of janus kinase 2 (JAK2) being developed by Ambit (now owned by Daiichi Sankyo) for the treatment of cancer and autoimmune diseases. AC430 is the (R) optical isomer claimed in patent US8703943 , although the (S) isomer and racemate are also discussed in the patent descriptions." . "ARN726 is from a series of β-lactam derivatives that are potent, selective, and systemically active inhibitors of intracellular N-Acylethanolamine acid amidase (NAAA) by covalently binding the enzyme's catalytic cysteine. It exhibits anti-inflammatory effects in both mouse models and human macrophages . In the corresponding patent the structure seems to be example 5. There is a patchy SAR table for 106 structures on page 104 of the WO2014144836 PDF. The R isomer of this structure PubChem CID 86282216 is reported to be less active." . "C108297 is a selective glucocorticoid receptor (GR) modulator, which attenuates obesity by reducing caloric intake and increasing lipolysis and fat oxidation. In addition, it attenuates inflammation by reduced macrophage infiltration and pro-inflammatory cytokine expression in white adipose tissue (WAT), as well as in vitro LPS-stimulated TNFα secretion in macrophage RAW 264.7 cells . C108297 was originally reported as compound 52 ." . "The initial 2008 study looked at the effect of asymmetry in the lipid affinity of amphipathic helices in bihelical apoA-I mimetic peptides. The 5A sequence was able to solubilize phospholipid vesicles and stimulated cholesterol and phospholipid efflux by the ABCA1 transporter with high specificity . A later 2010 study showed that, like apoA-I, the 5A peptide inhibits acute inflammation and oxidative stress in rabbit carotids and human coronary artery endothelial cells. In vitro, the 5A peptide exerts these beneficial effects through interaction with ABCA1 . Data and peptide analogues related to the latter publication also appeared in patent US8148323 . A 2016 study indicates 5A peptide ameliorated murine colitis by preventing intestinal monocyte infiltration and activation, implying potential for IBD treatment (n.b. there are InChIKey missmatch and submission splitting issues with the current PubChem CID 121231406 entry that we hope to resolve)." . "Probe 2.1 is a biased agonist for the κ opioid receptor (KOR) . The compound was designed to preferentially bias KOR activation towards G protein signaling with minimal effects on βarrestin2 recruitment and downstream ERK1/2 activation." . "Clofazimine is a phenazine dye with anti-mycobacterial action (possibly via DNA binding) but is no longer perscribed in the US. It also has anti-inflammatory activities. State-dependent block of Kv1.3 channels by clofazimine offers therapeutic potential for selective immunosuppression in the context of autoimmune diseases in which Kv1.3-expressing T cells play a significant role .

SARS-CoV-2: A report in Nature has identified that clofazimine has anti-coronavirus activity, and that this is synergistic with the antiviral activity of . The drug was found to inhibit viral spike-mediated cell fusion and viral helicase activity in vitro, which translated to reduced pulmonary viral load, gut viral shedding and inflammation in an in vivo infection model. The authors suggest that their data supports the use of clofazimine in an outpatient setting for those infected with SARS-CoV-2, or for hospitalised COVID-19 patients if combined with remdesivir. Based on this evidence it is planned to progress clofazimine + remdesivir directly into Phase 2 clinical trial. A trial of clofazimine + interferon-1β is already underway." . "eCF506 is a potent and selective inhibitor of SRC family kinases, with activity against breast cancer cells in vitro and in vivo. Design and discovery of this compound is reported in ." . "CCT245737 is a potent, selective and orally available inhibitor of serine-threonine kinase CHK1 , with preclinical activity in RAS mutant non-small cell lung cancer and Eμ-MYC driven B-cell lymphoma ." . "Pepcan-12 (a peptide endocannabinoid) is reported as a negative allosteric modulator of the cannabinoid receptor type 1 (CB1 receptor) . Pepcan-12 has identical sequence to the α-hemoglobin-derived dodecapeptide RVD-hemopressin (RVDPVNFKLLSH), proposed as a brain-derived endogenous agonist of CB1 receptors ." . "HS665 is a highly potent and selective κ opioid receptor agonist ." . "Compound 3 is a partial agonist of the κ opioid receptor ." . "Zyklophin is a cyclic analogue of dynorphin A-(1−11) with antagonist action selective for the κ opioid receptor. Structure, synthesis and function is described in , where it is peptide 2. The peptide is brain-penetrant, and has a relatively short duration of action compared to established small-molecule selective KOR antagonists such as ." . "LY2456302 is a potent small molecule, centrally-penetrant, selective antagonist of the κ opioid receptor, with potential antidepressant-like effects . It is claimed in patent WO2009094260 ." . "Clazakizumab is an investigational, aglycosylated, humanized (from a rabbit parental antibody) monoclonal antibody targeting interleukin-6, with anti-inflammatory potential .
Peptide sequence and structural information for this antibody are available from its IMGT/mAb-db record. BLAST peptide sequence analysis reveals identical matches with peptides claimed in patent US8062864 . Results presented in the patent show that the preferred antibodies block interaction of IL-6 with the IL-6 receptor, but no precise binding affinity data is provided." . "Olmutinib from Hanmi Pharmaceutical, approved in South Korea for lung cancer, targets mutant epidermal growth factor receptor (EGFR) selectively over wild-type. It is reported as an oral, third-generation EGFR tyrosine kinase inhibitor (binding covalently), however there is no published, peer-reviewed data to confirm this. The potential for using third-generation EGFR inhibitors in EGFR-mutated non-small lung cancer is reviewed by Russo et al. (2017) . Olmutinib is claimed in patent WO2011162515 . Full text descriptions and structure images are available in US20130116213 , where it is identified as Example 1 (N-(3-(2-(4-(4-methylpiperazin-1-yl)phenylamino)thieno[3,2-d]pyrimidin-4-yloxy)phenyl)acrylamide). Note we updated this entry in Nov 2016 with the removal of the incorrect synonyms HM-71224 and LY3337641 which refer to a blinded Hanmi BTK inhibitor ." . "This Merck BACE1 inhibitor, compound 9 (MBi-4), robustly lowers CSF and cortex Aβ40 in both rats and cynomolgus monkeys . The clinical status is unclear with respect to from Merck in Phase III for which it could be a back-up. More details in this blogpost." . "Compound 15b is an antagonist of cysteinyl leukotriene G protein-coupled receptors CysLT1 and CysLT2 . It is approximately 200-fold selective for CysLT2 compared to CysLT1 in vitro." . "Compound 4g is a GSK-3β inhibitor with anti-inflammatory activity ." . "Asprosin was first reported in 2016 as a fasting-induced protein hormone that modulates hepatic glucose. It is released as the C-terminal cleavage product of profibrillin (P35555). It is secreted by white adipose, circulates at nanomolar levels, and is recruited to the liver, where it activates the G protein-cAMP-PKA pathway, resulting in rapid glucose release into the circulation. The molecular mechanism is unknown but it is suggested asprosin uses a cell-surface receptor system distinct from those used by glucagon and catecholamines . A study published in 2017 suggests that in addition to performing a glucogenic function, asprosin is a centrally acting orexigenic hormone that is a potential therapeutic target in the treatment of both obesity and diabetes . The authors have also filed a patent claiming the potential use of asprosin (or an antobody or inhibitor of asprosin) for the maintenance of optimal body weight and blood glucose ." . "PAO inhibits type III PI 4-kinases, whereas it is relatively ineffective against the type II in in vitro kinase assays. Among the type III enzymes, PI4KIIIα is significantly more sensitive to PAO than the type IIIβ form ." . "BPS-804 is a fully human investigational monoclonal antibody targeting sclerostin (SOST), being developed by Mereo BioPharma and which is designed to improve bone density. BPS-804 is one of the clinical assets acquired from Novartis, in exchange for equity in Mereo BioPharma.
Development of anti-sclerostin antibodies by Novartis is claimed in patent WO2009047356 , although we cannot definitively conclude that BPS-804 is claimed within that patent application.
The potential of sclerostin as a therapeutic target in bone diseases is reviewed by Lewiecki (2014) ." . "Acumapimod (BCT-197) is an orally active p38 mitogen activated protein kinase inhibitor with potential anti-inflammatory action. This compound is claimed in patent WO2013139809 and in patent WO2005009973 as EXAMPLE 52 ." . "EGF816 is an irreversible and selective inhibitor of EGFRs harbouring gatekeeper T790M, and sensitising L858R mutations, whilst sparing the wild-type receptor (such compounds are termed third generation EGFR tyrosine kinase inhibitors) . It has been developed to overcome acquired resistance to, and side-effect liabilities of first and second generation EGFR inhibitors in non-small-cell lung cancer (NSCLC). Small-molecule EGFR T790M inhibitors and the development of novel compounds in the discovery pipeline are reviewed by Song et al. (2016) .
EGF816 is claimed in Novartis' patent WO2015085482 , where it is named (R,E)-N-(7-chloro-l-(l-(4-(dimethylamino)but-2-enoyl)azepan-3-yl)-lH-benzo[d]imidazol-2-yl)-2-methylisonicotinamide, which resolves to the IUPAC name presented here.
Preclinical characterisation is reported in ." . "Compound 13 is reported as a DOT1L inhibitor, with a novel chemical structure, distinct from that of (EPZ-5676) . Compound 13 acts as a SAM-competitive inhibitor, binding to an induced pocket adjacent to the SAM binding site." . "The discovery of the so-called STING agonist G10 by high throughput in vitro screening is reported in . However, the authors could find no evidence of direct G10 binding to STING, despite experiments showing it being essential for the antiviral effects of the compound. The identity of the protein or factor engaged by G10 which stimulates the STING-dependent response is still being investigated." . "2'3'-cGAMP is produced in mammalian cells by the action of cyclic guanosine monophosphate (GMP)-adenosine monophosphate (AMP) synthase (cGAS) upon detection of double-stranded DNA in the cytosol that originates for example, from tumours or viruses. It is the endogenous agonist of the human STING protein , but appears not to activate mouse Sting. STING activation at the endoplasmic reticulum triggers type-I IFNs production by the innate immune response ." . "EAI045 is an allosteric inhibitor of mutant forms of the EGFR found in lung cancers whilst sparing the wild-type receptor . Allosteric inhibitors are being developed to overcome acquired resistance to current EGFR tyrosine kinase inhibitors which bind to the ATP pocket of the enzyme, which is the location of the many identified resistance mutations." . "Fremanezumab (TEV-48125) is a humanised IgG2a monoclonal antibody targeting calcitonin gene-related peptide (CGRP) , a peptide known to play a role in causing migraines. TEV-48125 was originally formulated as an intravenous agent, but has been re-formulated to allow sub-cutaneous administration. Anti-CGRP antibodies are being developed as an alternative to CGRP receptor antagonists (such as ) which have already been shown to effectively reduce migraine headache and inhibit neurogenic vasodilatation in humans, and validated the CGRP/CGPR pathway as a target for the acute and preventive treatments of migraine . Anti-CGRP antibodies have the advantage of longer half-lives compared to small molecule antagonists and are expected to exhibit fewer toxicities attributed to off-target interactions, toxitities which have thwarted the development of CGRP receptor antagonists.
The original patent claiming anti-CGRP antibodies held by Rinat Neuroscience Corp. who originally developed TEV-48125 (as RN307) is WO2007054809 .
Fremanezumab is the second CGRP/CGPR pathway targeting agent to receive marketing authorisation, following approval of the anti-CGPR monoclonal earlier in 2018." . "Zolbetuximab (IMAB362) is an investigational, first-in-class monoclonal antibody targeting the cell surface molecule claudin18.2 (CLDN18.2), a pan-cancer drug target . Claudin-18 is a tight-junction protein. Splice variant 2 is reported to be a highly selective cell lineage marker of gastric mucosal cells, and it is an active molecular target for tumour-targeted immunotherapy . CLDN18.2 is retained on malignant transformation and is expressed in a significant proportion of primary gastric cancers and their metastases, and ectopic expression of CLDN18.2 is identified in distinct histologic subtypes of pancreatic (primary tumour and metastases) , esophageal, ovarian, and lung tumours . Zolbetuximab binds to the first extracellular N-terminal domain which is unique to the CLDN18.2 splice variant ." . "Ulixertinib is an orally available, ATP-competitive inhibitor of the serine/threonine kinases extracellular signal-regulated kinase (ERK) 1 (MAPK3) and 2 (MAPK1), being investigated for anticancer activity in solid tumours and hematological malignancies carrying mutations in the MAPK signaling pathway, which renders them highly reliant on ERK for survival and growth. It is being developed by BioMed Valley Discoveries. This is one of the compounds claimed in patent WO2005113541 , where it is identified as I-9.
The INN record specifies the (1S) stereoisomer as ulixertinib." . "Semapimod is an experimental anti-inflammatory compound. Structurally it is a tetravalent guanylhydrazone. The endoplasmic reticulum-localized chaperone gp96 (HSP90B1; P14625), which is involved in the biogenesis of Toll-like receptors (TLRs), is reported to be a molecular target of semapimod .
Note that we have drawn the molecule as specified by the IUPAC name submitted to the WHO as proposed INN (list 89). CHEMBL2107779 and PubChem CID 5745214 represent alternative tautomers." . "RapaLink-1 is a new-generation bivalent (bitopic) mTOR inhibitor, comprising a rapamycin-FRB-binding element (, a.k.a. rapamycin) linked to an ATP binding site competitive TORKi (, a.k.a. MLN0128) via a PEG linker . RapaLink-1 is able to overcome resistance to TORKis of mutant mTOR proteins in vitro, inhibiting proliferation MCF-7 cells at levels comparable to rapamycin or a combination of rapamycin and MLN0128." . "Briakinumab is a recombinant, fully human, IgG1 investigational monoclonal antibody targeting the shared p40 subunit of IL-12 and IL-23. Peptide sequences matching those of briakinumab are claimed in patent US6914128 'Human antibodies that bind human IL-12 and methods for producing' ." . "Rotigaptide is a hexapeptide developed originally by Wyeth, as an anti-arrhythmic agent. It promotes electrical coupling between ventricular myocytes by increasing gap junction conductance . A recent study showed reduction in myocardial infarction size in a porcine model and protection from IRI-related endothelial dysfunction in man. Rotigaptide may thus have therapeutic potential in the treatment of myocardial infarction ." . "Benperidol is a butyrophenone antipsychotic, with general properties similar to those of ." . "Periciazine is a phenothiazine antipsychotic. It has anti-dopaminergic, adrenolytic, anticholinergic, metabolic and endocrine effects." . "Ivosidenib (AG-120) is an orally active, selective inhibitor of isocitrate dehydrogenase 1 (IDH1) , in particular with activity against IDH1 R132H or R132C mutants. It is one of the compounds claimed in Agios' patent WO2013107291, where it is Compound 176 . It is structurally related to also from Agios." . "Compstatin is a cyclic 13 amino acid peptide inhibitor of complement component 3 (C3) . Compstatin and analogues are being examined for immunomodulatory activity in inflammatory and degenerative diseases ." . "AL-78898A is an investigational analogue of , which acts as an irreversible inhibitor of complement component 3 (C3). C3 inhibitors are being actively investigated for clinical potential in inflammatory and degenerative diseases ." . "Cp40 is a 14 amino acid analogue of the cyclic peptide . Like compstatin, Cp40 is an inhibitor of complement component C3 (C3). C3 inhibitors are being actively investigated for clinical potential in inflammatory and degenerative diseases . Cp40 has shown effective C3 inhibition in C3 glomerulopathy (C3G) in vitro . C3 glomerulopathies are a group of ultra-rare renal diseases caused by uncontrolled activation of the alternative complement pathway, for which there are no disease-specific treatments." . "Azapro-3 is a synthetic, selective and reversible peptide inhibitor of proteinase 3 . Competes competitively with enzyme substrate and is proteolytically stable. It does not inhibit neutrophil elastase, cathepsin G, chymotrypsin or granzyme B." . "BAS-118 is an experimental benzamide derivative with antibacterial activity ." . "Compound 16 is a novel, potent and selective sphingosine-1-phosphate receptor 2 (S1P2 receptor) antagonist . The series of compounds including 16 is claimed in patent WO2013047701 ." . "Structural studies have shown that thalidomide class immunomodulatory drugs bind in a shallow hydrophobic pocket on the surface of cereblon, that is mediated by a glutarimide ring of the ligand. Binding of small molecules to cereblon can alter its substrate specificity . Thalidomide and its related drugs enhance recruitment of Ikaros and Aiolos to the E3 ubiquitin ligase complex. CC-885 has a different mechanism of action compared to , and . The anti-tumour activity of CC-885 is mediated through the cereblon-dependent ubiquitination and degradation of the translation termination factor GSPT1. Patient-derived acute myeloid leukaemia tumour cells exhibit high sensitivity to CC-885, indicating the clinical potential of this mechanism ." . "Lisophylline is an active metabolite of . The compound has novel anti-inflammatory properties, likely through inhibition of IL-12 signalling and STAT-4 activation . It is reported to prevent type 1 diabetes in preclinical models and improve the function and viability of isolated or transplanted pancreatic islets . Evidence suggests that combined treatment with lisofylline (for its anti-inflammatory action) and exendin-4 (to enhance beta-cell proliferation) can reverse autoimmune diabetes in the non-obese diabetic (NOD) mouse model ." . "Molecular superpositions on previously developed pharmacophore models predicted a suitable position for a methoxy group on a tetrahydroquinoline ring. This lead to the optimisation of a benzyl derivative 8a (UCM1014) with a melatonin receptor MT2 Ki of 0.001 nM and more than 10000-fold selectivity over MT1, as a full agonist tool compound . This is compared with other modulators in a recent melatonin receptor review ." . "HSP90B1 is involved in the regulation of a restricted number of proteins and represents a potential target in many diseases. In the reference for this entry 18c had IC50 of 220 nM, selectivity for HSP90B1 over other paralogs and biological activity in several cellular models of inflammation as well as cancer ." . "PNU-288034 is an experimental oxazolidinone compound with antimicrobial activity ." . "PF-06767832 (compound 38) is an orally bioavailable, positive allosteric modulator (PAM) selective for the M1 muscarinic acetylcholine receptor (CHRM1) . It is one of the compounds claimed in patent WO2016009297 . M1 receptor PAMs are being designed for their potential to provide novel therapies for the treatment of M1-mediated diseases and disorders such as Alzheimer's disease." . "Ravoxertinib (GDC-0994) is an orally available, small molecule selective inhibitor of extracellular signal-regulated kinase 1/2 (ERK1/2) in early clinical development . It is compound 22 in . ERK1 is formally known as mitogen-activated protein kinase 3 (MAPK3) and ERK2 as mitogen-activated protein kinase 1 (MAPK1). GDC-0994 is example 39 claimed in patent WO2013130976 ." . "Compound 6j is a preclinical, orally available and selective inhibitor of discoidin domain receptor 1 (DDR1) . The compound has a favourable pharmacokinetic profile." . "Taranabant is a cannabinoid CB1 receptor antagonist/inverse agonist , with anorectic action. It was investigated for its potential as a novel weight management therapeutic in obese and overweight patients." . "Compound 11 [PMID: 15261275] is a selective, nonpeptidic, small molecule antagonist of orexin receptor 2 (OX2R) . Such compounds are useful tools for investigating the physiological importance of OX2R, and in particular its role in modulating the sleep/wake cycle." . "Otenabant is a selective cannabinoid CB1 receptor antagonist, which was investigated in clinical trials (as the hydrochloride salt - PubChem CID 16223963) for its potential anorectic action in the treatment of obesity." . "Surinabant is a selective, orally active cannabinoid CB1 receptor antagonist , investigated for potential use as an aid to smoking cessation. CB1 receptor antagonists may have clinical potential in other addictions (e.g. alcoholism ) or conditions such as attention deficit hyperactivity disorder (ADHD) ." . "Ibipinabant is a selective cannabinoid CB1 receptor antagonist , investigated for its clinical potential as an anti-obesity drug." . "Nonabine is a selective cannabinoid CB1 receptor agonist, investigated for its antiemetic action." . "Compound 4g [PMID: 22220592]) is a potent, efficient, selective, and orally active 1,2,4-triazine derivative ligand. Heptares identified this compound using structure-based drug design approaches to discover antagonists of the adenosine A2A receptor . The X-ray crystal structure of 4g locates it inside the receptor's orthosteric binding cavity ." . "GAT100 is a potent negative allosteric modulator (NAM) of the cannabinoid CB1 receptor, which exhibits irreversible binding . GAT100 can be utilised as a covalent probe for mapping structure-function characteristics, which define the druggable CB1 receptor allosteric binding site. GAT100 is one of the compounds claimed in patent WO2015027160 ." . "Compound 27f is an orally active, potent and selective chemical probe inhibitor of TTK protein kinase (a.k.a. MPS1) ." . "ZCZ011 was synthesized as a possible positive allosteric modulator (PAM) of the cannabinoid CB1 receptor . It has subsequently been described as an ago-PAM, which is a ligand that displays both direct agonist activity and PAM activity . It is a derivative of the confirmed CB1 receptor ago-PAM ." . "AGI-5198 is a selective inhibitor of R132H mutated metabolic enzyme, isocitrate dehydrogenase 1 (IDH1) . R132H is a mutation found in multiple human cancers which is responsible for the generation of the oncometabolite R-2-hydroxyglutarate (R-2HG). Inhibition of R132H IDH1 is being examined for antineoplastic activity. This corresponds to example 165 in a patent from Agios who also filed on (but both with binned activity values). This has a Probe Portal entry SGC AGI-5198." . "TX1-85-1 is reported as a selective, irreversible ERBB3 (HER3) ligand . The ligand binds covalently to Cys721 located in the enzyme's ATP-binding site, a position unique to ERBB3, compared to all other kinases. It was tested in preclinical studies." . "TX2-121-1 is a functional analogue of . It acts to inhibit HER3-dependent signalling and growth, likely due to the effect of the conjugated hydrophobic adamantine group which is believed to target HER3 for proteasome-mediated degradation. Targeted degradation reduces the amount of HER3 available to form the HER3 heterodimers believed to be required for cellular activity." . "EPZ020411 is a research tool compound which is a potent, and selective inhibitor of protein arginine methyltransferase 6 (PRMT6) ." . "Utomilumab is a fully human IgG2 monoclonal antibody with agonist activity at the tumour necrosis factor (TNF) receptor, 4-1BB (TNFRSF9), being investigated for potential clinical anti-tumour activity .
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "Vonlerolizumab (MOXR0916) was an investigational humanized anti-human OX40 monoclonal, with reported preclinical efficacy . Genentech terminated their Phase 2 trial NCT03029832 and have discontinued further development." . "Upadacitinib (ABT-494) is a novel second generation orally active Janus kinase inhibitor with high JAK1 selectivity . The chemical structure is claimed as compound 1 in Abbvie's patent WO2015061665 . It was developed for potential clinical efficacy in multiple autoimmune diseases. Its first approval was for the treatment of rheumatoid arthritis ." . "Vamorolone (VBP15) is a novel, oral non-hormonal steroid modulator, that is being investigated in Duchenne muscular dystrophy. It is a multi-functional drug that exhibits anti-inflammatory, membrane stabilisation, and mineralocorticoid receptor antagonist activities. Vamorolone is being proposed as a potential replacement for the corticosteroids that are currently used in DMD, as it appears to cause fewer of the common corticosteroids adverse effects ." . "ASP8273 is a third generation EGFR inhibitor, targeting T790M / L858R mutants. It is a structural match to example 54 in patent WO2013108754 ." . "Rosiptor (AQX-1125) is an investigational allosteric activator of the SH2 domain-containing inositol 5'-phosphatase 1, SHIP1 (HGNC gene symbol INPP5D) . SHIP1 is a negative regulatory phosphatase in the PI3K pathway, a signalling pathway that plays a central role in cellular activation, proliferation, and survival, and which is strongly implicated in inflammatory disorders and cancer. Agonists that activate SHIP1 are being actively developed (as alternatives to direct PI3K inhibitors) for their potential anti-inflammatory action. AQX-1125 is claimed in patent WO2014158654, where it appears to be referred to as compound 9 (without the acetate) ." . "Erenumab (erenumab-aooe, AMG-334) is a first-in-class fully human monoclonal antibody targeting the calcitonin gene-related peptide receptor (CGRPR) (and the first approved GPCR targeted monoclonal). Antibody production was initiated by immunising mice with polypeptides from the N-terminal extracellular domains of human CRLR and human RAMP1, which are subunits of the CGRPR protein complex. Erenumab is used clinically to prevent migraine headache. The selectivity of erenumab for the CGRPR vs. the AMY1 receptor has not been fully established.

Anti-CGRPR antagonistic monoclonals are being developed in place of non-peptide small molecule CGRPR antagonists as these have suffered from hepatotoxicity liability (although this has been largely overcome by using different chemotypes) when tested as migraine prophylactics. Antibodies have the positive attributes of being able to span the relatively large binding domain across the CGRPR complex to provide effective blockade, offer the potential for selectivity given the similarity with other receptors in the family, and exhibit a prolonged serum half-life which facilitates longer dosing intervals ." . "BMX-IN-1 is a selective and irreversible inhibitor (8nM IC50) which covalently modifies Cys496 in the BMX kinase and exhibits antiproliferation efficacy against prostate cancer cells . This compound has a Probe Portal entry SGC BMX-IN-1. A series of analogues of this structure with activity data are disclosed in a 2014 patent " . "Compound 86 is reported as a selective inhibitor of sirtuin 2 (SIRT2) , a NAD-dependent protein deacetylase with protective effects neurodegenerative disease. Compound 86 is shown to be competitive with NAD+ and the enzyme's peptide substrate, with acceptable blood-brain barrier penetrance (a property essential for any drug being developed for neuroprotective activity).

Drug-like SIRT2 inhibitors are being developed to determine if SIRT2 blockade could be of clinical benefit in Parkinson's disease ." . "Compound 24 is one of the clinical lead C-C motif chemokine receptor 9 (CCR9) antagonists reported in . It is also one of the compounds claimed in patent WO2015097121 . CCR9 modulators (e.g. antagonists, partial agonists or inverse agonists) are of clinical interest for their potential to treat, prevent or ameliorate condtions such as inflammatory bowel disease (IBD), in which CCR9 activation is believed to be associated with the pathology. Compound 24 exhibits an improved pharmacokinetic (PK) profile compared to the prototype CCR9 antagonist ." . "Peptide 30 is a synthetic tetrapeptide reported to occupy the arachadonic acid binding site of cyclooxygenase 2 (COX-2) to bring about enzyme inhibition with an antiinflammatory/analgesic outcome . Docking studies suggest that peptide 30 can occupy the active site of inducible nitric oxide synthase (iNOS; iNOS being well documented in pain mechanisms), although the COX-2 interaction is considered to be the major contributor to both the analgesic and antiinflammatory effects of the peptide in vivo." . "GSK2245035 is reported as a selective Toll-like receptor 7 (TLR7) agonist, with potential clinical action as an intranasally administered anti-asthmatic . It is Example 22 claimed in patent WO2010018133 .

The TLR7- IFNα pathway is a novel pathway being investigated for pharmacological intervention in allergic asthma." . "3M-002 is reported as a selective Toll-like receptor 8 agonist, which promotes TNF-α and IL-12 production from human PBMCs ." . "Context of this referenced study is testing the F16357 antagonism of PAR1 in rat bladder under inflammatory conditions, in particular to prevent the pathophysiological symptoms of cyclophosphamide-induced interstitial cystitis (IC) ." . "AZD8848 is an investigational agonist, selective for Toll-like receptor 7 (TLR7) . It is Example 2-37 claimed in patent US20140045837 ." . "AM7499 is a non-selective cannabinoid receptor agonist . It has been designed to be readily hydrolysed by plasma esterases (to shorten its duration of action; such compounds are being called 'controlled-deactivation cannabinoids') and to be less prone to deposition in bodily fat than existing classical cannabinoid agonists. This strategy has been adopted to produce cannabinoid agonists with improved drug-like qualities and potentially a more favourable safety profile." . "This reference looks at the specificity of HSP90 inhibitors . BIIB021 exhibits antitumour activity in preclinical models, has maximum (2nM) potency against HSP90α (HSP90AA1) but cross-reacts between the four paralogues tested ." . "SGC2085 is a selective inhibitor of the protein arginine N-methyltransferase, coactivator associated arginine methyltransferase 1, CARM1 (a.k.a. PRMT4) . PRMT4 is reported to be involved in neoplastic transformation in colorectal cancer, and in estrogen-stimulated breast cancer growth. The selectivity of SGC2085 provides a useful tool compound to validate this PRMT as a therapeutic target." . "SNX-2112 is an orally available, Hsp90 inhibitor that exhibits antitumour activity in vitro. It has an EC50 for inhibition of α-synuclein (αSyn) oligomerization of approximately 48 nM and was able to rescue αSyn-induced toxicity . This suggests its possible use in Parkinson's disease and other neurodegenerative disorders linked to protein misfolding. A more recent publication has looked at the specificity of this and other inhibitors between HSP90 paralogues . In another study this inhibitor also significantly reduced the cytotoxicity of NK cells by decreasing viability, inducing apoptosis and down-regulating the expression of cytokines and functional receptors, suggesting a potential immunosuppressant strategy ." . "Luminespib (NVP-AUY922) is an intravenous HSP90 inhibitor with the potential to target a range of cancers. Discovered during a research collaboration with Novartis, Vernalis is now looking to partner the programme. We have drawn the structure as depicted in its INN record. Other chemistry resources show alternative tautomers. For example, PubChem CID 10096043 matches on CAS registry number, but is a structural tautomer." . "LFM-A13 is a potent, cell-permeable, reversible, substrate competitive, and specific inhibitor of Bruton's tyrosine kinase (BTK) . It was the first reported BTK-selective tyrosine kinase inhibitor and the first anti-leukemic agent targeting BTK. Investigated preclinically for B-cell non-Hodgkin's lymphoma .
Structurally LFM-A13 is an analogue of a metabolite of the antirheumatic drug . The Mahajan et al. article also reports a three-dimensional homology model suggesting an energetically favorable position of LFM-A13 docked within BTK's catalytic site ." . "GDC-0834 was identified as a clinical candidate antiinflammatory Bruton's tyrosine kinase (BTK) inhibitor, through SAR guided improvements to the pharmacokinetic (PK) properties of the potent and selective BTK inhibitor . GDC-0834 retains CGI1746's selectivity but exhibits significantly improved PK in preclinical animal models . Studies suggest the involvement of aldehyde oxidase (AO) in the rapid amide hydrolysis of GDC-0834 to an inactive metabolite , which severly impacted on its ability to sustain beneficial clinical effects. Significant species difference in AO-induced inactivation of GDC-0834 are reported and explain why this was not picked up during preclinical studies . Clinical development was terminated, with the manufacturer using insight gained to inform their search for improved inhibitors." . "GnRH peptide agonist" . "CGI560 is a potent, reversible Bruton's tyrosine kinase (BTK) inhibitor, that was tested preclinically for potential clinical utility in inflammatory diseases and B cell malignancies. Structure depicted in . Hit-to-lead chemistry based on CGI560's structure resulted in the discovery of , with improved potency and selectivity ." . "Tirabrutinib (ONO-4059) is a potent, reversible Bruton's tyrosine kinase (BTK) inhibitor. It is one of the compounds claimed in patent WO2013081016A1, where Example 9 is tirabrutinib hydrochloride ." . "CNX-774 is a selective, orally available and irreversible (covalent) Bruton's tyrosine kinase (BTK) inhibitor, tested preclinically for autoimmune diseases, and B-cell non-Hodgkin's lymphoma. Its chemical structure is shown in . CNX-774 forms a covalent bond with Cys481 within the active site of the enzyme." . "Dihydrexidine is a moderately selective full agonist at the dopamine D1 and D5 receptors. Currently undergoing clinical trials to assess its efficacy in improving the cognitive and working memory deficits in schizophrenia and schizotypal disorder. Results of a proof-of-principle study are reported in ." . "AZ191 is a potent and selective small molecule inhibitor of DYRK1B from AstraZeneca . Results of a 2014 study using AZ191 indicate DYRK1B is a novel Thr(286)-CCND1(cyclinD1) kinase that acts independently of GSK3β to regulate the mammalian G1-S-phase transition. This compound is included in the Probe Portal as SGC AZ191. It was tested in preclinical studies." . "Mps1, a dual-specificity kinase, is required for the proper functioning of the spindle assembly checkpoint and for the maintenance of chromosomal stability. MPS1-IN-1 leads to defects in Mad1 and Mad2 establishment at unattached kinetochores, decreased Aurora B kinase activity, premature mitotic exit and gross aneuploidy. In addtion inhibitor treatment resulted in a decrease in cancer cell viability . While this is included in the Probe Portal as SGC MPS1-IN-1, it is superceded by more potent and specific compounds." . "Setmelanotide is an agonist of melanocortin receptors, with approximately 20-fold selectivity for the melanocortin 4 receptor subtype . Chemically it is an eight-amino-acid cyclic peptide, that is able to cross the blood-brain barrier when administered peripherally. Setmelanotide offers anti-obesity potential.
The INN record documents the sequence as N2-acetyl-L-arginyl-L-cysteinyl-D-alanyl-L-histidyl-D-phenylalanyl-L-arginyl-L-tryptophyl-L-cysteinamide, cyclic (2-8)-disulfide." . "EPZ011989 is a 3nM selective, orally bioavailable inhibitor of EZH2 with tumor growth inhibition in a mouse xenograft model of human B cell lymphoma . It has a Probe Portal entry SGC EPZ011989." . "Leucomethylthioninium complexed with bromide or methane sulfonate (LMTX) was designed as a methylthioninium chloride (MTC, or methylene blue) analogue with improved pharmacokinetic properties . MTC and LMTX are tau aggregation inhibitors with potential in Alzheimer's disease (AD) and other tau-opathies. We believe this is the compound being investigated in Phase 3 clinical trials as TRx0237." . "The MAPT gene transcript undergoes complex, regulated alternative splicing. Different splice variants are expressed in different neurons and at different stages of neuronal maturation. The 757 amino acid isoform 1 contains three tau/MAP repeats which mediate tau interaction with tubulin (isoforms with four tau/MAP repeats are also reported).

MAPT gene polymorphisms are reported to predispose to neurodegenerative diseases including Alzheimer's disease (AD), Pick's disease and frontotemporal dementia . These types of conditions are known as tauopathies. The neurofibrillary tangles detected in AD brains are made up of pathologic paired helical filaments composed in large part of a truncated 100-amino-acid fragment of tau protein .

So far we have annotated three types of target relationships for tau protein:
1) aggregation antagonists/inhibitors (e.g. )
2) imaging reagents for detection (e.g. )
3) anti-tau monoclonal antibodies (e.g. )

In addition to zagotenemab, other clinical stage mAbs that target tau include gosuranemab (BMS-986168/BIIB092; for progressive supranuclear palsy PSP- development terminated, primary endpoint was not met in Phase 2), semorinemab (RO-7105705; for AD), tilavonemab (ABBV-8E12; for PSP and AD) and bepranemab (UCB0107; originally in development for PSP)." . "Toreforant is a selective histamine H4 receptor antagonist claimed as Example 7 in patent WO2007117399 . It is being investigated for its potential antiinflammarory action in allergy, asthma, autoimmune diseases, and pruritis." . "Timapiprant (OC000459) is a potent, selective, and orally active DP2 receptor antagonist ." . "Tradipitant is an orally available antagonist of the NK1 subtype of tachykinin receptors. It is Example 132 claimed in patent WO2003091226 . Tradipitant is being investigated for potential anti-pruritic action in patients with atopic dermatitis." . "Asimadoline is an orally active, selective kappa-opioid receptor agonist. It exhibits little blood-brain barrier penetrance so is considered peripherally acting. Asimadoline has demonstrated efficacy in several preclinical pruritus models, and has been investigated as a therapy for irritable bowel syndrome." . "GnRH peptide agonist" . "Serlopitant is a potent, brain-penetrant neurokinin (NK1) receptor antagonist , being investigated for antiinflammatory action. It has more favourable pharmacology than the approved NK1 antagonist ." . "Fezakinumab is a fully human monoclonal anti-IL22 antibody being investigated for clinical antiinflammatory utility against acute and chronic conditions.
Peptide sequence and structural information for this antibody are available from its IMGT/mAb-db record. Peptide sequences identical to those of the heavy and light variable regions of fezakinumab are claimed in patent US7811567, leading to identification of clone 356A11 as fezakinumab ." . "U-47700 is a selective μ-opioid receptor agonist , with in vivo effects similar to other potent opioid agonists (analgesia, sedation, euphoria, constipation and respiratory depression). Illicit use and fatalities caused by U-47700 has prompted action to schedule the compound or make it illegal in some jurisdictions." . "TG6-129 is a selective prostanoid EP2 receptor antagonist probe . As it does not the blood brain barrier it is a useful tool for investigating peripheral anti-inflammatory mechanisms of EP2 antagonism. Peripherally acting EP2 antagonists are being investigated for clinical potential in chronic inflammatory diseases such as rheumatoid arthritis and chronic obstructive pulmonary disease (COPD)." . "TP508 is a synthetic 23 amino acid peptide corresponding to amino acids 183 to 205 of the endogenous wound healing molecule human thrombin . TP508 has been investigated as an activator of soft and hard tissue repair , and for its potential to mitigate tissue damage caused by radiation exposure . TP508 may also provide an alternative to stem cell therapy in regenerative medicine." . "GnRH agonist peptide" . "PRN694 is a small molecule, covalent inhibitor somewhat selective for the TEC family kinases, IL-2-inducible T cell kinase (ITK) and TXK tyrosine kinase (also known as resting lymphocyte kinase or RLK) . In vitro PRN694 is a potent inhibitor of Th1 and Th17 differentiation and cytokine production (IFN-γ production for Th1 and IL-17A for Th17), and in vivo PRN694 markedly reduces disease progression in a mouse colitis model . It is suggested that dual ITK and RLK inhibition may represent a novel therapeutic model for amelioration of Th1-mediated inflammatory diseases.
Mechanistically PRN694 inhibits kinase activity by binding irreversibly to cysteine residue 442 of ITK and 350 of RLK . A series of compounds including PRN694 is claimed in patent WO2014036016 . Example 29 is an enantiomer of PRN694 with one unspecified stereocenter." . "PZM21 is a potent, selective μ opioid receptor agonist with bias towards G-protein (Gi) activation over β-arrestin 2 recruitment . This provides a compound with reduced propensity to produce common opioid side effects whilst retaining analgesic activity. PZM21 is being used experimentally for its analgesic activity.
This compound is not in PubChem and its SMILES string does not retrieve any patent documents from SureChembl (late August 2016).
Compare this with , a chemically unrelated μ opioid receptor G-protein biased agonist." . "GSK1521498 is a μ opioid receptor antagonist in clinical development for disorders of compulsive consumption (e.g stimulant drug seeking, binge eating , or excessive alcohol consumption). It is >10-fold selective for human μ receptor compared to the κ and δ receptors in vitro . It may be used experimentally as the phosphate with IUPAC name N-{[3,5-difluoro-3′-(1H-1,2,4-triazol-3-yl)-4-biphenylyl]methyl}-2,3-dihydro-1H-inden-2-amine phosphate (1:1). The chemical structure of GSK1521498 is claimed in patent US8822518 , with prior chemical series claimed in WO2008021849 ." . "Abiraterone acetate is an ester prodrug of the steroidal drug abiraterone, which acts as an androgen synthesis inhibitor by inhibiting steroid 17alpha-monooxygenase." . "Compound 14n is an inhibitor of serum/glucocorticoid regulated kinases, with moderate selectivity for SGK1 and SGK2 over SGK3." . "Pharmacologically, siponimod (BAF312) is a selective sphingosine-1-phosphate (S1P) receptor agonist, with some selectivity for the S1P1 and S1P5 receptor isoforms . It is an orally active drug. Siponimod was developed by Novartis for secondary progressive multiple sclerosis (SPMS), originally as a back-up compound for . Compared to fingolimod it has more favourable pharmacokinetics.
Novartis announced positive results from their Phase 3 EXPAND study (BAF312 versus placebo) in SPMS (August 2016- link to announcement here).
The SIPR signalling pathway is important in autoimmune biology." . "Elezanumab (ABT-555) is a fully human monoclonal antibody targeting repulsive guidance molecule-a (RGMA), in development as a potential therapy for multiple sclerosis (MS).
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record. BLAST peptide anaylsis reveals identical matches with peptides claimed in patent WO2013112922 ." . "FGF-23 regulates phosphate homeostasis and calcium transport in the kidney . The full-length 327 amino acid protein is functional, and is deactivated by proteolytic cleavage which generates N-terminal and C-terminal chains. Mutation of the cleavage site causes autosomal dominant hypophosphatemic rickets (ADHR), and other gene alterations are associated with hyperphosphatemic familial tumoral calcinosis (HFTC). Antibody-driven inactivation of FGF-23 is being investigated as a pharmacological intervention in these indications. (KRN23) is one such FGF-23 neutralising antibody in clinical development.
A FGFR1 isoform [FGFR1(IIIc)] in complex with the Klotho protein (KL; Q9UEF7) forms a high affinity receptor for FGF-23 ." . "Burosumab (KRN23) is a fully human anti-FGF-23 monoclonal antibody. Anti-FGF-23 mAbs are considered suitable for prevention or treatment of diseases which are caused by hyperactivity of FGF-23 or for diseases whose pathology might be improved by controlling FGF-23 activity .
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record. BLAST peptide anaylsis reveals identical matches with peptides claimed in patent US7883705, with the claimed antibody being abbreviated to 'C10' in the document (full identifier N5KG1_C10_LH) ." . "Brazikumab (AMG 139, MEDI2070) is a fully human anti-IL23A monoclonal antibody in clinical development for autoimmune indications.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record. BLAST peptide anaylsis reveals identical matches with peptides claimed in patent WO2011056600 ." . "BU08028 is a novel research compound that provides the pain relief of opiates, without their addictive effects in mouse models of acute pain and cocaine-induced reward . Structurally it is a derivative of , with only the addition of an additional methylene group at the C20 substituent. Increasing affinity for the NOP receptor is predicted to reduce the behavioural side-effects associated with buprenorphine.
Note that the compound referred to as 1b in has a marginally different stereo compared to the same compound (named as BUB8028) in , with identical data provided for 1b and BUB8028 in both articles. Compound 1b resolves to PubChem CID 56664973. We have chosen to link to CID 50922685 as the specified stereochemistry of this is identical to that of buprenorphine." . "Emapalumab (NI-0501) is a fully human monoclonal antibody that targets interferon gamma (IFNγ).
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record. BLAST peptide anaylsis reveals identical matches with peptides claimed in patent WO2006109191, and in which NI-0501 is confirmed as an exemplary antibody ." . "Vunakizumab (SHR-1314) is an investigational, humanized monoclonal antibody targeting IL17A, with potential use in autoimmune diseases such as psoriasis, psoriatic arthritis, ankylosing spondylitis, multiple sclerosis and inflammatory arthritis.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record. A patent literature search identifies peptide sequences in WO2015070697, which are identical matches to the heavy and light chain variable regions of vunakizumab (SEQ ID NO 5 and 9 respectively) . These sequences belong to antibody coded Hu049." . "Lutikizumab (ABT-981) is an investigational monoclonal antibody targeting IL-1α and IL-1β , designed using proprietary technology to create dual variable domain antibodies ('DVD-IgTM') . DVD-Igs are single pharmaceutical agents capable of simultaneously targeting two mediators of disease. The unique feature of DVD-Igs is that each arm of the antibody contains two tandem variable domains, each capable of binding a different antigen (see Figure 2 in ).
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "Tolimidone is a potent and selective allosteric activator of Lyn kinase . It was developed for the treatment of type 2 diabetes." . "LHVS is a small molecule, vinyl sulfone type, tool compound, which inhibits cathepsins L and S with low nanomolar potency .
Cathepsin S inhibitors are being investigated for clinical utility in inflammatory conditions. LHVS is reported to have neuroprotective action in models of traumatic brain injury ." . "Fenebrutinib (RG7845, GDC-0853) is a Bruton's tyrosine kinase (BTK) inhibitor, under investigation for therapeutic potential in difficult-to-treat autoimmune diseases. The compound is claimed in patent WO2013067274 ." . "Compound 5a causes microtubule fragmentation via modulation of the hydrolase activity of katanin . The precise binding site has not been determined, but could reside within catalytic site of KATNA1 (p60 subunit) due to the purine scaffold of 5a. A docking model suggests that 5a may bind in a position which stabilizes the p60 structure and enhances the microtubule severing activity of katanin.
Katanin-modulating compounds could provide an alternative to vinca alkaloid and taxane microtubule targeting agents (MTAs), which suffer from issues of drug-induced resistance developing in clinical use." . "CHMFL-KIT-8140 is a type II KIT inhibitor capable of inhibiting the wild type kinase and theT670I gatekeeper mutant . KIT is a Tec family receptor tyrosine kinase." . "Lemborexant (E2006) is an orally active, potent dual orexin receptor antagonist (DORA) ." . "ACT-462206 is an orally active, potent, brain-penetrant dual orexin 1/orexin 2 receptor antagonist . ACT-462206 is being developed by Actelion Pharmaceuticals for clinical potential as a sleep disorder therapeutic." . "TCS 1102 is a dual orexin antagonist, with potent in vivo central activity in a pharmacodynamic model of orexin activity ." . "Compound 26 is a non-peptide, selective OX2 receptor agonist ." . "MK-1064 is a selective OX2 receptor antagonist . The acronym for selective OX2 receptor antagonists is 2-SORA (compared to DORA for dual OX1/OX2 antagonists)." . "MK-3697 is a selective OX2 receptor antagonist (2-SORA) . 2-SORA class compounds are being investigated for potential clinical utility as treatments for insomnia." . "Seltorexant (JNJ-42847922) is an investigational, selective OX2 receptor antagonist (2-SORA) . It is one of the compounds claimed in patent WO2011050198, where it is Example 107 . This compound is being developed jointly by Minerva Neurosciences and Janssen Pharmaceuticals for the treatment of major depression disorder and insomnia." . "Positive allosteric modulator of the human A3 adenosine receptor." . "Positive allosteric modulator of the human A3 adenosine receptor." . "Basimglurant (RO4917523) is a negative allosteric modulator (NAM) of the glutamate metabotropic receptor 5 (mGlu5) GPCR , and is a clinical candidate in development for the treatment of psychiatric diseases. Structurally, basimglurant and are analogues. CTEP has a notably longer half-life in rodents (49 hours) than basimglurant (~10 hours), so is better suited for rodent studies requiring chronic exposure/treatment." . "Lirilumab (BMS-986015) is a fully human monoclonal antibody (mAb) which targets the KIRD2 subgroup of killer cell immunoglobulin like receptors (KIRs) on natural killer cells , being developed as an immuno-oncology clinical candidate. Identified targets include KIR2DL1, KIR2DL2, KIR2DL3, KIR2DS1 and KIR2DS2. Genes of KIR proteins are listed in HGNC family Killer cell immunoglobulin like receptors (KIR). ia an IgG4 isotype antibody considered suitable for a blocking , non-depleting mAb with clinical utility.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "Urelumab (BMS-663513) a fully human lgG4 monoclonal antibody with agonist activity at the tumour necrosis factor (TNF) receptor, 4-1BB (TNFRSF9). It is being investigated for potential clinical immunostimulatory activity in the immuno-oncology setting .
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record. Peptide sequences for urelumab are identical matches for peptides claimed in patent WO2005035584, which leads to identification of clone 20H4-9-IgG4 ." . "Potent KCa2.1 activator" . "Selective KCa2.1 channel activator" . "Potent KCa2.1 activator" . "Potent KCa2.1 inhibitor" . "Selective positive modulator of KCa2/3 channels." . "Pan-negative-gating modulator of KCa2/3 channels." . "NS6180 is a KCa3.1 channel inhibitor. It prevents T-cell activation and inflammation in a rat model of inflammatory bowel disease." . "Amiselimod (MT-1303) is claimed in patent US20090137530 (Compound 1-3 is the hydrochloride used experimentally) as a potential immunomodulatory agent . It is a sphingosine-1-phosphate (SIP) receptor prodrug agonist, similar in action to the approved MS drug , but with improved receptor subtype selectivity .
Selective SIP1 receptor agonists are being investigated for immunomodulatory/immunosuppresant action in MS and other autoimmune conditions ." . "Ponesimod (ACT-128800) is an orally active sphingosine-1-phosphate (S1P) receptor modulator that was developed as a disease-modifying therapy (DMT) for multiple sclerosis (MS). The compound is reported as a partial S1P4 and S1P5 receptor agonist, with maximum activity 18% and 42% of that induced by the endogenous ligand S1P (at 10μM ACT-128800) .
The INN record for ponesimod stipulates the (2R) stereoisomer ((2Z,5Z)-5-{3-chloro-4-[(2R)-2,3-dihydroxypropoxy]phenylmethylidene}-3-(2-methylphenyl)-2-(propylimino)-1,3-thiazolidin-4-one).
Selective SIP1 receptor agonists are being developed and investigated for immunomodulatory/immunosuppressant potential in autoimmune diseases." . "H2 relaxin B-chain-only analogue, B7-33, which was shown to bind to RXFP1 and preferentially activate the pERK pathway over cAMP in cells that endogenously expressed RXFP1." . "Netarsudil (AR-11324) is a combination Rho-associated protein kinase (Rho or ROCK) and norepinephrine transporter (NET) inhibitor . Netarsudil is the S-enantiomeric, 2,4-dimethyl benzoate ester of compound 29 (Ki 0.2nM) described in . Esterification improves bioavailability and corneal penetrating ability of the compound. It is an ocular hypotensive medication." . "DMAT is a potent cell permeable inhibitor of casein kinase 2 (CK2) ." . "This is insulin-like peptide 5 (INSL5) analogue 7 with single-point substitution T9R . It is the minimal sequence required to retain INSL5 mimetic activity. Like , INSL5 is an orexigenic gut hormone that plays a physiological role in driving food intake. INSL5 acts via the relaxin family peptide receptor 4 (RXFP4). INSL5 mimetics are being investigated for their potential to provide clinical benefit in the treatment of anorexia." . "Velsecorat (AZD7594) is a novel non-steroidal modulator of inflammation . Functionally it is a selective glucocorticoid receptor modulator (SGRM) delivered by inhalation, that was being developed for asthma and COPD . Stereoisomers with 3S and 3R configuration at the bond with the tetrahydrofuran group are claimed in patent US8916600 (Examples 5 and 6 respectively) . AZD7594 is identified as the 1R,2S,3′R stereoisomer in ." . "Abediterol (AS100977) is an investigational long-acting beta(β)-agonist (LABA) , in development as a once-daily treatment for asthma and potentially COPD. Currently available LABAs approved for use by asthmatic patients include , and ." . "Verinurad (RDEA3170) is an investigational selective uric acid reabsorption inhibitor, functionally inhibiting the URAT1 (SLC22A12) transporter and being investigated for clinical efficacy in controlling uric acid levels in patients with gout. URAT1 is the renal transporter that regulates uric acid excretion from the body. Verinurad is structurally related to (RDEA594), a URAT1 inhibitor already approved for treating hyperuricemia in gout." . "Biased small molecule agonist at the apelin receptor. For in vivo studies the potassium salt of the compound was used ." . "Potent small molecule agonist of the C3a receptor." . "TAK-715 was developed as a p38 MAP kinase inhibitor, with anti-TNFα activity of potential clinical use as an anti-rheumatoid arthritis (RA) agent . TAK-715 is now available for repurposing via the MRC-Industry Asset Sharing Initiative 2016 (full compound list)." . "TAK-637 was developed as a tachykinin 1 (NK1) receptor antagonist, and identified as a clinical candidate for the treatment of bladder function disorders . TAK-637 is now available for repurposing via the MRC-Industry Asset Sharing Initiative 2016 (full compound list)." . "CPD840 is a potent, competitive, orally active, and selective inhibitor of all four PDE4 isoenzymes . It was developed primarily for potential anti-inflammatory effects in asthma and chronic obstructive pulmonary disease (COPD) . The compound is now available for repurposing via the MRC-Industry Asset Sharing Initiative 2016 (full compound list)." . "Etrasimod (APD334) is a centrally available, selective S1P1 receptor agonist . APD334 is being investigated for clinical efficacy as an immunosuppressant for the treatment of autoimmune diseases." . "AC-55541 is a potent and selective small-molecule PAR2 agonist . The compound is a metabolically stable pharmacological tool for studying PAR2 receptors." . "JQEZ5 is a potent and selective inhibitor of the histone methyltransferase EZH2 (enhancer of zeste 2 polycomb repressive complex 2 subunit) . A commonly identified somatic gain-of-function mutation in human EZH2 (Y646F), recapitulated in a mouse model (Y641F) induces tumourigenesis by massively redistributing repressive trimethylated Lys27 histone H3 marks, leading to altered repression and activation of polycomb-regulated loci.
JQEZ5 was developed at the Dana-Farber Cancer Institute and is openly available as a research probe." . "RWJ-56423 is an inhibitor of human mast cell tryptase (TPSAB1) . Such compounds have therapeutic potential for treating allergic or inflammatory disorders." . "Tigatuzumab (CS-1008) is an investigational, humanized agonistic monoclonal antibody directed against human death receptor 5 (TNFRSF10B; a TNF family catalytic receptor for TRAIL), which is expressed on the surface of many types of cancer cells. DR5 contains an intracellular death domain and interacts with FADD (Fas-associated protein with death domain) to mediate apoptisis.
Peptide sequences and structural information for this antibody are available from its IMGT/mAb-DB record. Peptide sequences matching the heavy and light chain variable regions of tigatuzumab are claimed in patent WO2001083560 , but this does not provide an affinity value for the antibody vs. DR5. The antibodies described in the patent were tetsed for their ability to induce apoptosis in cells expressing DR5." . "The natural product YM-254890 from Chromobacterium sp. QS3666 is a selective inhibitor of Gq signalling. The first total synthesis of this and analogues with SAR are reported . Note that PubChem substances with assay results are indexed in the Nature Chemistry article. An earlier PDB entry 3AH8 shows a bovine G-protein complex with YM-254890." . "VAP-1/SSAO (gene symbol AOC3) is an endothelial bound adhesion molecule with amine oxidase activity that is reported to be involved in neutrophil egress from the microvasculature during inflammation. The primary reference indicates the potential of inhibiting this enzyme using PXS-4728A, as a therapeutic approach in lung diseases that are characterized by a neutrophilic pattern of inflammation. A more recent paper reports PXS-4728A-mediated suppression of airway inflammation and fibrosis, as well as improved lung function in experimental COPD . Thirty nine analogues are exemplified in but without discrete activity values." . "FR900359 from the plant Ardisia crenata is a specific inhibitor of Gq and an analogue of . A recent report describes the total synthesis of FR900359 and analogues with SAR . Note that structures with assay results are indexed in the Nature Chemistry paper as PubChem substances." . "Inhibitor 3 showed potent BACE2 inhibitory activity, ~174,000-fold selectivity over BACE1 and ~15,000-fold selectivity over Cathepsin D . Note the PDB structure 5DQC is a co-crystalisation with comound 2 as PubChem CID 89836206 Inhibitor 3 is described in a patent as example 6412 . Activity data is included for ~30 analogues." . "AM6538 is a cannabinoid CB1 receptor antagonist, used to stabilise the receptor-ligand complex for crystalisation studies . AM6538 is a derivative of , a widely used analogue." . "MAdCAM-1 is an extracellular immunoglobulin-like peptide expressed on endothelial cells of intestinal lymphoid tissue , where it plays a role in role in gut immune surveillance. It is the ligand for homing receptors (e.g. α4β7 and α4β1 integrins, and L-selectin) on lymphocytes and it acts to direct leukocytes into mucosal and inflamed tissues. The α4β7/MAdCAM-1 interaction is gut-specific. MAdCAM-1 is being investigated as a drug target with potential for management of inflammatory bowel conditions.

The peptide details we provide are for the α isoform, which forms from the longest and predominant transcript. Soluble MAdCAM-1 can be detected in serum." . "Ontamalimab (PF-00547659) is a fully human, IgG2, investigational monoclonal antibody targeting (MADCAM1) . It is being evaluated for clinical potential in inflammatory bowel diseases. PF-00547659 was granted FDA orphan drug designation for ulcerative colitis in November 2017." . "GnRH peptide agonist" . "KYT-0353 (JPH203) is a potent and selective inhibitor of L-type amino acid transporter 1 (SLC7A5) , that is being investigated as an anti-cancer agent. Structurally it is a tyrosine analog." . "Compound 5 [PMID: 17618114] is an inhibitor of TEK receptor tyrosine kinase (a.k.a. TIE2) . Compound 5 was SAR optimised from lead . Small molecule Tie2 inhibitors are being developed for potential use as anti-angiogenic cancer therapeutics." . "Compound 41 [PMID: 25000588] is a selective and orally active inhibitor of protein kinase Cθ (PKCθ), identified using structure-based drug design . PKCθ is a drug target for autoimmune diseases including rheumatoid arthritis (RA), inflammatory bowel disease (IBD), and psoriasis. It was tested in preclinical studies." . "VER-246608 is a potent, selective and ATP-competitive, pan-isoform inhibitor of pyruvate dehydrogenase kinases (PDKs). Analysis of VER-246608 activity suggests that PDK inhibitors may be most effective within the nutrient-depleted tumour microenvironment, and may potentiate the activity of other chemotherapeutic agents." . "This nine amino acid peptide was designed as a selective inhibitor of myosin light chain kinase (MLCK) . It was tested in preclinical studies." . "CX-6258 is a non-selective but potent small molecule inhibitor of the PIM serine/threonine kinases ." . "Harmine is a plant-derived β-carboline alkaloid that has psychoactive activity. It has been reported as an inhibitor of dual specificity tyrosine phosphorylation regulated kinases of the Dyrk1 subfamily and monoamine oxidase A . Harmine has been tested in preclincal studies for antidepressant potential " . "SAR405 is a small molecule inhibitor selective for the lipid kinase, vacuolar protein sorting 34 (Vps34; PIK3C3), a kinase with roles in autophagy and vesicle trafficking . It was tested in preclinical studies." . "DDR-IN-1 is a potent and selective discoidin domain receptor tyrosine kinase 1 (DDR1) inhibitor . DDR1-IN-1 binds to DDR1 in the 'DFG-out' conformation and inhibits DDR1 autophosphorylation. It was a preclinical lead compound." . "GNE-3511 is an inhibitor of dual leucine zipper kinase (DLK; MAP3K12), investigated for therapeutic potential in neurodegenerative conditions . It is potent and most importantly, it can cross the blood-brain-barrier to access neuronal tissue. It was tested in preclinical studies." . "GSK429286A is a selective small molecule tool inhibitor of Rho kinase 1 (ROCK1) ." . "kb-NB142-70 is a protein kinase D tool compound inhibitor ." . "BI605906 is an inhibitor of IKKβ (IKBKB) . Inhibitors of the kinase activity of the IκB kinase (IKK) complex are in development as novel therapeutics for IKK mediated diseases including autoimmune, inflammatory and cardiovascular diseases, and cancer. A chemical series inluding this structure is claimed in patent US20070293533 . BI605906 was tested in preclinical studies." . "FMK is an irreversible inhibitor of ribosomal protein S6 kinases (RSKs) . It binds covalently to the regulatory C-terminal kinase domain of the enzyme, thereby inhibiting activation of the N-terminal kinase domain." . "CP466722 is a selective and reversible small molecule tool compound inhibitor of ATM serine/threonine kinase . ATM is a PI3K family kinase, implicated in the DNA damage response (DDR) pathway." . "KU-0063794 is a selective inhibitor of mammalian target of rapamycin (mTOR) . It inhibits both mTORC1 and mTORC2 with an IC50 of ~10 nM." . "WYE-354 is a pyrazolopyrimidine ATP-competitive mTOR inhibitor tool compound ." . "AZD7545 is a non-ATP competitive inhibitor of pyruvate dehydrogenase kinase 2 (PDHK2), designed for its glucose-lowering (anti-diabetes) activity ." . "BU72 was reported as a long-lasting μ receptor agonist . Its very high affinity meant that it was not considered as a clinical candidate. Strong lipophilic binding interactions with the μ receptor confer slow receptor kinetics, and therefore long duration of action.
We revised the chemical structure in March 2021, based on data arising from analysis of the crystal structure of the BU72/μ receptor complex that was deposited to the Protein Data Bank (5C1M) . This shows that the (β-phenyl) group of BU72 shoud be in the (R) configuration. BU72 has been used in a number of studies to model the μ receptor activation process ." . "Rimacalib (SMP-114) is an isoxazole derivative inhibitor of Ca2+/calmodulin-dependent protein kinase II (CaMKII) , CAMKII being an established pharmacological target for chronic inflammatory pain , as well as being involved in modulating synaptic plasticity and learning and memory processes." . "CHIR-124 is a potent cell permeable checkpoint kinase 1 (CHK1) inhibitor tool compound ." . "MELK-T1 is a small-molecule tool compound inhibitor of maternal embryonic leucine zipper kinase (MELK) , a serine/threonine protein kinase overexpressed in many cancer cells." . "LGB321 is a biochemically non-selective inhibitor of PIM serine/threonine kinases . In cells, LGB321 is antiproliferative on PIM2-dependent multiple myeloma cells." . "AC-98170 is a potent and selective small-molecule PAR2 agonist . The compound is a metabolically stable pharmacological tool for studying PAR2 receptors." . "BPKDi inhibits all three protein kinase D isozymes at low nanomolar concentrations . This tool compound has been used to show that PKD acts to phosphorylate class IIa histone deacetylases in cardiomyocytes during cardiac hypertrophy. Inhibition of this action by BPKDi suppresses cardiomyocyte hypertrophy." . "We show the parent molecule of PF-670462 here. It is described in the original literature report as the dihydrochloride salt (PubChem CID 51049607) . PF-670462 is a selective inhibitor of casein kinase I epsilon (CKIε)." . "TBBt is a small molecule ATP-competitive inhibitor of casein kinase 2 (CK2). It is used as a comparator to novel compounds in ." . "CX-5011 is a selective, small molecule, ATP-competitive (type I) inhibitor of casein kinase 2 (CK2), described in the same article as and ." . "CX-5279 is a selective, small molecule, ATP-competitive (type I) inhibitor of casein kinase 2 (CK2), described in the same article as and " . "VTX-11e is a small molecule inhibitor of ERK2 developed by Vertex Pharmaceuticals . VTX-11e is orally active with a favourable pharmacokinetic profile." . "IC-87114 is a selective inhibitor of PI3Kδ .
Given that PI3Kδ is preferentially expressed in cells of hemopoietic lineage and is involved in neutrophil chemotaxis we have tagged this ligand as having immunopharmacology relevance. Using this chemical tool in in vitro chemotaxis experiments reveals that PI3Kδ activity is required for the directional component of chemotaxis, but is not required for random movement ." . "JNK-9L is a selective and brain-penetrant c-jun-N-terminal kinase (JNK) inhibitor ." . "An inhibitor of the lipid kinase VPS34 (PIK3C3). VPS34-IN-1 is claimed as example 16a in patent US8685993 , which suggests that VPS34 inhibitors could be of use in treating hyperproliferative diseases characterized by hyperactivity of Vps34.

SARS-CoV-2: VPS34-IN-1 has been used in vitro to establish that VPS34 is required for SARS-CoV-2 replication ." . "PIK-III is a selective inhibitor of VPS34 (PIK3C3) . PIK-III is used as a tool compound to investigate the role of VPS34 in autophagy and cellular homeostasis.

SARS-CoV-2: PIK-III has been used in vitro to establish that VPS34 is required for SARS-CoV-2 replication ." . "BIX02189 is an experimental, small molecule inhibitor of mitogen-activated protein kinase kinase 5 (MEK5; MAP2K5) . It is more potent than , described in the same article. Also inhibits ERK5 (MAPK7)." . "PF-562271 is an experimental ATP-competitive focal adhesion kinase (FAK; official name protein tyrosine kinase 2) inhibitor, designed to investigate the anti-tumour effects of FAK inhibition . Note that this compound may be used as the besylate (PubChem CID 16118986) as detailed in ." . "YD-3 is a selective PAR4 antagonist ." . "NVP-TAE 226 is an experimental, non-selective, ATP-competitive inhibitor of FAK (focal adhesion kinase; official name protein tyrosine kinase 2) . NVP-TAE 226 is not a selective compound and inhibits many other kinases in in vitro assays. An extended kinase selectivity profile for NVP-TAE 226 is provided in ." . "OSI-930 is a multi-targeted kinase inhibitor, with potent inhibitory activity vs. Kit, KDR, CSF-1R, Flt1, c-Raf and Lck ." . "Selective C5a2 receptor agonist" . "Selective C5a2 receptor agonist" . "BMS-536924 is an experimental inhbitor of insulin-like growth factor-1 receptor kinase which inhibits insulin-like growth factor-I receptor dependent tumour growth in vivo . However, its utility is hampered by its potential to cause drug-drug interactions via inhibition of CYP3A4, and ability to increase CYP3A4 protein expression ." . "CEP-33779 is a selective, orally bioavailable inhibitor of Janus kinase 2 (JAK2) with anti-tumour activity . Selectivity for JAK2 over JAK3 is sought to minimise the risk of immune suppression associated with JAK3 inhibition." . "GSK143 a potent, selective and orally active spleen tyrosine kinase (SYK) inhibitor (compound 20 therein). It has favourable physicochemical properties including good aqueous solubility." . "Ceralasertib (AZD6738) is an orally available small molecule inhibitor of ATR serine/threonine kinase . AZD6738 induces cell death and senescence in cancer cells in vitro and enhances the therapeutic efficacy of in xenograft models. In vivo, combining AZD6738 with cisplatin destroys ATM-deficient lung cancer xenografts." . "Compound 36 is a selective and irreversible small molecule inhibitor of Bruton's tyrosine kinase (BTK) . The compound is being studied for potential to treat rheumatoid arthritis, having been assessed as effective in preclinical models of the disease." . "HG-10-102-01 is a brain-penetrant, selective small-molecule inhibitor of LRRK2 (leucine rich repeat kinase 2), activating mutations of which have been associated with Parkinson's disease . An alternative stereoisomer is presented in ." . "GNE-0877 (renamed DNL201; Denali Therapeutics) is a potent and selective, brain penetrant small molecule inhibitor of LRRK2 (leucine-rich repeat kinase 2) , a kinase whose aberrant activation is identified in a subset of patients with Parkinson's disease. LRRK2 ihnibitors are being developed as potential disease-modifying agents as therapeutics for Parkinson's disease." . "Ipragliflozin is a selective and orally available sodium/glucose cotransporter 2 (SGLT2; SLC5A2) inhibitor (a 'gliflozin' family drug ) used to treat type 2 diabetes. In practice ipragliflozin is complexed with L-proline in a 1:1 ratio." . "ML354 is a PAR4 receptor antagonist ." . "Tofogliflozin is a selective sodium/glucose cotransporter 2 (SGLT2; SLC5A2) inhibitor (a 'gliflozin' family drug ) developed as a treatment for type 2 diabetes. We show the anhydrous structure as represented in the INN record for tofogliflozin. In practice the drug is administered as the monohydrate (PubChem CID 46908928).
Tofogliflozin has favourable oral bioavailability and pharmacokinetic profile ." . "LRRK2-IN-1 is a selective inhibitor of the Parkinson's associated kinase LRRK2 (leucine rich repeat kinase 2) . The compound has limited brain penetrance. LRRK2-IN-1 is used as a pharmacological tool to interrogate the function of LRRK2 in Parkinson's disease." . "SNS-314 is an inhibitor of Aurora kinases A and B . CHEMBL482767 represents an alternative tautomer of the compound." . "PHA-408 is a selective, ATP-competitive inhibitor of Iκβ kinase β (IKKβ a.k.a. IKK-2; gene symbol IKBKB) , a drug target for asthma, chronic obstructive pulmonary disease (COPD) and arthritis." . "MPI-0479605 is a selective, ATP-competitive inhibitor of the mitotic kinase MPS1 (dual specificity protein kinase TTK; gene symbol TTK) ." . "AZ3146 is a selective inhibitor of the mitotic kinase MPS1 (dual specificity protein kinase TTK; gene symbol TTK) ." . "NMS-P715 is an orally bioavailable, selective inhibitor of the mitotic kinase MPS1 (dual specificity protein kinase TTK; gene symbol TTK) . Studies showing NMS-P715-induced antitumour activity in vivo support MSP1 as a valid oncology drug target." . "MLN0905 is an orally bioavailable inhibitor of Polo-like kinase 1 (PLK1) with in vivo antitumour activity . Despite apparent off-target binding in a kinase profile screen, none of these targets would be expected to produce the cellular and pharmacodynamic effects associated with MLN0905, and in fact the phenotype observed with MLN0905 inhibition is consistent with that observed with PLK1 knockdown by RNAi and other PLK1 inhibitors." . "Ro3280 is a potent and selective inhibitor of Polo-like kinase 1 (PLK1) with antitumour activity in vivo (xenografts) ." . "PP2 is a non-selective (pan) inhibitor of Src family tyrosine kinases, used widely to study the biological roles of Src kinases ." . "BS-181 is a selective inhibitor of cyclin dependent kinase 7 (CDK7) with antitumour activity in vivo (human xenografts in nude mice) . Generally used as the hydrochloride salt (PubChem CID 49867928)." . "MRS4162 is a BODIPY 630/650 conjugated P2Y6 receptor agonist that is useful as a molecular probe . Although it exhibits activity at the P2Y2 and P2Y4 receptors in intracellular signalling assays, it selectively labels P2Y6 receptors in cellular assays." . "XMD17-109 (ERK5-IN-1) is a potent and selective inhibitor of mitogen-activated protein kinase 7 (a.k.a. ERK5) , useful as a tool to investigate the ERK5 signalling pathway. It also inhibits bromodomains, with sufficient activity to explain all of the compound's reported biological effects." . "EMD638683 is a small molecule tool compound which somewhat selectively inhibits serum/glucocorticoid regulated kinase 1 (SGK1) . We present the structure of EMD638683 without specified stereochemistry, as shown in this primary literature source." . "Tomaralimab (OPN305) is a first-in-class humanised monoclonal antibody against Toll-like receptor 2 (TLR2) being developed by Opsona Therapeutics. It is being investigated for potential clinical use in certain hematological and immunological conditions. OPN305 and its possible uses are claimed in patent WO2011003925 . The effect of TLR2 antagonism on myocardial ischemia/reperfusion injury in a large animal model (pigs) is reported in ." . "Tarloxotinib (TH-4000) is a hypoxia-activated prodrug (HAP) being developed by Threshold Pharmaceuticals. Delivered as the bromide salt (PubChem CID 51038315) as described in its INN record. The compound undergoes activation selectively within the hypoxic tumour compartment to produce an irreversible pan-ErbB tyrosine-kinase inhibitor, represented by . The 4-nitroimidazole trigger on the tertiary amine side chain facilitates activation. This is one of the first molecularly targeted HAPs to be developed." . "MRS4174 is a very high affinity, fluorescent probe antagonist of the P2Y14 receptor . The flurophore is Alexa Fluor 488 (green fluorescence)." . "TH-4000E is the active compound generated from the prodrug (TH-4000)." . "Bimekizumab (UCB4940) is a rat-derived humanized monoclonal antibody that simultaneously targets IL-17A and IL-7F (dual antagonist), with potential for controlling autoimmune conditions mediated by these proinflammatory cytokines. Safety, pharmacokinetics and clinical efficacy of bimekizumab in mild psoriasis were reported in . Claimed in patent WO2008047134 as CA028_0496 ." . "Brensocatib (formerly AZD7986) is reported as a second generation, oral, selective and reversible inhibitor of dipeptidyl peptidase 1 (DPP1; a.k.a. cathepsin C) . Cathepsin C is required for the activation of proinflammatory neutrophil serine proteases, making this enzyme a drug target whose pharmacological inhibition has potential in the treatment of diseases such as chronic obstructive pulmonary disease (COPD) which is driven in part by excessive neutrophil activation and dysregulated neutrophil elastase activity. The compound was originally developed by AstraZeneca, but is now being progressed by Insmed." . "VLX1570 is a competitive, reversible inhibitor of 19S proteasome-specific deubiquitylating enzymes, including ubiquitin-specific protease-14 (USP14) and ubiquitin-C-terminal hydrolase-5 (UCHL5) ; being investigated for antineoplastic/antiproliferative efficacy." . "Nusinersen (ISIS 396443) is an antisense oligo(ribo)nucleotide (ASO) which induces survival motor neuron (SMN) protein expression from SMN2 genes with the exon 7-skipping mutation .
Nusinersen was initially available for use as a designated orphan drug (by the US FDA and EMA), and was the first drug to be fully approved for the treatment of spinal muscular atrophy (SMA).

The sequence contains 2'-O-(2-methoxyethyl) (2'-MOE)-oligoribonucleotides to reduce nuclease degradation and enhance binding affinity towards the complementary RNA. The full sequence is [2'-O-(2-methoxyethyl)](3'-5')(P-thio)(mU-mC-A-mC-mU-mU-mU-mC-A-mU-A-A-mU-G-mC-mU-G-G) as detailed in the INN record for the agent. A full structural rendering using SMILES from Chemspider is available here (CSID:34983394). The sequence for nusinersen is claimed in patent WO2010148249A1 as SEQ ID NO: 1 ." . "We have interpreted the image from as the Z form. Note there is also the E form as PubChem CID: 5759185 and a unresolved entry as PubChem CID: 2817394. Note this is an old compound (2005) from the Molecular Libraries screening collection and has many bioassay results (see ChEMBL entries) that were not assessed by the authors, so circumspection concerning pharmacological specificity is warranted." . "Esflurbiprofen is a topically applied, non-steroidal anti inflammatory drug (NSAID). It is the more active enantiomer of racemic ." . "Itolizumab is a first in class humanized IgG1 monoclonal antibody targeting T cell CD6. It is being developed by Biocon Limited for its anti-inflammatory potential in autoimmune conditions." . "DAPK inhibitor 13 is a pan DAPK inhibitor ." . "Leniolisib is an orally active, potent phosphatidylinositol 3-kinase inhibitor (PI3K) inhibitor, with selectivity for the PI3Kδ isoform . Novartis originally developed CDZ173 as a treatment for autoimmune diseases, but has rapidly repurposed it for its potential in patients with Activated PI3K Delta Syndrome (APDS, a.k.a. p110 delta activating mutation causing senescent T cells, lymphadenopathy and immunodeficiency, or PASLI). APDS is a rare genetic immunodeficiency disease characterised by lymphoproliferation, recurrent infections from childhood, and an increased risk of EBV-associated lymphoma. APDS is known to be caused by autosomal dominant, gain-of-function mutations in the PIK3CD gene which encodes the PI3Kδ protein ." . "Nemiralisib (GSK2269557) is a PI3K inhibitor with selectivity for PI3Kδ over the other related isoforms . The compound is active via inhalation and is being evaluated for its potential in respiratory inflammation. May be administered or used experimentally as the hydrochloride salt (PubChem CID 49784084). In the original study by Down et al. (2015) compound 3 () was developed as a follow-up compound with reduced hERG activity and minimised systemic exposure ." . "Citarinostat (ACY-241) is a next-generation HDAC6 inhibitor, that is under investigation for potential antineoplastic activity . Note that it exhibits only ~10-fold enzymic selectivity against the class I isoform, HDAC1." . "Empesertib (BAY1161909) is an orally bioavailable, selective inhibitor of the monopolar spindle 1 (Mps1; gene symbol TTK) serine/threonine kinase ." . "MRS4183 is a nanomolar affinity, fluorescent probe agonist of the P2Y14 receptor . The fluorophore is BODIPY (boron-dipyrromethene). A SMILES string was generated from the MOL file rendering of the structure provided with the article, as additional information ." . "Fruquintinib (HMPL-013) is a potent and selective inhibitor of VEGFR 1, 2, 3 tyrosine kinases, being developed for potential antineoplastic efficacy ; preclinical data is reported in this reference." . "Miransertib (ARQ-092) is an orally active, selective, and potent allosteric AKT inhibitor , being developed for antineoplastic potential." . "BMS-681 is an orthosteric antagonist of CC chemokine receptors 2 and 5 (CCR2 and CCR5) ." . "CCR2-RA-[R] is an allosteric antagonist of the CC chemokine receptor 2 (CCR2) . Allosteric modulation by CCR2-RA-[R] prevents formation of the G-protein-binding interface and hence G-protein coupling by blocking the required activation-associated changes in receptor conformation . The chemical structure presented here is that held with the PDB X-ray structure reported in .
CCR2-RA-[R] is claimed as chiral example 125 in patent US6936633 ." . "PF-06263276 is a pan-JAK inhibitor . There are two E/Z isomers as PubChem CID 122196621 and PubChem CID 71495793 but these are not resolved in the publication." . "Vadastuximab talirine (SGN-CD33A; Seattle Genetics) is an humanized anti-CD33 antibody-drug conjugate (ADC) which delivers a toxic payload to CD33 +ve cells . Talirine is a pyrrolobenzodiazepine (PBD) dimer (PubChem CID 45257190), which is a DNA crosslinking agent, causing DNA damage and ultimately apoptosis of targeted cells. Talirine is conjugated to engineered Cys residues in the antibody via a cathepsine B cleavable linker.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "Monoiodination of the Tyr6 residue in U-II-(4-11) peptide ." . "A biotinylated photoactivable peptide probe" . "A linear peptidic Urotensin-II receptor agonist which shows low nanomolar potency as well as improved metabolic stability ." . "Low molecular weight, stable, potent, and long-lasting QRFP receptor Aza-β3-pseudopeptide agonist ." . "For the original publication reporting the design and development of the series of pyrrolo[2,3-c]pyridines as QRFP receptor small molecule antagonists, including compound 25e, see ." . "Intepirdine (RVT-101) is a 5-HT6 receptor antagonist (called SB-742457 in this article). Developed by Axovant Science Ltd.
Phase 3 clinical trial results for RVT-101 are eagerly awaited given the reported failures of competitors' 5-HT6 receptor antagonists in Alzheimer's disease trials (e.g. Lundbeck's , and Pfizer's PF-05212377)." . "Allosteric potentiator at the adenosine A1 receptor." . "Avacopan is a small molecule, competitive and orally bioactive antagonist of human C5a1 receptor . It was originally proposed as an alternative to steroid (glucocorticoid) therapy for ANCA-associated vasculitis . The evidence confirming C5, C5a and the C5a receptor as anti-inflammatory and anti-cancer drug targets was reviewed by Horiuchi and Tsukamoto (2016) ." . "Selective C5a receptor noncompetitive allosteric inhibitor." . "PKCθ inhibitor 14 was developed using structure-based drug design . The compound is described as being selective for PKCθ, over other kinases, including related PKC isoforms." . "Compound 12 [PMID: 27448772] is a potent and selective inhibitor of TAK1 (MAP3K7), developed in a structure based drug design programme , but the compound suffers from low permeability." . "PQA-18 is a novel, non-competitive PAK2 inhibitor with potent immunosuppresive activity . It is a derivative of the natural metabolite Ppc-1 (PubChem CID 46910769) extracted from Polysphondylium pseudo-candidum." . "AY77 is a potent small molecule, peptidic PAR2 agonist . The compound is stable in rat plasma making it suitable for physiological studies." . "AC264613 is a potent and selective, small molecule agonist of the PAR2 receptor . It is a suitable pharmacological tool for examining the functions of PAR2 receptors." . "L-732,138 is a competitive and selective NK1 receptor antagonist ." . "LY2940094 is a potent and selective nociceptin receptor antagonist , with potential clinical utility as a treatment for neurobehavioral disorders ." . "Navamepent (RX-10045) is a stable analogue, that is being investigated for clinical efficacy in occular inflammation . Chemically this is an isopropyl ester prodrug of resolvin E1 (an agonist of the chemerin receptor). The chemical structure is claimed in patent US20140275247A1 (as Example 1001) . Findings from animal studies are reported in and ." . "A radiolabelled version of . Its useful working concentration is in the subnanomolar - low nanomolar range ." . "A tritiated version of the orexin antagonist ; weakly OX2-selective. Position of tritium ions taken from ." . "[3H]Cp-1 is a radiolabelled analogue. Structure provided in . It is a weakly OX2-selective antagonist." . "A radiolabelled version of the OX2 receptor-selective antagonist ." . "PSB-416 (compound 8) is an anthraquinone derivative showing antagonistic effects at the P2Y2 receptor ." . "Potent, selective small-molecule glucagon receptor antagonist that lowers glucose" . "RgIA4 is an derivative, designed for potential pain therapy. Functionally it is a potent and selective α9α10 nicotinic acetylcholine receptor (nAChR) antagonist ." . "Calcium sensing receptor negative allosteric modulator" . "Calcium sensing receptor negative allosteric modulator" . "ATF936 is an orally bioavailable, negative allosteric modulator (NAM) of the calcium sensing receptor (CaSR) that was developed by Novartis . It acts to promote a rapid and transient release of parathyroid hormone which stimulates a calcilytic effect in vivo . CaSR antagonists/NAMs are being investigated as bone-forming osteoporosis therapeutics." . "Calcium sensing receptor negative allosteric modulator" . "Deflazacort is a derivative glucocorticoid that is used as an anti-inflammatory and immunosuppressant. It is a prodrug that is metabolised to the active form, 21-desacetyl deflazacort (PubChem CID 97547130) ." . "This Astellas Pharma compound 8ic is a potent competitive CCR4 antagonist. Oral administration showed anti-inflammatory activity in a murine model of acute dermatitis (n.b. caution, there is no specificity data in this paper). There are some data links for the dichloride (PubChem CID 56972238)." . "KML29 is a highly selective and potent monoacylglycerol lipase (MAGL) inhibitor. MAGL is the primary catabolic enzyme of the endogenous endocannabinoid 2-arachidonoylglycerol (2-AG). Selective MAGL inhibitors can be used as probes to investigate the consequences of elevating circulating levels of 2-AG levels in vivo." . "GlcC14C18 is one of the most potent vaccine adjuvants identified in ." . "YM-244769 is a novel potent Na+/Ca2+ exchange (NCX) inhibitor, with selectivity for NCX3 (SLC8A3) over the other SLC8 family exchangers ." . "A side chain modified dipeptide inhibitor of PepT1 (Peptide transporter 1 / SLC15A1) ." . "Arecaidine is an alkaloid found in betel nuts (Areca catechu)." . "An analog of the amino acid D-alanine and a component of the racemic drug with the INN cycloserine (see also )." . "An analogue of the amino acid D-alanine and a component of the racemic drug with the INN cycloserine (D/)." . "Telotristat ethyl is an oral tryptophan hydroxylase inhibitor. Telotristat ethyl is the USAN, the INN is telotristat (represented in PubChem CID 25025298." . "SPM-354 is a novel bitopic sphingosine 1-phosphate 3 receptor (SIP3R) antagonist . SPM-354 competes for binding in both the orthosteric and allosteric sites, as defined by the natural ligand and the selective allosteric S1P3 positive allosteric modulator , respectively. SPM-354 is reference example 47 in WO2011004604." . "CYM-5541 is a selective sphingosine-1-phosphate 3 receptor (S1P3R) positive allosteric modulator ." . "Compound 5c [PMID: 27894870] is a sphingosine-1-phosphate 4 receptor agonist with favourable selectivity for S1P4R over the other S1P receptors ." . "A-971432 is an orally bioavailable selective sphingosine-1-phosphate receptor 5 (S1P5R) agonist, notably with no S1P1R activity. It is compound 29 in and is claimed in patent WO2010093704 . A-971432 is suitable for differentiating S1P1 vs. S1P5 biology in vivo. The compound is being investigated for treatment efficacy in neurodegenerative disorders." . "BMS-817399 is a selective and orally bioavailable CCR1 receptor antagonist ." . "BMS-986020 is an investigational lysophosphatidic acid 1 (LPA1) receptor antagonist . It is claimed as Compound 1-1 in patent WO2010141768 , and this document contains extensive in vitro characterisation data and records in vivo anti-fibrotic efficacy in various animal models of fibrosis." . "ONO-7300243 is a selective lysophosphatidic acid receptor 1 (LPA1) antagonist with favourable in vivo efficacy (reducing intraurethral pressure) in rat models of benign prostatic hyperplasia, which in contrast to the α1-adrenoceptor antagonist used clinically in this condition, has no effect on blood pressure ." . "TCLPA5 is a selective, non-lipid lysophosphatidic acid 5 (LPA5) receptor selective antagonist ." . "A fluorescent dipeptide." . "A histidine based dipeptide prodrug of lopinavir (PubChem CID 92727). Lopinavir is an HIV protease inhibitor used in a fixed-dose combination with . It is also an inhibitor of cytochrome P450 CYP3A." . "Alafosfalin is a phosphonodipeptide with antibacterial and antifungal properties." . "An analog of ." . "Rhodamine labelled (MDP)." . "Tri-DAP comprises the (γ-D-Glu-mDAP) dipeptide and a L-Ala residue. It is an agonist of the NOD1 pattern recognition receptor." . "C12-iE-DAP is an acylated derivative of the dipeptide . It is present in the peptidoglycan (PGN) of Gram-negative bacilli and select Gram-positive bacteria. It is a NOD1 ligand." . "SB-3CT is a dual MMP2/MMP9 inhibitor ." . "Gilead Sciences designed andecaliximab (GS-5745), a humanized anti-MMP9 monoclonal antibody, for potential to treat solid tumours and inflammatory disorders . GS-5745 inhibits MMP-9 activity by a combination of blocking proenzyme (zymogen) conversion to active enzyme, and allosterically inhibiting active MMP-9 catalytic activity ." . "ACT-389949 is a novel potent and selective FPR2/ALX agonist . Results from Phase 1 trials in healthy subjects show that ACT-389949 is well tolerated, but drug potential is hampered by several factors: it causes rapid receptor desensitisation; it elicits only a transient response; biomarker analysis suggests that the response is pro-inflammatory rather than anti-inflammatory ." . "Solabegron (GW427353) is a highly potent and selective β3-adrenoceptor agonist . β3 agonists (e.g. and solabegron) failed to show efficacy for their original clinical indication, obesity/type 2 diabetes, but have been repurposed/repositioned for the treatment of the overactive bladder syndrome ." . "This small molecule acts as an inhibitor of the activity of mixed lineage kinase domain like pseudokinase MLKL. The compound binds the nucleotide binding site within the MLKL pseudokinase domain and reduces MLKL translocation to the cell membrane, which has the effect of preventing MLKL-driven necroptosis (necroptosis being a form of regulated inflammatory cell death ) . This effect is driven by blocking the conformational change in the N-terminal four-helix bundle (4HB) domain of the protein caused by nucleotide binding that is required for membrane translocation and killing activity. This compound was originally identified as a nanomolar potency inhibitor of VEGFR2 tyrosine kinase , but note that inhibition of VEGFR2 by another VEGFR2 inhibitor () does not prevent necroptosis, suggesting a direct role for MLKL in this form of cell death, and also demonstrates that targeting the nucleotide binding site of pseudokinases is a novel strategy for modulating signal transduction. In summary, MLKL compound 1 provides a useful tool for investigating necroptosis." . "A selective SIRT1 activator for use as a biological tool ." . "SRT2104 (GSK2245840) is an investigational, selective and orally available SIRT1 activator ." . "CHMFL-BTK-11 exerts its inhibitory efficacy through a covalent bond with BTK Cys481. Should be a pharmacological tool for BTK mediated signaling in rheumatoid arthritis ." . "Atacicept is a recombinant fusion protein that was designed to inhibit B cells, and which was investigated as an intervention in autoimmune diseases . Mechanistically atacicept neutralises the function of two important B-cell activating factors, BAFF (BLyS) and APRIL. Structurally atacicept contains the BLyS/APRIL-binding extracellular portion of the TACI receptor fused to a modified Fc from human IgG1 . One of the important functions of these two factors in autoimmune disease is their ability to induce proliferation of plasma cells and thus increase Ig production, in particular the production of destructive anti-self antibodies. However, this modality has proven ineffective in autoimmune diseases in clinical studies. As of June 2021 atacicept was being deployed for IgA nephropathy.
Peptide sequences and structural information for this peptide are available from its IMGT/mAb-DB entry. The peptide sequence for atacicept is claimed in patent WO2002094852 ." . "Blisibimod is a peptibody fusion containing four BAFF binding domains fused to a human Fc domain. By sequestering circulating BAFF ligand, it acts as a functional antagonist of BAFF interaction with the TACI receptor on B cells.
Peptide sequences and structural information for this peptide are available from its IMGT/mAb-DB entry. The peptide sequence for blisibimod is claimed in Amgen's patent WO2002092620 ." . "NMP is a common solvent and drug vehicle. More recently it has been identified as a candidate bromodomain ligand with antineoplastic and immunomodulatory activity . Mechanistically it appears to be a low-affinity, broad-spectrum acetyllysine mimetic, but with apparent comparable ligand efficiency to that of larger rationally developed compounds such as because of its very low molecular weight." . "MI-503 inhibits the interaction between MLL oncoproteins (re-arranged lysine methyltransferase 2A; KMT2A; a.k.a. MLL1) and the tumour suppressor protein menin (MEN1, O00255), by binding directly to MLL binding site on menin . MI-503 is active in vivo, exhibiting selective antiproliferative effects on cells harbouring MLL rearrangements. It represents a highly optimised molecular scaffold for clinical lead identification in the development of drugs for the treatment of aggressive MLL-rearranged leukemias." . "GSK8814 is a chemical probe for the ATAD2/2B bromodomain and is available via the Stuctural Genomics Consortium's chemical probe dissemination program. Click here to link to the SGC's full list of epigenetics probes." . "TP-472 is a potent BRD9/7 inhibitor tool compound that is cell permeable and active in vivo. TP-472 is one of the chemical tools in the Structural Genomics Consortium's Epigenetic Probes Library." . "OF-1 is a small molecule inhibitor of the bromodomain proteins BRPF1/2/3 and is one of the chemical tools in the Structural Genomics Consortium's Epigenetic Probes Library. BRPF1/2/3 provide the scaffold for the formation of MYST complexes which play essential functions in DNA repair, recombination, replication and activation of transcription." . "BAY-299 is a potent and selective inhibitor of BRPF2 (a.k.a. BRD1) and the second bromodomain of TAF1. It is >30-fold selective for BRPF2 over BRPF1 and -3. It is one of the chemical tools in the Structural Genomics Consortium's Epigenetic Probes Library and was developed in collaboration with Bayer." . "A-395 potently binds the embryonic ectoderm development protein (EED) , a protein with a scaffolding function and an H3K27me3-binding function. A-395 inhibits this latter function by binding in the H3K27me3-binding pocket of EED. This action prevents allosteric activation of the catalytic activity of the EED-containing polycomb repressive complex 2 (PRC2). A-395 is one of the chemical tools in the Structural Genomics Consortium's Epigenetic Probes Library. and was developed in collaboration with Abbvie." . "LLY-283 is a potent and selective SAM-competitive chemical probe for PRMT5 (protein arginine methyltransferase 5) developed in a collaboration between Eli Lilly and the Structural Genomics Consortium . It is one of the chemical tools in the SGC's Epigenetic Probes Collection." . "TP-064 is a potent, selective and cell active chemical probe for PRMT4 (officially known as coactivator associated arginine methyltransferase 1; CARM1) . It is one of the chemical tools in the Structural Genomics Consortium's Epigenetic Probes Collection and was developed in collaboration with Takeda." . "MS049 is a potent and selective dual inhibitor of PRMT4 and PRMT6 , developed in a collaboration between the Structural Genomics Consortium and the Icahn School of Medicine at Mount Sinai. It is active in cellular assays. It is one of the chemical tools in the SGC's Epigenetic Probes Collection." . "Selective covalent A1 receptor antagonist." . "Carbon monoxide is naturally produced by the action of heme oxygenase 1 and 2, which convert into and carbon monoxide, utilizing as cofactor. Carbon monoxide has received a great deal of clinical attention as a biological regulator. Clinical trials of small amounts of carbon monoxide as a drug are ongoing. CO-releasing molecules (CORMs) are in development for their potential antioxidant, anti-inflammatory, and anti-tumor properties ." . "H2S is derived from by the enzymes cystathionine β-synthase, cystathionine γ-lyase, and 3-mercaptopyruvate sulfurtransferase. Like , hydrogen sulfide is involved in the relaxation of smooth muscle that causes erection of the penis, presenting possible new therapy opportunities for erectile dysfunction.
Novel H2S-releasing drugs are being developed for anti-inflammatory activity and these are receiving additional attention for chemoprevention of cancers ." . "Sodium nitroprusside (SNP), sold under the brand name Nitropress among others, is a medication used to lower blood pressure." . "Otenaproxesul (ATB-346) is a novel, orally administered, gastrointestinal-sparing hydrogen sulfide (H2S)-releasing analgesic and anti-inflammatory drug in clinical trials for osteoarthritis . Structurally it comprises an H2S-releasing moiety covalently linked to a NSAID (). H2S-releasing NSAIDs are in development for their potential analgesic, anti-inflammatory, cytoprotective and chemopreventative properties ." . "CORM-2 is a ruthenium-containing carbon monoxide (CO)-releasing pro-drug. CORM is an acronym for CO-releasing molecule. The therapeutic potential (antioxidant, anti-inflammatory, and anti-tumor properties) of such drugs is reviewed in ." . "Relatlimab (BMS-986016) is an anti-LAG3 monoclonal antibody that was developed for utility in cancer immunotherapy." . "Atracurium (besylate) is a intermediate-duration non-depolarizing neuromuscular blocking agent, delivered by bolus injection in to a vein. It is a complex molecule with potential to exist as multiple stereoisomers.The INN for this drug stipulates the besylate salt, represented in PubChem CID 47320. We show the structure for the parent molecule, with no specified stereochemistry." . "AF-906 is a potent and selective dual P2X3/P2X2/3 diaminopyrimidine antagonist ." . "Gefapixant (MK‐7264, and formerly AF-219) is a P2X3 and P2X2/3 receptor antagonist. Experimental results have shown that gefapixant acts as a reversible allosteric antagonist, that exhibits preferential activity at closed channels.
Studies in rodent models have provided evidence that supports investigation of gefapixant as a novel treatment for chronic sensitisation conditions ." . "5-BDBD is a potent P2X4 receptor antagonist ." . "PSB-12062 is a P2X4 receptor antagonist with an allosteric mode of action ." . "BX-430 is a selective allosteric modulator of the human P2X4 receptor ." . "GSK2656157 is an optimised, ATP-competitive inhibitor of protein kinase R (PKR)-like endoplasmic reticulum kinase (PERK), designed using the structural scaffold of . Preclinical evaluation is reported in ." . "NF770 is a P2X2 receptor antagonist . Note that we show the salt (Na) stripped structure, but strictly NF770 is the tetra sodium salt shown in PubChem CID 53310473. This structure matches example 8b in patent US20130338178 claiming derivatives as sirtuin modulators." . "NF778 is a P2X2 receptor antagonist . Note that we show the salt (Na) stripped structure, but strictly NF778 is the sodium salt." . "A novel selective sodium glucose co-transporter 1 (SGLT1) inhibitor, exhibits potential in the amelioration of chronic constipation." . "GNF362 is a non-selective inhibitor of all three IP3 kinases and is one of the structures claimed in patent US20090306039 ." . "Prexasertib (LY2606368), an investigational small molecule checkpoint kinase 1 (CHK1) inhibitor that exhibits anti-tumour activity in preclinical models of pediatric cancer." . "Compound 1e [PMID: 27285276] is a cathepsin H inhibitor ." . "Naproxcinod is a NO-donating analogue prodrug. It is the first in a new class of anti-inflammatory and analgesic drugs known as cyclooxygenase-inhibiting nitric oxide donors (CINODs) , that are designed to lessen the gastrointestinal (and cardiovascular) side-effects of traditional NSAIDs. The NO released by the prodrug mediates this beneficial effect." . "Nitrosoprodenafil is a novel nitrosated analogue of the PDE5 inhibitor , that acts as a prodrug releasing aildenafil (methisosildenafil; PubChem CID 16721107) and . NO-induced effects on vasodilation are synergistic with inhibition of PDE5 action. This type of compound has been avoided by conventional pharmaceutical companies because of the serious risk of causing a life-threatening drop in blood pressure, and because of the hepatotoxicity of nitrosamines." . "Hm1a selectively targets Nav1.1 in sensory neurons" . "Belumosudil (KD025) is an oral and selective inhbitor of Rho associated coiled-coil containing protein kinase 2 (ROCK2) , with clinical anti-inflammatory/immunomodulatory activity." . "GSK2982772 is a first-in-class clinical candidate RIPK1 inhibitor, with anti-inflammatory potential . X-ray structure of co-crystals shows GSK2982772 in a Type III-like kinase inhibitor position." . "Example 36 is one of a number of leukotriene C4 synthase (LTC4S) inhibitors claimed in AstraZeneca patent WO2016177845 , particularly for the treatment of respiratory diseases and inflammation. In support of this enzyme as a drug target, a paper by Kleinschmidt et al. (2015) demonstrates that LTC4S inhibitors block leukotriene C4 and cys-LT synthesis in vitro and in vivo, but note that their inhibitors are of quite different structure compared to example 36." . "TK05 is the most potent of three selective leukotriene C4 synthase (LTC4S) inhibitors reported in , and is one of the compounds calimed in patent WO2011110824 . LTC4S inhibitors have clinical potential for treating respiratory and/or inflammatory diseases, given LTC4S' pivotal role in the production of pro-inflammatory and bronchoconstricting cysteinyl leukotrienes ." . "This entity is in the GtoPHARMACOLOGYdb and GtoImmuPdb as both a ligand (of the Fcε receptors) and as a target (target of anti-IgE monoclonal antibodies- see IGHE)." . "Negative allosteric modulator of the GLP-1 receptor." . "TC114 is a probe that significantly stabilizes and locks the SMO into a single conformation." . "Ritlecitinib (PF-06651600) is a potent, orally active, selective covalent inhibitor of Janus kinase 3 (JAK3) , with anti-inflammatory activity in in vivo models . It is example 5 in a Pfizer patent that provides SAR for 343 analogues . There are three crystal structures available for compounds reported in with JAK3, but not for compound 11 (the PDB identifiers are 5TTV, 5TTU and 5TTS). Pfizer's pipeline webpage indicates that the ritlecitinib program has been discontinued." . "AZ3451 is a negative allosteric modulator of protease-activated receptor 2 (PAR2) that prevents receptor activation and signalling . Substantial evidence indicates that PARs are involved in inflammatory disease, with roles in causing inflammatory reactions in peripheral limb tissue, and modulating arthritic joint inflammation and pain." . "Ziritaxestat (GLPG1690) is a selective autotaxin Inhibitor , that was investigated for anti-fibrotic efficacy. Animal studies using GLPG1690 suggested potential for autotaxin inhibition in breast cancer treatment and TSC2-loss associated oncogenicity (in tuberous sclerosis complex) . In early 2021 data from the phase 3 ziritaxestat program in idiopathic pulmonary fibrosis (IPF; ISABELA) was analysed, and the conclusion reached was that ziritaxestat's benefit-risk profile did not support continuing the program. At that time the decision was made to discontinue the inhibitor's phase 2 trial in systemic sclerosis." . "PFK15 is a small molecule inhibitor of the metabolic sugar phosphatase PFKFB3 initially investigated for anti-cancer effects , and more recently predicted to be of clinical benefit in the management of joint destruction in rheumatoid arthritis ." . "Eganelisib (IPI549) is an orally bioavailable, highly selective small molecule PI3Kγ inhibitor ." . "3AC is an inhibitor of inositol polyphosphate-5-phosphatase D (INPP5D) , an enzyme with a role in controlling immune regulatory cell numbers in vivo. INPP5D is more commonly referred to as SHIP1. SHIP1 inhibitors are being investigated as novel agents with potential clinical application in allogeneic transplantation and the treatment of hematologic malignancies." . "PF-06840003 is a small molecule IDO1 inhibitor, designed as a cancer immunotherapeutic. It is claimed as compound 1 in patent WO2015173764 ." . "(R)-ZINC-3573 is a selective probe for the orphan GPCR, MAS-related G protein-coupled receptor member X2 (MRGPRX2) . The (S)-enantiomer is inactive at this receptor." . "TAN-67 is a potent and selective δ-opioid receptor agonist . It is also an agonist of the orphan GPCR MRGPRX2 ." . "QWF was originally identified as a tripeptide derivative of the -derived octapeptide and NK1 receptor selective antagonist D-Pro-Gln-Gln-D-TrpPhe-D-Trp-D-Trp-Phe-NH2 . It has more recently been reported to antagonise MRGPRX2 , and is claimed in patent WO2016118632 which covers the use of QWF derivatives as MRGPRX2 antagonists for the prevention and treatment of itch ." . "ASP4058 is an orally active, next-generation sphingosine 1-phosphate (S1P) receptor agonist that shows selectivity for S1P1 and S1P5 over other S1P receptors in vitro . Most likely used as the hydrochloride salt (PubChem CID 16755142). Compare this with the non-selective S1P agonist , which was the first oral drug to be approved for relapsing forms of MS.
Studies in animal models suggests that ASP4058 may also be beneficial in ameliorating the chronic arterial wall inflammation observed as underlying intracranial aneurysm (IA) ." . "C391 is a protease activated receptor 2 (PAR2) antagonist . It is a small peptidomimetic derivative of the PAR2 agonist . PAR2 antagonists have potential for treating inflammatory, respiratory, gastrointestinal, neurological, and metabolic disorders." . "eCF309 is a low nanomolar potency, selective and cell-permeable mTOR inhibitor ." . "Bis1 is a thiazole analogue of the marine cyanobacterium‐derived linear amide, bisebromoamide (BBA; PubChem CID 44520348) . BBA is a nonribosomal peptide that is synthesised in cyanobacteria in a process involving nonribosomal peptide synthetase (NRPS) enzyme complexes.

The IUPAC condensed name for this peptide is pivaloyl-Ala-N(Me)D-Tyr(3-Br)-Unk-D-Leu-N(Me)Phe-Pro-Et." . "Adropin is a peptide hormone translated form he EHNO gene . Its biological function is poorly understood, but it was originally suggested to be linked to energy homeostasis and lipid metabolism .
Adropin has been suggested as an endogenous ligand for the orphan GPCR, GPR19 , although de-orphanisation requires further confirmatory evidence.
The amino acid sequence of this protein in humans, mice and rats is identical." . "Negative allosteric modulator of the human glucagon receptor ." . "SR8185 is a dual TBK1/IKK-ε inhibitor ." . "Compound II [PMID: 21329883] is an inhibitor of the atypical IκK kinase TANK-binding kinase 1 (TBK1) . TBK1 couples pathogen surveillance to induction of innate immune signaling, regulating the type I interferon response as a host defense mechanism." . "MPI-0485520 (MPC-9528) is a potent and highly selective small molecule inhibitor TBK1/ and IKKε. It is one of 80 structures claimed in Domainex's patent WO2012010826, where it is referred to as DMX-14 ." . "ARN-3236 is an orally active, ATP-competitive inhibitor of salt-inducible kinases (SIKs) . It is one of the chemical structures claimed in patent WO2014093383, in which it is referred to as Example 86 or compound 114 ." . "HsTX1[R14A] is a modified version of the scorpion toxin HsTX1 (also known as α-KTx 6.3; wild type peptide sequence ASCRTPKDCADPCRKETGCPYGKCMNRKCKCNRC). HsTX1 and this modified version are potent blockers of the Kv1.3 potassium channel. The R14A modification confers selectivity for Kv1.3 ." . "Psora-4 is a potent small molecule Kv1.3 channel blocker. It preferentially binds the C-type inactivated state of the channel." . "ML324 is a cell-permeable, small molecule inhibitor of lysine demethylase 4 (KDM4) family of histone modifying enzymes . KDM4 demethylases are responsible for the removal of H3K9 trimethylation marks from histones. The family members exhibit substantial mechanistic redundancy . ML324 demonstrates antiviral activity and is one of the chemotypes included in the Medicines for Malaria Pandemic Response Box (MMV PRB).

The compound also has antimalarial activity. The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "AZ8838 is a PAR2 antagonist that binds to PAR2 in a fully occluded pocket near the extracellular surface and competes with the tethered ligand. It was optimised from the weak antagonist, ." . "AZ1788 is a weak PAR2 antagonist. The structure was optimised to a more potent analogue, ." . "Apelin mimetic peptide agonist with reduced conformational flexibility, adopts a lactam constrained curved structure ." . "Truncated GLP-1 peptide agonist ." . "Enoblituzumab (MGA271) is a humanized IgG1κ mAb with enhanced ADCC. Its target is the B7-H3 (CD276) member of the B7 family of immune regulators . It has been engineered to enhance effector-mediated antitumor function via increased affinity for the activating receptor CD16A (FcγRIII) and decreased binding to the inhibitory receptor CD32B (FcγRIIB).
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record.
BLAST sequence analysis identifies exact matches with antibody peptides claimed in patent US8802091, and specifically with a construct designated as hBRCA84D-2 ." . "ONX-0801 (originally named BGC 945) is a first-in-class small molecule inhibitor of thymidylate synthase (TS), that has been designed to accumulate differentially in cancer cells overexpressing the α-folate receptor (FOLR1; P15328). Functionally, it resembles the TS inhibitors and . ONX-0801 is an oncology drug lead for epithelial tumours such as ovarian , lung and endometrial cancers, and mesothelioma tumours." . "Tislelizumab (BGB-A317) is a humanized IgG4 monoclonal antibody targeting the PD-1 immune checkpoint . It contains an alternative hinge region compared to other IgG4 anti-PD-1 antibodies, and subsequently does not induce the crosslinking between PD-1 and FcγRI that is observed for existing agents and which is believed to negatively impact on anti-PD-1 antibody-mediated anti-cancer activity. This modified profile is predicted to enhance tislelizumab's clinical efficacy . Like other anti-PD-1 antibodies tislelizumab acts to prevent the binding of the ligands PD-L1 and PD-L2 to PD-1. Tislelizumab is an immuno-oncology drug candidate that was originally developed by Beigene (see their patent US8735553B1 ), and Novartis announced that they had acquired the rights to tislelizumab in major markets outside China in January 2021." . "Endogenous ligand for ICOS that is expressed on the surface of antigen presenting cells. Inhibiting the ICOS/ICOSL axis is predicted to provide anti-inflammatory activity applicable for the treatment of autoimmune diseases.
The ICOSL protein contains an immunoglobulin (Ig)-like domain that resembles the antibody variable domain, that has been coined the 'V-set domain'. The genes for all human V-set domain containing proteins are listed in HGNC gene group 590.
The anti-ICOSL monoclonal antibody MEDI5872 (AMG557) is being evaluated in Phase 2 clinical trial in patients with primary Sjögren's syndrome (NCT02334306). Phase 1 trials of the same biologic in systemic lupus erythematosus (SLE) and psoriasis were terminated." . "Galectin 9 is a secreted lectin that is an endogenous ligand of the immune co-inhibitory receptor, TIM3. Galectins bind β-galactoside sugar modifications on proteins, and have been associated with metastasis and immunosuppression. Galectin 9 contains two tandem carbohydrate recognition domains (CRD) within its peptide structure. The CRDs are homologous but distinct in their primary sequence. The whole peptide sequence provided here is for the longest isoform reported to date. Uniprot records 6 human protein isoforms . Isoform 2 is known as ecalectin, and is reported to be a novel eosinophil chemoattractant produced by T lymphocytes . The regulation and function of galectin 9 in physiological and pathological conditions was reviewed by Hirashima et al. (2004) ." . "Oleclumab (MEDI9447) is a monoclonal antibody targeting the ecto-5'-nucleotidase (CD73), which is being investigated for oncology use . Functional studies show that MEDI9447 is a high affinity antagonistic mAb, showing non-competitive inhibition of CD73 hydrolysis of AMP. Two modes of action are suggested: prevention of steric conformational change required for catalytic active state, and inter-CD73 dimer cross-linking.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "Remtolumab (ABT-122) is a dual-variable domain immunoglobulin (DVD-IgTM) that specifically neutralises both TNF alpha and interleukin-17A, which was investigated for clinical anti-rheumatic potential . We note that ABT-122 is no longer included on the developer's (AbbVie) pipeline web page, suggesting that development has ceased. No affinity data is readily available in peer reviewed literature and we have failed to identify peptide sequences for both the IL-17A and TNFα binding domains of the antibody in any single patent document that would allow definitive identification of ABT-122, despite AbbVie holding several patents describing IL-17A/TNFα binding immunoglobulins.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "Rovelizumab (Hu23F2G) is a humanized IgG4 bispecific monoclonal antibody targeting integrin alpha L subunit (ITGAL, CD11A) and integrin beta 2 subunit (ITGB2, CD18) , which are components of the leukocyte adhesion integrin LFA-1. Rovelizumab was developed by Icos Corporation (later acquired by Eli Lilly) for potential use in multiple sclerosis, myocardial infarction and ischemic stroke.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "RG7112 is a clinical small-molecule MDM2 inhibitor designed to occupy the p53-binding pocket. In cancer cells expressing wild-type p53, this compound stabilizes it and activates the p53 pathway, leading to cell cycle arrest, apoptosis, and inhibition or regression of human tumour xenografts ." . "Mivavotinib (TAK-659) an orally available inhibitor of spleen tyrosine kinase (SYK), which is in clinical development for solid tumour and lymphoma malignancies. We have drawn the structure as represented in ." . "Catequentinib (AL3818; anlotinib in China) is a non-selective inhibitor of multiple receptor tyrosine kinases, including vascular endothelial growth factor receptor type 2 (VEGFR-2, FLT1) and type 3 (VEGFR-3, FLT4). It is being investigated for antineoplastic and anti-angiogenic potential. The dihydrochloride has PubChem CID 57380530. Preparation and crystallisation of AL3818 is described in patent WO2016179123 .
Note that anlotinib appears to be a 'pseudo' INN, that uses the -tinib INN stem for tyrosine kinase inhibitors, but has not been submitted to the World Health Organisation for ratification, and in fact a genuine INN request for 'catequentinib' was submitted for this chemical structure to the WHO (in Proposed List 121) and this became the recommended INN in April 2020.." . "Betrixaban is an orally active direct factor Xa inhibitor , that is an approved anti-thrombotic." . "BIA 10-2639 is a confirmed metabolite of the irreversible FAAH inhibitor , in which the N-oxide of BIA 10-2474 has been reduced to a pyridine ." . "OSE-127 is a humanised monolonal antibody targeting the α subunit of the IL-7 receptor (IL-7RA, or CD127). It is in preclinical development in autoimmune diseases, transplant rejection and immuno-oncology. It is likely one of the candidates claimed in patent WO2015189302 ." . "Clodronic acid is a first generation (non-nitrogenous) bisphosphonate drug. Clinically used drugs can contain sodium clodronate tetrahydrate, sodium clodronate, disodium clodronate tetrahydrate or disodium clodronate.

Kato et al. (2017) report that clodronic acid-mediated inhibition of the vesicular nucleotide transporter (VNUT, SLC17A9) suggests that this drug has potential as a transporter-targeted (and notably, non-opioid) analgesic drug for the treatment of chronic neuropathic and inflammatory pain . In this study clodronic acid was selective for VNUT compared to other vesicular transporters tested." . "This is one of the ligands for the PD-1 receptor. It is a single-pass type I membrane protein. The PD-L1/PD-1 interaction is an established immune checkpoint. Both the ligand and receptor are targets for novel immuno-oncology therapeutics, as over-expression of either of these proteins is a mechanism used by tumour cells to evade immune detection and destruction. Already the target of approved immunotherapeutics in the form of monoclonal antibodies, small molecules targeting the PD-1/PD-L1 checkpoint are now in development to address the shortcomings associated with the current antibody therapies (including, poor susceptibility rate to single immune checkpoint pathway inhibitors, long half-life of antibodies and association with the development of adverse events, problems connected to the requirement for intravenous infusions) ." . "BMS-202 is a small molecule that disrupts the PD-1/PD-L1 immune checkpoint interaction. It is the most potent of the (2-methyl-3-biphenylyl)methanol derivatives described in . NMR analysis suggests that BMS-202 promotes the formation of dimeric PD-L1 in solution. The X-ray crystal structure of the complex is deposited in the PDB, with accession 5J89 ." . "BMS-1166 is a small molecule that disrupts the PD-1/PD-L1 immune checkpoint interaction. It is the most potent of the [3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methanol derivatives described in , and it is claimed as Example 1166 in Bristol-Myers Squibb's patent WO2015160641A2 . NMR analysis suggests that BMS-1166 promotes the formation of dimeric PD-L1 in solution." . "This is the most potent compound developed via a pharmacophore and docking-based virtual screening campaign aimed at the discovery of small molecule inhibitors of the IL-15/IL-15R interaction . Specifically, the investigators were searching for compounds that inhibit IL-15 binding to the IL-2Rβ subunit which together with the γ subunit, forms the signal transducing component of the IL-15R complex. Although the compound was found to be non-selective for IL-15 over IL-2, as a first in vitro SAR study it provides crucial information on the key binding interactions of IL-15 with its IL-2Rβ binding site, that will be useful for futher compound optimisation." . "CBS-3595 is a dual inhibitor of p38α MAPK (MAPK14) and phosphodiesterase 4 (PDE-4) , a mechanism that represents a novel approach that may be useful for the treatment of pulmonary diseases (e.g. asthma and COPD) as well as other inflammatory diseases, for which there still exists a high level of unmet clinical need. The term Cytokine-Suppressive Anti-Inflammatory Drugs (CSAIDs) has been coined to describe compounds exploiting molecular mechanisms such as that targeted by CBS-3595." . "The structure shown here is ER-27319 free base, when in fact the biological activity has been evaluated using the ethanedioate as represented by PubChem CID 9799508 . ER-27319 is an inhibitor of spleen tyrosine kinase (Syk) however, given the high concentration of compound ER-27319 required to cause half-maximal inhibition of mast cells degranulation, targets other than Syk may also be inhibited. In addition ER-27319 targets the activation of SYK mediated through FcεR1γ ITAM, suggesting there is no direct interaction with the Syk ATP pocket. Whatever the mechanism ER-27319 action is specific to mast cells." . "Potent CB1 receptor agonist." . "Potent CB1 receptor agonist." . "Crotedumab (REGN1193) is a fully human IgG4 monoclonal antibody that functionally antagonises activity of the glucagon receptor (GCGR) in vitro . REGN1193 was investigated as a potential therapy for type 2 diabetes mellitus.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record.
This mAb is no longer included in Regeneron's development pipeline (access their pipeline webpage here)." . "ALT-803 (N-803) is an IL-15 superagonist developed to promote immune activation . It is being investigated as an immuno-oncology agent , as immunotherapy post-allogeneic transplantation for hematological malignancies , and as an HIV therapy.
ALT-803 is produced from a high-yield recombinant mammalian cell line which co-expresses an IL-15 activation mutant, IL-15N72D () and IL-15Rαsushi domain/Fc fusion protein () as a stable soluble complex. The sushi domain increases transpresentation of the ALT-803 complex to the IL-2β/γ dimer which is the signal transducing component of the IL-15 receptor. The IgG Fc domain increases in vivo half-life .
Image re-produced from Altor BioScience Corporation's ALT-803 fact sheet (download the pdf here).

COVID-19: ALT-803 is being evaluated for safety and efficacy as an immunostimulatory agent in patients with COVID-19. This study is predicated upon the hypothesis that activating NK and T cells, via the IL-15 pathway, in patients with mild-to-moderate stage COVID-19, might reduce viral load and protect against disease progression." . "Lorecivivint (SM04690, formerly adavivint) is a Wnt pathway inhibitor being developed by Samumed for immunomodulatory potential. It acts downstream of β-catenin, and its molecular targets are the intranuclear kinases CLK2 and DYRK1A through which it inhibits phosphorylation of serine/arginine-rich splicing factors, and SIRT1 and FOXO1 respectively . Wnt signalling is upregulated in tissues from osteoarthritic joints, and drives disease pathologies including inflammation . Wnt pathway inhibition by lorecivivint is being investigated as a disease-modifying treatment for osteoarthritis.
SM04690 is example 10 as claimed in patent US20160297812 . The chemical structure shown here was produced using the IUPAC name submitted to the WHO for the INN adavivint (via SMILES generated using Chemicalize) which was later renamed as lorecivivint. This SMILES string resolves to PubChem CID 123710737, although some of the double bonds in the molecule are not fully resolved, when compared to the images in US20160297812. CID 89837869 is an alternative representation." . "POM2-C-HMBP is a synthetic, cell-permeable prodrug of the Vγ2Vδ2 effector T cell activating isoprenoid (E)-4-hydroxy-3-methyl-but-2-enyl diphosphate (HMBPP) . This comound shows improved internalization into target cells compared to HMBPP. Internalization was essential for engagement of BTN3A1, and the enhanced Vγ2Vδ2 effector T cell-mediated lysis of cancer cells was BTN3A1-dependent. Note that Vγ2Vδ2 effector T cells are also known as Vγ9Vδ2 cells." . "Mardepodect (PF-2545920) is a selective, orally active inhibitor of phosphodiesterase (PDE) 10A . Identified using structure-based drug design, the compound is optimised for selectivity, brain penetration and drug-like properties. PF-2545920 is the first PDE10A inhibitor identified as a clinical lead utilizing this mechanism for the treatment of schizophrenia." . "Iberdomide (CC-220) is a novel cereblon modulator , functionally akin to and ." . "Delgocitinib (JTE-052) is an ATP-competitive pna-Janus kinase (JAK) inhibitor in development for anti-inflammatory potential . The chemical structure is disclosed in . The pharmacology of JTE-052 was previously reported in . Based on the developer's pipeline and patent claims, and on the structure submitted to the WHO for the INN delgocitinib, JTE-052 is likely to be compound 6 as claimed in patent US20140187534 . Compound 6 is the most potent (lowest IC50) optically active stereoisomer with the correct structure in the patent, although stereochemistry has not rendered unambiguously in the patent extraction, and an IUPAC name is not provided." . "Succinate receptor agonist" . "Succinate receptor agonist" . "Asivatrep (PAC-14028) is an antagonist of the transient receptor potential vanilloid type 1 (TRPV1) channel, developed by AmorePacific for anti-inflammatory potential in refractory dermatoses . It is claimed as example 230 in patent US7858621 . PAC-14028 is administered topically for skin inflammation." . "Prexton Therapeutics is developing foliglurax (PXT002331), as an orally active metabotropic glutamate receptor 4 (mGluR4) positive allosteric modulator (PAM), for symptomatic relief in Parkinson's disease, as an alternative to dopamine replacement therapies. Listings on ClinicalTrials.gov associate the research code PXT002331 to the INN foliglurax. To generate the structure we used the IUPAC name submitted to the WHO for the INN foliglurax to generate SMILES using Chemicalize." . "GSK3050002 is a humanized IgG1κ antibody with high binding affinity to the human chemokine, CCL20. This biologic is being developed by GlaxoSmithKline in collaboration with Morphotek, based on a non-humanized antibody originally identified by KAN Research Institute, Inc., a subsidiary of Eisai Co., Ltd." . "Gimsilumab (MORAb-022) is an investigational, fully human IgG1 monoclonal antibody being evaluated for its potential in the treatment of multiple inflammatory diseases and cancer. It targets granulocyte-macrophage colony stimulating factor (GM-CSF, CSF2), a growth factor involved in autoimmune diseases, such as rheumatoid arthritis, multiple sclerosis and asthma. In the cancer setting, MORAb-022-mediated blocking of CSF2 produces a pro-immunity microenvironment that leads to tumour tissue death in preclinical studies. Peptide sequences (from the WHO INN submission for gimsilumab) match sequences 8 and 12 from Morphotek Inc. patent WO2007092939 , and these sequences belong to monoclonal antibody clone G9 specified in the patent." . "K-8794 is an orally active selective ETB-receptor antagonist developed by Kowa in Japan. In 2017 it was crystalised in 5XPR with the Endothelin B receptor." . "This compound is claimed as example 36 in patent WO2013130892 , as a liver X receptor (LXR) modulator, with potential clinical utility as a topical agent for the treatment of inflammatory skin conditions. To elucidate the origins of this agent we used the IUPAC name submitted to the WHO for the INN rovazolac, which resolved to the SMILES string used to generate the chemical structure shown here. This SMILES string via SureChEMBL, identified patents claiming the structure which tracked forward to Relaxar Therapeutics disclosed development pipeline, and the research code ALX-101. However, this association is our prediction as the structure has not been formally disclosed in peer reviewed literature." . "Trilaciclib (G1T28) is a short-acting CDK4/6 inhibitor that was developed by G1 Therapeutics ." . "This DPP-4 inhibitor as a potential treatment for type 2 diabetes mellitus. ZY15557 is from the Indian company Zydus Research Centre, Cadila Healthcare . The structure corresponds to example 17 in . The patent includes 257 analogues but binned IC50s for only 50." . "EP4 antagonists from Eli Lilly are being investigated as analgesic and anti‐inflammatory molecules . This one is example 22 in patent US20160251306 , which has 43 analogues but reports only 2 IC50s." . "Maleic acid or cis-butenedioic acid is an organic compound that is a dicarboxylic acid, a molecule with two carboxyl groups." . "Succinate receptor agonist." . "Succinate receptor agonist" . "Latanoprostene bunod is a -donating analogue of the prostaglandin F2α agonist . This compound benefits from the additive hypotensive actions of both the prostaglandin agonist and NO. Latanoprostene bunod is the first NO-donating prostaglandin analogue to be granted FDA marketing approval ." . "Inavolisib (GDC-0077) is a potent and selective, orally available PI3K-p110α (PIK3CA) inhibitor, with potential antineoplastic activity. It is example 101 in patent US20170015678 (where it is named (S)-2-((2-((S)-4-(difluoromethyl)- 2-oxooxazolidin-3-yl)-5,6- dihydrobenzo[f]imidazo[1,2- d][1,4]oxazepin-9- yl)amino)propanamide) . GDC-0077 is one of the agents in Genentech's oncology discovery pipeline. A preprint from May 2021 suggests that inavolisib's mechanism of action includes the ability to target oncogenic mutant PI3K-p110α for degradation, in addition to its enzyme inhibitory activity ." . "Selective D1 receptor full agonist" . "Ozoralizumab is a trivalent albumin-binding nanobody that binds to and neutralises circulating TNFα. This biologic agent is being investigated for anti-inflammatory potential. The peptide sequence for ozoralizumab submitted in its WHO INN record is identical to SEQ ID NO: 96 (TNF30) in patent US8703131 , and identifies the albumin nanobody as ALB8. The patent claims a trivalent construct of TNF30-linker-ALB8-linker-TNF30." . "This Amgen BACE1 inhibitor for Alzheimer's disease, AMG-8718, had a balanced profile of potency, hERG binding affinity, and Pgp recognition. It also produced robust and sustained reductions of CSF and brain Aβ levels in a rat pharmacodynamic model . However, retinal thinning was observed in a 1-month toxicity study in the rat and further studies suggested this to be an off-target effect where, in the rat, AMG-8718 impairs phagolysosomal function, leading to photoreceptor dysfunction and ultimately loss of photoreceptors . The compound is example 288 in from over 1000 analogues, but only binned activity data is provided. While the PubChem Bioassay data and other sources link to this structure note that MMDB and PubMed link their PDB structure to a different tautomeric representation as PubChem CID 86580376." . "NSC157058, the most potent compound reported in this paper , is a Zikavirus protease inhibitor, possibly binding at the NS2B-NS3 interface. It was also an inhibitor of ZIKV propagation in human fetal neural progenitor cells and in vivo in SJL mice ." . "Rontalizumab is a humanized monoclonal antibody targeting interferon alpha (IFNα) that has immunomodulatory potential. It was humanized from a mouse monoclonal as described in , and peptide sequences of the antibody (identified as humanized 9F3v13) are claimed in Genentech patent US7582445 .
Rontalizumab is functionally similar to . Development of both of these anti-IFNα agents has been discontinued. Compare these with , which targets the type I interferon receptor (IFNAR1) rather than the ligand itself, and which has progressed to Phase 3 clinical trial.
A 3D X-ray structure of rontalizumab's Fab domain bound to IFNα2 has been published (PDB identifier 4Z5R) ." . "2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD), one of the most potent non-genotoxic tumor-promoting substances known. TCDD toxicity is primarily mediated through the aryl hydrocarbon receptor (AhR) where it acts as a high-affinity ligand." . "RIPA-56 is a highly potent, selective, and metabolically stable type III (allosteric) inhibitor of receptor-interacting protein kinase 1 (RIPK1) . It is claimed as compound 92 in patent WO2016101885 . RIPA-56 is a drug candidate for the treatment of systemic inflammatory response syndrome (SIRS)." . "DSM265 is an optimised candidate and clinical lead from the triazolopyrimidine structural class and represents a new class of antimalarial drug .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "TAM16 is a benzofuran inhibitor of MTB Pks13 with potent in vitro bactericidal activity against drug-susceptible and drug-resistant clinical isolates of M. tuberculosis. In multiple mouse infection models it showed in vivo efficacy equal to the first-line TB drug isoniazid . There is PDB structure 5V3Y and the compound is example 32 in . Analogues are exemplified with activity data (with some gaps)." . "Compound 47 is one of the most potent and selective IKKα inhibitors described in . It inhibits agonist-stimulated NF-κB signaling of the noncanonical pathway at much lower concentrations than the canonical pathway." . "Compound 34c is from a series of benzo[b]thiophhene inhibitors with antimalarial activity.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "BRD3444 is the hit compound from a series of bicyclic azetidines with promising antimalarial activity against all lifecycle stages of the Plasmodium parasite . Note that BRD3444 has complex stereoisomers (PubChem same connectivity and via the UniChem InChIKey backbone search in our summary table below).

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Fosdagrocorat (PF-04171327) is a glucocorticoid (GC) receptor partial agonist with anti-inflammatory potential. It is an example of a new class of GC substances termed dissociated agonists of the GC receptors (DAGR), that are being developed to improve the risk-benefit profile of GC drugs. DAGRs are designed to favour interaction of the GC receptor with protein partners rather than DNA, such that the transrepressive actions are enhanced over the transactivation effects. The hypothesis is that dissociating transrepression from transactivation will cause less undesirable effects on bone and glucose metabolism compared to current GC agonists such as (reviewed in ). Fosdagrocorat is example 2 in Pfizer's patent US8901310 . It is a phosphate ester prodrug of (example 1 in US8901310).
Synthesis and structure-activity relationship (SAR) of another series of DAGRs (by Boehringer Ingelheim Pharmaceuticals) are reported in ." . "Dagrocorat (PF-00251802) is the active metabolite of prodrug . See the ligand page for the prodrug for further details of its development and potential clinical utility." . "GSK866 is a prototype of a class of compounds called selective glucocorticoid receptor agonists (SEGRAs). SEGRAs exert their pharmacological effect by activation of only the transrepression pathway, which is in contrast to traditional glucocorticosteroids which activate both the transactivation and transrepression pathways. Development of SEGRAs is aiming to improve the risk-benefit profile associated with use of traditional glucocorticosteroids drugs. See also our entry for , a SEGRA that advanced to clinical trial. GSK866 is example 1 in , which is shown bound to the glucocortocoid receptor in the X-ray structure 3E7C. A series of novel covalently binding SEGRAs based on the structure of GSK866 is reported in . Note that there is some ambiguity in the literature and online chemistry resources as to the precise stereochemistry of this ligand. We show the S isomer as specificed by the SMILES string supplied in the PDB entry." . "Mapracorat is a novel non-steroidal selective glucocorticoid receptor agonist (SEGRA) . SEGRAs exert their pharmacological effect by activating only the transrepression pathway, which is in contrast to traditional glucocorticosteroids (GCs) which activate both the transactivation and transrepression pathways.The pharmaceutical industry is trying to develop new GCs that are as effective as traditional GCs, but with fewer limiting adverse effects. Mapracorat and are prototype compounds that were designed to address this clinical need." . "Takinib is a potent, ATP-competitive and selective inhibitor of the TAK1 kinase (MAP3K7) . It is reported to sensitize cells to TNF-α-induced apoptosis, an effect that has potential application in oncology and autoimmune disease treatment." . "Varespladib (LY315920) is a secretory phospholipase A2 (sPLA2) inhibitor in clinical development. The administered form can be varespladib sodium (A-001, for intravenuous administration) or varespladib methyl (A-002, for oral administration). The history of varespladib's discovery and development is summarized in ." . "Cevimeline is an orally administered cholinergic analogue with parasympathomimetic activity. The INN is a mixture of enantiomers. We show the structure without stereochemistry to represent the mixture." . "PF-04957325 is a selective inhibitor of PDE8 that is a useful chemical probe for studying the biological function of PDE8. It is compound 1-38 in patent WO2016030345 ." . "GNE-3500 is a potent, selective, and orally bioavailable retinoic acid receptor-related orphan receptor C (RORC or RORγ) inverse agonist, being evaluated for anti-inflammatory potential ." . "GSK2981278 is a potent and selective inverse agonist of the nuclear receptor retinoid-related orphan receptor, RORγ . It has been investigated for anti-inflammatory potential." . "Pyrotinib (SHR1258) is an orally administered, irreversible inhibitor of the tyrosine kinase activities of the EGFR (HER1), HER2 and HER4 . It is claimed as example 5 in patent US20120165352 ." . "JFD00064 is a non-peptidic inhibitor of aminopeptidase N (APN) . Unlike other APN inhibitors it is non-competitive with respect to the enzyme's zinc binding domain." . "KA1010 is a selective HDAC6 inhibitor that acts as an immunosuppressant . It was used as a tool to define the role of HDAC6 in the the human alloimmune response, and identified HDAC6 as a drug target with potential use in transplantation." . "BML-281 is an experimental selective HDAC6/3 inhibitor , that has demonstrated anti-inflammatory activity in a murine model of colonic inflammation ." . "MAB92 is an IL-36 receptor antagonistic antibody that mimics the action of IL-36RA cytokine . It is selective for the human IL-36 receptor. A related construct with overlapping epitope binding and function, MAB04, is mouse cross-reactive and is suitable for in vivo pharmacology studies ." . "PF-06426779 is an IRAK4 inhibitor. It is claimed as example 189 in Pfizer's patent WO2015150995 ." . "PF-06650833 is a small molecule, reversible, potent and selective IRAK4 inhibitor identified as a clinical lead . Its pharmacokinetic profile suggests it will be orally bioavailable. Structurally it is an analogue of . The chemical structure for the INN zimlovisertib is identical to the structure of PF-06650833." . "A virtual screening study to identify myeloperoxidase (MPO) inhibitors discovered compound 28 as the most potent from a library of 727842 compounds . Compound 28 is an irreversible, mechanism-based inhibitor." . "8c is a potent B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor with a favourable pharmacokinetic profile for drug development ." . "FX1 is a potent and selective BCL6 inhibitor rationally designed to target BCL6-driven diffuse large B cell lymphoma . FX1 inhibits binding of BCL6 corepressor proteins and formation of functional repression complexes at its endogenous target genes (BCL6 target genes include CD69, CXCR4, and CDKN1A loci)." . "Compound 1 is reported as a direct inhibitor of the protein-protein interaction between TNFα and both of its receptors (TNFRI and TNFRII) . The compound is orally active, which is in contrast to the TNFα biologics that are already in clinical use e.g. , and . Compound 1 interacts with TNFα in a two-site binding mode with a high affinity site (nM) and a low affinity site (μM) detected . This mechanism interferes with TNFα homotrimer (bioactive cytokine) formation, and thereby inhibits TNF receptor activation. The physicochemical properties of compound 1 are not optimal (especially wrt solubility), so some medicinal chemistry effort would need to be applied to create a more efficient drug-like molecule." . "Olaptesed pegol (NOX-A12) is an investigational inhibitor of CXCL12 activity, with a novel mechanism of action . Structurally it is an RNA oligonucleotide in L-configuration (Spiegelmer) conjugated to polyethyleneglycol (PEG). Its sequence is β-L-ribo-[(3'-5')-R-pG-C-G-U-G-G-U-G-U-G-A-U-C-U-A-G-A-U-G-U-A-U-U-G-G-C-U-G-A-UC-C-U-A-G-U-C-A-G-G-U-A-C-G-C], with R being PEG (sequence from the INN record for olaptesed pegol). Chemical synthesis of pegylated Spiegelmers is described by Hoffmann et al. (2011) . Functionally, olaptesed pegol competes with CXCL12 for heparin binding. Once bound to CXCL12, olaptesed pegol causes the release of CXCL12 from stromal cell-surface-bound glycosaminoglycans (GAGs e.g. heparin) and neutralization of the chemokine. This decreases CXCL12 interaction with its cognate receptor CXCR4. Olaptesed pegol was designed to interfere with CXCL12 in the tumour microenvironment, particularly for chronic lymphocytic leukemia, and for cell mobilization. Olaptesed pegol exhibits high binding specificity, low immunogenicity, and structural stability, but it is not orally bioavailable ." . "Derivative 17 is a potent GPR52 agonist with in vivo activity . GPR52 agonists are being investigated as novel anti-psychotics." . "Andrographolide is a major component of the leaves of the traditionally used medicinal plant Andrographis paniculata (Acanthaceae) . Andrographolide and analogues are being investigated for their potential anti-inflammatory activities , but andrographolide has also shown anti-viral, anti-thrombotic, hepatoprotective and anti-cancer properties . Accumulated evidence indicates that the principal mechanism undelying andrographolide's anti-inflammatory action is inhibition of NF-κB. Additional studies show that Nrf2 activation by andrographolide likely enhances endogenous antioxidant defense mechanisms. Direct covalent interaction with Cys62, and non-covalent binding are both required for andrographolide-induced inhibition of NF-κB p50 ." . "Proguanil is a biguanide derivative that, once administered, is converted to the active metabolite . It is an antimalarial drug, used in combination with or with .
The marketed formulations contain proguanil hydrochloride (PubChem CID 9570076).
" . "Cibinetide (ARA 290) is an engineered peptide that mimics the 3 dimensional structure of the helix B surface domain of erythropoietin (EPO). It is designed to bind selectively to the non-hematopoietic EPO receptor (sometimes referred to as the innate repair receptor or IRR), that is believed to be a heterodimer of EPOR and the cytokine family beta common receptor (βCR, CD131) . Non-hematopoietic EPO ligands have potential tissue protective and anti-inflammatory actions . The IRR is suggested to be a point of integration between the immune system and pain signalling (via nociception) .
Cibinetide is SEQ ID NO. 282 (and peptide ID) as claimed in patent WO2009094172 ." . "AZD2098 is a potent and bioavailable aminopyrazine sulfonamide CCR4 receptor antagonist discovered in a high-throughput screening/synthesis campaign ." . "AZD1678 is a potent and bioavailable aminopyrazine sulfonamide CCR4 receptor antagonist discovered in a high-throughput screening/synthesis campaign " . "GW766994 is an investigational CCR3 antagonist ." . "Compound 13c [PMID: 20684591] is a potent, orally active and competitive inhibitor of all three isoforms of protein kinase D . It is one of the chemical structures claimed in Novartis' patent WO2008122615 ." . "Compound 2g [PMID: 27390066] is a non-selective inhibitor of the human endoplasmic reticulum aminopeptidases ERAP1 and ERAP2 . The action of this compound can be compared with that of the ERAP2-selective ." . "Compound 3v [PMID: 27390066] is an inhibitor of the human endoplasmic reticulum aminopeptidase ERAP2, with ~400-fold selectivity over ERAP1 . It is suitable as a tool compound for elucidating the role of ERAP2 vs. ERAP1 in antigen processing and in human diseases. Its action can be compared with that of the non-selective ." . "Compound 12a [PMID: 29031075] is an analogue that was rationally designed in order to optimise COX-2 selectivity . Compound 12a has comparable in vitro COX-2 inhibitory activity to indomethacin and , but has improved selectivity for COX-2 compared to celecoxib (330-fold selectivity in this study ). In contrast, it is > 450-fold selective for COX-2 over COX-1." . "H. polygyrus Alarmin Release Inhibitor (HpARI) is a peptide isolated from the secretions of the parasitic helminth Heligmosomoides polygyrus . It was isolated for its anti-inflammatory activity, predicated by the observation that infection with parasitic worms in humans has protective effects against allergic inflammatory conditions such as asthma. HpARI was found to directly bind active IL-33, thereby disrupting the major cellular pathways that drive the inflammatory response to allergens (via group 2 innate lymphoid cells (ILC2s) and eosinophils for example). In addition HpARI also binds nuclear DNA, and was found to tether IL-33 within cells, limiting its release, to further prevent initiation of type 2 allergic responses.

WormBase Parasite has transcript HPBE_0000813301, which is identical to the transcript for HpARI identified by Osbourn et al. (2017) . The transcript encodes a 251 amino acid protein, the first 16 amino acids of which are predictive of a signal peptide motif. Analysis of its structure indicates the presence of three evolutionarily conserved Complement Control Protein (CPP) modules (a.k.a. Short Consensus Repeats (SCRs) or sushi-domains)." . "Tapinarof (GSK2894512) is an aryl hydrocarbon receptor (AhR) agonist . It is a naturally occurring polyphenol derived from bacteria that exist symbiotically with entomopathogenic nematodes. AhR was identified as the primary molecular target based on phenotypic screening using the DiscoveRx BioMAP Diversity Plus System and confirmed using AhR knockout mice. Tapinarof was the first steroid-free topical drug in this class to be approved as a plaque psoriasis medication." . "GI254023X is an ADAM10-selective inhibitor . It can be used as a pharmacological tool to interrogate the relevance of ADAM10 sheddase activity in biological assays." . "This compound 8 is a potent, selective and orally bioavailable RIPK2 inhibitor, that is suitable as an experimental tool to examine the effects of inhibition of RIPK2 in in vitro and in vivo experiments ." . "MK-0429 is an orally active, non-peptide inhibitor/antagonist of αv integrins . It was initially identified as a clinical lead with potential utility for the prevention and treatment of osteoporosis , but has since shown activity in other biological settings. MK-0429 binds to the αv's Arg-Gly-Asp (RGD)-motif binding domain (the RGD-motif is a conserved sequence in proteins that bind to αv integrins), thereby preventing interaction with RGD-containing binding partners such as osteopontin, bone sialoprotein, vitronectin, and fibrinogen." . "Compound III is an inhibitor of human and rat prostaglandin E synthase (PTGES, a.k.a. microsomal PGE synthase-1 or mPGES-1) . It is example 9 in patent WO2011023812, which claims >300 proposed mPGES-1 inhibitor structures ." . "Compound 12p is a selective agonist of Toll-like receptor 8 (TLR8) ." . "KBP-7018 is a multikinase inhibitor that simultaneously targets angiogenesis and fibrosis pathways . It is considered a lead compound for potential therapeutic intervention in idiopathic pulmonary fibrosis. The principal molecular targets of KBP-7018 are the c-KIT, RET and PDGFR tyrosine kinases." . "STK16-IN-1 is a selective inhibitor of serine/threonine kinase 16 (STK16) that can be used as a pharmacological tool to investigate the biological functions of STK16 . It is compound 219 in a 2010 patent claiming mTOR inhibitors ." . "BAY 61-3606 is an orally active multi-kinase inhibitor. Inhibitory activity against spleen tyrosine kinase (Syk) and IKKα has been demonstrated" . "LY2389575 is a negative allosteric modulator (NAM) that is selective for the metabotropic glutamate receptor 3 . May be used experimentally as the hydrochloride salt." . "BsAb (CD89-CD20) is a bi-valent antibody that binds tumour-expressed CD20 and FcαRI (CD89) on myeloid cells ." . "Atovaquone is a synthetic hydroxynaphthoquinone with broad-spectrum antiprotozoal activity. It is an antimalarial drug and used in combination with .
Note that we have drawn the molecule as specified by the INN record and ChEMBL entry listed on this summary page. The structure for PubChem CID 74989 (link in table below) is shown without specified stereochemistry (InChi Key BSJMWHQBCZFXBR-UHFFFAOYSA-N)." . "Oclacitinib is an oral pan-Janus kinase (JAK) inhibitor. It is approved as a veterinary drug for treating nonspecific allergic dermatitis and atopic dermatitis in dogs . We drew the structure as depicted in the WHO INN record for oclacitinib. SMILES generated from the INN structure resolve to PubChem CID 44631938 through structure match, but note that this CID is a tautomer/isomer without specified stereochemistry. The oclacitinib structure also resolves to example 1A claimed in patent WO2010020905, in which the possibility of cis/trans isomers is noted . Administered as oclacitinib maleate (PF-03394197-11, PubChem CID 44631937)." . "Solcitinib is a Janus kinase 1 (JAK1)-selective inhibitor, with anti-inflammatory activity ." . "CEP-37440 is an orally available, dual focal adhesion kinase (FAK) and anaplastic lymphoma kinase (ALK) inhibitor . The chemical structure is claimed in patent US20170369451 . The compound is an oncology lead candidate .
Note that this entry has been updated to reflect an error in the article that initially attributed this chemical structure to the compound BMS-986165 (online corrected article , erratum described in ). The structure of BMS-986165 has not in fact been disclosed." . "Potent beta-adrenoceptor antagonist, which is metabolized by CYP2D6." . "Compound 5 [PMID: 28038940] is a covalent inhibitor of TAK1 kinase (MAP3K7) . It was developed for its potential anti-proliferative activity in cells transformed by the KRAS oncogene." . "Compound 25 [PMID: 28038940] was developed alongside , but is a marginally more potent TAK1 (MAP3K7) inhibitor in biochemical enzyme activity assays than compound 5 . It has potential anti-inflammatory action, having been shown to normalise induced cytokine secretion from synovial fibroblasts isolated from a patient with rheumatoid arthritis ." . "CX549 is a C-X-C chemokine receptor type 4 (CXCR4) antagonist , CXCR4 being the receptor for the chemokine CXCL12. CX549 is claimed as compound 63 in patent WO2016048861 ." . "Tubastatin A is a selective histone deacetylase (HDAC) 6 inhibitor. It is claimed as example 6 in patent US8748451 ." . "VU6010608 is a selective, negative allosteric modulator (NAM) of metabotropic glutamate receptor mGlu7 , and represents a novel chemotype. VU6010608 is CNS penetrant and effective in electrophysiology studies making it an ideal tool compound suitable for investigating the physiology and therapeutic potential of mGlu7, however, its in vivo utility is limited by total and free levels achieved in the brain." . "Isunakinra (EBI-005) is a fusion protein containing domains from IL-1β and IL-1 receptor antagonist (IL-1Ra or anakinra) . It potently blocks IL-1R1 signalling, with higher affinity than anakinra. It was developed as a topical therapy for inflammatory diseases of the ocular surface." . "AM2201 is a highly potent synthetic cannabinoid . Both acute and long-term AM2201 intoxication has serious side-effects and can be lethal . AM2201 is the terminally fluorinated analogue of ." . "JWH-018 is a synthetic cannabinoid generated in the 1990s with limited selectivity between CB1 and CB2 receptors (original synthesis reported in: https://www.sciencedirect.com/science/article/pii/S0960894X01801554). In vivo, it displays the 'classical tetrad' activity of CB1 agonists, with analgesic, hypothermic, hypolocomotive and cataleptic properties . In the UK, it was the structural basis for definition of a series of compounds classified as Controlled Drugs under the Misuse of Drugs Act 1971 (Amendment) Order 2016 (see: https://www.legislation.gov.uk/ukdsi/2016/9780111148716). It is the non-fluorinated analogue of ." . "Linrodostat (BMS-986205) is a potent and selective, orally available indoleamine 2,3-dioxygenase 1 (IDO1) inhibitor , being investigated as an immuno-therapeutic for various malignancies. The INN for linrodostat specifies the (R) stereoisomer. The chemical structure is claimed as example 19 in Flexus Bioscience's patent US2016137652 and the compound is being taken through clinical development by Bristol-Myers Squibb. Mechanistically, linrodostat competes with the heme cofactor for binding to the apo-form of the enzyme, and once bound prevents heme from rebinding ." . "OSM-S-38 is an antimalarial lead, developed from a research collaboration employing an open source research mechanism .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "CPUY192018 binds to kelch like ECH associated protein 1 (KEAP1) and prevents its interaction with the transcription factor nuclear factor erythroid 2-related factor 2 (Nrf2; NFE2L2; Q16236) . CPUY192018 acts as a functional Nrf2 activator. It binds non-covalently to KEAP1, unlike the approved Nrf2 activator and the failed clinical lead , which form irreversible, covalent bonds with a key cysteine residue in KEAP1 ." . "Tibolone is a synthetic anabolic steroid with estrogenic, androgenic and progestagenic activities." . "Compound 5e is a potent FMS-like tyrosine kinase 3 (FLT3, a type III receptor tyrosine kinase) inhibitor that is in preclinical evaluation for the treatment of acute myelogenous leukemia (AML) ." . "Hp-TGM is a fully functional mimic of the mammalian pro-tolerogenic cytokine TGF-β that is secreted by the intestinal helminth parasite Heligmosomoides polygyrus . Hp-TGM replicates the receptor interaction, downstream signalling and anti-inflammatory activity (by activating host immunosuppressive regulatory T cells) of TGF-β, despite sharing no structural homology with the host cytokine. The activity profile of this peptide suggests potential for therapeutic application. The cDNA sequence for Hp-TGM is submitted to NCBI with accession MG099712." . "Atogepant is an oral calcitonin gene-related peptide receptor (CGRP) antagonist that that was doscovered by Merck, and which is now being developed by Allergan as prophylaxis of migraine ." . "BI-6901 is a selective inhibitor of the chemokine receptor CCR10 . This chemical structure is the active enantiomer (or eutomer) of the compound. The CCL27-CCR10 axis is a molecular target for the development of novel therapies for inflammatory skin conditions.
This ligand is one of the compounds available from Boehringer Ingelheim's opnMe molecular library." . "BI 653048 is a %22dissociated%22 glucocorticoid receptor (GR) agonist (displaying different transcriptional regulatory profiles between gene transrepression and transactivation). This type of drug is designed to reduce the unwanted side-effects common to traditional GR agonists . It has favourable drug-like properties, but because it has reduced mouse functional transrepression potency it is not suitable for evaluation in standard preclinical mouse models. BI 653048 is synthesised as the phosphoric acid (H3PO4) cocrystal to optimise physicochemical properties, stability characteristics, solubility and bioavailability compared to the free form .
This ligand is one of the compounds available from Boehringer Ingelheim's opnMe molecular library." . "BI 665915 is a FLAP (5-lipoxygenase activating protein) inhibitor .
This ligand is one of the compounds available from Boehringer Ingelheim's opnMe molecular library." . "BI-1935 is a potent and selective small molecule inhibitor of epoxide hydrolase 2 (a.k.a. soluble epoxide hydrolase, sEH). It is claimed as Example 3 in Boehringer Ingelheim's patent WO2007067836 .
This ligand is one of the compounds available from Boehringer Ingelheim's opnMe molecular library." . "SUVN-G3031 is a potent, orally active histamine H3 receptor inverse agonist, that has demonstrated wake-promoting activity in a rat sleep disorder model . It was synthesised as the dihydrochloride (PubChem CID 60151476). We present the parent molecule here." . "GSK2256294 is an epoxide hydrolase 2 (sEH) inhibitor." . "BI-1950 is a potent inhibitor of the LFA-1/ICAM-1 interaction. It is active in vitro and in vivo.
This ligand is one of the compounds available from Boehringer Ingelheim's opnMe molecular library." . "BIRT 377 is an orally active inhibitor of the LFA-1/ICAM-1 interaction ." . "Cipargamin is an antimalarial drug candidate, under clinical development. It is the optimised lead for the spiroindolones, a novel class of compounds identified from a phenotypic screen as having antimalarial activity and awarded MMV Project of the Year (2009).
The active enantiomer is shown here, with the 1R,3S configuration essential for antimalarial activity .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Benzodrocortisone is a synthetic glucocorticosteroid ." . "Tafenoquine is an 8-aminoquinoline derivative that has potent antimalarial activity and is a synthetic analogue of .
The INN record for tafenoquine indicates that it is a racemic mixture. We show the chemical structure without stereochemistry to represent the mixture. The non-isomeric structure is also represented in the PubChem and ChEMBL entries listed in the links table below, while the two enantiomers forming the racemate are represented by PubChem CID 76969187 and PubChem CID 76969188.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "(+)-SJ733 is the optimized lead for the dihydroisoquinolones (DHIQ), a novel chemotype with antimalarial activity .
The (+)-enantiomer, shown here, has a significantly higher antimalarial potency .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Semaglutide is a glucagon like peptide 1 (GLP-1) receptor peptidomimetic agonist . Structurally it is a modified analogue of with amino acids at positions 8 and 34 replaced by α-aminobutyric acid and arginine respectively, and Lys26 is acylated with stearic diacid. Semaglutide has slightly lower GLP-1 receptor affinity than , but this is compensated by an increased serum albumin affinity, which ensures improved resistance to metabolic degradation." . "Tropifexor (LJN452) is a potent non-bile acid agonist of the ligand-activated nuclear farnesoid X receptor (FXR) that is being developed by Novartis." . "KT-109 is a diacylglycerol lipase inhibitor ." . "MMV048 is the optimised lead compound for the 2-aminopyridines, a class of small molecules with promising antimalarial activity .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Mocravimod (KRP-203) is a sphingosine 1-phosphate receptor type 1 (S1P1R) agonist with immunomodulatory potential . It is a highly modified analogue of the approved MS drug ." . "Dezapelisib (INCB 40093) is a potent and selective PIK3δ inhibitor that was being developed as a potential therapy for B cell malignancies . Claimed as example 15 in patent WO2011008487, although only binned IC50 values are contained in this patent document ." . "Olamkicept is a recombinant protein that fuses the extracellular domain of the signal transducing subunit of the IL-6 receptor, IL-6Rβ (glycoprotein 130, gp130), to a human IgG Fc fragment . The full construct is a dimer of covalently linked identical peptide chains. Mechanistically olamkicept acts as an inhibitor of the IL-6 signalling pathway. Olamkicept inhibits trans signalling by the soluble IL-6 receptor (sIL-6R) , a mechanism that is involved in human inflammatory and autoimmune diseases . It is hypothesised to be clinically effective in reducing disease signs and symptoms whilst not being detrimental to the role of IL-6 in the acute immune response to infection." . "LEI105 is a diacylglycerol lipase (DAGL) inhibitor ." . "HPN is a synthetic bromophenol analogue of the algal-derived compound, BPN (PubChem CID10995003). It acts as a competitive inhibitor of the type 2 diabetes target, protein tyrosine phosphatase 1B (PTP1B; gene symbol PTPN1) . HPN is cell permeable and orally active, and exhibits a hypoglycaemic effect in animal models ." . "Trodusquemine is a naturally-occurring compound that acts as an allosteric (noncompetitive) inhibitor of protein tyrosine phosphatase 1B (PTPN1) . PTPN1 inhibitors are being evaluated for potential anti-type 2 diabetes effects." . "LEAP2 is an endogenous peptide with antimicrobial properties, that is part of the humoral immune response to microbes. It is expressed in the liver. LEAP2 has also been identified as an endogenous antagonist of the appetite-stimulatory hormone, ghrelin, that is secreted in the stomach and which acts via the pituitary/hypothalamic ghrelin receptor (growth hormone secretagogue receptor, or GHSR) ." . "GDF15 is a TGFβ family protein. A commentary on the function(s) of GDF15 was published in 2017 . Experimental evidence indicates that the biological effects of GDF15 are mediated by signalling via a GFRAL/Ret complex ." . "Iguratimod is a methanesulfonanilide disease-modifying anti-rheumatic drug . Evidence from a mouse colitis model shows an anti-inflammatory effect of iguratimod, partly via regulation of Th17/Treg cells , that suggest iguratimod as a novel therapeutic for the treatment of IBD." . "M5717 (formerly DDD498) is a quinoline-4-carboxamide derivative that is the optimised lead developed from a phenotypic screen for novel antimalarial drugs and has advanced to clinical evaluation. The compound was awarded MMV Project of the Year (2014).

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Tectorigenin is a plant derived isoflavone that has been shown to protect mammalian cells against oxidative, hydrogen peroxide-induced damage, by activating catalase ." . "Fosmidomycin was first identified as antibacterial but also has antimalarial activity.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "The antifolate compound P218 is a potent and selective inhibitor of P. falciparum bifunctional dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) and was designed to overcome the emergence of parasite resistance to this class of antimalarial compound .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "CID2745687 is an antagonist of the orphan GPCR, GPR35 , that is a suitable chemical probe to help elucidate GPR35 pharmacolology." . "Compound 83 is a high affinity GPR35 agonist ." . "Lodoxamide is a mast cell stabilizing anti-inflammatory drug. Clinically administered forms may contain lodoxamide trometamol/tromethamine." . "Emicizumab, is a humanised bispecific antibody that binds blood coagulation factors IXa and X and acts as a factor VIII mimetic to bring about activation of factor X, and promote coagulation . In essence, emicizumab works by bridging between coagulation factors IX and X and is the first-in-class drug for haemophilia A prevention with this mechanism of action." . "Macimorelin is a ghrelin peptidomimetic . It is a growth hormone (GH) secretagogue. The approved drug is the acetate salt (PubChem CID 71526737)- we show the parent molecule in this entry." . "NDT9513727 is a non-peptide inverse agonist of C5aR1 ." . "NOP receptor-selective nonpeptide agonist ." . "PAM for the δ-opioid receptor." . "6E11 is a non-ATP competitive, small molecule, selective inhibitor of the necroptosis-related enzyme receptor interacting serine/threonine kinase 1 (RIPK1) . It was identified using a phenotypic cell-based assay designed to detect the ability of test compounds to inhibit TNF-driven necrotic death. Although 6E11 is less potent than in vitro, it provides a novel core for structural optimization." . "Necrostatin-1 is an inhibitor of necroptosis . It inhibits RIPK1 and IDO enzyme activities ." . "Necrostatin-1s is a more stable analogue of , that is more appropriate for in vivo investigations ." . "Evobrutinib is a Bruton's tyrosine kinase Inhibitor discovered by Merck, that has clinical potential across multiple autoimmune conditions (including rheumatoid arthritis, systemic lupus erythematosus, multiple sclerosis) . it is an orally active, ootent, and highly selective inhibitor with a covalent binding mode. The chemical structure is claimed as A250 in patent WO2012170976 ." . "PXS-4681A is reported as a potent, selective and irreversible inhibitor of semicarbazide-sensitive amine oxidase (SSAO; also known as vascular adhesion protein-1 or VAP-1) with drug-like properties (note that the compound was synthesised as the hydrochloride salt and that we show the chemical structure for the parent molecule). PXS-4681A has antiinflammatory effects in vitro and in vivo ." . "Mofegiline was originally identified as a monoamine oxidase B inhibitor . Subsequently it has also been identified as an allylamine type irreversible, mechanism-based inhibitor of SSAO/VAP-1 enzyme activity . It has antiinflammatory effects in vitro and in vivo. However mofegiline lacks the selectivity exhibited by more recently developed inhibitors such as ." . "PBT-3 is a stable hepoxilin analogue, that antagonises hepoxilin effects in vitro and in vivo . Hepoxilin A3 is an unstable lipid mediator (a proinflammatory eicosanoid derived from arachadonic acid) that acts as a potent neutrophil chemoattractant in the acute phase of the inflammatory response, and has been implicated in the process of NETosis by human neutrophils ." . "Bifikafusp alfa (Darleukin) is a fusion protein of pro-inflammatory IL-2 and an L19 human mAb fragment (scFv domain) that binds the tumour microenvironment expressed fibronectin extradomain B (EDB) . Structurally it is a diabody with two IL-2 units per molecule. Incorporation of the L19 binding fragment targets the drug to the tumour, improving selective site accumulation and tumour killing and at the same time reducing the effective dose required to achieve a meaningful response, and reducing the otherwise dose-limiting toxicities associated with high-dose IL-2 administration that would be required to produce the same killing effect. Darleukin is one of a growing number of so-called 'immunocytokines' entering clinical development." . "Onfekafusp alfa (Fibromun; L19-TNF) is a trimeric homodimer that forms from engineered peptides for the L19 antibody in scFv format fused to human TNF . LIke , Fibromun targets the TNF to the tumour microenvironment via L19 binding to the angiogenesis-associated isoform of fibronectin (specifically the extradomain B or EDB). Fibromun is being investigated as an immuno-oncology therapeutic. It is one of a growing number of so-called 'immunocytokines' entering clinical development." . "MP13 is reported in a BioRxiv preprint as a nanomolar inhibitor of SARS-CoV-2 main protease (Mpro) . The same structure was claimed in a 2006 Pfizer patent %22Anticoronviral compounds and compositions, their pharmaceutical uses and materials for their synthesis%22 as example 13 ." . "Camrelizumab is a fully human anti-programmed cell death 1 (PD-1) monoclonal antibody being developed as an immuno-oncology therapeutic.

SARS-CoV-2 and COVID-19: Clinical efficacy of camrelizumab plus thymosin in patients with COVID-19 will be evaluated in clinical trial NCT04268537." . "Dual κ receptor/δ receptor agonist ." . "Low-potency partial agonist, designed to have reduced agonist activity but to maintain relatively high binding affinity to the receptor ." . "Compound 9 [PMID: 26006010] is a reversible BTK inhibitor that was designed to have a long target residency time with a resulting increase in the duration of in vivo target engagement, and with the overall aim of improving in vivo drug efficacy . Compound 9 has a cysteine-reactive, inverted cyanoacrylamide scaffold structure that interacts with Cys481, a residue that lies outwith the catalytic domain of the enzyme but close to the ATP pocket (and is also a target of the irreversible inhibitor ). It has good aqueous solubility and is orally bioavailable. Compound 9 may be PRN473 as described in , but PRN473's structure has not been formally disclosed." . "Ex_31 is a selective autotaxin (ATX, ENPP2) inhibitor . It is claimed as example 31(24) in patent WO2012005227 ." . "Conteltinib (CT-707) is a multikinase inhibitor with activity vs. FAK, ALK and Pyk2 tyrosine kinases . It is being developed by Centaurus Biopharma for antineoplastic potential." . "Pecazine is a phenothiazine derivative that was historically used as an antipsychotic/tranquillizer, but use has replaced by newer drugs. Pecazine is also an allosteric inhibitor of MALT1 protease activity . It may be used experimentally as the acetate or hydrochloride." . "Potent TRPML1 channel activator" . "Lanraplenib (GS-9876) was claimed as a Syk tyrosine kinase inhibitor in Gilead Sciences' patent US9290505 . Formal name>structure was disclosed in 2020 . Lanraplenib is in development for autoimmune diseases including SLE and Sjögren's syndrome." . "Mavelertinib (PF-06747775) is a third generation mutant EGFR receptor tyrosine kinase inhibitor that has potential antineoplastic activity . It is an irreversible inhibitor with selectivity for mutant EGFRs carrying the four common mutants (exon 19 deletion (Del), L858R, and double mutants T790M/L858R and T790M/Del) over wild-type EGFRs." . "Peposertib (M-3814) is an orally available inhibitor of DNA-dependent protein kinase (DNA-PK), that is being investiated for potential antineoplastic activity . Experimental evidence indicates that M-3814 potentiates the effect of radiotherapy in several xenotransplanted human tumour types , an effect that is being evaluated in human cancer patients in a clinical trial. The compound is claimed as example 136 in patent WO2014183850 ." . "Pemigatinib (INCB54828) is a FGFR inhibitor claimed in Incyte Corporation's patent WO2014007951 . It is equipotent at FGFR subtypes 1-3 ." . "Roblitinib (FGF401) is a first-in-class, potent and selective, reversible-covalent FGFR4 inhibitor. It is claimed as example 83 in patent US9266883 . FGF401 is being evaluated for antineoplastic effects against solid tumours characterized by FGFR4, FGF19 or KLB/Klothoβ expression, in particular for FGF19-driven hepatocellular carcinoma ." . "Surufatinib is an oral tyrosine kinase inhibitor that selectively targets VEGFR 1, 2, and 3, FGFR1 and CSF-1R, to inhibit key angiogenic and immune pathways in solid tumours. Surufatinib's chemical structure is claimed in patent WO2011060746, and its use as a potential anti-angiogenic agent is included . In this patent it is referred to as 'Compound of Formula A'." . "Tepilamide fumarate (XP23829) is a small-molecule fumaric acid ester prodrug of (MMF). It is being developed by Arbor Pharmaceuticals (formerly XenoPort) as a potential treatment for autoinflammatory diseases." . "Mosedipimod (EC-18) is a monoacetyldiglyceride that is being investigated for anti-inflammatory potential . It is a synthetic form of a major constituent isolated from the antlers of Sika deer. In preclinical studies the anti-inflammatory effects were determined to be associated with iNOS suppression . EC-18 has also been shown to attenuate IL-4 production . We show the chemical structure without specified stereochemisrty to represent the racemic mixture. Note that CHEMBL157366 represents a specific stereoisomer of this compound." . "Lenabasum (ajulemic acid) is a synthetic derivative of the non-psychoactive cannabinoid THC metabolite 11-nor-9-Carboxy-THC (PubChem CID 108207) . It is a non-selective cannabinoid receptor agonist . Lenabasum exhibits potentially useful analgesic and anti-inflammatory actions ." . "MLS000536924 is an inhibitor of human 15-lipoxygenase-2 (15-LOX-2) that was identified using high throughput screening ." . "Enexasogaol (6-Shogaol) is a bioactive phytochemical isolated from ginger (Zingiber officinale Roscoe). It has anti-inflammatory, analgesic and antioxidant properties ." . "Elismetrep (example 104) is claimed in patent WO2012124825 as a TRPM8 antagonist . TRPM8 antagonists have been considered as non-opioid analgesics for the treatment of chronic pain, or as agents to combat cold induced allodynia and hyperalgesia (reviewed in ). TRPM8 antagonists can cause an adverse effect of hot sensation or induce hypothermia." . "Diroleuton (dihomo-gamma-linolenic acid; DGLA) is a 20-carbon-chain fatty acid that is structurally very similar to arachadonic acid (AA). It competes with AA for binding to the substrate binding sites of the COX and lipoxygenase enzymes, and this effect reduces the production of inflammatory mediators (eicosanoids) from AA. DGLA can be converted to and eicosapentaenoic acid (), the latter being a precursor for the synthesis of series-3 prostaglandins, series-5 leukotrienes and series-3 thromboxanes." . "Difamilast (OPA-15406) is a topical, selective, nonsteroidal PDE4 inhibitor that is being developed for the treatment of atopic dermatitis . The chemical structure is claimed as example 352 in patent WO2007058338 ." . "PRN1371 is an irreversible (covalent) and potent FGFR inhibitor that is being developed for antineoplastic potential . It is highly selective for FGFR1-4 compared to other kinase enzymes." . "Efgartigimod alfa (ARGX-113) is a first-in-class antibody fragment designed for the treatment of patients with severe autoimmune diseases associated with high levels of pathogenic immunoglobulin G (IgG) autoantibodies . It binds to the IgG receptor, major histocompatibility complex class I-like Fc receptor (FcRn, the protein product of the FCGRT gene). Efgartigimod alfa inactivates FcRn's IgG binding ability (the FcRn-IgG interaction normally protects IgG from degradation) thus facilitating accelerated catabolism of native pathogenic autoantibodies . The mechanism of this drug action is discussed more comprehensively in Roopenian and Akilesh (2007) and Vaccaro et al. (2005) ." . "Cusatuzumab (ARGX-110) is a highly potent, afucosylated, humanized IgG1 anti-CD70 antibody being investigated for potential against solid and hematological tumours ." . "TY-51469 is a chymase inhibitor ." . "Compound 7f is an orally bioavailable acidic mammalian chitinase (AMCase; CHIA) inhibitor ." . "α-NETA is a small molecule inhibitor of the chemerin receptor 1 (CMKLR1) , a chemoattractant receptor involved in leukocyte trafficking. This compound may be used as the iodide salt (PubChem CID 11957648). We show the chemical structure for the parent molecule." . "This compound is an agonist of hydroxycarboxylic acid receptor 1 (HCAR1, formerly GPR81) ." . "This is a synthetic peptide designed as a long-acting CMKLR1 agonist. The construct tethers the potent chemerin receptor agonist to the outer surface of the cell membrane, in juxtaposition to the receptor .
Structural and sequence details are:
1-56 TNFα type II transmembrane domain
57-78 repetitive glycine-asparagine linker
79-88 myc epitope tag
89-99 repetitive glycine-asparagine linker
100-108 at the carboxy terminal of the construct .
In vivo delivery is achieved by lipidating the chemerin nonapeptide portion of the construct .
The potent chemoattractant mediating effects of CMKLR1 has lead to the development of chemerin agonists as candidate therapeutics to improve resolution of inflammation, particularly as has been established in asthma models ." . "Derazantinib (ARQ087) is an orally bioavailable, non-selective FGFR inhibitor being investigated for antineoplastic activity. Preclinical activity is reported by Hall et al. (2016) ." . "Futibatinib (TAS-120) is a covalent (irreversible), non-selective FGFR inhibitor that was developed for anti-tumour activity . It is claimed as Example 2 in patent WO2013108809 . It can overcome acquired resistance to ATP-competitive FGFR inhibitors (such as and ) in intrahepatic cholangiocarcinomas that harbour FGFR2 kinase domain mutations . A case study in a patient with metastatic cholangiocarcinoma, whose tumour had a FGFR2-CORO2B gene fusion and a -induced resistance mutation, demonstrated tumour shrinkage in response to futibatinib treatment ." . "Zoligratinib (DEBIO1347) is a FGFR1/2/3 inhibitor that is being investigated for antineoplastic activity . The compound is ATP-competitive, potent and orally available." . "Orthosteric agonist of GPR84." . "Rogaratinib (BAY-1163877) is a FGFR-selective kinase inhibitor that is being investigated for antineoplastic activity. The parent molecular structure is claimed as Example 1 in patent WO2013087578, and the dihydrochloride is claimed as Example 2 ." . "PIM447 is a potent and selective pan PIM kinase inhibitor , that is being investigated for clinical efficacy against hematological malignancies." . "BI-2545 is a potent autotaxin inhibitor , that is a tool compound suitable for in vitro and in vivo studies. It is one of the compounds available via the Boehringer Ingelheim opnMe innovation/collaboration molecular library. Click here to link to the opnMe page for BI-2545." . "Vamotinib (PF-114) is a third generation BCR-ABL kinase inhibitor . It was designed to target wild-type resistance mutations in BCR-ABL (including the T315I gatekeeper mutation) in order to overcome drug resistance in Philadelphia chromosome positive (Ph+) leukemias. The chemical strucure is claimed in patent WO2012173521 where it is the first compound listed in Table 1 of the patent . Off-targets identified by kinase profile screening include ABL2/ARG, DDR1, DDR2, FMS, FRK/PTK5, LCK, LYN, LYNB, PDGFRα and RET which had <10% residual activity when exposed to 100 nM of inhibitor . We matched PF-114's chemical structure to the INN 'vamotinib' that was released in the WHO's proposed INN list 127 (21 July 2022)." . "Compound 25c was originally reported as an inhibitor of SARS-CoV 3CL protease (Mpro) . It is virtually inactive against SARS-CoV-2 Mpro (IC50 >10 μM) ." . "Compound 7f [PMID: 29191554] is a chymase 1 inhbitor . The chemical structure is claimed as example/compound 32 in patent WO2011078413 ." . "CU-CPT8m is a small molecule functional Toll-like receptor 8 (TLR8) inhibitor . Analysis reveals that the compound binds to a site between the two subunits of the TLR8 homodimer, in its resting state, and so prevents activation." . "Compound (S)-23 is a γ-lactam sulfone type PLA2-G7 (Lp-PLA2) inhibitor . It is less lipophilic than the clinically evaluated inhibitor, ." . "Compound 37 [PMID: 29193967] is a potent, orally bioavailable PLA2-G7 (Lp-PLA2) inhibitor. Structurally it is has a novel sulfonamide scaffold, and is a candidate for further optimisation. Compounds of different chemotypes are being explored as tools to examine the pharmacological modulation of PLA2-G7 as a target for clinical intervention- see also (failed Phase 3 trial in coronary heart disease), (completed Phase 2 for Alzheimer's disease) and (tool compound)." . "Darigabat (PF-06372865) is an orally active, GABAA receptor positive allosteric modulator, that selectively targets GABAA receptors containing α2/3/5 subunits over receptors containing α1 subunits . The α1 subunit is associated with the (undesirable) sedative effects of benzodiazepine drugs, whilst the α2/3 subunits contribute to their anxiolytic and analgesic activities and the α5 subunit to effects on memory function. The chemical structure of this compound is claimed as 'Example 4' in patent WO2014091368 . Pfizer are developing PF-06372865 for clinical potential in the treatment of chronic pain and photosensitive epilepsy, but have terminated development in generalized anxiety disorder." . "Sch.336 is a novel inverse agonist that is selective for the cannabinoid receptor CB2 that is expressed on peripheral immune cells . It is suitable for in vitro and in vivo studies." . "Seletalisib is an orally bioavailable, potent and selective, ATP-competitive, small molecule inhibitor of PI3Kδ that is being developed by UCB Pharma for the treatment of immune and inflammatory diseases ." . "Rozanolixizumab is an anti-human FcRn monoclonal antibody that is being developed for potential use in the treatment of IgG-driven autoimmune diseases ." . "CFZ533 is an anti-CD40 monoclonal antibody that is designed exhibit no agonist activity and is non-depleting (no ADCC activity for an improved safety profile, particularly in non-oncologic indications). It is claimed in Novartis' patent WO2012065950 as mAb1 (based on peptide sequence alignments between the INN record for iscalimab and patented sequences retrieved from a BLAST search). Blocking CD40-mediated inflammatory responses is a well advanced mechanism being expoited for potential to treat autoimmune and inflammatory disorders and/or for preventing/reducing graft rejection following organ transplant." . "SAR-20347 is an experimental small molecule Janus kinase 1 (JAK1)/ tyrosine kinase 2 (TYK2) inhibitor . It has anti-inflammatory potential, via inhibition of Th17 proinflammatory cytokine production (e.g. IL-22 and IL-23) and signaling." . "Imaprelimab (PRX-003) is an anti-MCAM mAb developed as a novel therapy for psoriasis. In patients with autoimmune diseases, a subset of MCAM+ve T cells (which have an effector memory T-helper 17 phenotype) produce high levels of pro-inflammatory IL-17 . Pharmacological disruption of MCAM function is thought to be a valid mechanism for the treatment of autoimmune inflammation. Peptide sequence alignments identify imaprelimab as one of the preferred antibodies claimed in patent WO2014039975 (SEQ IDs 119 and 123 match the sequences submitted to the WHO for INN imaprelimab). These peptide sequences map to the construct identified as h2120VH5/L3." . "Abrezekimab (UCB4144) is an anti-IL-13 agent that is in development as an anti-asthmatic agent. Peptide sequences submitted to the WHO for the INN abrezekimab, match sequences claimed in UCB Pharma patent US8691233, namely sequence IDs 35 and 27 of the preferred antibody named Ab652 in the patent submission . This biologic has been designed as a high-affinity antibody fragment that suitable for inhalation, to provide a more rapid onset of action at lower doses than subcutaneous systemic administration . Efficacy has been demonstrated in asthma." . "Sutimlimab (TNT009) is a humanised, monoclonal antibody that is designed to selectively inhibit the classical complement pathway by targeting C1s ; C1s being the serine protease component of the C1-complex in the complement pathway of the immune system. It prevents hemolysis. Sutimlimab is claimed in True North Therapeutics' patent WO2016164358A1 and is likely to be the antibody designated as VH4/VK2 based on peptides matches between those provided in the submission to the WHO for INN sutimlimab and those in the patent application (namely SEQ IDs NOs 42 and 44). The research code TNT009 was changed to BIVV009 when True North Therapeutics were acquired by Bioverativ (a Sanofi company) in 2017, and clinical trials are ongoing using both of these code names." . "This is the parent molecule of a slow-release donating molecule. It is used experimentally as the morpholine salt, morpholin-4-ium 4 methoxyphenyl(morpholino) phosphinodithioate (PubChem CID 53393943) , which is used as a pharmacological tool compound to study the biological functions of H2S in vitro and in vivo. H2S is a gasotransmitter that exhibits vasodilator and anti-hypertensive activity, and has anti-inflammatory effects." . "beta-2 selective adrenergic antagonist" . "Calpeptin is a dipeptidyl inhibitor of calpain cysteine proteases." . "Compound 2f is a hybrid molecule that combines a selective glycogen synthase kinase-3β (GSK-3β) inhibitor () with the acetylcholinesterase (AChE) inhibitor . It is predicted that this approach may improve clinical efficacy in Alzheimer's disease (AD) by simultaneously targeting these two crucial AD targets, and presents as a useful tool for furthering AD drug discovery. It is active in vitro and in vivo." . "This compound is a selective GSK-3β inhibitor that was initially discovered in and subsequently included as one of the active moeities in the novel dual GSK-3β/acetylcholinesterase inhibitor ." . "AZD9567 is a synthetic, selective glucocorticoid receptor (GR) partial agonist . It was designed to offer an improved side-effect profile compared to conventional full agonist GR anti-inflammatory dugs. AZD9567 is one of the chemical structures claimed in patent WO2016046260A1 ." . "A1 adenosine receptor antagonist" . "CCT241161 is an orally active pan RAF inhibitor that also inhibits SRC family kinases . It was designed to show that the addition of SRC family kinase inhibition alongside RAF inhibition is able to circumvent the paradoxical SRC-mediated re-activation of the RAF-MAP kinase pathway that is observed in tumours with acquired resistance to RAF inhibitors. CCT241161 is marginally more potent in vitro than the analogue ." . "GSK1059615 is a PI3K and mTOR dual inhibitor . Some data on this compound is nested in a paper characterising GSK2126458 that we have as Omipalisib. GSK1059615 was later reported to inhibited survival and proliferation of established (SCC-9, SQ20B and A253 lines) and primary human HNSCC cells, possibly the latter via programmed necrosis pathway . However,a Phase 1 dose-escalation study against solid tumors or lymphoma was terminated prematurely (July 2017) due to lack of sufficient exposure." . "CCT196969 is an orally active pan RAF inhibitor that also inhibits SRC family kinases . It was designed to show that the addition of SRC family kinase inhibition alongside RAF inhibition is able to circumvent the paradoxical SRC-mediated re-activation of the RAF-MAP kinase pathway that is observed in tumours with acquired resistance to RAF inhibitors." . "Levosalbutamol is a short-acting β2-adrenoceptor agonist used in anti-asthma medications. Structurally it is the R enantiomer of the racemic mixture that has the INN . Levosalbutamol belongs to the 'short-acting beta-agonist' (SABA) drug family." . "Piezo1 channel activator" . "BACE1 inhibitor for Alzheimer's disease jointly developed by Eisai and Biogen Inc. Phase 3 clinical study and FDA granted Fast Track designation. As of Feb 2018 no peer reviewed journal publications but structure identified in the patent ." . "Compound 11 is a peptidyl-diphenyl phosphonate PR3 inhibitor, designed for enhanced inhibitory efficacy . PR3 inhibitors have therapeutic potential for infectious and inflammatory diseases. Its peptide structure is represented as Bt-Val-Tyr-Asp-nValP(O-C6H4-4-Cl)2. Compound 11 is suitable for studies in primate models and human tissues, but is inactive vs. rodent PR3 ." . "Phelorphan is an inhibitor of enkephalin-degrading enzymes ." . "Roche progressed RG7129/RO5508887 into clinical trials in 2011 as a potent aminooxazoline inhibitor against BACE1 but not selective over BACE2. In October 2013, development ceased without explanation. The most recent peer reviewed paper, is a mouse study in combination with anti-Aβ antibody gantenerumab . A patent has published with an SAR set of 84 IC50 values , and there are also a total of 14 PDB structures from this series published, including RO5508887 ." . "Due to good brain penetration, oral doses of Novartis NB-360 completely block amyloid-β deposition in an APP transgenic mouse model . Data across species suggest similar treatment effects can possibly be achieved in humans. The reduced neuroinflammation upon amyloid reduction by NB-360 treatment supports the notion that targeting amyloid-β pathology can have beneficial downstream effects on the progression of Alzheimer's disease. Note this inhibitor is equipotent against BACE2 in vitro. NB-360 did not progress to clinical development, but is suitable as an effective pharmacological tool to investigate the effects of BACE-1 inhibition in Alzherimer's disease models . There is a recent paper describing impairment of synaptic plasticity in mice via Seizure Protein 6 . One of the Novartis patents has a SAR set of 184 IC50 values ." . "This work describes an approach to identify β-secretase 1 (BACE1) fragment binders. Assays, NMR and crystallographic studies with the soluble domain of BACE1 identified a unique binding mode for compound 12, a fragment that still occupies the active site while not making any interactions with catalytic Aspartic acid residues . The very low IC50 of 0.5 mM is a consequence of being a fragment but this is unusual in having a PDB crystal structure 5MXD showing the novel active site interactions." . "Cenerimod is a potent and selective S1P1 receptor modulator with unique S1P1 receptor signaling properties and absence of broncho- and vasoconstrictor effects ex vivo and in vivo. It dose-dependently lowered circulating lymphocyte counts in rats and mice after oral administration and effectively attenuated disease parameters in a mouse experimental autoimmune encephalitis (EAE) model . There is an Actelion patent where cenerimod is example 2 along with 30 EC50 values ." . "A range of picolinamide derivatives, linked to an arylpiperazine moiety, were prepared and their affinity to 5-HT1A, 5-HT2A and 5-HT2C receptors determined. Compound 3b showed subnanomolar affinity towards 5-HT2A ." . "RU1968 is a cross-species inhibitor of CatSper Ca2+ channels . It can be used as a chemical probe to elucidate the function of CatSper channels in sperm from different species." . "17-Allylamino-17-demethoxygeldanamycin (17-AAG)1 is a semisynthetic inhibitor of the 90 kDa heat shock protein (Hsp90) currently in clinical trials for the treatment of cancer. However, 17-AAG faces challenging formulation issues due to its poor solubility. The synthesis and evaluation of a highly soluble hydroquinone hydrochloride derivative of 17-AAG, 1a (IPI-504) was reported in . A Phase I trial indicated this was well-tolerated with some evidence of antitumor activity, serving as a clinical proof-of-concept that HSP90 inhibition remains promising . Note this ligand entry is an exception to our general rule of salt-stripping because it is clear in this case that the hydorchoride is being used. The parent structure is PubChem CID 11534420." . "Alvespimycin is an analogue of the antineoplastic benzoquinone antibacterial , a heat shock protein (HSP) 90 inhibitor. It has been used in trials studying the treatment of solid tumours in various cancers. It has particularly complex stereochemistry with 45 'same-connectivity' relationships in PubChem." . "Geldanamycin is a benzoquinone antibacterial that inhibits HSP90 and promotes the proteasomal degradation of oncogenic signaling proteins." . "Sulfanegen is an experimental antidote for cyanide poisoning as a prodrug for . Note the common representations are for the unresolved racemate (see 'same connectivity' in PubChem) and the sodium salt PubChem CID 68973741." . "Using a set of PET ligand design parameters, compound 3 (PF-06684511) was rapidly identified as a lead with favorable in vitro attributes and structural handles for PET radiolabeling. Further evaluation in a LC-MS/MS cold tracer study in rodents revealed high specific binding to BACE1 in brain. Upon radiolabeling, [18F]3 demonstrated favorable brain uptake and high in vivo specificity in nonhuman primates (NHP), suggesting its potential for imaging BACE1 in humans ." . " with high specific binding to BACE1 in brain, upon radiolabeling with [18F] demonstrated favourable uptake and high in vivo specificity in nonhuman primate, suggesting its potential for imaging BACE1 in vivo ." . "Positive allosteric modulator of the GABAB receptor." . "Vβ9/Vδ2 T-cells have been shown to be activated by small molecule phosphoantigens (PAgs). The aryloxy triester phosphoramidate prodrug ProPAgen 5b is a potent and specific activator of these cells as a potential immunotherapeutic agent . The molecular mechanism of action is unkown but evidence supports PAgs binding the intracellular B30.2 domain of butyrophilin 3A1." . "Tanzisertib (CC-930) is a potent, selective, and orally active first generation JNK inhibitor . It inhibits JNK1/2 but with a JNK2 bias. Tanzisertib is being investigated for potential antifibrotic activity based on preclinical evidence that JNK enzyme function is required for key steps in the pulmonary fibrotic process. Preventing/reducing fibrosis represents a more favourable treatment modality that offered by current therapies for idiopathic pulmonary fibrosis which delay the loss of lung function but do not stabilise and/or reverse fibrotic tissue damage." . "CZ415 is a potent and selective, ATP-competitive mTOR inhibitor that has potential anti-inflammatory activity ." . "Potent MOPR agonist and DOPR antagonist; a MOP/DOP bifunctional opioid." . "Potent LIM kinase inhibitor." . "Potent and selective LIMK inhibitor." . "Ozagrel is a thromboxane A synthetase (CYP5A1; TBXAS1) inhibitor that has anti-inflammatory action . Note that some of the bioactivity data for ozagrel relate to use of ozagrel sodium or ozagrel hydrochloride." . "Merestinib (LY2801653) is a type II ATP-competitive multikinase inhibitor . It inhibits several kinases including the oncokinases MET (the hepatocyte growth factor [HGF] receptor), RON (MST1R), AXL, MERTK, MKNK1/2, and Tie2/TEK. Merestinib exhibits anti-tumour activity in vitro and in vivo and is orally available." . "Compound 19a is the most potent of a series of STAT6 inhibitors reported by Mandal et al. (2015) . STAT6 inhibitors are being developed for their potential to inhibit the expression of genes contributing to asthma. Compound 19a is a phosphopeptide mimic that blocks interaction of the IL-4 and IL-13 receptors with the SH2 domain of STAT6, thereby preventing the downstream transcriptional sequelae of STAT6 activation. The structure is claimed in patent WO2014182928 ." . "Agatolimod is synthetic CpG oligodeoxynucleotide that acts as a TLR9 agonist . We show the parent molecule, whereas the USAN specifies agatolimod sodium (PubChem CID 56841789), and the synonyms we list may also refer to the sodium congener. Its nucleotide sequence is d(P-thio)(T-C-G-T-C-G-T-T-T-T-G-T-C-G-T-T-T-T-G-T-C-G-T-T)." . "CH-4051 is an orally available (MTX) analogue that is designed to resist metabolic degradation . This strategy was employed to improve the safety and tolerability profile compared to MTX, since a significant proportion of the toxicity profile of MTX can be attributed to its polyglutamylated and hydroxylated metabolites. Like MTX, CH-4051 has anti-inflammatory, autoimmune and anti-tumour properties and is a potent inhibitor of dihydrofolate reductase, an enzyme required for cell proliferation. The racemic mixture of CH-4051, known as CH-1405 (represented by the non-chiral structure in PubChem CID 9846537) , completed Phase 2 development for rheumatoid arthritis, and exhibited comparable efficacy to MTX . Structurally, CH-4051 is the more active L-4'-methylene-glutamic acid containing diastereomer (or S-enantiomer) of CH-1405 ." . "EBI-2511 is a potent and orally active EZH2 inhibitor that was designed for clinical anti-neoplastic potential ." . "CR6086 is a potent and selective prostaglandin E2 receptor 4 (EP4) antagonist that that is being investigated for immunomodulatory potential, that may be suitable for the treatment of rheumatoid arthritis ." . "Mirikizumab (LY-3074828) is a humanized monoclonal antibody against human IL-23A (IL-23p19) which is designed for the treatment of autoimmune diseases. It is one of the novel agents for immune-mediated inflammatory diseases discussed in Baker et al. (2018) . The peptide sequences of mirikizumab heavy and light chains are 100% matches to sequences 9 and 10 of Antibody I that is claimed in patent US9023358 ." . "Fontolizumab (HuZAF) is a humanized anti-IFNγ mAb designed for the treatment of auto-immune diseases like Crohn's disease. This antibody is claimed in patent US6329511 . It is one of the novel agents for immune-mediated inflammatory diseases discussed in Baker et al. (2018) ." . "This compound was developed by Galapagos as a MAPKAPK5 inhibitor, in the search for a novel anti-inflammatory mechanism that would be applicable to the treatment of rheumatoid arthritis (RA). The discovery pathway is detailed in the pdf entitled 'Discovery of inhibitors of MAPKAPK5, a novel target for rheumatoid arthritis', which is available online here. The chemical structure is claimed in Galapagos patent WO2007138072A2, as compound 183 . This compound (compound D) is likely to be a relation of the Galapagos clinical candidate GLPG0259, which failed in Phase 2 clinical trial in patients with -refractory RA ." . "Potent PAR2 antagonist that inhibits multiple PAR2-induced signaling pathways and functional responses." . "GW274150 is a selective inducible nitric oxide synthase (iNOS) inhibitor that is active in vitro and in vivo ." . "GW406381 is a cyclooxygenase inhibitor that is selective for the COX2 isozyme, that has clinical potential for the treatment of inflammatory pain ." . "LX2931 (LX3305) is a first-in-class, orally available, functional S1P lyase inhibitor, that has been investigated for anti-inflammatory potential . Note that LX2931 does not block S1PL catalytic activity in a biochemical assay even at 100 μM ." . "MK-0359 is a potent and selective, oral PDE4 inhibitor that has a competitive and reversible mode of interaction. MK-0359 is identified as L-454,560 by citation in . MK-0359 inhibits both the apo- (Mg2+ free) and holoenzyme ((Mg2+-bound) states of PDE4 ." . "Kelatorphan is an inhibitor of zinc metallopeptidases. The structure of kelatorphan bound to leukotriene A4 hydrolase has been determined by X-ray crystallography " . "MK-0873 is an optimized investigational PDE4 inhibitor with favourable in vitro and in vivo profiles that support clinical development ." . "Pateclizumab is a humanized anti-lymphotoxin alpha (LTA) monoclonal antibody that is being investigated for anti-inflammatory potential. Peptide sequences for the heavy and light chains of pateclizumab are 100% matches to sequences 106 and 107 that are claimed in Genentech's patent US7923011B2 . Sequences 106 and 107 identify pateclizumab as antibody 2C8.vX as defined in the patent." . "Petesicatib is the INN for a cathepsin S inhibitor. The structure (and CAS registry number) submitted to the WHO match PubChem CID 59543597, and this ties the INN together with the research code RO5459072 assigned by Hoffman-La Roche to their cathepsin S inhibitor . This same chemical structure is claimed in Hoffmann-La Roche patent WO2010121918A1, where it is example 238 ." . "Rabeximod is an orally active immunomodulator. It has potent anti-rheumatic effects in animal models and is being evaluated as a potential drug for rheumatoid arthritis patients. The structure was originally claimed in patent WO2005123741A1 (Compound E) for anti-inflammatory potential , and later for antiviral potential in patent WO2014140321A1 (example 2). The molecular mechanism of action of this compound vis its anti-inflammatory activity remains unclear." . "ML300 was originally designed as a noncovalent, non-peptide-like inhibitor of SARS-CoV 3CL proteinase (Mpro) . It also inhibits Mpro of SARS-CoV-2 ." . "BMS-986142 is a potent, highly selective and reversible small molecule BTK inhibitor , that is being investigated for anti-inflammatory potential ." . "Late sodium current inhibitor (Late INai) of the cardiac NaV1.5 channel . A May 2018 BJP paper indicates GS-458967 suppresses Torsades de Pointes (this was an author prepublication alert for a new ligand entry). The Gilhead patent has % inhibition data for 355 analogues ." . "Apilimod was originally identified as an inhibitor of IL-12/IL-23 production , but the molecular mechanism behind this biological effect was undetermined. Inhibition of IL-12/IL-23 production has application for the treatment Th1-and Th17-mediated immunologic pathologies (which are driven by IL-12 and IL-23 respectively) . Apilimod has subsequently been identified as a selective inhibitor of the type III phosphoinostol kinase, PIKfyve .
We provide structural details for the parent molecule, but some bioactivity data may relate to use of the mesylate salt form as stipulated by the compound's USAN (see PubChem CID 115273300).

PIKfyve has been reported as being required for Ebola virus (EBOV) infection of host cells , and indeed apilimod has anti-EBOV activity in vitro. More broad-spectrum antiviral activity against Lassa virus (LASV), Marburg virus (MARV) and SARS-CoV-2 is supported in the literature. Activity of PIKfyve is markedly modulated by SARS-CoV-2 infection in vitro, and indicates potential hijacking of phosphatidylinositol enzyme activities by the coronavirus . Pharmacological inhibition of this kinase with apilimod has anti-SARS-CoV-2 activity in two model cell lines, A549-ACE2 cells (IC50 7 nM) and Vero E6 cells (IC50 80 nM), and in human iPSC-derived pneumocyte-like cells . A 2022 publication reports that the in vitro inhibition of coronavirus replication by apilimod is not translated to the same activity in a murine model of COVID-19 , and that in fact apilimod worsened symptoms in this model. One explanation for this is that PIKfyve has also been implicated as a key component of antigen presentation by dendritic cells . So in respect of the investigation of apilimod in SARS-CoV-2 infection (NCT04446377), inhibition of antigen presentation, the immune response to new antigens, and T-cell activation, might induce a level of immunosuppression that exacerbates exisiting infection or could increase risk of succumbing to other infections during apilimod treatment . Results from the apilimod clinical trials will be interesting." . "Vidofludimus (4SC-101) is a small molecule dihydroorotate dehydrogenase (DHOD) inhibitor that was developed for immunosuppressive potential . It has an improved toxicity profile in comparison to the clinically used disease modifying anti-rheumatic drug (DMARD) .
Since its initial development, vidofludimus has been superceded by IMU-838 which is an orally active polymorph of vidofludimus calcium (PubChem CID: 56944639) .SARS-CoV-2 and COVID-19: The target of vidofludimus, DHODH, plays a role in the metabolism of activated T cells and B cells to regulate the inflammatory response. It has been advanced to clinical trial in patients with severe COVID-19, to as attempt to block the release of pro-inflammatory cytokines and temper hyperinflammation in these patients." . "Revamilast (GRC 4039) is an orally active, selective phosphodiesterase IV (PDE4) inhibitor, that was developed by Glenmark Pharmaceuticals for the treatment of multiple inflammatory conditions (rheumatoid arthritis (RA), asthma, chronic obstructive pulmonary disease (COPD) , multiple sclerosis, osteoarthritis, neuropathic pain). The chemical structure is claimed as Example 26 in Glenmark patent WO2006064355A2 . GRC 4039 is no longer listed on Glenmark's development pipeline webpage." . "Zanubrutinib (BGB-3111) is a potent, selective and irreversible BTK inhibitor that was developed by BeiGene for utility in the treatment of B cell cancers, such as non-Hodgkin's lymphoma and chronic lymphocytic leukemia (CLL) ." . "Poseltinib (HM71224) is an inhibitor of Bruton's tyrosine kinase (BTK). Having shown anti-inflammatory activity in rodent models of rheumatoid arthritis (RA) and SLE , it was advanced to clinical trial as a potential RA therapy. The chemical structure is claimed in Hanmi patent WO2011162515A2 (Example 228)." . "Olafertinib (CK‐101) is an orally available third-generation, selective inhibitor of epidermal growth factor receptor (EGFR) harbouring activating mutations (e.g. the resistance mutation T790M, the L858R mutation and the exon 19 deletion (del 19) mutation). It is an irreversible (covalent binding) inhibitor with minimal activity towards the wild type EGFR. The chemical structure is claimed as Example 153 in patent US20170050936A1 ." . "Tregalizumab (BT-061) is an anti-CD4 monoclonal antibody that was developed by Biotest Ag as a potential anti-rheumatoid arthritis therapy ." . "Orally active, selective, and reversible protease-activated receptor 4 (PAR4) antagonist . BMS-986120 is an antiplatelet clinical candidate." . "TAK-828F is a potent, selective, and orally available novel retinoic acid receptor-related orphan receptor γt (RORγt) inverse agonist . The X-ray structure of RORγt in complex with TAK-828F has been submitted to the Protein Data Bank (6BR3)." . "Lofexidine is a selective α2-adrenoceptor agonist . The INN defines this drug as a racemic mixture of stereo isomers. We show the chemical structure without specified stereochemistry to represent the mixture. Oral lofexidine tablets contain the hydrochloride salt." . "Branebrutinib (BMS-986195) is a potent, covalent, irreversible inhibitor of the TEC family non-receptor tyrosine kinase, Bruton's tyrosine kinase (BTK) . BTK is essential in antigen-dependent B cell signaling and function, and is a therapeutic target for oncology and rheumatic diseases. Branebrutinib is a clinical lead for the treatment of rheumatoid arthritis, as claimed in Bristol-Myers Squibb's patent US20160115126A1 (Example 223) ." . "Pixatimod (PG545) is a heparan sulphate mimetic that acts as an inhibitor of the heparanase enzyme . Structurally it is a cholestanol-conjugated sulfated oligosaccharide." . "GNE-8505 is a selective inhibitor of dual leucine zipper kinase (DLK) that is being developed by Genentech (claimed in patent WO2014111496) , with similar imidazole derivatives being claimed by the University of Texas in patent WO2018044808 . We have drawn the structure as depicted in Siu et al. (2018) where it is identified as compound 9 ." . "PSB-17365 is the most potent of a series of synthetic GPR84 agonists reported by Pillaiyar et al. (2018) . This compound is a stable experimental tool that is suitable for in vitro and in vivo studies designed to further clarify the physiological role(s) of GPR84 and examine its therapeutic potential." . "Compound 3a is an inverse agonist (as determined by functional GTPγS assay) of the histamine H3 receptor ." . "VUF14738 is a bidirectional photo-switchable histamine H3 receptor antagonist based on the structure of . The chemical structure shown here is the photo-activated isomer that binds the H3 receptor under UV illumination. VUF14738 binding is 'switched-on' by UV light. VUF14738 swiftly and reversibly photoisomerizes (via trans/cis conversion) and is suitable for spatiotemporal studies of H3 receptor signaling. See also , which operates in the opposite direction." . "VUF14862 is a bidirectional photo-switchable histamine H3 receptor antagonist based on the structure of . The chemical structure shown here is the photo-activated isomer that binds the H3 receptor under UV illumination. VUF14862 binding is 'switched-off' by UV light. VUF14862 swiftly and reversibly photoisomerizes (via trans/cis conversion) and is suitable for spatiotemporal studies of H3 receptor signaling. See also , which operates in the opposite direction." . "Agonist at both the prostanoid FP and EP3 receptors that has clinical efficacy as an ocular hypotensive agent ." . "PAR4 antagonist" . "PAR4 antagonist" . "Pelubiprofen is a nonsteroidal anti-inflammatory type compound . Structurally it is an aryl propionic acid derivative, like . The INN-defined agent is a racemic mixture of enantiomers. We show the structure without specified stereochemistry to represent the mixture. Pelubiprofen is described as a prodrug of 2-arylpropionic acid with modest selectivity for COX2 ." . "Tetomilast is a PDE4 inhibitor. Inhibition of PDE4 blocks the oxidative burst in human neutrophils, which is a major mediator of tissue injury in inflammatory diseases. Tetomilast (OPC-6535) was originally identified as an inhibitor of superoxide production by human neutrophils . The clinical potential of PDE4 inhibition in inflammatory bowel disease was reviewed by Salari and Abdollahiin 2012 ." . "UFM24 is a flavone extracted from the Annonaceae Uvaria flexuosa . It exhibits anti-inflammatory effects that are mediated by inhibition of PDE4 cAMP phosphodiesterases in neutrophils. The anti-inflammatory activities (inhibition of superoxide anion generation and elastase release from human neutrophils in response to fMLP) of seco-cyclohexenes and cyclohexenes isolated from Uvaria flexuosa leaves are reported by Hsu et al. (2016) ." . "Compound 48 is an orally active, selective histamine H4 receptor antagonist that was developed as a potential therapy for the pruritis and inflammation associated with atopic dermatitis ." . "A novel serotonin and norepinephrine reuptake inhibitor with 5-HT2A antagonist activity." . "TIQ-15 is a CXCR4 antagonist . It is the parent molecule of the analogue . CXCR4 antagonists are being developed for potential clinical utility as anti-cancer agents. However, TIQ-15 is unsatisfactory as a clinical lead as it suffers from poor oral bioavailability and off-target liabilities (primarily inhibition of the central hepatic drug-metabolising enzyme CYP450 2D6)." . "Compound 46c is a CXCR4 antagonist. It is a structural analogue of . CXCR4 antagonists are being developed for potential clinical utility as anti-cancer agents. Compared to TIQ-15, 46c has improved predicted intestinal permeability and reduced inhibition of CYP450 2D6, which is one of the most important hepatic drug-metabolising enzymes, and inhibition of which can cause adverse drug-drug interactions. These enhanced drug-like features make 46c a more suitable clinical lead than TIQ-15." . "BMS-962212 is a reversible, direct, and highly selective small molecule inhibitor of the serine protease FXIa ." . "Cortistatin A is a steroidal alkaloid isolated from the marine sponge Corticium simplex. It is a high affinity inhibitor of several protein kinases, including ROCK, CDK8, and CDK11 . It has anti-proliferative and anti-angoiogenic activities ." . "JH-VIII-49 is a synthetically produced analogue of the natural product . Like cortistatin A, JH-VIII-49 is a potent inhibitor of CDK8. Inhibition of CDK8 by small molecular agents is being explored as a novel mechanism for cancer therapy." . "JH-XI-10-02 is a bivalent molecule described as a PROTAC (proteolysis targeting chimera) that simultaneously inhibits CDK8 kinase activity and recruits E3 ligase CRL4Cereblon to target CDK8 for destruction via E3 ligase-mediated ubiquitination and proteasomal degradation. JH-XI-10-02 contains a domain that is connected to the CDK8 inhibitor via a PEG linker. It is the pomalidomide moiety that binds to the ubiquitously expressed E3 ligase receptor cereblon. The kinase inhibitor portion of the molecule is almost identical to ." . "MDG 548 is a peroxisome proliferator-activated receptor γ (PPARγ) agonist that was identified by virtual screening, and validated by in vitro assays ." . "RP-101075 is an active metabolite of . It demonstrates similar in vitro specificity for S1P receptors as ozanimod and has a comparable pharmacodynamic profile in vivo." . "MIDD0301 is a positive allosteric GABAAR modulator . MIDD0301 targets specific GABA receptor subtypes (α4- and α5-containing receptors) that are selectively expressed in airway smooth muscle, airway epithelium, and inflammatory cells , and in this way offers the potential to alleviate asthma pathophysiology with a reduced likelihood of causing systemic side effects. It acts both as a bronchodilator and as an anti-inflammatory agent." . "Marbostat-100 is a histone deacetylase (HDAC) inhibitor that is selective for HDAC6 . It is a lead structure identified by structure-activity-relationship and medicinal chemistry efforts. HDAC6 isoform-specific compounds are predicted to provide anti-inflammatory activity relevant to the treatment of chronic immune and inflammatory disorders." . "Pyrazolopyrimidine 4n was discovered as the most potent analogue in a SAR campaign to identify novel activators of the TRPC3/6/7 cation channels ." . "Talabostat (PT-100, or Val-boroPro) is a compound with potent anti-tumour activity. It is a non-selective inhibitor of post-proline-cleaving serine proteases. Talabostat activates macrophages at least in part via inhibition of the serine peptidase, fibroblast activation protein (FAP) , an action that has been examined for anti-cancer utility and anti-fibrotic potential . More recently talabostat has been reported as an inhibitor of the cytosolic serine dipeptidyl peptidases Dpp8 and Dpp9, and that inhibition of these related enzymes stimulates the immune system via the selective promotion of proinflammatory cell death (pyroptosis) of monocytes and macrophages . This process involves Dpp8/9-induced activation of the NOD-like pattern recognition receptor NLRP1, a protein that acts as an inflammasome sensor, followed by activation of pro-caspase-1 and eventually to pyroptosis ." . "Compound 9 is a selective inhibitor of the prolyl serine peptidase fibroblast activation protein (FAP) . FAP inhibitors were developed as potential anti-tumour agents, but failed to show significant clinical efficacy in cancer patients." . "Selective antagonist of the mineralocorticoid receptor that has progressed to clinical trials in a number of indications ." . "Compound 1 is a photoactivatable α5β1 integrin ligand . Structurally it is a selective α5β1 integrin ligand (a peptidomimetic of the RGD adhesive motif found in several extracellular matrix (ECM) proteins) linked to a 3-(4,5-Dimethoxy-2-nitrophenyl)-2-butyl ester (DMNPB) photocleavable chromophore. When intact, the compound is unable to bind the integrin, but upon exposure to light the chromophore is cleaved and the ligand then behaves as an antagonist of α5β1 interaction with ECM substrates. The photactivation of compound 1 allows precise, in situ, dose-responsive and temporal study of the role played by α5β1 integrin-dependent processes in cell adhesion and migration.
α5β1 integrin is a molecular target that plays recognised roles in tumour angiogenesis and cancer cell migration and metastasis , that is being expoilted for clinical utility in cancer indications . α5β1 may also be an immune system/inflammation relevant target ." . "This GLP-2 analogue (peptide 10 in ) was designed to increase the peptide's metabolic stability (and in vivo pharmacokinetic profile) beyond that of the clinically approved DPP4 resistant GLP-2 analogue , with the aim of providing sustained therapeutic effects. GLP-2 analogue 10 achieves increased half-life by the incorporation of a covalent Cys-mediated side-chain cross-link (or staple) that stabilises the α-helical conformation of the peptide. The terminal PSSGAPPPS sequence of 10 is the C-terminal extension of which improves the peptide's solubility.
The intestinotrophic effects of GLP-2 (e.g. promotion of intestinal growth, reduced epithelial cell apoptosis and inflammation) has led to the development of GLP-2 analogues for the treatment of GI disorders such as short bowel syndrome, inflammatory bowel diseases and potentially other intestinal insufficiency diseases." . "Pyr10 is a pyrazole-derived compound that acts as a transient receptor potential cation channel 3 (TRPC3) blocker . It can be used to discriminate between TRPC and Orai-mediated Ca2+ entry." . "MMPA is an orally bioavailable dual inhibitor of soluble epoxide hydrolase (sEH) and phosphodiesterase 4 (PDE4) . It was designed to provide enhanced analgesia for the treatment of inflammatory pain. MMPA can be described as a polypharmacological agent, i.e. a single molecule with at least two pharmacophores in a novel molecular design." . "Inhibitor 32 is a novel autotaxin inhibitor whose structure is based on the non-natural δ-norleucine scaffold ." . "AH10-7 is a sphinganine α-galactosylceramide (or galactosylsphingamide) that has been designed for the potential to activate CD1d-restricted invariant natural killer T (iNKT) cells as a mechanism to augment immune responses against cancer and infections . It is an analogue of KRN7000 (PubChem CID 2826713, a.k.a. α-GalCer) that was originally developed for its potent immunomodulatory effects, and which was investigated as an immuno-oncology agent . However, KRN7000 induces both Th1 and Th2 cytokine production, and produces a suboptimal immune response, which likely accounts for its apparent limited efficacy in clinical trials . AH10-7 overcomes KRN7000's unpredictable effects by promoting a Th1-biased immune response, which suggests that it will elicit more favorable results against cancer and infection (whereas a Th2-biased response would likely be of more benefit against autoimmune diseases). Both KRN7000 and AH10-7 are ligands for the lipid-binding MHC class I-like protein CD1d. Recognition of lipid-based antigens presented by CD1d sets iNKT cells apart from conventional T cells.
Van Kaer and Wu (2018) have published a review of the therapeutic potential of iNKT cells in autoimmune conditions and the application of unconventional T cells in immuno-oncology is reviewed by Godfrey et al. (2018) and Krijgsman et al. (2018) ." . "Praliciguat (IW-1973) is a potent, orally available soluble guanylyl cyclase (sGC) stimulator . sGC stimulators/activators have potential as heart failure therapeutics . Praliciguat exhibits anti-hypertensive, reno-protective, anti-fibrotic effects and anti-inflammatory activities. Effects observed in renal fibrosis models suggests potential for the treatment of diabetic nephropathy." . "SAR7334 blocks calcium entry via TRPC6, TRPC3 and TRPC7 ion channels ." . "Uracil 20 is a small molecule caspase-1 inhibitor that was developed as a topically active anti-inflammatory agent for the treatment of inflammatory acne . This compound contrasts with the caspase -1 inhibitors and which were designed for systemic exposure." . "Semaphorin 3A is a secreted class 3 semaphorin. It is a ligand for neuropilin 1. SEMA3A has an immunoglobulin-like, C2-type domain, a PSI domain and a Sema domain. This peptide is critical for normal neuronal pattern development. Increased SEMA3A expression is reported on some tumour cells ." . "Samuraciclib (ICEC0942, a.k.a. CT7001) is an orally available, non-covalent, selective inhibitor of cyclin dependent kinase 7 (CDK7) that was developed as a new transcription-targeting approach for potential cancer therapy . It was developed by the same group who identified . The chemical structure is claimed in patent US20160362410A1 ." . "EG01377 is a neuropilin 1 (NRP1) antagonist ." . "Compound 8i is a multi-target receptor tyrosine kinase inhibitor . The chemical structure matches that ascribed to the Exelixis compound XL999 presented by MedKoo, but there is no peer reviewed confirmation of this nomenclature linkage.
Compound 8i does not alter c-MET activity, so its effects can be compared to those of and/or which are c-MET inhibitors, to help assess the contribition that inhibition of the different kinases makes to measured outcomes (e.g. antiproliferative effect)." . "Teneligliptin is a long-acting, orally bioavailable dipeptidyl peptidase 4 (DPP-4) inhibitor . It was developed for clinical potential in type 2 diabetes management, to improve glycemic control. In addition to their anti-diabetic activity, DPP4 inhibitors may have renal and cardiovascular protective effects." . "Tenalisib (RP6530) is an orally active dual PI3K δ/γ inhibitor that is being developed by Rhizen Pharmaceuticals for the potential oral treatment of cancer and inflammation. The chemical structure and its use are claimed in patent US9790224 where it is called Compound A1 ." . "A novel GABAA α5 negative allosteric modulator that enhances hippocampal memory function without an anxiogenic or proconvulsant risk." . "GDC-0623 (RG-7420) is an ATP-uncompetitive MEK1 inhibitor that was developed by Genentech for anti-cancer potential . The structure of GDC-0623 was disclosed for the first time in 'Supplementary Figure 1a' provided with Hatzivassiliou et al. (2013) ." . "Savolitinib is a potent and selective, ATP-competitive mesenchymal-epithelial transition factor (c-Met) inhibitor that was designed for anti-cancer potential . In this discovery report it was called volitinib, but the designated INN is savolitinib. Research codes are HMPL-504 and AZD6094." . "CH4987655 is an orally active allosteric MEK inhibitor that was designed as a novel cancer chemotherapeutic ." . "TAK-733 is a potent and selective MEK inhibitor with an allosteric binding mode, that was designed as a novel cancer chemotherapeutic ." . "Allitinib (AST-1306) is an irreversible inhibitor of the wild-type epidermal growth factor receptor (EGFR) and ErbB2 (HER2) . It also inhibits the mutant EGFRT790M/L858R. Allitinib was designed by Allist Pharmaceuticals to overcome acquired resistance to EGFR inhibitor therapy. It is active in vitro and in vivo.
Allitinib is a 'pseudo' INN, that takes the form of an INN, but has not been submitted to the World Health Organisation for ratification." . "Flumatinib (HH-GV-678) is a selective, orally bioavailable inhibitor of Bcr-Abl that was developed for antineoplastic potential .
The INN 'flumatinib' was surfaced in WHO Proposed list 125 in July 2021." . "TAS05567 is a selective spleen tyrosine kinase (Syk) inhibitor and potential therapeutic candidate for treating humoral immune-mediated inflammatory conditions such as autoimmune and allergic diseases ." . "Ilorasertib (ABT-348) is an ATP-competitive, multi-target kinase inhibitor with activity against the Aurora kinases, the VEGFR, PDGFR and Src family kinases .
ABT-348's potent inhibition of Aurora B induces polyploidy, a hallmark of the essential role of Aurora B in cytokinesis." . "Pamapimod is an ATP-competitive (Type I), orally bioavailable and highly selective inhibitor of p38α mitogen-activated protein kinase (MAPK14), that was developed for immunomodulatory potential ." . "Panulisib (P7170) is a potent small-molecule inhibitor of class I PI3K isoforms, mTOR kinase and activin receptor-like kinase 1 (ALK1) . It was developed for antiangiogenic efficacy as a novel cancer therapy and has shown efficacy in in vitro and in vivo models of human non-small cell lung cancer . The chemical structure is claimed in Piramal Life Sciences' patent WO2012007926 where it is example 96 ." . "Pexmetinib is an orally bioavailable small-molecule inhibitor of p38 MAPK (β isoforms) and Tie2 kinases . It is a type 2 kinase inhibitor that binds both Tie2 and p38 MAP kinases in the %22DFG-out%22 conformation. p38 MAPK is a proinflammatory kinase, Tie2 is an endothelial cell specific receptor tyrosine kinase and is the receptor for . Concomitant inhibition of these kinases is predicted to produce antineoplastic, anti-inflammatory and antiangiogenic effects that would provide a novel anti-cancer therapeutic, in particular for the treatment of myelodysplastic syndromes (MDS) and acute myeloid leukemia (AML)." . "Competitive inhibitor of dopamine uptake, binds to the target site on the dopamine transporter (DAT). Also a potent sigma receptor ligand." . "Selatinib (L-2) is a dual EGFR/HER2 receptor tyrosine kinase inhibitor that was developed for anti-cancer potential . It is an anlogue of and shares the same mechanism of action, but has an improved pharmacokinetic profile, with bioavailability at 187% of that of lapatinib. The tosylate salt form of selatinib is highly soluble. Selatinib is a 'pseudo' INN, that takes the form of an INN, but has not been submitted to the World Health Organisation for ratification." . "Sitravatinib (MGCD516) is an inhibitor of multiple receptor tyrosine kinases (RTKs) that was developed as an antineoplatic agent . It targets several RTKs (e.g. c-Met, PDGFR, c-Kit and IGF1-R) whose overexpression has been shown to drive sarcoma cell growth" . "Tafetinib (SIM010603) is an orally active inhibitor of multiple receptor tyrosine kinases (RTKs) that was developed as an antineoplatic agent . Some of its main targets are KIT, VEGFR, PDGFRβ, RET, and FLT3. It produces anti-angiogenic and anti-tumor effects in vitro and in vivo.
Tafetinib is a 'pseudo' INN, that takes the form of an INN, but has not been submitted to the World Health Organisation for ratification." . "Tucatinib is an orally bioavailable ERBB2 (HER2) receptor tyrosine kinase inhibitor that was developed as a novel antineoplastic agent by Seattle Genetics . The chemical structure is claimed as Example 11 in Array Biopharma patent WO2007059257A2 , and was exemplified as ARRY-380 in the later patent WO2013056183A1 . Tucatinib contains a quinazoline core that is conserved in other tyrosine kinase inhibitors including , , and .
The INN tucatinib replaced the earlier INN irbinitinib that was associated with this chemical entity." . "GSK2833503A is a TRPC3/6 ion channel blocker ." . "Voruciclib (P1446A, or P1446A-05) is an orally active, non-selective CDK inhibitor that was developed for antineoplastic potential. Potent inhibition of CDK9, 4/6 and 1 by voruciclib is considered as a novel pro-apoptotic mechanism applicable to the treatment of malignant melanoma and to overcome resistance to Bcl-2 inhibition (e.g. by ) in B cell malignancies .
Use of voruciclib in combination with BRAF inhibitors for the treatment of malignant melanoma is claimed in patent US20160136132A1 . Preparation of pure (+)-trans enantiomer of the compound shown here, is claimed in patent WO2007148158A1 ." . "Amcasertib (BBI503) is a first-in-class, orally active, cancer stemness kinase inhibitor has been developed by Boston Biomedical for potential anticancer activity . by targeting certain kinase enzymes it is reported to inhibit Nanog (NANOG; Q9H9S0) and other signalling pathways that control stem-cell replication, survival and differentiation. To date (April 2018) the only reports of BBI503 mechanism of action and clinical efficacy are in the form of meeting abstracts, and not in peer reviewed articles. Amcasertib is one of the chemical structures claimed in patent US8299106B2 , which were discussed as potential PDGFRα inhibitors therein." . "Balamapimod (MKI-833) is an orally active, reversible kinase inhibitor that was developed for antineoplastic potential. It has a selectivity profile that includes inhibition of Ras/Raf/MEK/MAPK signalling pathway. The chemical structure is claimed as Example 11 in patent US20090062281A1 ." . "Bentamapimod (a.k.a. PGL-5001 and AS602801) is novel and orally active Jun kinase inhibitor (JNK1= MAPK8 and JNK2= MAPK9). It has shown preclinical efficacy that may be applied to the treatment of endometriotic lesions . It also inhibits cancer stem cells in vitro and in vivo . It was originally developed by Merck Seroneo (JNK-I AS602801) and then in-licensed by PregLem and re-named PGL5001 (PGL5 may also be used)." . "Cenisertib is an Aurora kinase A/B inhibitor that was developed for anti-cancer potential . We show the compound with chirality as specified by the IUPAC name submitted to the WHO for INN registration. It is compound 60a as claimed in patent WO2005118544A2 .
Cenisertib has improved aqueous solubility compared to the dual inhibitor ABT-348 (). Preclinical anti-proliferative efficacy of cenisertib has been demonstrated in a wide range of xenograft models and cell lines ." . "Puquitinib is an orally active, PI3 kinase inhibitor that induces autophagy by inhibiting the PI3K/AKT/mTOR signaling pathway. Puquitinib is selective for p110δ relative to other PI3K class I enzymes. It is a clinical lead developed for antitumour activity .
Puquitinib is a 'pseudo' INN, that takes the form of an INN, but has not been submitted to the World Health Organisation for ratification." . "Xiliertinib (HMPL-309) is an ATP-competitive EGFR tyrosine kinase inhibitor that was developed for anticancer potential .
Theliatinib appears to be a 'pseudo' INN, that uses the -tinib INN stem for tyrosine kinase inhibitors, but was not submitted to the World Health Organisation for ratification." . "Henatinib is a kinase inhibitor with some selectivity for VEGFR2 (KDR). Discovery was reported by Cho et al. (2010), the same article that disclosed . The name henatinib is linked to the structure of 'compound 25' in the article by Gu et al. (2010) that describes a method for detecting and quantifying henatinib maleate in rat plasma .
Henatinib is a 'pseudo' INN, that takes the form of an INN for a kinase inhibitor, but has not been submitted to the World Health Organisation for ratification." . "Compound 7c [PMID: 22041175] is a novel dual NOX4/NOX1 inhibitor that ameliorates bleomycin-induced pulmonary fibrosis, a finding which suggests that targeting the NOX4/1 activity as a potential molecular mechanism for the treatment of idiopathic pulmonary fibrosis ." . "Polygodial is a naturally occurring drimane sesquiterpene family aldehyde compound that is synthesized by plants and animals, often as a noxious natural deterrent. It elicits its pungent/irritant effects via activation of the TRPA1 ion channel " . "Setanaxib (GKT137831) is an investigational dual NOX1/NOX4 inhibitor . It has shown anti-inflammatory activity in models of liver fibrosis and retinopathy ." . "NSC 780521 is an experimental DUOX2-selective inhibitor . It shows anti-proliferative activity against NOX-driven tumour cells. The compound is delivered as a bromide salt in a 1:1 ratio." . "This is one of a series of compounds identified in a medicinal chemistry campaign designed to discover drug-like inhibitors of NADPH oxidase isoform 4 (NOX4) . This compound, 87, is a nanomolar inhibitor of NOX-driven reactive oxygen species (ROS) production in cell free assays. It is orally active, and is suitable for in vivo studies." . "GKT136901 was identified as a lead compound in a high-throughput screening and medicinal chemistry campaign that was designed to identify novel NOX4-selective inhibitors . It is an orally active compound that is suitable for investigating the preclinical potential of NOX4 inhibitors for the treatment of fibrotic diseases and cancers in which NOX4 activity has been implicated." . "DMAMCL (dimethylaminomicheliolide) is a Michael adduct of micheliolide (a natural plant-derived guaianolide sesquiterpene lactone; PubChem CID 442279) . It was originally identified for its ability to inhibit acute myelogenous leukemia (AML) stem and progenitor cells. More recently its mechanism of action has been determined . It induces irreversible tetramerization of PKM2 and acts as a functional activator of PKM2 pyruvate kinase activity. This mechanism is being exploited as a potential anti-cancer therapeutic, with an orally active DMAMCL prodrug (ACT001) in early clinical trial (in Australian trial ACTRN12616000228482) in patients with advanced solid tumours, including glioblastoma multiforme (GBM)." . "Agonist for the succinate receptor." . "Compound 7d is a FLT3 inhibitor . It was identified as a lead compound in a medicinal chemistry study to find novel chemical scaffolds that offer improved FLT3 inhibition, and that provide compounds with potential clinical oncology therapeutic value for FLT3-driven cancers. Similar levels of inhibition of wild type and D835Y-mutated FLT3 enzymes suggests that compound 7d is a Type I (ATP binding site) kinase inhibitor. In comparison to , a single dose of compound 7d produces a longer-lived inhibition of FLT3 and STAT5 phosphorylation in xenograft mice." . "This is a small peptide that mimics the glycosaminoglycan (GAG) binding domain found in the C-terminal α helix of the CXCL8 cytokine . It competes with CXCL8 for binding to GAGs, and by interfering in this interaction, reduces CXCL8-mediated inflammatory responses (leukocyte activation and extravasation to inflammatory sites).
The archetypal GAG-binding motif on CXC chemokines takes the form XBBBXXBX (where B = a basic amino acid and X = any nonbasic amino acid) .
The reference article also describes small peptides that interfere with CCL5 and CXCL12γ GAG binding .
Chemokine interactions with GAGs localise the chemokines around cell surfaces and the extracellular matrix. This provides a guidance mechanism for leukocyte migration . Disrupting this guidance mechanism is predicted to produce anti-inflammatory effects, by reducing the ability of pro-inflammatory cells to migrate to sites of inflammation in response to cytokine signals." . "Dimethyl itaconate is a membrane-permeable derivative of the immunoregulatory metabolite itaconate. Itaconate is one of the most highly induced metabolites produced when activated macrophages undergo metabolic remodeling. Itaconate acts as a major physiological regulator of metabolic switching and effector functions of inflammatory macrophages. Itaconate and dimethyl itaconate inhibit production of IL-6 and IL-12 (secondary transcriptional response), but not TNF (a primary transcriptional response) following Toll-like receptor stimulation .

Itaconate has been found to promote an electrophilic stress response (i.e. a rapid adaptive defense response) . An electrophilic stress response involves various mechanisms, including the nuclear translocation of the redox-sensitive transcription factor Nrf2 (nuclear factor E2-related factor 2), which senses electrophilic and oxidative stresses and protects against cellular damage via Kelch-like ECH-associated protein 1 (Keap1) . Both itaconate and dimethyl itaconate induce Nrf2-dependent and -independent responses, the Nrf2-independent response being that which involves regulation of IκBζ ." . "LW106 is a novel small-molecule IDO1 inhibitor . In xenograft models LW106 dose-dependently inhibited tumour outgrowth more effectively than the existing IDO1 inhibitor , despite epacadostat being a more potent inhibitor in vitro . LW106 promoted tumour infiltration by proliferative Teff cells and reduced recruitment of proliferative Treg cells, endothelial cells and cancer-associated fibroblasts. It also reduced tumour resident cancer stem cell numbers." . "Larixyl acetate is a naturally occurring constituent of larch resin. It has been reported as a potent TRPC6 ion channel inhibitor ." . "AZD0156 is a potent and selective inhibitor of ATM serine/threonine kinase from AstraZeneca that is being developed for anti-cancer potential . It potentiates the efficacy of and in disease relevant mouse models and is currently undergoing clinical evaluation." . "This recent (April 2018) Pfizer BACE1 inhibitor for Alzheimer's disease showed brain penetration, potent in vivo efficacy and broad selectivity over related aspartyl proteases including BACE2 ." . "The authors of this study claim MM-433593 is a oral, potent and selective inhibitor of fatty acid amide hydrolase-1 (FAAH1) with potential for treatment of pain, inflammation, and other disorders ." . "WAY-316606 was originally identified as a small molecule inhibitor of the endogenous Wnt antagonist (a.k.a. SARP2), as a novel anabolic agent for the treatment of osteoporosis or other bone-related disorders . Mechanistically it binds to sFRP-1 and out-competes Wnt binding to sFRP-1, thereby releasing Wnt for binding to the LRP-frizzled receptor complex, an effect that ultimately promotes canonical Wnt signaling and increases anabolic bone formation . Subsequent study has found that WAY-316606 may have potential as a hair re-growth strategy with potential clinical relevance for treatment of human hair loss disorders . WAY-316606 was found to enhance hair shaft production, hair shaft keratin expression, and reduce spontaneous hair follicle regression in ex vivo human scalp explants, via a canonical Wnt/β-catenin-dependent mechanism." . "Ganaplacide is the optimised lead for the imidazolopiperazines (IZPs), a novel class of compounds identified from a phenotypic screen as having antimalarial activity .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Agonist for the succinate receptor." . "Anatumomab mafenatox (ABR-214936) is a fusion protein containing an engineered 5T4 Fab moiety fused via the C terminus of the heavy chain to a mutated form of the Staphylococcal enterotoxin A (SEA) superantigen . SEA is secreted by the pathogen and it stimulates a massive MHC class II-T cell receptor-mediated polyclonal T cell activation, which results in the release of large amounts of cytotoxic and proinflammatory cytokines. Anatumomab mafenatox targets the destructive power of SEA to 5T4-expressing tumour cells. The Asp227Ala mutation is the SEA moiety is designed to reduce MHC class II binding affinity so as to reduce killing of MHC class II positive cells." . "Naptumomab estafenatox (ABR-217620) is an immuno-oncology clinical candidate biologic drug that is being developed by Active Biotech and NeoTX Therapeutics. It is a fusion protein containing a 5T4 (tumor-associated oncofetal trophoblast glycoprotein antigen) Fab moiety fused via the C terminus of the heavy chain to an engineered hybrid of Staphylococcus entertoxins A and E (SEA/E-120) superantigens . Staphylococcal superantigens are secreted by the pathogen and stimulate a massive MHC class II-T cell receptor-mediated polyclonal T cell activation, which results in the release of large amounts of cytotoxic and proinflammatory cytokines and potent T-cell-mediated killing of tumour cells. Naptumomab estafenatox targets the destructive power of SEA/E-120 to 5T4-expressing tumour cells. The SEA/E-120 moiety is engineered to reduce MHC class II binding affinity so as to reduce killing of bystander MHC class II positive cells." . "Naratuximab emtansine (IMGN529) is a CD37- targeting antibody drug conjugate carrying a potent anti-mitotic agent (maytansinoid DM1) payload. This ADC is being investigated for clinical efficacy as a treatment for B cell malignancies, with empahsis on diffuse large B cell lymphoma (DLBCL) in light of preliminary results from the phase 1 clinical trial NCT01534715 ." . "Lilotomab is an investigational murine anti-CD37 monoclonal antibody . A radioimmunoconjugate version that can be loaded with the beta radiation-emitting isotope lutetium-177 (known as 177Lu-lilotomab satetraxetan, and as the trade name Betalutin) is being evaluated as a novel radioimmunotherapeutic for the treatment of non-Hodgkin lymphoma . Satetraxetan is the name of the radionuclide chelator, and this is a derivative known as (p-SCN-Bn)-DOTA (PubChem CID 10123265)." . "ISO-1 is a prototypical inhibitor of the tautomerase activity of (MIF) ." . "Otlertuzumab (TRU-016) is a monospecific, humanized anti-CD37 antibody-like protein that is being investigated as a clinical therapeutic for various form of lymphoma . Otlertuzumab was developed using Aptevo's modular ADAPTIRTM platform." . "Primaquine is a synthetic, 8-aminoquinoline derivative that has potent antimalarial activity.
The approved drug is a racemic mixture and we show the chemical structure without stereochemistry to represent the mixture. The non-isomeric structure is also represented in the PubChem, ChEMBL and ChEBI entries listed in the links table below, while the two enantiomers forming the racemate are represented by PubChem CID 3044368 and PubChem CID 3044369.
The marketed formulations contain primaquine phosphate (PubChem CID 6135).

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Avatrombopag is a second generation, small molecule, orally administered thrombopoietin receptor agonist . It was discovered through its ability to mimic the action of endogenous thrombopoietin which is the primary physiological regulator of normal platelet production. The pharmacokinetics, pharmacodynamics, pharmacogenomics, safety, and tolerability of avatrombopag were reported by Nomoto et al. in 2017 ." . "Artemisinin is a sesquiterpene lactone with an unusual endoperoxide bridge, believed to be responsible for the antimalarial activity of the compound. It is a natural product, isolated from the qinghao or sweet wormwood plant (Artemisia annua) and used in Chinese traditional medicine to treat fever.
Artemisinin is a prodrug that is converted to the active metabolite (dihydroartemisinin).
We show one representation of artemisinin here. As with other natural products, there are alternative chemical structures due to the complex stereochemistry.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "CIM0216 is a synthetic TRPM3 ion channel activator ." . "Artemether is a semisynthetic derivative of , a natural product isolated from the qinghao or sweet wormwood plant (Artemisia annua). Synthesis yields two crystalline anomers, α- and β-artemether, the latter predominates and is marginally more active .
Artemether is a prodrug that is converted to the active metabolite (dihydroartemisinin).

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Artesunate is a semisynthetic derivative of , a natural product isolated from the qinghao or sweet wormwood plant (Artemisia annua). It contains an unusual endoperoxide bridge, believed to be responsible for the antimalarial activity of artemisinin and its derivatives.
Artesunate is a prodrug that is converted to the active metabolite (dihydroartemisinin).

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Artenimol is the active metabolite of and all artemisinin-derived antimalarial compounds.
We show one representation of artenimol here. As with other natural products, there are alternative chemical structures due to the complex stereochemistry.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Artemotil is a semisynthetic derivative of , a natural product isolated from the qinghao or sweet wormwood plant (Artemisia annua). It contains an unusual endoperoxide bridge, believed to be responsible for the antimalarial activity of artemisinin and its derivatives.
Artemotil is a prodrug that is converted to the active metabolite (dihydroartemisinin).

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Cycloguanil is an antifolate compound and a metabolite of the antimalarial drug .
The INN-assigned compound is formulated with ." . "DX-2507 is a fully human anti-FcRn monoclonal antibody that was originally developed by Dyax Corporation, and is being progressed by Shire following their acquisition of Dyax.
A X-ray crystal structure of DX-2507-Fab in complex with FcRn has been published . The Protein Data Bank identifier for the 2.15Å structure of unbound DX-2507-Fab is 5WHJ." . "This compound 3 is a lead chemical scaffold for the further development of lysine demethylase 6B (KDM6B, also known as JMJD3 and Jumonji D3) inhibitors. JMJD3 is an inducible enzyme, that along with ubiquitously transcribed X chromosome tetratricopeptide repeat protein (UTX), forms the KDM6 subfamily of histone modifying enzymes, which catalyze the demethylation of lysine 27 on histone H3 (H3K27). H3K27 demethylases are involved in maintaining the epigenetic transcriptional state in replicating and postmitotic cells. Prior to the discovery of compound 3, and its derivatives were the only selective KDM6 inhibitors to be reported . Compound 3 is suitable for investigating the role of JMJD3 in normal tissues and in tissues that are altered by pathological conditions, such as cancer and inflammation." . "Compound 20f [PMID: 28520415] is reported as a selective inhibitor of PI3Kδ that was specifically designed as an inhalation drug with potential immunomodulatory effects, and which could be effective as a treatment of airway inflammation . It has limited oral bioavailability and systemic exposure, but is retained in lung tissue in vivo following intratracheal delivery." . "Trifarotene (CD5789) is a RARγ-selective agonist that was developed as a topical anti-acne therapeutic ." . "MJN110 is a potent selective inhibitor of MAGL, the enzyme predominantly responsible for the degradation of the endocannabinoid 2-arachidonoylglycerol (2-AG)." . "JNJ-54861911 was originally discovered at Shionogi in 2008 as a BACE1 inhibitor. Clinical development was progressed by Janssen as atabecestat . The compound is orally active with good brain penetration and low P-gp substrate characteristic, which reflects in vivo Aβ reduction in brain and CSF for rat, monkey, and dog. However, serious elevations of liver enzymes were observed in the Phase 2b/3 study patients, causing the trial to be stopped in May 2018. The Phase 1 results were published in Sept 2018 ." . "NIK SMI1 is a selective inhibitor of the NF-κB-inducing kinase, NIK (MAP3K14) . NIK is a kinase that operates downstream of several TNF family receptors, including BAFF (TNFRSF13C), TWEAK (TNFRSF12A), CD40 (TNFRSF5), and OX40 (TNFRSF4), and which mediates non-canonical NF-κB signaling. Inhibition of NIK recapitulates the inhibition of BAFF that is observed for example using the anti-BAFF, SLE approved biologic . The compound has no effect on canonical NF-κB signaling." . "Compound 3a was identified and optimised in a hit-to-lead study to identify inhibitors of the non-canonical NF-κB cascade in tumour cells . 3a inhibits activity of the NF-κB-inducing kinase, NIK (MAP3K14), and is a representative example of a series of compounds with NIK selectivity, the most potent of which was 3e (biochemical IC50 2.9 μM)." . "Squarunkin A is a small molecule inhibitor of the interaction of N-terminally myristoylated Src kinase with the lipid binding chaperone protein UNC119 . Squarunkin A modulates Src kinases using a molecular mechanism that is distinct from classical kinase inhibitors which directly target enzymatic activity." . "Selective GPR55 antagonist." . "High affinity and selective CB1 antagonist" . "Naringenin is a citrus fruit flavanone. It acts as an inhibitor of TRPM3 ion channel activity ." . "SH045 is a TRPC6 channel blocker . It is a synthetic congener of the diterpene natural product (+)‐larixol (PubChem CID 11335788), which is found in the resin of the European larch, Larix decidua. In vitro and ex vivo studies suggest SH045 as a lead compound with clinical potential for the reduction of lung ischemia‐reperfusion edema (LIRE)." . "Lumefantrine belongs to the aryl amino alcohols, a chemical class of antimalarial compounds that includes , and .
Lumefantrine is a racemic mixture, with PubChem listing 9 stereoisotopes.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Compound 11h is a selective BRD4 inhibitor, which has demonstrated anti-tumour potential in vitro . Docking studies show that compound 11h's mode of interaction is similar to that of , in that both inhibitors act as acetyllysine mimics and occupy the hydrophobic acetyllysine-binding pocket in BRD4. Compound 11h exhibits modestly improved anti-proliferative activity against leukemia cells in vitro compared to ." . "Artefenomel is a synthetic ozonide (synthetic peroxide), a class of compound that retains the endoperoxide bridge of the class of antimalarials but also contains the sterically bulky amantadine ring, which increases blood plasma stability .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Compound 17l is a liver X receptor antagonist ." . "Ferroquine is a 4-aminoquinoline antimalarial compound with a novel ferrocenic group in its side chain.
The ferrocenic group causes rendering problems, with different images of the chemical structure found across web resources. We show the structure provided by NIH US National Library of Medicine (InChIKey IRJOHJGUSPNBRI-UHFFFAOYSA-N). PubChem provide a different InChIKey DLYPREQTTOHKSM-UHFFFAOYSA-N with two structural representations PubChem CID 56841801 (link in table below) and PubChem CID 76419023.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Compound 27 is a lead ERK1/2 inhibitor that was identified using biophysical fragment screening and structure-based optimization . It was found to be potent, selective and orally bioavailable. Compound 27 inhibits both the catalytic kinase (phosphorylating) activity of ERK1/2, and the phosphorylation of ERK1/2. It is an alternative chemotype to , but it retains the dual activity profile that was originally identified in SCH772984. Compound 27 has improved in vivo exposure compared to SCH772984.
(Note: ERK1= MAPK3, ERK2= MAPK1)." . "MK-8353 (formerly know as SCH900353) is an orally bioavailable dual mechanism ERK1/2 inhibitor, i.e. it inhibits ERK1/2 catalytic activity and phosphorylation of ERK1/2 . It has improved pharmacokinetic properties in comparison to (a preclinical ERK1/2 inhibtor tool compound) and has shown preliminary anti-tumour efficacy in patients with BRAF or RAS mutated metastatic melanoma and colorectal cancers.
(Note: ERK1= MAPK3, ERK2= MAPK1)." . "LY3214996 is an ERK1/2 inhibitor that is in early stage clinical development for the potential treatment of advanced non-hematological tumours, in particular for malignancies carrying activating MAPK pathway alterations, and which are refractory to RAF and MEK inhibitors.
(Note: ERK1= MAPK3, ERK2= MAPK1). The chemical structure of LY3214996 matches that for the INN compound temuterkib that was surfaced in WHO Proposed list 125 in July 2021." . "KO-947 is an ERK1/2 inhibitor that is in early stage clinical development as a potential treatment for advanced solid tumours with RAS/MAPK pathway mutations.
(Note: ERK1= MAPK3, ERK2= MAPK1)" . "TAK-580 (MLN2480) is an investigational pan-RAF kinase inhibitor that was developed for anti-tumour potential against solid tumours, including gliomas, and common adult RAF mutant tumours (harbouring BRAF and CRAF fusions and mutations) that metastasise to the brain. It has been optimised for CNS penetration . The chemical structure is claimed as example 10Da in patent US20090036419A1 . Day One Biopharmaceuticals licensed this inhibitor from Sunesis Pharma in 2019, at which point it was re-named DAY101. The chemical structure of TAK-580 is identical to that which was submitted to the WHO for the INN tovorafenib (proposed INN list 126, Jan 2022)." . "ONC201 (also known as TIC10 ) is an orally active, investigational dual Akt/ERK inhibitor , that exerts potent anti-tumour effects that are mediated via induction of the endogenous tumour suppressor (or death ligand) and its receptor DR5 (death receptor 5; TNFRSF10B).
Note that although and are published by the same research group, both articles show different isomers of the chemical structure. We show the structure from their 2016 paper, which introduces ONC201 as the first-in-class imipridone anti-cancer compound . PubChem CID 336423 represents the alternative isomer as depicted in the 2013 paper ." . "PF-04634817 is an oral dual CCR2/5 antagonist that was investigated for anti-inflammatory potential. The chemical structure of PF-04634817 is claimed (as example 13) in patent US8293903B2 ." . "PF‐06526290 can exhibit both enhancement and inhibition of Nav channel function." . "Macrophage migration inhibitory factor (MIF) is an immunoregulatory mediator that has been reported in the literature as a cytokine , enzyme , hormone , chemokine , molecular chaperone , and molecular redox switch , although the relevance of some of these functions to human biology remains to be fully ascertained. What is undisputed is that MIF is a crucial upstream regulator of a number of cellular processes that when dysregulated can be pathogenic in a variety of inflammatory conditions such as sepsis, rheumatoid arthritis, inflammatory bowel disease, and multiple sclerosis. It exhibits diverse immunological and neuroendocrine activities, and has been implicated in infectious and autoimmune diseases , and it contributes to cancer via its inflammatory, chemotactic, and proliferative actions .
Structurally MIF is believed to exist predominantly as a homotrimer , although the discovery that a small MIF peptide fragment can mimic some of the biological activity of the full-length protein suggests that a functional role for the monomer cannot be ruled out. MIF's active tautomerase site forms at the interface of monomer subunits in the trimer , and this catalytic site was the first to be targeted for inhibitor design.
MIF is reported to act as an endogenous counter-regulator of the anti-inflammatory effects of glucocorticoids. In relation to this action, MIF inhibitors are reported to produce additive effects with glucocorticoids. This synergism has been reported between the low potency MIF inhibitor and glucocorticoids in vivo, as an observed attenuation of experimental autoimmune encephalitis, a model of multiple sclerosis ." . "This Amgen aminooxazoline xanthene BACE1 inhibitor was selected as one of the most potent leads ever reported (up to June 2018). It has a sub-nanomolar IC50 ." . "Orita-13 is a prototypical inhibitor of the tautomerase activity of (MIF) ." . "Compound 3bb is the most potent inhibitor of (MIF) tautomerase activity identified from a SAR series by Dziedzic et al. (2015) . It is referred to as quinoline 20 in ." . "Fluorescent MIF ligand B is reported in Cisneros et al. (2016) . It is a (MIF) inhibitor tethered to fluorescein to generate a probe suitable for fluorescence polarization assay determination of dissociation constant (Kd) of MIF inhibitors as an alternative to the Ki or IC50 values that are obtained from tautomerization assays." . "Compound 16d is a second generation, nanomolar inhibitor of dual leucine zipper kinase (DLK) . It is claimed in example 19 in Cephalon's patent US8084472 ." . "Compound 11 is a potent, selective, and brain penetrant inhibitor of dual leucine zipper kinase (DLK, MAP3K12) . DLK inhibitors are being investigated for neuroprotective potential." . "Isosakuranetin is a citrus fruit flavanone. It acts as an inhibitor of TRPM3 ion channel activity ." . "Abrocitinib (PF-04965842) is a JAK inhibitor . X-ray crystal structures of PF-04965842 bound to both JAK1 and JAK2 have been deposited with the Protein DataBank (accession IDs 6BBU and 6BBV respectively). We used the SMILES string supplied with the article in which the structure was declared to generate our representation of the chemical structure. The IUPAC name in abrocitinib's INN record resolves to the same StdInChIKey as our structure. PubChem CID 78323835 represents the structure without specified stereochemistry.
The JAKs are immunokinases that are molecular targets of therapeutics which are used in the treatment of immune-mediated diseases." . "Compound 29 binds to the JH2 pseudokinase domain of the Janus kinase family enzyme, TYK2 .
Various cytokines and their receptors mediate intracellular signalling through pairs of Janus kinase family enzymes. TYK2 dimerises with JAK2 to mediate IL-12 and IL-23 signalling (both are p40 subunit containing cytokines), and with JAK1 for the IFNα/β pathway. Both of these TYK2-dependent pathways are validated as druggable targets for the development of pharmaceuticals for the treatment of autoimmune diseases. Displacement of the ATP that binds to the JH2 pseudokinase domain allosterically disrupts TYK2 catalytic activity, in a mechanism that appears to stablise the kinase in an auto-inhibitory conformation. Expolting this domain is being investigated with the aim of identifying inhibitors with improved selectivity compared to traditional orthosteric JH1 domain ATP-competitive inhibitors." . "Rilzabrutinib (PRN1008) is an oral, reversible covalent inhibitor of Bruton's tyrosine kinase (BTK) . The chemical structure of PRN1008 has not been formally disclosed, and there is some uncertainty of its precise stereochemistry evident in online resources. One possible structure is claimed as Example 31 in Principia Biopharma patent WO2014039899 and this is depicted in PubChem CID 118325989 as the R form without E/Z specification. We show the (E,R) structure here." . "BMS-509744 is an inhibitor of the Tec family tyrosine kinase, interleukin-2-inducible T cell kinase (ITK) . ITK inhibitors are being investigated for potential immunosuppressive and/or anti-inflammatory activities." . "This compound was designed as a dual inhibitor of the BET family protein BRD4 and polo like kinase 1 (PLK1) to investigate the potential of synergistic inhibition of these two proteins as an anti-cancer therapy . Compound 23 is an equipotent inhibitor of BRD4-BD1 and PLK1 that will facilitate exploration of this polypharmacological approach as a cancer treatment." . "GNE-4997 is a tetrahydroindazole-containing inhibitor of the Tec family tyrosine kinase, interleukin-2-inducible tyrosine kinase (ITK) . ITK is involved in T cell development, differentiation, and effector function, and acts downstream of the T cell receptor (TCR) to mediate phospholipase γ-1 (PLCγ1) phosphorylation and subsequent Ca2+ mobilization." . "Elobixibat is an orally available inhibitor of the ileal bile acid transporter (IBAT or ASBT), which is the protein product of the SLC10A2 gene. It is being evaluated for clinical utility in the management of chronic constipation . The chemical structure is claimed as Example 14 in Albireo Ab's patent US20130225511A1 (we have chosen this iteration of the patent as it has both chemical structure images and data included in online versions)." . "Compound 15 is an orally available PI3K inhibitor with selectivity for the PI3Kγ isoform . This is a new isoindolinone chemotype that has not previously been used for the design of PI3K inhibitors." . "MRS4458 is a P2Y14 receptor antagonist ." . "MRS4478 is a P2Y14 receptor antagonist ." . "PF-05105679 is a selective inhibitor of TRPM8 ion channel activity ." . "Gusacitinib (ASN002) is an orally bioavailable dual spleen tyrosine kinase (SYK)/pan Janus kinase (JAK) inhibitor that is being developed by Asana BioSciences. It is being evaluated for clinical efficacy in inflammatory and oncology settings. Not to be confused with Ascend Biopharmaceuticals immuno-oncology lead ASN-002, which is an engineered virus that expresses IFN-γ.
Gusacitinib is one of the chemical structures (example 189) claimed in Asana Biosciences' patent WO2013028818A1 ." . "Compound 52 is reported as a potent and selective PI3Kδ inhibitor ." . "Triple modulator 10 has been developed as an anti-inflammatory agent with intentionally designed-in polypharamcology . Structurally it is a derivative of the cysteinyl-leukotriene receptor antagonist, anti-asthma drug and its exploits off-target effects of this drug. Triple modulator 10 is a cysteinyl leukotriene receptor 1 (CysLT1R) antagonist, a peroxisome proliferator-activated receptor γ (PPARγ) agonist and a soluble epoxide hydrolase (sEH) inhibitor." . "GNE-131 is a potent and selective hNaV1.7 inhibitor that was designed for the treatment of pain . Site-directed mutagenesis experiments show that GNE-131 binds within the anion binding pocket of the channel (around reside R1608)." . "Compound 6 was discovered as part of the same structure-guided design campaign as , but in contrast is selective for polo like kinase 1 (PLK1) over BRD4-BD1 . Dual BRD4/PLK1 inhibitor 23 and compound 6 will allow dissection of the contributions made by inhibition of each target to the desired anti-cancer potential of this polypharmacology approach." . "KX2-361 is a small molecule with a dual mode of action. It is a Src kinase inhibitor and an inhibitor of tubulin polymerization . It is being investigated for antiproliferative potential. It is closely related to , and like KX2-391 is a peptide substrate site binder rather than a competitive ATP binding site inhibitor. KX2-361 is orally bioavailable and shows a significant level of brain tissue exposure following oral administration." . "Compound 17 is a novel analogue of the anti-inflammatory inhalation corticosteroid . It was designed to have improved potency, increased lung retention, and a longer duration of action than budesonide." . "Selective ABCG2 inhibitor." . "Potent and selective ABCG2 inhibitor." . "Inhibitor of ABCG2-mediated multidrug resistance." . "Positive allosteric modulator at mGlu1." . "Vericiguat is a novel oral soluble guanylate cyclase (sGC) stimulator . It was initially developed for potential to reduce mortality and morbidity associated with chronic heart failure with reduced ejection fraction." . "Guanylyl cyclase C (GC-C) agonist." . "Cannabidiol-dimethylheptyl (-)-CBD-DMH ((-)-5'-CBD-DMH) is a synthetic homologue of . Structurally the pentyl chain of cannabidiol has been replaced by a dimethylheptyl chain, and it retains the same stereochemistry as natural cannabidiol. Like cannabidiol (-)-5'-DMH-CBD is not psychotropic, has anticonvulsant activity, and is not a CB1 receptor agonist ." . "AbGn-168H (neihulizumab) is a first-in-class, humanised anti-P-selectin glycoprotein 1 (PSGL-1) monoclonal antibody that is being developed by AbGenomics . AbGn-168H targets the PSGL-1/P-selectin pathway that is involved in leukocyte recruitment to inflammatory sites. It blocks PSGL-1 expressed by activated T cells or NK cells, and inhibits their interaction with P-selectin on endothelial cells of the vasculature. AbGn-168H binds to a different epitope on P-selectin compared to the endogenous ligand PSGL-1 so it is not expected to interfere with the P-selectin-dependent recruitment of leukocytes that is essential for innate immunity. Nor does it alter aggregation of human platelets which express low levels of PSGL-1 .
Patent analysis identifies SEQ ID: 25 from AbGenomics' 2009 patent US7604800 as the likely light chain variable region of AbGn-168H (DIQMTQSPSLSASVGDRVTITCRSSQSIVHNDGNTYFEWYQQKPGKAPKLLIYKVSNRFSGVPSRFSGSGSGTHFTLTISSLQPEDFATYYCFQGSYVPLTFGQGTKVEIK) and SEQ ID: 26 that is claimed in the same patent (EVQLVESGGGLVQPGGSLRLSCAASGFTFSTYAMSWVRQAPGKGLEWVASISTGGSTYYPDSVKGRFTISRDNAKNTLYLQMNSLRAEDTAVYYCARDYDGYFDYWGQGTLVTVSS) is the likely heavy chain. AbGn-168H was humanised from a murine anti-PSGL-1 antibody referred to as 15A7 ." . "P-selectin glycoprotein ligand 1 (PSLG-1) is a single transmembrane proteoglycan that is expressed on leukocyte membranes. It interacts with E-, P- and L-selectins on endothelial cell surfaces.
We provide the amino acid sequence for the mature form of the ligand (amino acids 42-412), without its signal and propeptide sequences." . "Supratinib is an amphiphilic molecular analogue of the MEK inhibitor . Structurally it is selumetinib linked to a cholesterol-based tether that ficilitates its assembly into a stable supramolecular lipid bilayer nanoparticle. Supratinib was designed to form lipid nanoparticles which would deliver improved MEK-driven anti-cancer activity compared to the parent molecule. It is predicted that such a supramolecular therapeutic could be designed to include immune check point T cell activating biologics (e.g. anti-PD-1 or anti-PD-L1 monoclonal antibodies) which could ultimately be used to enhance cancer immunotherapy.
This same strategy of derivatizing a kinase inhibitor with a cholesterol anchor (in this case creating an analogue of the CSF1R inhibitor ) and assembling it in a supramolecular structure with a macrophage-targeting anti-SIRPα mAb (which blocks the SIRPα/CD47 anti-phagocytic signal that is exploited by some cancer cells to avoid immune destruction) has been reported to enhance phagocytosis and removal of melanoma cancer cells by tumour associated macrophages in vitro and in vivo ." . "Compound 55 is the drug-like lead discovered as a result of a SAR investigation and is a 2,8-Disubstituted-1,5-naphthyridine derivative of .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "MMV024101 is one of the compounds with antimalarial activity from the Medicines for Malaria Venture (MMV) Pathogen Box.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Amodiaquine is a 4-aminoquinoline antimalarial compound related to .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Halofantrine is a phenanthrene containing compound and belongs to the aryl amino alcohols, a chemical class of antimalarial drugs that includes , and .
The INN record specifies that halofantrine is a racemic mixture of stereoisomers. We show the structure without specified stereochemistry to represent the mixture.
The marketed formulation contains halofantrine hydrochloride (PubChem CID 37392).

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "DSM421 was being developed as a backup compound to , the clinical lead for the triazolopyrimidine structural class of antimalarial compounds, but it has not been progressed due to unpredicted off-target toxicity .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Acalisib (GS9820) is a PI3Kδ inhibitor that is being investigated for anti-neoplastic and immunomodulatory potential." . "ELQ-300 is a late lead candidate from a novel class of 4(1H)-quinolone-based compounds with potent antimalarial activity . The ELQs (endochin-like quinolones) are structural derivatives of endochin (PubChem CID 100474), which has potent antiplasmodial activity, but is highly metabolically unstable in mammals .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "ACT-451840 is an investigational antimalarial drug, selected from a new class of compounds identified from a phenotypic screen . Chemically it is a piperazine-containing compound.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "LRE1 is a selective allosteric inhibitor of soluble adenylyl cyclase (sAC) ." . "MMV253 is the clinical lead for the triaminopyrimidines (TAPs), a novel class of antimalarial compounds identified from a phenotypic screen .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Piperaquine is a 4-aminoquinoline antimalarial compound.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "VCE-004.3 is a semi-synthetic cannabidiol quinone derivative . It acts as a dual PPARγ/CB2 receptor agonist and CB1 receptor modulator. The structure is claimed in patent WO2015158381 . VCE-004.3 is functional (promotes transactivation) on PPARγ via a binding site that is distinct from the canonical binding site on this nuclear receptor." . "RTI-13951-33 is a potent and selective GPR88 agonist that is suitable for in vivo investigations . It is a derivative of . No significant off-target activity of RTI-13951-33 across a range of 38 GPCRs, ion channels, and neurotransmitter transporters has been detected ." . "Lusutrombopag is an orally bioavailable, nonpeptidyl, small molecule thrombopoietin (TPO) receptor agonist that was developed by Shionogi in Japan. It was the second TPO receptor agonist to receive FDA approval in 2018 ( was the first)." . "Pralsetinib (BLU-667) is a second-generation selective RET kinase inhibitor that is being developed by Blueprint Medicines . It is Compound 130 in patent US20170121312A1 and our structure was drawn from the image therein . Selective RET inhibitors have oncology potential for the treatment of solid tumours with oncogenic RET alterations (e.g. constitutively activating RET point mutations and RET gene rearrangements). They are expected to offer more effective anti-tumour efficacy in RET-driven tumours than the currently available multi-kinase inhibitors (such as and ) that have limited anti-RET activity, and which have exhibited poor therapeutic responses in this defined patient group." . "IMB-808 is a liver X receptor partial agonist that shows anti-atherosclerotic potential . It exhibits dual LXRα/β agonism but is devoid of the common lipogenic side effects of LXR full agonists ." . "Selinexor (KPT-330) is an inhibitor of the nuclear export protein XPO1 (a.k.a. exportin 1) that is being developed as an anti-neoplastic agent by Karyopharm Therapeutics. It is a first-in-class inhibitor that exploits a novel mechanism of action compared to existing chemotherapeutics . The chemical structure is claimed in patent WO2013019561A1 (as compound 70) ." . "Eltanexor (KPT-8602) is a second-generation, orally bioavailable, selective inhibitor of the nuclear export protein XPO1, that works in the same way as its first-in-class relation . In comparison to selinexor, eltanexor exhibits much lower brain penetration, and this appears to reduce the central nervous system-mediated side effects of anorexia and weight loss detected with selinexor therapy . Eltanexor is being investigated for therapeutic antineoplastic potential ." . "Compound 5 is reported as a selective inhibitor of the calcium-activated non-selective cation channel TRPM4 . It will facilitate experiments to better understand the role of TRPM4 function in human diseases, and help provide clues for clinical lead development." . "Compound 6 is reported as a selective inhibitor of the calcium-activated non-selective cation channel TRPM4 . To date (August 2018) this is the first report of a selective sub‐micromolar TRPM4 inhibitor. It will facilitate experiments to better understand the role of TRPM4 function in human diseases, and help provide clues for clinical lead development." . "Carfentanil is an analogue of the synthetic opioid analgesic , but it is ~100 times more potent." . "Jedi2 is reported as an activator of the mechanosensitive Piezo1 ion channel ." . "Inhibitor 1 inhibits the ORAI1 protein component of the CRAC channel . The chemical structure represents a novel ORAI1-specific chemotype that is suitable for the development of more refined CRAC channel inhibitors." . "CRAC channel inhibitor 5b is a selective ORAI1 inhibitor that was identified through SAR of ." . "Setogepram (PBI-4050) is an orally active, synthetic analogue of a medium-chain fatty acid that displays agonist and antagonist ligand affinity toward GPR40 and GPR84, respectively . it is a potentially novel first-in-class compound with significant antifibrotic and antiinflammatory activities that was being developed by Liminal BioSciences (formerly Prometic Life Sciences)." . "Abivertinib (AC0010) is an orally active, irreversible EGFR inhibitor (third generation) that selectively targets mutated EGFRs, and which was designed to overcome T790M-induced resistance in tumours . It also inhibits BTK, thus offering extended clinical utility . We show the structure for the free base form of the compound. The maleate salt formulation is known as STI-5656." . "Cintirorgon (LYC-55716) is a first-in-class, oral, selective RORγ agonist that is being developed by Lycera as a novel immuno-oncology agent. It is one of the chemical structures claimed in Lycera's patent WO2016201225A1 ." . "Indolo(3,2-b)carbazole is a potent agonist of the aryl hydrocarbon receptor (AhR) . It is a metabolite of indole-3-carbinol (I3C) whihc is found in Brassica family vegetables, and which is formed in the acid pH of the stomach." . "Indole-3-carbinol (I3C) is a secondary plant metabolite produced in Brassica family vegetables. It has been reported as an aryl hydrocarbon receptor agonist, although its affinity is very low and it therefore may not be a significant agonist of the AhR in vivo . Anticarcinogenic and antitumourigenic properties of I3C have been reported in various types of cancer cells ." . "ERW1041E is a transglutaminase inhibitor . We drew the structure as depicted in Chrobok et al. (2018) , with the indicated stereochemistry (but note that the IUPAC they provide is for the flat structure that is represented by PubChem CID 11619556)." . "R283 is an active site-directed inhibitor of intracellular transglutaminase activity." . "Vm24 is a 36 amino acid peptide toxin that was isolated from the venom of the Mexican scorpion Vaejovis mexicanus smithi, and which was subsequently produced by chemical synthesis . It acts as a selective blocker of the Kv1.3 potassium channel. Vm24 can be used to study the biological processes that are modulated by Kv1.3 blockade and to help identify the pathways that are key to Kv1.3's participation in normal and pathological states." . "ML2-SA1 is a selective agonist of TRPML2-mediated ion currents ." . "Aminopyridine 2 is a mechanism based myeloperoxidase (MPO) inhibitor . It is an irreversible inhibitor. Aminopyridine 2 is orally bioavailable and offers a pharmacological tool that is suitable for evaluating the importance of MPO in preclinical models of chronic inflammatory diseases." . "Verdiperstat is a thiouracil-based, irreversible mechanism-based, investigational myeloperoxidase (MPO) inhibitor . It was designed to delay progression in patients with neurodegenerative brain disorders." . "PF-06282999 is a thiouracil-based, irreversible mechanism-based, investigational myeloperoxidase (MPO) inhibitor that was advanced as a clinical candidate, primarily as a novel treatment for cardiovascular diseases ." . "Compound 15w is a selective, orally active inhibitor of human sphingomyelin synthase 2 (SMS2) ." . "CG200745 is a pan-histone deacetylase inhibitor that is being developed by Crystal Genomics . It is being explored for anti-tumourigenic and anti-fibrotic potential ." . "Dapansutrile (OLT1177) acts as a NLRP3 inflammasome inhibitor. It is a clinical candidate that is being developed by Olatec Therapeutics. Inhibition of the NLRP3 inflammasome reduces maturation of the pro-inflammatory, disease-associated cytokines IL-1β and IL-18 . Immunoprecipitation and FRET analysis indicates that OLT1177 inhibits inflammasome oligomerization by blocking NLRP3-ASC, and NLRP3-caspase-1 interaction, but may also directly target NLRP3 (as assessed by inhibition of recombinant NLRP3 ATPase activity by dapansutrile) .

SARS-CoV-2 and COVID-19: Dapansutrile's anti-inflammatory potential (via oral administration) is being investigated in COVID-19 patients with moderate symptoms." . "CY-09 is a direct inhibitor of NLRP3 . The compound binds to the ATP-binding motif of NLRP3 and blocks its ATPase activity. As a result NLRP3 inflammasome assembly is suppressed resulting in an anti-inflammatory effect." . "Olorinab (APD371) is a cannabinoid CB2 receptor agonist that was developed by Arena Pharmaceuticals as a potential treatment for chronic pain . In vitro, APD371 is as efficacious as the CB2 receptor full agonist (as determined by measuring and comparing Emax values), and has limited tachyphylaxis liability (i.e. it does cause agonist-induced desensitization by disrupting recycling of internalized agonist-activated receptors back to the plasma membrane) ." . "Miricorilant (CORT118335) is a potent, orally active non-steroidal glucocorticoid receptor (GR) antagonist that is being developed by Corcept Therapeutics . Selective GR antagonists are being investigated for their potential to mitigate antipsychotic-induced weight gain, a beneficial activity that was first identified using the dual GR/progesterone receptor antagonist .
Hunt et al. (2010) specify CORT118335 with the InChIKey GVVUZBSCYAVFTI-IYARVYRRSA-N and as the trans isomer (or the (1r,4r) isomer) , which corresponds to the chemical structure submitted to the WHO for the INN miricorilant. Note that PubChem lists this compound in the form without any specified stereochemistry, with PubChem CID 66550324, and that ChEMBL record the cis (or (1s,4s)) isomer as CHEMBL2204043 (InChIKey GVVUZBSCYAVFTI-HDICACEKNA-N)." . "Ac-SDKP is a synthetic tetrapeptide and a substrate for ACE, and a negative regulator of haematopoietic stem cell differentiation and is a potent antifibrotic agent. It is involved in angiogenesis and regulation of the immune response by blocking the proliferation of lymphocytes." . "Azelaprag (AMG 986) is an apelin receptor agonist that is claimed in Amgen's patent WO2016187308A1 (as example 263) . The chemical structure is identical to that submitted to the WHO for the INN azelaprag. Apelin receptor agonists are being pursued for their clinical inotropic potential in the treatment of heart failure." . "ABX-1431 is a potent, orally available, and selective covalent (irreversible) inhibitor of monoacylglycerol lipase (MGLL) . It is one of the chemical structures that are claimed in patent WO2013103973A1 . MGLL inhibition increases the level of the endogenous cannabinoid receptor agonist 2-arachidonoylglycerol (2-AG) and CB1 receptor signalling in the central nervous system, and reduces arachidonic acid and eicosanoid levels to better regulate neurotransmission. Modulation of these neurotransmitter molecules induces antinociceptive, anxiolytic, and antineuroinflammatory effects, but is devoid of the psychoactive effects that would be produced by direct cannabinoid receptor activation. Target engagement by ABX-1431 in the brain has been confirmed in a PET occupancy study ." . "This compound is a novel and selective cyclin-dependent kinase 12 (CDK12) and CDK13 inhibitor . It is a chemical probe that is suitable for functional studies of CDK12, and a scaffold for further drug discovery efforts. CDK12 is an oncology drug target as its inhibition sensitises cancer cells to DNA-damaging reagents and DNA-repair inhibitors. The chemical structure was generated from the SMILES string supplied with the original J Med Chem article by Ito et al. (2018) ." . "Inhibitor 27a is a selective and competitive glycine transporter 1 (GlyT1) inhibitor that is being examined for anti-schizophrenia potential . The chemical structure was obtained using the SMILES string that was supplied in the original J Med Chem article by Amberg et al. (2018) , and it is one of the examples claimed in patent WO2010092180 . GlyT1 inhibition up-regulates the hypofunctional NMDA-mediated neurotransmission that underlies schizophrenic symptoms." . "Isoquinoline 17 binds to KEAP1 and acts as a functional Nrf2 activator . By inhibiting the KEAP1-Nrf2 protein-protein interaction it increases the quantity of Nrf2 protein that is available to transclocate to the nucleus and transactivate transcription of Nrf2-responsive genes in vitro. Nrf2 activators that exploit this mechanism are considered to be promising leads for the development of a novel class of antioxidant, antiinflammatory, and anticancer agents ." . "Inhibitor 51b is a selective and competitive glycine transporter 1 (GlyT1) inhibitor that is being examined for anti-schizophrenia potential . The chemical structure was obtained using the SMILES string that was supplied in the original J Med Chem article by Amberg et al. (2018) . GlyT1 inhibition up-regulates the hypofunctional NMDA-mediated neurotransmission that underlies schizophrenic symptoms. Inhibitor 51b was a further optimisation of , with an improved efflux ratio compared to 27a (i.e. it has a reduced level of interaction with the efflux transporter P-glycoprotein)." . "This is a DAG-indololactone class compound that was developed as an activator of RAS guanyl releasing proteins (RasGRP) that can discriminate between RasGRPs and protein kinase C (PKC) isoforms ." . "AFM13 is a tetravalent bispecific anti-CD30/CD16A tandem diabody that is constructed solely from Fv domains . It is being developed by Affimed as a novel NK cell-engaging immuno-oncology therapeutic for the treatment of CD30-expressing malignancies. AFM13 simultaneously binds CD30 on Hodgkin's lymphoma cells and CD16A (FcγRIIIA) on NK cells, and acts to selectively recruit NK cells immune effector cells to destroy the cancer cells. AFM's mechanism of action differs from that of the anti-CD30 antibody-drug conjugate , and it was found to be active in brentuximab vedotin-refractory patients in Phase 1 trial ." . "A-769662 is a small molecule activator of AMP-activated protein kinase (AMPK). Its chemical structure was originally disclosed by Cool et al. (2006) , in which it was used to demonstrate that AMPK activation is a feasible approach for the treatment of the metabolic syndrome and type 2 diabetes. A-769662 activates AMPK both allosterically (as evidenced by its ability to activate a mutant AMPK γ subunit that is resistant to endogenous AMP-induced activation) and by inhibiting dephosphorylation of AMPK on Thr172 . A-769662 is suitable as as experimental tool to understand the physiological roles of AMPK in vitro and in vivo. Use of A-769662 has also confirmed AMPK's role as an autophagy target, whose activation is able to ameliorate neurodegeneration in animal models . AMPK activation induces autophagy in an mTOR-independent manner, so limits the risk of the potentially detrimental effects that mTOR inhibition may have on important cellular pathways in addition to autophagy." . "Endothelin receptor antagonist and a pharmacologically active metabolite of macitentan." . "This compound was developed using structure-based optimization, as an antidote for acetylcholinesterase (AChE) inhibition by organophosphorus nerve agents . The mechanism of enzyme reactivation depends on antidote-induced displacement of the phosphyl group from AChE's active-site serine. The main goal of the optimization campaign was to design an AChE reactivator with improved efficacy and brain penetrance compared to existing antidotes. In in vitro AChE reactivation assays, reactivator 2 outperformed the reference reactivators 2-PAM, HI-6, and obidoxime for AChE inhibited by various organophosphate nerve agents (VX, a sarin surrogate, tabun and ethyl papaoxon). Kinetic measurements and structural studies have confirmed the potential efficacy of reactivator 2 but it has not yet been evaluated in vivo." . "LIT-927 is a small molecule that binds to and neutralises the chemokine CXCL12 . It has been termed a 'neutraligand'. LIT-927 was developed as an alternative strategy to inhibitors for CXCL12's cognate receptors CXCR4 or CXCR7, as a potential anti-inflammatory agent." . "This compound is reported as an irreversible, covalent inhibitor of Bruton's tyrosine kinase (BTK) . It is compound 23 (example 90) as claimed in Merck's patent US20160264548A1 .
Because of its expression pattern on B cells, macrophages, neutrophils, and monocytes (NOT T cells) and its essential role in B lymphocyte development and function, BTK continues to be investigated as a valid therapeutic target for the treatment of diseases that involve B-cell and/or macrophage activation (e.g. B-cell malignancies, asthma and rheumatoid arthritis). was the first-in-class small molecule BTK inhibitor to reach the clinic. Unfortunately, ibrutinib causes severe adverse effects that are in the main, attributed to its off-target profile. As a result, second-generation BTK inhibitors with optimised structures and improved selectivity are being developed. Inhibitor 16 described here, exhibits comparable cellular potency to ibrutinib but has a higher kinome selectivity against undesirable off-targets." . "Tadekinig alfa is recombinant IL-18-binding protein in its mature form without the 30 amino acid signal peptide of the precursor protein (NP_001034748). It is being developed by AB2Bio." . "Dooku 1 blocks -induced activation of Piezo1 ion channels . It has no effect on constitutive Piezo1 activity." . "This compound is reported as an orally active, inverse agonist of the nuclear hormone receptor RORγt (RORC2) . RORγt is a drug target that is being expoited for the treatment of autoimmune conditions, as its inhibition reduces production of pro-inflammatory IL-17. The chemical structure is claimed as Example 5 in Pfizer's patent WO2016046755A1 ." . "Compound 2m is reported as a competitive inhibitor of the 5-lipoxygenase (5-LOX) enzyme. It was developed for anti-inflammatory potential . 2m was the most active inhibtor identified from the thiazole series in this pharmacophore modeling study. The thiazole series of compounds was designed with the aim of reducing the hepatotoxicity that is associated with N-hydroxyurea class 5-LOX inhibitors such as , atreleuton (ABT-761; PubChem CID 3086671) and MLN-977 (PubChem CID 9905233) . 2m is devoid of radical scavenging activity." . "Diflapolin is reported as the first dual inhibitor of and soluble epoxide hydrolase . Whilst 5-LOX activating protein facilitates 5-LOX-mediated conversion of arachidonic acid to pro-inflammatory leukotrienes, soluble epoxide hydrolase (sEH) degrades anti-inflammatory epoxyeicosatrienoic acids (EETs). Dual inhibition might therefore offer increased efficacy as an anti-inflammatory intervention compared to single target agents." . "This compound is reported by Compain et al. (2018) as the protein kinase inhibitor component of a β-glucuronidase-responsive albumin-binding prodrug that was designed as a novel cancer therapeutic . The biological activity of inhibitor 2 is blocked when it is incoprorated in the enzyme-responsive prodrug. The active inhibitor is released only in the presence of β-glucuronidase (e.g. as exists in the tumour microenvironment), so should faciliate selective delivery of the drug to the tumour whilst minimising systemic off-target and adverse effects. Compound 2 is a multi-kinase inhibitor with a similar selectivity profile as , but with additional potent inhibitory activity at DYRK3 and GSK3." . "Orally available, selective GPR119 agonist, upregulates glucagon-like peptide-1 and enhances glucose-dependent insulin secretion and improves glucose homeostasis in type 2 diabetic rats." . "Somatostatin antagonistic peptide JR11 that is linked to the chelating agent dodecanetetraacetic acid (DOTA). Binds to somatostatin receptors (SSTRs), with high affinity for SST2" . "The compound (from a pre-print) is selective KDM5 covalent inhibitor designed to target cysteine residues only present in the KDM5 sub-family . Target engagement and ChIP-seq analysis showed that compound 7 inhibited KDM5B in cells and induced a global increase of the H3K4me3 mark at transcriptional start sites. KDM5B is thus involved in the epigenetic regulatory pathway of immune response and potential targets for antipathogen and anticancer immunotherapy." . "AN3661 is a compound with potent antimalarial activity and belongs to a novel class of boron-containing compounds, the benzoxaboroles .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "AN13762 is a preclinical antimalarial candidate optimized from the benzoxaboroles, a novel class of boron-containing compound .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Pyronaridine is a benzonaphthyridine derivative with potent antimalarial activity.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "MK-4256 is a potent and selective SST3 receptor antagonist." . "Selective SST4 receptor agonist." . "Selective SST5 receptor antagonist." . "CM4620 is an investigational Orai1 inhibitor . It is likely to be compound I as claimed in Calcimedica's patent WO2016138472A1 ." . "GSK-7975A was designed as a calcium-release activated calcium (CRAC) channel inhibitor . The structure is claimed as Example 36 in Glaxo patent US20120053150A1 . GSK-7975A inhibits (blocks) the Orai1 component of the CRAC channel complex ." . "PN10 is a /necrostatin hybrid molecule that inhibits RIPK1-driven necroptosis . The compound retains most of ponatinib's in vivo activity, but with improved selectivity conferred by the necrostatin component." . "Cemiplimab (REGN2810) is a fully human anti-PD-1 immuno-oncology biological therapeutic that was developed by Regeneron Pharmaceuticals . This antibody was produced using Regeneron's genetically engineered VelocImmune® mice which have humanized immunoglobulin gene loci and produce human:mouse hybrid antibodies that can rapidly be converted to fully human antibodies .
Full peptide sequence and disulphide bond information is available from the IMGT/mAb-DB entry for this antibody." . "CRX-555 is a synthetic Toll-like receptor 4 (TLR4) partial agonist from the Corixa Corporation . It is one of a series of lipid A mimetic aminoalkyl glucosaminide phosphate compounds that were synthesised with different length secondary acyl chains. CRX-555 has 8 carbon atoms in each of its 3 secondary acyl chains. The chemical structures for aminoalkyl glucosaminide phosphate lipid A mimetics including CRX-555 were originally claimed in patent US6303347B1 (now expired) TLR4 as potential adjuvants and immunoeffectors . A later patent (WO2008128997A1 ) claims these compounds for prophylactic and therapeutic applications in autoimmune diseases. The partial agonist effect of CRX-555 was demonstrated in HeLa cells transfected with TLR4/MD-2/CD14 and an IL-8 luciferase promoter construct. While CRX-527 gave a maximum stimulation of almost 60-fold (at 10μg/ml), the maximum stimulation by CRX-555 at this concentration was only ~25-fold ." . "ST034307 is selective small-molecule inhibitor of adenylyl cyclase 1 . It has shown experimental analgesic properties in vivo." . "UCT943 was identified from a SAR study of the 2-aminopyridines, a class of small molecules with promising antimalarial activity .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "This compound is reported as a selective inhbitor of Bruton's tyrosine kinase (BTK) . Compared to existing BTK inhibitors it has a novel aminotriazine scaffold. Inhibitor 4b has been advanced to preclinical studies for evaluation of its anti-inflammatory potential. This is one of the chemical structures claimed in Carna Bioscience's patent WO2015012149A1 ." . "The selectivity profile of RO3306 (structure reported in ) suggests that is the most suitable CDK1 chemical probe to be reported (as of October 2018) . Additional non-CDK off-targets that should be considered when interpreting experimental results include PKCδ (Ki 318 nM), SGK (Ki 497 nM) and ERK (Ki 1980 nM) ." . "Osthole is a bioactive natural botanical compound with anti-fungal and antipruritic activities. It is a reported TRPV3 channel blocker ." . "Paxalisib (GDC0084) is a dual PI3K/mTOR inhibitor that was developed by Genentech . It was designed to cross the blood-brain-barrier as a potential oncology drug for the treatment of malignant gliomas." . "Parsaclisib (INCB050465) is a PI3Kδ inhibitor that was developed by Incyte Corporation as an antineoplastic and immunomodulatory agent, as claimed in their patent WO2014134426A1 . The chemical structure is one of those claimed in patent WO2013033569A1, but it was not immediately clear which example it was from a mixture of diastereoisomers 345-348 (347 and 348 had the highest inhibitory potency vs. PI3Kδ and 347 was tested in vivo) . The 2019 disclosure by Yue et al. confirmed the structure as patent example 346 . Preclinical and phase 1/2 clinical evidence suggests that compared to first-generation PI3Kδ inhibitors, parsaclisib has reduced hepatotoxicity ." . "Zifaxaban is an orally active direct factor Xa inhibitor . There is one patent hit for this compound, WO2014183665A1 .
Zifaxaban appears to be a 'pseudo' INN. It includes the INN stem for a factor Xa inhibitor (%22xaban%22), but has not (yet) been submitted to the World Health Organisation for ratification." . "Vibegron (MK-4618) is a potent and selective β3 adrenoceptor agonist that was developed by Merck as a pharmacological modulator for the management of overactive bladder ." . "AUNP-12 is a small branched peptide inhibitor of the PD-1/PD-L1 pathway that was developed by Aurigene Discovery Technologies and is claimed in their patent WO2011161699A3 . It interacts with PD-1 and prevents binding of both PD-L1 and PD-L2 . It is composed of two linked peptide chains (sequence 1 SNTSESFKFRVTQLAPKAQIKE and sequence 2 SNTSESF), with a total of 29 amino acids. Peptidic antagonists of PD-1 binding by PD-L1/L2 such as AUNP-12 are being developed with the aim of overcoming the pharmacokinetic, manufacture and useage limitations of the current monoclonal antibody PD-1 pathway inhibitors, as well as reducing some of their severe immune-related adverse events ." . "Dimetindene is an orally active, selective histamine H1 receptor antagonist. It also has anticholinergic activity . The INN specifies the racemic mixture of (R)- and (S)-enantiomers. We show the structure without specified stereochemistry to represent that mixture." . "Mizolastine is a highly selective, long-acting second generation histamine H1 receptor antagonist that is used clinically as an antiallergy medication. It does not cross the blood-brain barrier and does not bind the muscarinic cholinergic M1 receptor ." . "Rupatadine is a second generation histamine H1 receptor and platelet-activating factor (PAF) receptor antagonist . It is selective, long-acting and non-sedating. It was designed as a single structure dual antagonist based on evidence that PAF appears to act alongside histamine in the pathogenesis of the allergic response." . "This is the (S)-enantiomer of the antihistamine drug ." . "The DDR1 and DDR2 receptor tyrosine kinases are new potential targets for anti-inflammatory drug discovery, as they are critical mediators of inflammatory cytokine secretion whose dysregulation is implicated in the progression of various human inflammatory diseases, including fibrosis, arthritis, atherosclerosis and cancer . The dual inhibitor compound 5n was designed to investigate the anti-inflammatory potential of coinhibiting these enzymes, and provides a lead scaffold for further optimisation ." . "This CCR5 antagonist was designed to overcome some of the detrimental issues associated with the approved CCR5 antagonist (an HIV entry inhibitor drug;) such as CYP450 inhibition, hERG inhibition and viral resistance . It is one of the chemical structures claimed in patent WO2015101265A1 belonging to the Shanghai Institute of Materia Medica ." . "TUG-1375 was designed as a selective free fatty acid receptor 2 (FFA2/GPR43) agonist, as a pharmacological tool that is suitable for the study of FFA2 receptor function in vitro and in vivo . FFA2 is known to be involved in regulation of metabolism, appetite, fat accumulation and inflammatory responses." . "GSK2646264 is a skin permeable Syk inhibitor that is being investigated as a topical treatment for skin inflammation . An X-ray crystal structure of GSK2646264 bound to human SYK reveals that it binds the enzyme's aspartate 512 residue which lies within the ribose pocket in the ATP binding site of Syk." . "7-BIA is a 7-butoxy analogue of illudalic acid (PubChem CID 3653077) that has been reported as an inhibitor of receptor type protein tyrosine phosphatase D (PTPRD) , which is a novel therapeutic target for the treatment of addiction." . "Potent, selective, and efficacious prostanoid EP2 receptor agonist." . "Potent and selective sphingosine-1-phosphate receptor 4 (S1P4) agonist." . "This compound is a selective inhibitor of the endoplasmic reticulum chaperone protein GRP94 . It has demonstrated anti-inflammatory efficacy in the mouse DSS-induced model of ulcerative colitis." . "AM-6120 is a peptidic voltage-gated sodium channel blocker with the sequence Glu-[Pra1;Nle6;Ala12;5-BrW24;Glu28]JzTx-V(1-29), where JzTx-V is a sodium channel inhibitor isolated from tarantula venom . JzTx-V inhibits NaV1.7 activity by interacting with the second voltage sensor domain of the NaV1.7 pore forming α-subunit and thereby holding the ion channel in a closed conformation, but its action is non-selective ." . "ARN19702 is a second generation non-covalent inhibitor of N-acylethanolamine acid amidase (NAAA) ." . "F215 is an inhibitor of N-Acylethanolamine acid amidase (NAAA) . It was designed for anti-inflammatory potential." . "The structure and activity of UNC4203 is disclosed in Zhao et al. (2018) and we rendered the structure using the SMILES string provided therein. It is one of the chemical structures claimed in patent US20150291606A1 , with therapeutic uses of such compounds claimed in WO2015157125A1 ." . "H-151 is a small molecule covalent STING antagonist . Mechanistically it binds to Cys91 of the protein and prevents its palmitoylation. The non-modified STING protein is then unable to assemble the STING complexes that are essential to activate downstream processes (e.g. Type I interferon response). H-151 has been reported to reduce SARS-CoV-2-induced lung inflammation and to improve disease outcome in ACE2-humanised mice ." . "MDL-800 is an allosteric activator of SIRT6 that is active in vitro and in physiological experiments (e.g. tumour xenograft models) . It increases the deacetylase activity of SIRT6 which leads to decreased H3K9 and H3K56 acetyl-lysine marks in cancer cells in vitro and an anti-tumour effect." . "Inhibitor 11 was designed as a dual inhibitor of fatty acid amide hydrolase (FAAH) and soluble epoxide hydrolase (sEH), two enzymes that independently down-modulate inflammatory and neuropathic pain . The structure-activity relationship exploration was initiated using the potent FAAH inhibitor (which is a weak sEH inhibitor). Inhibitor 11 is one of the chemical structures claimed in patent WO2017160861A1, specifically example 28 (B-11) . Inhibitor 11 exhibits favourable target selectivity, pharmacokinetic properties and in vivo target engagement ." . "PFKFB3 kinase Inhibitor 69 is the most potent of a series of compounds designed by Boutard et al. (2018) for potential anti-cancer activity . It is one of the chemical structures claimed in patent WO2016180537A1, namely Example 110 . 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase 3 (PFKFB3) is the ubiquitously expressed and hypoxia-induced isoform of PFK-2, which is an enzyme that catalyses the production of fructose-2,6-bisphosphate, a metabolite that drives aerobic glycolysis and energy production in cancer cells." . "Compound 5i is a analogue that acts as an inhibitor of indoleamine 2, 3-dioxygenase (IDO) 1 and IDO2 . It is a non-competitive inhibitor of IDO2." . "This compound is a potent agonist of the stimulator of interferon genes (STING) protein, which is an intracellular detector/receptor of pathogen-derived and self DNA in the cytosol . It was designed to be a systemically active immune-modifying anti-cancer therapeutic, with the potential to outperfom existing modified cyclic dinucleotide-based cGAMP (the endogenous STING agonist) development compounds, which are generally active by intratumoral delivery in a restricted range of accessible tumours. It is one of the chemical structures claimed in GlaxoSmithKline's patent WO2017175147A1 ." . "This compound is an optimised derivative of that has improved solubility and improved potency in primary cells . Like agonist 2 it is one of the chemical structures claimed in GlaxoSmithKline's patent WO2017175147A1 . it behaves as a cyclic dinucleotide mimic to activate the STING pathway.

SARS-CoV-2: Preclinical experimental evidence (in mice) suggests that this STING agonist may be effective in controlling infection by a range of SARS-CoV-2 variants, including B.1.351 (the beta variant ) . The mechanistic hypothesis is that directly activating STING transiently stimulates interferon (IFN) signalling and circumvents the virus' ability to block IFN activation in infected respiratory epithelial cells, and re-establishes the innate immune response to infection." . "Revefenacin (TD-4208) is a potent and long-acting muscarinic cholinergic receptor (mAChR) antagonist (LAMA) that has bronchodilatory effects , and which is approved for the management of chronic obstructive pulmonary disease (COPD). mAChR antagonists are the core agents used as first-line therapy for COPD. Revefenacin acts as a competitive antagonist at all 5 human mAChRs ." . "SPRi3 is a potent small-molecule inhibitor of sepiapterin reductase , which is the terminal enzyme in the synthetic pathway for the metabolite and enzyme co-factor BH4 (also known as ). Structurally SPRi3 is a N-acetylserotonin analogue. It is one of the chemical structures (example 23) claimed in patent WO2011047156A1 ." . "MDMB-Fubinaca is an extremely potent, synthetic cannabinoid CB1/CB2 receptor agonist . Cryo-EM of the ligand-receptor complex shows that it locks the CB1 receptor in an active conformation ." . "GSK963 is a potent inhibitor of receptor interacting serine/threonine kinase 1 (RIPK1) that is suitable as a tool compound to study the function of RIPK1 in vitro and in vivo and to explore its contribution to inflammatory disease pathogenesis. GSK963 is the S enantiomer. The R enantiomer (GSK962) is inactive and can be used as a negative control to confirm on-target effects." . "Compound 27 is a potent inhibitor of receptor interacting serine/threonine kinase 1 (RIPK1) . It is a type II inhibitor that is active against the DLG-out inactive conformation of the enzyme." . "Inhibitor R-28 was designed as a pharmacological tool suitable for examining the function of IKKβ its role in disease pathogenesis, and the effects (good and bad) of inhibiting this kinase on immune function . It has favourable pharmacokinetics and in vivo activity. The chemical structure has been claimed in patents granted to GlaxoSmithKline (e.g. the most recent incarnation US8372875B2 )." . "VU2957 is a potent, selective and orally active positive allosteric modulator of the metabotropic glutamate receptor subtype 4 (mGlu4) . It can cross the blood-brain barrier and has been evaluated as a preclinical candidate for the treatment of Parkinson's disease. Although it is active in vivo, the compound does not have the most conducive solubility. Selective activation of mGlu4 reduces motor symptoms in preclinical models of Parkinson's disease, primarily by decreasing the output of the indirect pathway in the basal ganglia." . "Lazertinib (YH-25448, GNS-1480) is an oral, third-generation inhibitor of the aberrant activity of mutant EGFR kinases (EGFR T790M and the activating EGFR mutations Ex19del and L858R), that was originally developed by Yuhan Corporation for antineoplastic potential in cancers with (acquired) resistance to existing EGFR tyrosine kinase inhibitors , in particular for EGFR mutation positive, advanced non-small cell lung cancer (NSCLC). It is claimed in Yuhan's patent WO2016060443A2 as compound 73 .
In addition to predicted efficacy for the treatment of primary lung and extracranial lesions, lazertinib is expected to be beneficial for NSCLC brain metastases as it is able to cross the blood brain barrier." . "Auphen is a gold (Au)-containing compound that was designed as a potential anticancer agent . It has been shown to act as an inhibitor of aquaglyceroporins AQP3 and -7 ." . "YH18968 is a GPR119 agonist that was developed as a potential therapeutic for treatment of type 2 diabetes mellitus . In rodent models it improves glucose tolerance, increases GLP-1 levels and augments the glucose lowering effects of a DPP4 inhibitor. It is one of the triazolone derivative compounds claimed in Yuhan Corporation's patent WO2014175621A1 ." . "1R-11 is a synthetic lipoxin mimetic that exhibits anti-inflammatory activities via a mechanism which appears to be mediated by agonism of the ALX/FPR2 G protein-coupled receptor ." . "Compound 8q is reported as an orally active inhibitor of the transcription factor STAT3 . Structurally 8q is a derivative of (BBI608), a cancer cell stemness inhibitor that targets the STAT3 pathway , and which was evaluated for antineoplastic potential in clinical trial . STAT3 is a crucial component of the JAK/STAT signalling pathway, that is implicated in cancer and inflammation. STAT3 is frequently activated in cancers, where it downmodulates intrinsic immune surveillance of tumour cells. Phosphorylated (activated) STAT3 (pSTAT3) is a marker of poor cancer prognosis . Inhibition of the STA3 pathway induces T cell- and NK cell-dependent growth inhibition of tumours and by this mechanism, enhances antitumour immunity . Selective STAT3 inhibitors are being investigated as anti-cancer immunotherapeutics and as more general immunomodulators for non-cancer inflammatory disorders." . "Spartalizumab (PDR001) is a humanized, IgG4κ anti-PD-1 monoclonal antibody immuno-oncology lead that is being developed by Novartis.
Sequence and structural information about this antibody are available from its IMGT/mAb-DB entry. BLAST analysis of the peptide sequences submitted to the WHO for the INN spartalizumab reveal exact matches with peptide sequences claimed in patent US9683048B2 , specifically SEQ ID NO: 91 for the entire heavy chain and SEQ ID NO: 72 for the entire light chain. Sequence IDs 91 and 72 are components of the antibody designated as BAP049-Clone-E which is one of the humanized clones generated in the discovery campaign described in US9683048B2." . "N71 is a potent, selective and irreversible inhibitor of the protein lysine demethylases KDM5A and KDM5B . It was designed to interact and form a covalent bond with Cys481 of KDM5 enzymes which is a cysteine residue that is located near the enzymes' active site that is present in all 4 KDM5 family enzymes but not in other dioxygenases such as the KDM4 and KDM6 histone demethylases . KDM5A and KDM5B are known oncogenic drivers whose inhibition is of interest to those developing novel anti-cancer therapeutics." . "Potent and selective S1P4 antagonist." . "PQR620 is a potent and selective inhibitor of mTORC1/2 mTOR-containing complexes that was developed by PIQUR Therapeutics . It is brain-penetrating and is being analysed for clinical potential in neurological disorders and cancer. PQR620 was designed as a more effective alternative to the rapalogs , and which show only modest overall response rates in solid tumours . Chemically PQR620 is a rationally designed derivative of (PQR309), in which bimiralisib's trifluoromethyl group is substituted by a difluoromethyl group, and its morpholino groups are substituted with oxo-azabicyclo moieties." . "SR1001 is a synthetic retinoic-acid-receptor-related orphan receptor (ROR) modulator . Its interaction with the ligand binding sites of RORα and RORγt induces conformational changes in these receptors that alter co-activator/co-repressor binding affinity, and which lead to suppression of the receptors' transcriptional activity. Chemically SR1001 is a derivative of the liver X receptor ligand , which has been shown to act as an inverse agonist of RORα and RORγ ." . "SR2211 is a selective inverse agonist of the retinoic acid-related orphan receptor γ (RORγ) . It is a derivative of the RORα/γ inverse agonist ." . "SR1555 is a selective inverse agonist of the retinoic acid-related orphan receptor γ (RORγ) ." . "Audien is a gold (Au)-containing compound that was designed as a potential antitumor agent . In this reference it is described as Au(dien)Cl]Cl2, where dien = diethylentriamine. It has been shown to act as an inhibitor of aquaglyceroporin AQP3 ." . "CXCR4 antagonist 22 is one of the most efficient compounds that was identified in a structure-based virtual screening and SAR optimisation study to find novel CXCR4 antagonists ." . "Inhibitor 20a represents a novel chemotype for Janus kinase inhibitors; benzo[ c]pyrrolo[2,3- h][1,6]naphthyridin-5-one (BPN) . It was identified using sequential palladium catalysis." . "Inhibitor 17b represents a novel chemotype for Janus kinase inhibitors; benzo[ c]pyrrolo[2,3- h][1,6]naphthyridin-5-one (BPN) . It was identified using sequential palladium catalysis." . "SLC-0111 is a carbonic anhydrase (CA) IX/XII inhibitor that is being investigated for anti-neoplastic potential . SLC-0111 is selective for the transmembrane CA isoforms IX and XII, compared to the cytosolic CA I and II isoforms. CA IX and XII are expressed predominantly in the hypoxic tumour microenvironment. Their inhibition promotes a significant antitumour/antimetastatic effect and reduces cancer stem cell numbers. The crystal structure of SLC-0111 bound to CA II has been resolved (see PDB ID 3N4B) ." . "I3MT-3 is an inhibitor of the H2S-producing enzyme, 3-mercaptopyruvate sulfurtransferase (MPST) ." . "Astressin 2B is a potent and selective CRF2 antagonist ." . "K-604 is a selective acetyl-CoA acetyltransferase 1 (ACAT1) inhibitor that is a clinical lead antihyperlipidemic agent . K-604 is also mentioned in patent US9149492B2 ." . "Neolymphostin A is a natural product that was isolated from the marine actinomycetes bacterium Salinispora arenicola CNY-486 . It was shown to be a dual inhibitor of PI3K/mTOR in vitro. It covalently modifies Lys802 of human PI3Kα in tandem MS/MS experiments. This is claimed to be the first example of a covalent kinase inhibitor to be isolated from bacteria." . "CA-4948 is an orally available, reversible inhibitor of interleukin 1 receptor associated kinase 4 (IRAK4) . It downmodulates the IRAK4 activity that is required for Toll-like receptor (TLR) and interleukin-1 receptor (IL-1R) signalling in a variety of myeloid and lymphoid cell types, notably in cancer cells (e.g. diffuse large B-cell lymphoma cells) in which the MYD88 adaptor protein carries an activating mutation (MYD88L265P) . In such mutant cells NF-κB signaling is constitutively active and this is indicative of a poorer prognosis. Hence, IRAK4 inhibitors such as CA-4948 are expected to provide clinical benefit in MYD88 mutation +ve hematological cancers. The chemical structure of CA-4948 matches that submitted to the WHO for the INN emavusertib." . "Halofuginone is a synthetic derivative of febrifugine, a quinazolinone alkaloid first isolated from the roots of the blue evergreen hydrangea (D. febrifuga) and used as an antimalarial remedy in traditional Chinese medicine. The INN record for halofuginone indicates that it is a racemic mixture. We show the chemical structure without stereochemistry to represent the mixture.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "ML385 is a small molecule that binds to the Neh1 domain of the NRF2 transcription factor . Activating mutations in NRF2 (and loss-of-function (LOF) mutations in KEAP1, a protein that binds NRF2 and targets it for proteosomal degradation) have been reported to facilitate cytoprotective functions which are associated with mechanisms of chemotherapy resistance and tumour expansion in various solid tumour types . Evidence from preclinical and clinical studies has validated Inhibition of NRF2 as a novel mechanistic therapeutic approach for treatment-resistant tumours . ML385 inhibits NRF2 activity in non-small cell lung cancer (NSCLC) cells with LOF KEAP1 mutations in vitro and inhibits tumour growth in xenograft models using KEAP1 mutant NSCLC cells (in combination with ) ." . "Compound 22b represents a novel chemical scaffold class for receptor-interacting protein kinase 1 (RIPK1) inhibitors . It has shown anti-metastasis activity in the experimental B16 melanoma lung metastasis model. The molecular mechanism underlying this effect is identified as inhibition of tumour-dependent RIPK1-induced programmed necrosis (necroptosis) of vascular endothelial cells, which facilitates tumour cell extravasation and metastasis. Compound 22b is a type II kinase inhibitor that interacts with the inactive conformation (DFG-out) of the RIPK1 kinase domain." . "Compound 32 is an exemplar selective and covalent Janus kinase 3 (JAK3) inhibitor that was discovered by Casimiro-Garcia et al. . It was designed such that its cyanamide group directly engages the Cys909 residue in JAK3, and it exhibits irreversible binding in a competition binding assay." . "Compound 34 is an exemplar selective and covalent Janus kinase 3 (JAK3) inhibitor that was discovered by Casimiro-Garcia et al. . It was designed such that its cyanamide group directly engages the Cys909 residue in JAK3." . "BMS-823778 is an orally bioavailable clinical lead inhibitor of hydroxysteroid 11-beta dehydrogenase 1 (11β-HSD) which is the enzyme that converts inactive cortisone to biologically active costisol . We show the chemical structure for BMS-823778 free base. Some bioactivity data may have been determined using the hydrochloride salt (PubChem CID 54669979). BMS-823778 was developed for potential treatment of type 2 diabetes and metabolic syndrome." . "Benidipine is a dihydropyridine class, triple L-, T-, and N-type calcium channel blocker. The approved drug is a mixture of enantiomers and is administered as the hydrochloride salt. We show the chemical structure without specified stereochemistry to represent the mixture. The consensus PubChem compound for benidipine is CID 656668." . "Nilvadipine is a dihydropyridine class L-type calcium channel blocker that is used as an anti-hypertensive drug . The INN indicates that nilvadipine is a mixture of enantiomers. We show the chemical structure without specified stereochemistry to represent the mixture." . "VK-II-86 is a analogue . It has been used to demonstrate inhibition of store-overload-induced calcium release (SOICR) through the ryanodine receptor 2 (RyR2) channel." . "RV1729 is a clinical stage PI3Kγδ inhibitor that is being developed by Janssen Biotech subsidiary RespiVert (and licensed to Pulmatrix in 2017). The chemical structure is claimed in patent WO/2012/052753 ." . "RV6153 is a clinical stage PI3Kγδ inhibitor that is being developed by Janssen Biotech subsidiary RespiVert. The chemical structure is claimed in patent US9227977B2 . It is a derivative of . RV6153 is selective for PI3Kγδ over the α and β enzyme isoforms." . "CCX354 is an orally active CCR1 antagonist that was originally developed by Chemocentryx for anti-inflammatory/immunomodulatory potential. The chemical structure is claimed as Example 16 in patent WO2008147815A1 . The structure in the patent resolves to PubChem CID 25016615, which is a tautomeric representation of the claimed structure." . "SX682 is a selective and reversible antagonist (negative allosteric modulator) of the C-X-C motif chemokine receptors CXCR1 and CXCR2. It is orally bioavailable and is being investigated for potential anti-inflammatory and antineoplastic activities. It was developed by Syntrix Pharmaceuticals. The chemical structure presented here was obtained from the NIH's NCI drug Dictionary" . "MBX-2982 is a GPR119 agonist , that is a functional activator of human glucokinase activity in vitro ." . "Tomivosertib (eFT508) is an orally active and selective mitogen-activated protein kinase interacting kinases 1 and 2 (MNK1/2) inhibitor that is being developed by eFFECTOR Therapeutics for anti-neoplastic potential ." . "Ravulizumab (ALXN1210; Ultomiris) is a humanized monoclonal antibody that binds to human complement component C5. It was developed by Alexion as a next-generation anti-C5 therapy for paroxysmal nocturnal hemoglobinuria (PNH) that was engineered from their already approved PNH agent (Soliris), but was designed to have an inherently longer circulating half-life so as to extend dosing intervals to once/month .
Peptide sequence and secondary structural information for this antibody are available from its IMGT/mAb-DB record." . "This is a naturally occurring variant of human atrial natriuretic peptide (ANP) . It is a fusion protein that contains the full 28 amino acids of ANP plus a 12 amino acid C-terminal extension. In comparison to normal ANP this longer peptide exhibits enhanced blood pressure-lowering, renal-enhancing, and aldosterone-suppressing actions in vivo." . "Vidupiprant (AMG853) is a dual prostanoid DP1 and DP2 receptor antagonist that was developed for anti-asthmatic potential ." . "AM-461 is a prostanoid DP2 receptor antagonist. It is one of the chemical structures claimed (Compound 1) in patent WO2011085033 for use in treating PGD2-mediated inflammatory allergic responses, particularly asthmatic symptoms ." . "GLPG1205 is an investigational, orally bioavailable GPR84 antagonist that was being developed by Galapagos. The chemical structure is claimed as compound 122 in patent WO2013092791A1, for the treatment of inflammatory disorders . Galapagos cut GLPG1205 (for idiopathic pulmonary fibrosis, IPF) from their development pipeline in a cost-cutting exercise in the first half of 2021. Their chitinase inhibitor, GLPG4617 (structure undisclosed), will be taken forward into a phase 2 study for IPF." . "Mepacrine is an acridine derivative with antiprotozoal activity. Historically used as an antimalarial drug it is now used off-license as an immunomodulatory agent.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Noscapine is an alkaloid derived from the opium poppy Papaver somniferum, that has mild analgesic, antitussive, and potential antineoplastic activities." . "Sulfadoxine is a sulfonamide containing compound with antimalarial activity. It is used in the treatment of malaria as a combination therapy.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Sulfalene is a sulfonamide containing compound with antimalarial activity.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "SC83288 is an amicarbalide derivative and the clinical development candidate for this novel antimalarial chemotype .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Ubrogepant (MK-1602) is an orally available calcitonin gene-related peptide receptor antagonist that was developed by Allergan for the acute treatment of migraine . Notably it was the first oral CGRP receptor antagonist to be approved to treat migraines as they are occurring. Previously approved CGRP/CGRP receptor-targeting drugs (e.g. , and ) have been indicated for migraine prevention." . "AM10257 is a high affinity antagonist/inverse agonist of the cannabinoid CB2 receptor . Low efficacy CB1 agonism has also been detected." . "ARRY-502 is an oral, potent and selective prostaglandin D2 receptor 2 (DP2) antagonist. It is the (4S) enantiomer of one of the chemical structures (example 237) claimed in Array Biopharma's patent WO2009158426A1" . "Setipiprant (ACT-129968) is an orally active, potent and selective prostaglandin D2 (PGD2) receptor 2 (DP2 receptor) antagonist ." . "Compound 19a was designed as a small molecule type II kinase inhibitor to target c-Met in cancers, with improved drug-like properties, and pharmacokinetic and toxicity profiles compared to previously reported inhibitors of c-Met . It is a multi-tyrosine kinase inhibitor with targets including c-Met, Ron (macrophage stimulating 1 receptor), c-Kit, AXL and IGF-1R, and it is reported to be effective against drug-sensitive and drug-resistant cancer cell lines." . "ARD-69 is a potent proteolysis-targeting chimera (PROTAC) degrader of the androgen receptor (AR) that was designed as a proof-of-concept lead to evaluate the potential of PROTAC technology as a novel treatment mechanism for AR-positive, castration-resistant prostate cancer . It contains an AR antagonist (reported in ) that binds the AR, joined by a small linker molecule to a second ligand (in this case a VHL ligand) that engages the E3 ubiquitin ligase system via Cullin-2. This chimeric molecular structure targets AR protein for ubiquitination-dependent proteolysis." . "The synthetic peptide is a kisspeptin receptor agonist . [d-Tyr-14C]TAK-448 is a radiolabelled probe analogue that was designed for pharmacokinetic analysis in preclinical animal studies ." . "BAY-885 is a tool compound for studying the function of ERK5 (MAPK7) in cellular signalling, particularly its role in cancer cell proliferation . The compound has been used to show that pharmacological inhibition of ERK5 does not recapitulate the antiproliferative effects observed with genetic depletion of ERK5, findings which cast doubt on the role of ERK5 as a therapeutic target for cancer cell growth." . "TH5487 is a selective, active-site inhibitor of 8-oxoguanine DNA glycosylase (OGG1) . OGG1 repairs 8-hydroxy-2′-deoxyguanosine (8-oxoG) DNA defects that can be induced by reactive oxygen species (ROS) at sites of inflammation. TH5487 inhibits OGG1-mediated proinflammatory activity in allergic states. In a mouse model of allergic airway inflammation TH5487 reduced NF-κB-mediated expression of proinflammatory cytokines/chemokines and inhibited immune cell recruitment into the lungs with an associated reduction in goblet cell hyperplasia and mucus production ." . "NFP is a μ/κ opioid receptor dual selective antagonist. It is able to cross the blood-brain barrier so acts both centrally and peripherally . In vivo evidence suggests NFP as a lead compound in the search for new agents to treat opioid abuse and addiction." . "Compound 28 is a retinoid X receptor agonist (rexinoid) and is representative of a novel rexinoid chemotype that is proposed as a lead for the RXR-targeting medicinal chemistry pipeline." . "Compound 3f is a non-steroidal, selective farnesoid X receptor (FXR) antagonist with a novel 3,5-disubstituted oxadiazole chemotype . It is proposed as a promising lead that is suitable to further the investigation of the therapeutic value of FXR antagonists in the treatment of cholestasis and related metabolic disorders. Antagonist binding to FXR renders the receptor unable to recruit the coactivators it requires for transcriptional activation, and results instead in transcriptional silencing of FXR target genes. 3f exhibits no agonistic activity toward FXR." . "Ciforadenant (CPI-444) is an orally active adenosine A2A receptor antagonist." . "BMS-1001 is a small molecule that disrupts the PD-1/PD-L1 immune checkpoint interaction from the same series as ." . "ADU-S100 (a.k.a. ML RR-S2 CDA) is a synthetic cyclic dinucleotide STING agonist that is being developed as an immuno-oncology lead by Aduro BioTech and Novartis ." . "PBF-509 is an adenosine A2A receptor antagonist that is being developed by Palobiofarma . It is being considered for clinical potential as an immuno-onclogy adjunctive agent and as a treatment for movement disorder in Parkinson's disease patients. Although the chemical structure of PBF-509 has not been formally disclosed, a comparision of published data and Palobiofarma patent documents leads us to consider Example 1 from WO2011121418A1 as a likely candidate for this antagonist (binding and functional data values in the patent match data published in the peer reviewed articles that describe PBF-509). We await full disclosure to be certain of our decision." . "Compound 6g was desigend as a dual epidermal growth factor receptor (EGFR) kinase and tubulin polymerization inhibitor . It binds to the colchicine site on tubulin which is expected to translate to antimitotic activity and it should mediate a vascular-disrupting effect via EGFR inhibition." . "Compound 28 is a selective PIM1/2 kinase inhibitor that has been designed for therapeutic potential in treating hematological malignancies ." . "VU6012962 is an orally bioavailable, CNS-penetrant negative allosteric modulator of glutamate metabotropic receptor 7 (mGlu7) that is suitable as a research probe ." . "Vantictumab (OMP-18R5) is an anti-FZD antagonistic monoclonal that induces inhibition of the Wnt signalling pathway . It is being developed by OncoMed Pharmaceuticals. As receptors for Wnt ligands the FZD receptors are molecular targets for the prevention and treatment of cancer and inflammation that lie upstream of β‑catenin. Inhibition of Wnt-induced FZD activation by vantictumab reduces tumour cell proliferation and in vivo tumorigenicity , indicating the potential utility of blocking the activation of selected members of the FZD receptor family as a treatment for a wide range of tumours.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "INT-767 is a dual farnesoid X receptor (FXR) and G protein-coupled bile acid receptor 1 (TGR5) agonist that is in Intercept Pharmaceuticals' development pipeline . Chemically it is a semisynthetic bile acid derivative and it was synthesised and tested as the sodium salt. Preclinical data indicate INT-767's potential in both preventing and reversing organ damage due to fibrosis." . "Tezacaftor is a small molecule cystic fibrosis transmembrane conductance regulator (CFTR) modulator that was developed by Vertex Pharmaceuticals ." . "Migalastat was developed by Amicus Therapeutics as a first-in-class oral monotherapy for the treatment of Fabry disease . Mechanistically it acts as a pharmacological chaperone that stabilises certain mutant forms of α-galactosidase that are found in Fabry disease patients and enhances enzyme activity . It is a stereoisomer of ." . "Example 25 is a vanin 1 inhibitor that is claimed in patent WO/2018/228934 ." . "AM1710 is a cannabilactone class, selective cannabinoid CB2 receptor agonist . The cannabilactones produce peripheral analgesic activity without the the psychoactive central nervous system side-effects of other CB2 receptor agonists . As expected from its pharmacological profile, AM1710 shows limited blood brain barrier penetration . It has potent agonist activity at rat and mouse CB2 receptors but much reduced activity at human receptors, so is an excellent tool for rodent studies, but it is less useful for translation-to-human studies. In vitro experiments have identified low-potency CB1 inverse agonist activity, but the in vivo relevance of this discovery is undetermined .It is important to note that the sequence heterogeneity in CB2 across species leads to different pharmacologic responses to identical drugs , so extrapolating results from rodent models to humans should be approached with caution.
A 2019 publication of work by Li et al. describes rodent experiments that they undertook to resolve the mechanism(s) by which AM1710 suppresses allodynia caused by distinct pathological processes . Their investigations show that AM1710 is not a broad-spectrum analgesic. In rodent models it is effective in paclitaxel-induced mechanical and cold allodynia but not in mechanically-induced allodynia." . "Casoxin C is a bioactive peptide derived from a tryptic digest of bovine κ-casein . It shares sequence homology with complement peptide C3a(70-77) and acts as an agonist of the C3a complement peptide receptor." . "Compound 1 is a small molecule orexin receptor agonist, with selectivity for OX2 . Cryo-EM reveals that it binds to the orthosteric pocket of the OX2 receptor and stabilises the active receptor conformation." . "Endoxifen is the most active metabolite of tamoxifen. Endoxifen generation in vivo is performed by the cytochrome P450 (CYP) 2D6 enzyme . In addition to its antagonistic activity at estrogen receptors, it also acts as an aromatase inhibitor ." . "Norendoxifen is an active metabolite of tamoxifen. In addition to acting as an estrogen receptor modulator, norendoxifen also inhibits aromatase enzyme activity (i.e. inhibits estrogen biosynthesis) . We show the Z isomer here as it is more potent in terms of ER modulation and in vivo activity compared to the E isomer." . "NE 52-QQ57 is an orally bioavailable, selective antagonist of the class A orphan GPCR, GPR4 . It is one of the chemical structures claimed in Novartis' patent WO2012131633A1 ." . "Compound 3b is reported as a selective antagonist of the acid-sensing GPCR, GPR4 . It is a suitable pharmacological tool for in vtro and in vivo study of GPR4's role in tissue acidosis and consequential pathological tissue damage." . "Ibalizumab was originally reported as anti-CD4 monoclonal antibody 5A8 by Burkly et al. (1992 ) . It is a non-immunosuppressive, humanised monoclonal antibody that acts as an HIV entry inhibitor . Anti-HIV activity of TNX-355 (later to be assigned the INN ibalizumab) in patients was reported in 2004 .
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "Troleandomycin is a macrolide antibacterial that is related to erythromycin." . "olinciguat (IW-1701) is an orally bioavailable stimulator of (NO)-sensitive soluble guanylyl cyclase (sGC) that is being developed by Ironwood Pharmaceuticals as a potential sickle cell disease therapeutic . It acts as a cGMP amplifying agent." . "FD1 is a derivative ." . "FD6 is a derivative ." . "KH7 is a soluble adenylyl cyclase inhibitor ." . "SLC4101431 is a sphihgosine kinase inhibitor with ~100-fold selectivity for the SK2 isozyme compared to SK1 ." . "Compound 27d is a sphingosine kinase inhibitor with selectivity for the SK2 isozyme ." . "MP-A08 is a inhibitor of sphongosine kinases 1 and 2 . It is selective for these two enzymes over a panel of other kinases. Notably this is an ATP-competitive inhibitor rather than a sphingosine-competitive compound." . "Fisogatinib (BLU-554) is an orally bioavailable, potent and highly selective fibroblast growth factor receptor 4 (FGFR4) inhibitor. It was discovered by Blueprint Medicines (probably compound number 40 therein), and is being investigated for clinical anti-tumour efficacy in cancers that are driven by FGFR4 activation (for example, in liver cancers where the FGF19/FGFR4 signalling pathway is activated by genetic alteration). Structurally, fisogatinib is a derivative of and is similarly an irreversible type tryosine kinase inhibitor." . "CCK-39 is a cholecystokinin variant prptide." . "TAK-448 is a nine amino acid kisspeptin receptor agonist . It has good water solubility." . "ML10 is the lead compound from an imidazopyridine series with antimalarial activity .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Albutensin A is a serum albumin-derived peptide . It acts as an agonist of the complement C3a and C5a receptors ." . "Oryzatensin is a complement receptor C3a peptide agonist that was isolated from a tryptic digest of rice albumin ." . "Lactomedin 1 is a bioactive peptide derived from human lactoferrin . It exhibits weak agonist activity at the complement C5a receptor." . "MMV008138 is a drug-like compound with antimalarial activity that was chosen as one of the chemotypes to be included in the MMV Malaria Box .
The 1R,3S enantiomer, represented by PubChem CID 987146, has the highest antimalarial potency .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "AS2717638 is a lysophosphatidic acid receptor 5 (LPA5) antagonist . It is selective for LPA5 over other LPA receptors tested in ligand binding assays." . "Vecabrutinib (SNS-062) is a second generation, noncovalent (reversible) Bruton's tyrosine kinase (BTK) inhibitor that is being developed by Sunesis Pharmaceuticals as a therapeutic for B cell malignancies that have developed resistance to first generation BTK inhibitors such as , through acquisition of the Cys481Ser mutation in the enzyme's active site. The structure presented here was obtained by searching PubChem using the IUPAC structure that was submitted to the WHO for the INN vecabrutinib. Sunesis' website associates the INN with the research code SNS-062 . Formal name-to-structure identification and pharmacological analysis are yet to be disclosed in a peer-reviewed publication. Patent interrogation identifies example I-1 in Biogen/Sunesis' patent WO2013185084A1 as a structure match to vecabrutinib ." . "AZ2 is a highly selective inhibitor of the lipid kinase PI3Kγ . It represents a novel chemotype that binds to a conserved part of the ATP-binding pocket (Type I inhibitor-like), but once bound the inhibitor induces a DFG-out (active state) conformational change and rearrangement of the activation loop (analogous to Type II protein kinase inhibitors). This mechanism occurs only in PI3Kγ. Analogues of this novel class of PI3Kγ inhibitors, with enhanced pharmacokinetic properties and in vivo potency (e.g. ), have been reported ." . "Compound 22 is an isoform-selective PI3Kγ inhibitor ." . "Selective A1 receptor agonist." . "Volociximab is a chimeric human IgG4 anti-integrin α5 subunit monoclonal antibody . It blocks the interaction between α5β1 and fibronectin and inhibits the complex's functional activity , and was originally developed for anti-angiogenic, anti-tumour potential . Volociximab does not cross-react with murine α5β1 so is unsuitable for use in standard xenograft models . A rat anti-mouse function-blocking α5β1 designed for murine experiments has been reported (339.1, Kd 0.59 nM), and like volociximab it inhibits angiogenesis and slows tumour growth in vivo." . "mGlu3 receptor negative allosteric modulator." . "VU0155094 is a potent, selective pan-Group III mGlu positive allosteric modulator." . "Group III mGlu receptor positive allosteric modulator." . "SC-560 is a selective COX-1 inhibitor ." . "FK-881 (ASP6537) is a selective COX-1 inhibitor ." . "SC-236 is a selective COX-2 inhibitor . It was an early structural lead that lead to the development of ." . "DO34 is a diacylglycerol lipase inhibitor ." . "DH376 is a diacylglycerol lipase inhibitor ." . "Cladosporin is a tricyclic octaketide that is a secondary metabolite produced by several fungal genera including Cladosporium and Aspergillus. Cladosporin exhibits broad-spectrum bioactivity, including antimalarial, antifungal, antibacterial, plant growth inhibitory properties and mammalian anti-inflammatory effects.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "ASP8477 is a small molecule, orally active inhibitor of the fatty acid amide hydrolase enzymes FAAH and FAAH-2, that is active in vitro and in vivo . Experimental evidence indicates that it produces CNS-driven analgesia." . "Piezo1 chemical activator." . "DO264 is a selective inhibitor of the serine hydrolase, ABHD12 . It produces immunostimulatory effects in vitro and in vivo, and is suitable as a tool compound to investigate the biological functions of ABHD12 ." . "QRFP26 is a neuropeptide that is predominantly expressed in the hypothalamus." . "LV-2186 is a synthetic 26RFa(20-26) peptide analogue . It is 25-fold more potent than unmodified 26RFa(20-26)." . "Radio-labelled probe of human 26RFa () that is suitable for in situ hydridisation experiments ." . "B1 receptor agonist." . "B2 receptor agonist." . "Cinromide exhibited antiepileptic (anticonvulsant) activity in animal models but very limited clinical usefulness in humans." . "GGsTop is a nontoxic, and irreversible inhibitor of γ-glutamyltransferase (γ-glutamyl transpeptidase) (it is phosphonate diester 5a in this reference). The compound has two stereogenic centers and therefore has the potential to exist in 4 stereoisomeric forms . We show the structure without specified stereochemistry to represent the racemic mixture." . "GR-389988 (a.k.a. GZ389988) is a neurotrophic receptor tyrosine kinase/Trk inhibitor that was developed by Genzyme. It blocks nerve growth factor (NGF)/Trk pathway activation. The chemical structure is claimed in Genzyme's patent US9174986B2 for utility in the treatment of inflammatory diseases, autoimmune disease, defects of bone metabolism and/or cancer, and especially for the management of osteoarthritis and osteoarthritis pain. GR-389988 also inhibits c-FMS, the cellular receptor for colony stimulating factor-1 (CSF-1)." . "Compound 1u is the hit compound identified from a SAR study of peptoid-based histone deacetylase (HDAC) inhibitors for use as antimalarial agents .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Functionally selective, brain penetrant partial orthosteric agonist at M1 receptors ." . "GIRK (Kir) channel activator with enhanced selectivity for GIRK1/2 (Kir3.1/Kir3.2) channels . It is more selective for neuronal Kir3 channels than ." . "AT-56 is an orally active, selective inhibitor of lipocalin-type prostaglandin D synthase (L-PGDS, PTGDS) ." . "KV-37 is as aldo-keto reductase 1C3 (AKR1C3) inhbitor . Its androgen biosynthesis-inhibiting activity has shown encouraging synergistic therapeutic potential in combination with exposure in prostate cancer cells in vitro." . "ML351 is a potent and selective inhibitor of human 15-lipoxygenase-1 . It was used as a probe to demonstrate proof-of-concept of the therapeutic potential of selective inhibition of 15-LOX-1 in stroke models." . "GAT211 is an agonist and positive allosteric modulator (ago-PAM) of cannabinoid receptor 1 (CB1R) and is a racemic mixture of GAT228 (R-enantiomer) and GAT229 (S-enantiomer), each of which contribute different components of GAT211's molecular pharmacology. GAT228 provides the CB1R partial agonist activity, whereas PAM activity resides with GAT229 ." . "C2 is a positive allosteric modulator (PAM) that targets CB2 receptors. It has reported antinociceptive efficacy in an animal model of neuropathic pain ." . "ASP7663 is a selective activator of the TRPA1 ion channel . It activates human, rat, and mouse channels with similar EC50 values in vitro, and is effective by oral administration in rodent models of drug-induced constipation and abdominal pain." . "JT010 is a selective activator of the TRPA1 cation channel . It opens the channel by covalently and site-selectively binding to Cys621 of the protein, a mechanism that is mediated by the compound's chloroacetyl group." . "AM-0902 acts as an antagonist of the TRPA1 cation channel . It has demonstrated blockade of activation of human and rat TRPA1 channels, and can be used to investigate TRPA1 function in vitro and in vivo." . "Non-peptide Orexin receptor 2 agonist." . "GSK1702934A acts as a TRPC3/TRPC6 channel activator/agonist (structure obtained from )." . "GSK417651A acts as a TRPC3/6 ion channel blocker ." . "Weakly OX2-selective antagonist." . "Clemizole is principally known as an antagonist of the histamine H1 receptor. It has subsequently been identified as a transient receptor potential channel blocker with activity at the TRPC5 cation channel ." . "HC-070 is a potent, small molecule antagonist/channel blocker of TRPC4 and TRPC5 ." . "Tonantzitlolone is a natural product with effects similar to . Like (-)-englerin A the effects of tonantzitlolone appear to mediated by activation of cation flux via TRPC ion channels, principally the TRPC1/4/5 channel subtypes ." . "M084 is a potent inhibitor of TRPC4 and TRPC5, and a weak inhibitor of TRPC3 . It is a good pharmaceutical tool for investigating the physiological and pathophysiological functions of TRPC4/C5 channels." . "BTD acts as an activator of the TRPC5 ion channel . BTD-induced activation is long lasting, reversible and sensitive to the TRPC5 inhibitor ." . "AC1903 is small-molecule inhibitor of TRPC5 ion channels that has demonstrated in vivo activity ." . "Pico145 is a potent, selective, and subtype-specific small-molecule inhibitor of TRPC1/4/5 channels . It competitively inhibits -induced TRPC5 activation ." . "AM12 is a synthetic derivative of the naturally occurring flavonol . Like galangin it inhibits TRPC5-mediated calcium entry in to cells ." . "Forsythoside B is a naturallt occurring compound found in Lamiophlomis rotata Kudo plants. It has demonstrated in vivo antipruritic activity via inhibition of the thermosensitive TRPV3 ion channel in the skin . Chemically it is a phenylethanoid glycoside." . "RN-9893 is an orally-bioavailable, selective inhibitor/antagonist of the TRPV4 ion channel . It inhibits the channel activity of the human, rat and murine variants of TRPV4, and is selective for TRPV4 compared to related TRP channels, including TRPV1, TRPV3 and TRPM8. RN-9893 is therefore an appropriate probe compound for in vivo applications." . "Pi-theraphotoxin-Hm3a is a venom derived peptide isolated from Heteroscodra maculata (Togo starburst tarantula). It is a potent and highly stable tool for the study of ASIC channel function." . "Pi-hexatoxin-Hi1a is a peptide toxin isolated from the venom of Hadronyche infensa (Fraser island funnel-web spider)." . "Administered as diminazene aceturate (CID 5284544), this is a is a trypanocidal agent that has been used in veterinary practice since 1955." . "Mambalgin-1 is a polypeptide component of the venom from the black mamba (Dendroaspis polylepis polylepis) . Mambalgin-2 has also been identified and this differs from Mambalgin-1 by only one amino acid at residue 4 of the mature peptide (Tyr replaced by Phe in Mambaglin-2) . These Mambalgin peptides have been shown to block acid-sensing ion channels, principally ASIC1a- and ASIC1b-containing channels ." . "Orthosteric, short-duration S1P1 selective agonist." . "S1P3 receptor antagonist." . "Lerociclib (G1T38) is an investigational CDK4/6 inhibitor . It is being developed to help protect non-cancerous (normal) cells (in particular, hematopoietic stem and progenitor cells, and renal cells) in patients who are undergoing DNA damaging cancer chemotherapy . Lerociclib was designed to be highly selective, and short and transiently-acting." . "Selitrectinib (LOXO-195) is an oral tyrosine kinase inhibitor that is being developed by Loxo Oncology for antineoplastic potential . Mechanistically it is a selective neurotrophic receptor tyrosine kinase (NTRK) inhibitor that is designed to overcome acquired resistance caused by kinase domain mutations in NTRK fusion-positive tumours." . "Omidenepag acts as a selective agonist of the prostanoid EP2 receptor . It is administered as an opthalmic solution containing omidenepag isopropyl (which is named DE-117) in clinical studies . Omidenepag isopropyl has PubChem CID 44230999." . "Repotrectinib (TPX-0005) is a next-generation oral ROS1/NTRK/ALK inhibitor that was rationally designed to overcome tumour resistance due to acquired solvent-front mutations in these kinases . The chemical structure is claimed as example 93 in TP Therapeutics' patent US20170334929A1 ." . "BL-1249 is a K2P channel activator . It activates K2P2.1 (TREK-1) and K2P10.1 (TREK-2) ∼10-fold more potently than K2P4.1 (TRAAK)." . "Simurosertib (TAK-931) is an oral Cdc7 (cell division cycle 7-related protein kinase) inhibitor that is being developed by Millennium Pharmaceuticals/Takeda for potential antineoplastic activity in CDC7-overexpressing tumour cells . Cdc7 is a serine/threonine kinase and cell division cycle protein. Simurosertib sensitizes tumour cells to DNA-damaging chemotherapies by functioning to disrupt the cells' ability to recover from DNA damage ." . "Selpercatinib (LOXO-292) is a potent, selective and orally bioavailable ATP-competitive RET kinase inhibitor that was developed by Loxo Oncology. It inhibits wild-type RET, RET fusions,and RET carrying activating mutations and acquired resistance mutations . This reference by Subbiah et al. contains preclinical and proof-of-concept data for LOXO-292. This compound was rationally designed to offer a novel therapeutic option for heavily pretreated, multikinase inhibitor-experienced patients whose tumours carry diverse RET alterations." . "Olutasidenib (FT-2102) is an orally available and brain penetrant inhibitor of mutant IDH1 that is being developed by Forma Therapeutics for antineoplastic potential . Activating mutations in IDH1 (e.g. IDH1R132H) drive cancer initiation and growth by enhancing the formation of the oncometabolite 2-hydroxyglutarate (2HG) . Pharmacological inhibition of mutant IDH1 blocks 2HG production as a means to restore normal cellular differentiation. This is the same mechanism of action as (Tibsovo®) that was FDA approved in 2018.
FT-2102 is claimed as example 26 (I-14) in Forma Tm2's patent US9834539B2 ." . "Lys01 was developed for use as an antimalarial agent and is also reported to be a potent inhibitor of autophagy ." . "FzM1.8 is a small-molecule allosteric agonist of FZD4 and activates the WNT/β-catenin pathway ." . "FzM1 is a negative allosteric modulator of FZD4 ." . "SRI37892 is a small-molecule that was identified as a FZD7 antagonist in a reporter assay screen, but its pharmacology remains to be fully validated ." . "Fz7-21 is a peptide antagonist of FZD7 . It antagonises WNT3A-induced Wnt-β-catenin signalling in HEK293 expressing FZD7." . "Ipafricept (OMP-54F28) is a fusion protein that fuses the FZD8 cysteine-rich domain to human IGHG1 Fc fragment . It acts as a soluble decoy receptor for WNT ligands, and exhibits antitumour efficacy in vivo. Produced by OncoMed Pharmaceuticals." . "GSA-10 is a small-molecule positive allosteric modulator of SMO ." . "SAG1.3 is a small-molecule that was originally reported as a Smoothened (SMO) agonist . PubChem CID 76210627 represents an alternative stereoisomer of SAG1.3. The compound has subsequently been identified as a FZD6 partial agonist that binds within the receptor's transmembrane core ." . "Cyclopamine is a SMO antagonist that acts as a potent inhibitor of the Hedgehog (Hh) signaling pathway . It is a natural product present in the roots and rhizomes of Veratrum californicum (corn lily). Multiple structures with alternative stereochemistry are recorded in online chemistry resources." . "Cyclopamine-KAAD is a synthetic derivative of the plant-derived teratogen and SMO antagonist ." . "SANT-1 is a potent SMO antagonist and inhibitor of Hh pathway signalling ." . "SANT-2 is a potent SMO antagonist and inhibitor of Hh pathway signalling ." . "MRT-92 is a potent small-molecule SMO antagonist ." . "Taladegib (LY2940680) is an orally active SMO antagonist that was developed as an antitumour agent by Eli Lilly ." . "ANTA XV is a potent, orally bioavailable small-molecule SMO antagonist that was designed for antitumour potential ." . "Polymyxin B is an antimicrobial. It is a mixture of the polypeptides polymyxins B1 and B2, both obtained from Bacillus polymyxa strains. It has bactericidal action against almost all gram-negative bacilli except the Proteus group." . "TCMDC-125163 is a high affinity inhibitor of the P. falciparum hexose transporter (PfHT1), identified by screening the Tres Cantos antimalarial compound set (TCAMS) ." . "Compound 58l is a derivative of the P2Y12 receptor antagonist that has been optimised for drug-like properties (e.g. enhanced metabolic stability and antithrombotic efficacy in vivo) ." . "Diprovocim-1 is a highly potent, synthetic TLR1/TLR2 agonist . It is structurally disctinct from other known natural or synthetic lipoprotein TLR agonists. Mechanistically it promotes the formation of TLR2 dimers and TLR2/TLR1 heterodimers in vitro . The structure shown here was drawn from Morin et al. (2018) . PubChem hold a record for Diprovocim that shows alternative stereochemistry (CID 134817267)." . "Solriamfetol is a norepinephrine-dopamine reuptake inhibitor that was developed by Jazz Pharmaceuticals ." . "Thiazomycin A is a thiazolyl macrocyclic peptide antibacterial produced by Amycolatopsis fastidiosa . It is a potent Gram-positive antibacterial agent." . "GSK8612 is a selective inhibitor of Tank-binding kinase 1 (TBK1) . TBK1 is a noncanonical member of the IκB kinase (IKK) family that is involved in regulating signalling pathways in several physiological processes including innate immunity , oncogenesis, energy homeostasis, autophagy, and neuroinflammation. TBK1 is activated downstream of TLR3/TLR4 ligand engagement, via the adaptor protein TRIF. This subsequently results in IRF3 phosphorylation and culminates in IFNβ secretion from cell types including dendritic cells and macrophages. Dysregulated TBK1 activity is associated with autoimmune disorders, hence pharmacological inhibitors are considered for the treatment of (auto)inflammatory diseases." . "Compound 1 is a selective inhibitor of aldo-keto reductase family 1 member C3 (AKR1C3) . Chemically it is a biostere of , but its altered structure almost completely abolishes COX inhibitory activity, rendering the molecule selective for AKR1C3. Compound 1 is indicated as a pharmacological tool to further elucidate the role of AKR1C3 in cancer." . "Compound 3a has been reported as an inverse agonist of GPR55 . It exhibits antiproliferative activity against breast cancer cells in vitro (e.g. MDA-MB-231 IC50 2700 nM, MCF10A IC50 3700 nM)." . "MK-571 is a stereo enantiomer of . Be aware of the confusion caused by incorrectly using MK-571 as a synonym for verlukast that has arisen in online resources." . "K-80003 ia a retinoid X receptor-α (RXRα) modulator that can attenuate atherosclerotic plaque progression and destabilization in the ApoE-/- mouse model. Structurally, K-80003 is an analogue of the NSAID , but it lacks the COX inhibitory activity of the parent molecule ." . "BAY-593074 is an orally active cannabinoid receptor partial agonist . It is a pharmacological tool for experimental research." . "High affinity NK1 antagonist" . "NUDT7-COV-1 is a covalent inhibitor of the pyrophosphatase NUDT7 . It was discovered using a combination of electrophile fragment screening and high-throughput crystallography. We show the structure without specified stereochemistry to represent the racemic mixture, but the co-crystal structure reveals that the S-enantiomer is the active species." . "Tibulizumab (LY3090106) is an investigational bispecific monoclonal antibody. It is a humanized antibody that simultaneously targets IL-17A and BAFF (TNFSF13B; CD257), that was produced by Eli Lilly as a potential therapeutic for IL-17-driven autoimmune diseases. Peptide sequences for tibulizumab (accessed from IMGT) are 100% matches with SEQ IDs 1 and 2 from patent WO2013158577A1, entitled 'Anti-baff-anti-il-17 bispecific antibodies' . Tibulizumab neutralises IL-17 and BAFF bioactivities in vitro and in vivo ." . "LUF7602 is a covalent (i.e. irreversible) antagonist of the adenosine A3 receptor . The fluorosulfonyl warhead binds to amino acid residue Y265 of the receptor. LUF7602 does not bind to a mutant human A3R in which the tyrosine 265 residue is replaced by phenylalanine (Y265F), confirming this residue as the anchor site for the covalent interaction." . "AZD5718 is an inhibitor of (FLAP) that was developed by Astra Zeneca . It is orally active and is suitable for once-daily dosing. Initial clinical findings from a first-in-human study confirmed AZD5718 target engagement, and indicated that the compound is safe and well tolerated . It is being advanced for further evaluation in patients with coronary artery disease. The 5-LOX pathway has been targeted for drug development as an intervention in a number of diseases where chronic inflammation drives the pathophysiology (e.g. asthma, chronic obstructive pulmonary disease and atherosclerotic coronary artery disease). Since FLAP is a crucial regulator of 5-LOX activity, it too is being pursued as a druggable anti-inflammatory target. FLAP inhibitors and 5-LOX inhibitors reduce production of the leukotriene precursor LTA4 ." . "Tepoditamab (MCLA-117) is a bispecific monoclonal antibody that binds CLEC12A on myeloid cells and CD3ε on cytotoxic T cells. It is being developed by Merus as a novel therapy for acute myeloid leukemia (AML) ." . "HSD1590 is a boronic acid-containing Rho-associated kinase (ROCK) inhibitor . In vitro, it is more potent than at binding to or inhibiting ROCK enzymatic activities." . "Elimusertib (BAY1895344) is a potent, highly selective and orally available ATR inhibitor. It was designed using a combination of medicinal chemistry, pharmacology, DMPK (drug metabolism and pharmacokinetics) and computational chemistry. ATR responds to a broad spectrum of DNA damage and activates the DNA damage response (DDR) pathway. By preventing DNA repair in cancer cells (which are under replication stress and suffer from increased DNA damage and defective DNA damage repair), inhibition of ATR is expected to drive the cancer cells towards cell cycle arrest and cell death ." . "GNE-616 is an arylsulfonamide class voltage gated sodium channel inhibitor that is selective for the Nav1.7 isoform . This class of inhibitors are channel blockers that bind to the fourth voltage sensing domain (VSD4) of the channel and lock it into the inactivated state . Nav1.7 is a mechanistic target that is being pursued for the treatment of chronic pain ." . "Smo receptor agonist" . "Compound 4.35 is a selective inhibitor of CDKs 2, 5 and 9 . It was designed for potential anti-lymphoma activity. Its cytotoxic effects on lymphoma cell lines are achieved via promotion of apoptosis. The co-crystal structure of 4.35 bound to CDK2/cyclin A2 has been submitted to the PBD with ID 6GVA and this shows that the ligand binds to the kinase active site." . "GSK065 (a.k.a. GSK3335065) was a clinical lead kynurenine-3-monooxygenase (KMO) inhibitor that was developed for potential to treat acute pancreatitis multiple organ dysfunction syndrome (AP-MODS) . It was designed to be administered intravenously. The intention of inhibiting KMO is to return AP-MODS-associated elevation in 3-hydroxykynurenine levels to the normal range, so as to reduce acute pancreatitis-induced organ damage. GSK065 was developed though a partnership between the University of Edinburgh's Centre for Inflammation Research and GSK's Discovery Partnerships with Academia programme." . "Ulinastatin is considered to be a metabolite of inter-α-trypsin inhibitor (ITI) that is one of the cleavage products from the AMBP precursor protein . Compared to full length ITI, ulinastatin lacks the carboxyterminal RFSN amino acids. Functionally ulinastatin is a protease inhibitor, that plays an important role in physiological and pathological processes, and has notable anti-inflammatory activity . It can be purified from healthy human urine or produced using recombinant technology." . "AZD7451 is a pan tropomyosin receptor kinase (TRK; also know as neurotrophic receptor tyrosine kinases or NTRKs) inhibitor . It reached Phase 1 clinical development for anticancer potential, but the programme was discontinued. It was designed for the treatment of tumours that express oncogenic NTRK fusions . The chemical structure of AZD7451 is identical to that which was submitted to the WHO for the INN utatrectinib (proposed INN list 126, Jan 2022)." . "RG-1530 is an orally active multikinase inhibitor, with a high affinity for polo like kinase 4 (PLK4). Its PLK4 inhibitory action was expoited for antiproliferative potential . PLK4 is expressed at very low levels in normal cells, but its expression can be upregulated in cancer cells where it localises to the centriole and is essential for controlling centriole duplication and mitotic progression. This makes PLK4 an ideal target for disrupting mitosis in cancer cells." . "We show the compound without specified stereochemistry to represent racemic abscisic acid. The (1S)- or (+)-enantiomer (PubChem CID 12305886), is the naturally occurring and more active form of abscisic acid.
Abscisic acid activates human granulocytes and stimulates insulin secretion by human and murine pancreatic β cells , via similar signalling pathways, that require a LANCL2-containing protein complex linked to a Gi protein, that ultimately leads to elevation of the intracellular Ca2+ concentration . In cellular and animal models abscisic acid exerts anti-inflammatory and antidiabetic effects." . "TAK-925 is a selective orexin 2 receptor agonist. We drew the structure form the image presented in . This maps to the INN danavorexton via PubChem." . "BT-11 is an orally active anti-inflammatory agent that operates as a LANCL2 pathway activator . It is being developed by Landos Biopharma, and is Example 1 as claimed in patent US9556146B2 . The physicochemical properties of BT-11 suggest that it may offer a drug with minimal systemic distribution, and be more suited to local action in the acidic environment of the gut." . "NSC61610 is a LANCL2 modulator that was discovered using high-throughput, structure-based virtual screening . It has a poor drug-like profile, passing only one of the six Lipinski-like filters. was designed as an improved version of NSC61610 (it passes three of the Lipinski rules)." . "Compound 2q is a PI3Kδ selective inhibitor . It is one of the chemical structures that is claimed in Merck and Shanghai Chempartners' patent US20150353552A1 ." . "XY101 is a potent, selective, and orally active retinoic acid receptor-related orphan receptor γ (RORγ) inverse agonist . It was developed as a potential drug for the treatment of castration-resistant prostate cancer (CRPC). RORγ directly stimulates transcription of the androgen receptor (AR) gene, and hence increases AR expression. As proof of concept, RORγ inverse agonists have been shown to reduce expression and activity of ARs that are active in CRPC, and thereby to decrease tumour growth and metastasis ." . "DS21360717 is a potent inhibitor of FER tyrosine kinase . It was designed by Daiichi Sankyo to inhibit protumourigenic activity of FER as a novel anticancer therapy. It was discovered through high-throughput screening, scaffold hopping and SAR-based chemical modification." . "Avapritinib (BLU-285) was developed by Blueprint Medicines as an oral precision therapy to selectively and potently inhibit KIT and PDGFRA mutant kinases . It is a Type I kinase inhibitor that binds the active kinase conformation. Avapritinib binds to the 'switch pocket' of KIT, a domain that regulates the enzyme's catalytic conformation. Compounds that act in this way are often referred to as switch control inhibitors . Another such switch control inhibitor is ." . "Stanozolol is a synthetic, orally active steroid that has anabolic and androgenic properties . Chemically, it is a 17α-alkylated derivative of . It has low binding affinity for the androgen receptor, but is a strong activator of androgen receptor-induced protein synthesis and erythropoietin production ." . "Namilumab (AMG203, MT203) is an IgG1κ anti-macrophage colony-stimulating factor (GM-CSF; CSF2) monoclonal antibody . It is being developed by Micromet and Nycomed for the treatment of autoimmune and chronic inflammatory diseases.
Peptide sequences and structural information for this antibody are available from its IMGT/mAb-DB entry." . "Compound 20 was rationally designed as a potent, selective and orally active TTK protein kinase inhibitor with single agent efficacy against triple negative breast cancer cells . The pyrrolopyrimidine core of 20 interacts with residues within TTK's ATP binding pocket, and it forms three hydrogen bonds to the hinge region. The ligand/TTK co-crystal structure has been submitted to the PDB and has ID 6N6O." . "[3H]T-516 is a tritium-labelled OX2R agonist . Its chemical structure is similar to that of ." . "Compound 14 is reported as a triple inhibitor of the multi-drug resistance-associated transporters ABCC1, ABCB1 and ABCG2 . This compound has a thienopyrimidine scaffold that has not previously been associated with ABCC1 inhibition." . "NC1 is reported as an allosteric inhibitor of tyrosine phosphatase PTPN22 . The binding mode of NC1 is noncompetitive. Its binding restricts the closure of the phosphatase's catalytic WPD-loop, and simultaneously binds to a second PTPN22-specific pocket which determines its selectivity for PTPN22 compared to other phosphatases." . "I-C11 is an inhibitor of the PTPN22 tyrosine phosphatase . It binds both the active (orthosteric) site and an allosteric, PTPN22 unique site (S35TKYKADK42) that confers selectivity. The chemical structure for I-C11 is claimed in patent WO2009049098A2 ." . "NBI-34041 is a corticotropin releasing factor-1 (CRF-1) receptor antagonist ." . "ONO-2333MS is an orally active corticotropin releasing factor-1 (CRF-1) receptor antagonist ." . "CP-316,311 is an orally active, small molecule corticotropin releasing factor-1 (CRF-1) receptor antagonist ." . "Verucerfont (NBI-77860 or GSK561679) is an orally available, brain penetrant and selective corticotropin releasing factor-1 (CRF-1) receptor antagonist ." . "Pexacerfont (BMS-562086) is an orally active corticotropin releasing factor-1 (CRF-1) receptor antagonist ." . "CPN-267 is a Neuromedin U receptor 1 (NMUR1) selective agonist . It is a hexapeptide based on the C-terminal core peptide of human neuromedin U. α-methylation of the Trp residue at position 3 improves the peptide's agonistic activity and its selectivity for NMUR1." . "NY0116 is a small-molecule neuromedin U receptor agonist with selectivity for the NMU2 receptor (NMUR2) ." . "MK-7145 is a Kir1.1 (ROMK) inhibitor that was designed as a novel diuretic . The chemical structure is claimed as example 2A in patent WO2010129379 ." . "ARS-1620 was designed to target mutated KRASG12C in cancer . It binds covalently to GDP-bound KRASG12C and traps it in the inactive conformation. Structurally ARS-1620 is the S-atropisomer. It represents a pharmacological tool that is suitable for use in in vitro and in vivo experiments to further explore KRAS dependency in KRAS mutant cancers. The chemical structure is claimed in Araxes Pharma's patent US9840516B2" . "T.14 is a dual action compound that acts as an inhibitor of VEGFR2 (KDR) and the PD-L1 protein . Functionally it has antiangiogenic and immunomodulator actions, that are indicative of experimental anti-tumour potential." . "Celastrol is a plant-derived (from Tripterygium wilfordi, the Thunder god vine) natural product that has antioxidant, anti-inflammatory and anti-obesity effects . It has been reported as an inhibitor of RGS17 ." . "TAK-632 is a pan-RAF kinase inhibitor . It binds human BRAF in the DFG-out conformation. TAK-632 inhibits RIPK1/3-induced necrosome formation and necroptosis, and this action was shown to be mediated by direct ligand interaction with RIPK1 and RIPK3 (and inhibition of their kinase activities) ." . "SZM594 is a dual RIPK1/RIPK3 inhibitor that blocks necroptosis ." . "Compound 18 is a type II DFG-out RIPK3 inhibitor . It was identified by a team in Bristol-Myers Squibb Research & Development laboratories." . "JMS-17-2 is CX3CR1 (fractalkine receptor) antagonist that was developed as a tool compound to evaluate the oncological potential of antagonising the CX3CR1 pathway . Experimental evidence indicates that CX3CR1 has prometastatic activity in tumour cells, particulary in breast cancer cells. JMS-17-2 was developed to antagonise this action, to reduce metastatic seeding of circulating cancer cells to secondary tissues and reduce progression of established metastases. The compound is active, as the hydrochloride, in vitro and in vivo. It is one of the structures claimed in patent WO2012078633 ." . "AQ-13 is a 4-aminoquinoline antimalarial compound related to .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Tebuquine is a 4-aminoquinoline antimalarial compound." . "NPC1161B is a next-generation lead compound for the 8-aminoquinoline class of antimalarial compounds. It is the (-)-enantiomer of NPC1161C .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Compound 3l is a potent and selective nonpeptide β-secretase 2 (BACE2) inhibitor . It is one of the compounds claimed in patent US9512099 for use in the treatment of Alzheimer's disease or type 2 diabetes ." . "JPC-3210 has been identified as the lead for the 2-aminomethylphenol class of compounds and demonstrates promising antimalarial activity .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Naphthoquine is a 4-aminoquinoline antimalarial compound.
The marketed formulations contain naphthoquine phosphate (PubChem CID 9851774).

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Arteflene is a synthetic endoperoxide with antimalarial activity. It is derived from yingzhaosu A, a phytochemical endoperoxide isolated from A. uncinatus and structurally unrelated to the artemisinins .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Compound 5 is the lead identified from a target-based approach to develop new compounds with antimalarial activity .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "CDRI-97/78 is a novel trioxane peroxide with promising antimalarial activity . It is a simplified analogue of and retains the crucial endoperoxide bridge." . "GS-444217 is an orally active and selective inhibitor of apoptosis signal-regulating kinase 1 (ASK1; MAP3K5) that was designed by Gilead Sciences. It has anti-fibrotic activity that is mediated via downstream inhibition of p38 MAP kinase pathway activation ." . "This compound has been reported as a selective inhibitor of phosphodiesterase 4 (PDE4) . Chemically this compound is a synthetic tetrahydro-isoquinoline analogue of the naturally occurring plant alkaloid berberine (PubChem CID 2353)." . "Compound 42 is reported as a selective inhibitor of receptor-interacting protein kinase 3 (RIPK3), that exhibits potent antinecroptotic activity in vitro, and significant anti-inflammatory action in vivo . Structurally it is a derivative of ." . "This compound is reported as a potent, selective and orally active inhibitor of sterile alpha motif and leucine zipper containing kinase (ZAK) . It exhibits predicted antihypertrophic cardiomyopathy (HCM) efficacy in vivo in a spontaneous hypertensive rat (SHR) model." . "Compound 21b is reported as a non-selective inhibitor of AP2 associated kinase 1 (AAK1) , a kinase that is involved in protein trafficking in endocytic membranes via regulation of subunits within the AP2 adaptor complex. The host AP2 complex is expoited by viruses to enable host cell infection and viral assembly . Host AAK1 is required for the life cycles of Flaviviridae family viruses, including the Dengue and Ebola viruses , making AAK1 a potential drug target for the development of broad-spectrun anti-viral agents ." . "Trequinsin is a nonselective phosphodiesterase inhibitor that produces an antihypertensive vasodilator effect in vivo . It also inhibits induced platelet aggregation in vitro " . "Zilucoplan (RA101495) is a synthetic, macrocyclic peptide that blocks the cleavage of complement C5 into C5a and C5b which occurs as a consequence of activation of the classical, alternative, or lectin pathways. This mechanism of action inhibits formation of the membrane attack complex (MAC). It was developed by RaPharma for the treatment of tissue-based complement-mediated disorders." . "BAY-8002 inhibits lactate transport via the monocarboxylate transporter 1 (MCT1: SLC16A1) . [3H]-BAY-8002 binds to MCT1 with a Kd of 7.9 nM." . "OD36-induced inhibition of RIPK2 produces anti-inflammatory activity in animal models of inflammatory bowel conditions ." . "Albitiazolium was the clinical lead from the bisthiazolium series, a novel class of choline analogue with potent antimalarial activity .
We display the structure of the parent compound, with PubChem and ChEMBL links provided in the table below. However, the INN-assigned compound is in complex with bromide (represented in PubChem CID 11377022) and this compound is used in the experimental data listed under the 'biological activity' tab.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Bremelanotide is a stabilised, cyclic derivative of αMSH. Although it exhibits little selectivity across the melanocortin receptor family (with the exception of MC2, the ACTH receptor), bremelanotide's ability to increase female sexual arousal/desire is attributed primarily to agonist activity at the MC3 and MC4 receptors ." . "KZR-616 is a first-in-class, selective and irreversible immunoproteasome inhibitor that results in anti-inflammatory activity in vitro and models of inflammatory conditions. It is a tripeptide epoxyketone-based molecule. At the molecular level KZR-616 inhibits the proteolytic activities of the low molecular mass polypeptide-7 (LMP7, a.k.a. proteasome subunit β8) and low molecular mass polypeptide-2 (LMP2, a.k.a. proteasome subunit β9) subunits of the 20S immunoproteasome complex . Inhibition of a secondary immunoproteasome subunit, in this case LMP2 is required to achieve a multicytokine inhibitory effect." . "MK-4815 is a small molecule with promising antimalarial activity .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "GSK369796 is a 4-aminoquinoline antimalarial compound that was synthesised using as the template molecule .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Tigemonam is a monobactam antibacterial . It has Gram-positive activity, and is stable against β-lactamases, but has no activity against Psedomonas. SQ-30836 (tigemonam dicholate) is an orally absorbed salt of tigemonam ." . "RSLV-132 is a fully human biologic fusion protein that is comprised of human RNase fused to the Fc domain of human IgG1 . The peptide sequence of RSLV-132 has not yet been formally disclosed." . "This is an orally active RIPK2 inhibitor phosphate ester prodrug . It is rapidly cleaved by alkaline phosphatases on contact with intestinal tissue and in whole blood. The prodrug formulation was designed to limit systemic exposure, and to focus activity at the preferred site of action in gut tissue.
A crystal structure of RIPK2 in complex with inhibitor 3 has been submitted to the PDB with ID 6RN8." . "Bulaquine is an 8-aminoquinoline derivative that has antimalarial activity and is a synthetic analogue of .
The INN record for bulaquine indicates that it is a racemic mixture.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "PA21A092 is a preclinical candidate for the pyrazoleamides, a novel class of antimalarial compounds .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Inhibitor 3 is a selectve and potent inhibitor of the Rho-associated kinases, ROCK1 and ROCK2. The chemical structure presented here was drawn from Cantoni et al., 2019 . PubChem CID 46182713 presents the compound without specified stereochemistry." . "GSK2239633A is a arylsulfonamide class CC-chemokine receptor 4 (CCR4) antagonist. It binds the intracellular domain of the receptor, and therefore has an allosteric mode of action ." . "Compound 31 is a selective antagonist of CCR4 ." . "Compound 49c is a hydroxyl-ethyl-amine-based scaffold compound with antimalarial activity . We have drawn the structure as depicted in Pino et al. (2017) , with the indicated stereochemistry (but note that the IUPAC they provide is for the flat structure that is represented by PubChem CID 11619556).

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "This compound is a selective inhibitor of receptor interacting serine/threonine kinase 2 (RIPK2) . It is the active metabolite of the phosphate ester prodrug ." . "κM-conotoxin RIIIK was isolated from Conus radiatus. It is a Kv1.2 channel blocker . The peptide sequence was obtained from ." . "CHMFL-KIT-64 is a potent and orally available inhibitor of wild-type c-KIT and a range of known c-KIT resistance mutants . It has demonstrated anti-tumour efficacy in vitro, in mouse xenograft models, and against imatinib-resistant patient tumour cells expressing wild-type c-KIT. It has been proposed as a potential clinical lead for gastrointestinal stromal tumour (GIST) therapy as the majority (80-85%) of GISTs harbour c-KIT activation mutations. Other c-KIT mutations confer primary or secondary (acquired) resistance to which is the first line drug used to combat GISTs. CHMFL-KIT-64 was designed to target mutations that are refractory to currently approved therapeutics including imatinib, and . It can potently inhibit the T670I ATP binding pocket (gatekeeper) mutant that is resistant to many other c-KIT inhibitors." . "AM237 is a potent and selective TRPC5 channel activator . It is an analogue of the TRPC1/4/5 channel inhibitor . Whilst AM237 activates homomeric TRPC5 channels it inhibits other TRPC1/4/5 channels, and is proposed as a useful chemical tool to help investigate TRPC1/4/5 channel composition and the biological functions of specific channels in different cells and/or tissues. It is orally bioavailable and suitable for in vivo studies. AM237 is one of the xanthine derivatives claimed in patent WO2014143799A2 ." . "Fezolinetant (ESN364) is a potent and selective neurokinin (NK) receptor 3 antagonist . It is being developed by Astellas Pharma as a non-hormonal therapeutic option for the treatment of sex-hormone disorders such as polycystic ovary syndrome and uterine fibroids, and for the management of the vasomotor symptoms that drive menopausal hot flashes ." . "Ripasudil is an isoquinoline class Rho-associated kinase (ROCK) inhibitor . We present the parent molecule here. The hydrochloride dihydrate is referred to using the research code K-115 (see PubChem CID 11625386)." . "A dipeptide probe that can be radiolabelled with the [19F] isotope to study peptide transporters . Alternate probes were tested in this study by Arakawa et al. (2020). The L-phenylalanyl-ψ[CS-N]-L-alanine dipeptide backbone is resistant to cleavage by peptidases." . "PF-06873600 is claimed as example 10 in patent WO2018033815. It is an orally bioavailable CDK2/4/6 inhibitor with antineoplastic potential ." . "Basmisanil (RG1662) is a small molecule negative allosteric modulator that is selective for gamma-aminobutyric acid (GABA) A receptors alpha 5, GABRA5, which are expressed in discrete brain regions that are associated with cognitive processing . It has been proposed for rescuing learning/memory deficits in individuals with intellectual disabilities such as those associated with Down syndrome . RG1662 has also been described as an inverse agonist of the α5subunit-containing GABAA receptors." . "Compound 25 is a potent, selective and reversible inhibitor of Bruton's tyrosine kinase (BTK) . It is built on a 4-aminoquinoline scaffold, and has improved drug-like properties (aqueous solubility, potency and stability) compared to previously reported cinnoline scaffold compounds ." . "J30-8 is a selective JNK3 (a.k.a. mitogen-activated protein kinase 10; MAPK10) inhibitor. It is the most potent inhibitor from a series of compounds reported by Dou et al. (2019) that were identified using structure-based virtual, similarity and SAR screening stages . JNK3 has been proposed as the primary kinase that is responsible for phosphorylating Aβ precursor protein (APP) at Thr668, which leads to accelerated Aβ formation and elevated plaque burden . Pharmacological inhibition of JNK3 is therefore being explored as a novel modality for the treatment of Alzheimer's and other neurodegenerative diseases. J30-8 provides a suitable in vitro and in vivo tool to further study JNK3's role in these pathological conditions." . "Compound 33 is a biomimetic (of pepstatin A), macrocyclic inhibitor of cathepsin D . Cathepsin D inhibitors are being examined as novel tools for regulation of this target for application in oncology . Compound 33 has improved selectivity, solubility and permeability compared to the naturally occurring cathepsin D inhibitor, pepstatin A ." . "E-52862 is a σ1 receptor antagonist . It has been shown to exert dose-dependent antinociceptive effects in several neuropathic pain models." . "Deucravacitinib (BMS-986165) is a selective, orally active, allosteric inhibitor of the Janus kinase family enzyme, tyrosine kinase 2 (TYK2) . The deuteromethyl amide group confers selectivity by virtue of binding to a pocket in the TYK2 JH2 pseudokinase domain." . "Compound 5a is a carbonic anhydrase inhibitor . It is the parent molecule of , which has a carbon monoxide (CO) releasing molecule (CORM) attached via a linker." . "Compound 5b is a hybrid molecule that contains carbonic anhydrase inhibitor , attached to a carbon monoxide (CO) releasing molecule (CORM) ." . "Compound 10a is the most potent in a series of molecules designed to identify novel selective Toll-like receptor 7 (TLR7) antagonists ." . "Compound E22 is a pan-Akt (protein kinase B) inhibitor that was designed to combine anti-tumour efficacy with favourable drug-like properties ." . "Compound 24 is reported as a selective, potent and orally active inhibitor of 17β-HSD2 (HSD17B2) .
It effectively preserves bone structure in a rat model of ovariectomy-induced osteoporosis." . "Darolutamide is a nonsteroidal, potent and selective antagonist of the androgen receptor (antiandrogen) . It is able to overcome resistance to current nonsteroidal androgen receptor-targeted therapies ( and ). Darolutamide was developed by Orion and Bayer HealthCare." . "MS48107 is a potent and selective positive allosteric modulator (PAM) of the proton-sensing orphan GPCR, GPR68 . It was discovered via a SAR study based on the scaffold of the first reported GPR68 PAM, . MS48107 allosterically increases proton affinity (α-cooperativity) for GPR68. The compound is bioavailable and brain-penetrant in mice, and these attributes in conjunction with its selectivity presents a novel in vitro and in vivo tool that is suitable for investigating the physiological and pathophysiological roles of GPR68." . "Compound 5d is a potent, 4-methylquinazoline-based pan-PI3K inhibitor . It is one of the examples claimed in patent WO2018121550A1 from the Institute of Pharmaceutical Research, Chinese Academy of Medical Sciences ." . "UDM-001651 is a potent, selective, and orally bioavailable antagonist of protease-activated receptor 4 (PAR4) . It was used to validate PAR4 antagonism as a potential antithrombotic mechanism, and is a suitable tool to further this proposed utility. Based on the chemical structure ChEMBL has activity data for this compound that has been extracted from patent WO2013163279A1 from Bristol-Myers Squibb and the Université de Montréal ." . "Compound 10 is a modulator of adenosine receptor (AR) activity. It acts as a dual adenosine A1R inverse agonist/A2A/2BR antagonist . The compound exhibits favourable half-life values in rat and human plasma (≥240 min in both species) and is orally bioavailable." . "LIT-001 is a non-peptide oxytocin (OT) receptor agonist . The compound is proposed as being brain penetrant and to be active in vivo by intraperitoneal injection in mice. OT receptor agonists are predicted to promote prosocial effects in neurological conditions such as autism spectrum disorders (ASD), where interaction deficits are prevalent. LIT-001 provides an in vivo pharmacological tool compound that is suitable for furthering the study of the effects of OT receptor agonism in autism. The primary reference for LIT-001 by Frantz et al. defines the molecule as the S isomer (and as the trifluoroacetate salt) . We display the free base here." . "Compound 23 the most potent inhibitor of the bromodomain-containing enzyme ATAD2 to be identified using a specially designed high-throughput screening and hit qualification process . The compound exhibits a novel binding mode for bromodomain inhibitors that includes displacement of all of the conserved water molecules, and formation of a halogen-bonding interaction, within the active site." . "Avitriptan (BMS-180048) is a serotonin receptor agonist with selectivity for the 5-HT1D and 5-HT1B subtypes . It was investigated as an anti-mirgaine agent in the late 1990s but never reached the market." . "LUF7244 is a negative allosteric modulator (NAM) of orthosteric ligand binding to the hERG channel (Kv11.1) . It was used to test the hypothesis that hERG NAMs might be able to counteract the proarrhythmic effects of hERG-blocking drugs. Using as a known hERG orthosteric channel blocker, LUF7244 has been shown to protect against dofetilide‐induced early after depolarizations (EADs) in vitro and dofetilide‐induced TdP arrhythmia in vivo . It has been proposed that hERG NAMs might find therapeutic potential to alleviate long QTs caused by hERG-blocking drugs, and/or to treat patients with congential long QT syndromes that are associated with Kv11.1 and Kv7.1 channels." . "Compound 9 is an example of a new chemotype (with a cyclic enaminone structural scaffold) for selective COX2 inhibitors (COXIBs) . It is hoped that this new chemotype will be devoid of the side effects related to the sulfonamide/sulfonate group common in existing COXIB drugs, and thus lead the way to overcoming the adverse cardiovascular effects that have led to the withdrawl of some existing COXIBs from use in the clinic ( and )." . "Example 4 is a highly potent, small-molecule inhibitor of the PD-1/PD-L1 interaction that is claimed in patent WO2017202275A1 ." . "Compound 7 selectively inhibits αVβ6 integrin-mediated cell adhesion . It was discovered in a medicinal chemistry effort to rationally design improved therapeutics for idiopathic pulmonary fibrosis (IPF).
Docking studies indicate that compound 7 binds in a pocket formed at the interface of the α and β integrin subunits. Since compound 7 is selective for β6-containing αV integrins we have recorded the binding data against the various β subunits tested, to make comparisons clearer." . "ME1228 is a parenteral cephalosporin antibacterial . It is sensitive to hydrolysis by TEM-3 and Xanthomonas maltophilia β-lactamases." . "BPN14770 is reported as a selective allosteric inhibitor of phosphodiesterase 4D (PDE4D) . BPN14770 achieves isotype selectivity by binding to a single amino acid difference on the UCR2 regulatory domain of PDE4D that controls access of cAMP substrate to the enzyme's catalytic site. Dimeric isoforms of PDE4D appear to be important for normal brain function , with abnormally/inappropriately active isoform dimers being associated with intellectual disability ." . "NMRA-140 (formerly BTRX-335140, a.k.a. CYM-53093) is a selective κ opioid receptor antagonist . It has favourable drug-like properties in preclinical models, and is being proposed as a potential therapeutic for migraine , stress-related mood disorders (including depression), anxiety, and drug abuse. Neumora Therapeutics acquired BTRX-335140 in their buyout of Blackthorn Therapeutics." . "CR4056 is reported to bind imidazoline-binding sites known as imidazoline receptor I2 . It was developed by Rottapharm Biotech and is being pursued as a novel analgesic for inflammatory and neuropathic pain . Potential for efficacy in humans has been demonstrated in rodent models of nociceptive and neuropathic pain. To date (August 2019) clinical efficacy from a proof-of-concept study in patients with knee osteoarthritis pain has only been reported in meeting abstract form (see Rovati et al. Abstract Number: 1193, 2017 ACR/ARHP Annual Meeting). The associated trial registry number is EudraCT 2015-001136-37." . "Ulotaront (SEP-363856) is an orally active and brain-penetrant psychotropic agent with a novel mechanism of action. It acts as a trace amine-associated receptor 1 (TAAR1) agonist with additional 5-HT1A receptor agonist activity, and agonism at both of these receptors appears to be required for its clinical effects . SEP-363856 is being developed by Sunovion Pharmaceuticals and PsychoGenics, and was granted FDA Breakthrough Therapy Designation as an anti-schizophrenia therapeutic in May 2019. The lack of D2 receptor activity distinguishes SEP-363856 from current antipsychotic medications.
In the Dedic et al. article from 2019 SEP-363856 refers to the hydrochloride salt. We show the parent molecule here. This S enantiomer is more active at TAAR1 compared to the R stereoenantiomer ." . "CCT365623 is an experimental aminomethylenethiophene type dual LOX/LOXL2 inhibitor. Orally administered CCT365623 mediates anti-tumour and anti-metastatic effects in vivo ." . "Ractopamine exhibits agonist activity at the trace amine receptor 1 (TA1) and β-adrenoceptors .

In some countries ractopamine is used as a feed additive in commercial livestock husbandry to increase lean meat mass. This use is banned in the EU and many other countries, but is permitted in countries including the US, Canada, Mexico, Japan and South Korea. Ractopamine's effect on human physiology has not been fully characterised, so the safety of consuming trace ractopamine in meat from treated animals remains controversial.

Commercially used ractopamine is administered as the hydrochloride salt and is a racemic mixture of all 4 possible stereoenantiomers. We show the structure without specified stereochemistry to represent the mixture." . "Zorifertinib (AZD3759) is an investigational EGFR tyrosine kinase inhibitor . It is potent, orally active and brain-penetrant. AZD3759 was designed to target brain metastases in patients with advanced EGFR-driven lung cancer." . "Remibrutinib (LOU064) is one of the examples claimed in Novartis' patent WO2015079417A1 , for novel amino pyrimidine derivatives that act as Bruton's tyrosine kinase (BTK) inhibitors and which claims their potential to treat autoimmune disorders, inflammatory/allergic diseases, transplant rejection and cancers of hematopoietic origin or solid tumours. The formal chemical name (LOU064; remibrutinib) to structure disclosure was published in February 2020 . LOU064 is a covalent BTK inhibitor that binds the inactive conformation of the enzyme. This improves its selectivity compared to currently marketed covalent BTK inhibitors, and renders it more suitable for use in non-oncology indications." . "Izencitinib (TD-1473) is described as a Janus kinase (JAK) inhibitor in INN proposed list 121 (of August 2019). It is example 1 in Theravance Biopharma's patent that claims JAK inhibitors for immunomodulatory potential . Despite this 2020 article that describes preclinical development and early clinical evaluation of TD-1473 , the chemical structure remains undisclosed. TD-1473 is orally delivered, and was designed to be gut-selective in its action, for application in inflammatory bowel diseases." . "JNJ303 is a selective blocker of the Kv7.1 current ." . "Brepocitinib (PF-06700841) is a dual Janus kinase 1 (JAK1) and TYK2 inhibitor . It is proposed for treating autoimmune and other inflammatory conditions. Brepocitinib is a Type 1 ATP site inhibitor." . "Pamufetinib (TAS-115) is a dual MET/VEGFR2(KDR) receptor tyrosine kinase inhibitor . It was designed by Taiho Pharmaceutical as a potential anticancer drug . It is a Type 1 ATP competitive inhibitor." . "Fadraciclib (CYC065) is a cyclin-dependent kinase 2 and 9 inhibitor that is claimed as compound [1] in patent WO2008122767A2 . Structurally CYC065 is a derivative of (CYC202). It was developed by Cyclacel for potential to treat proliferative disorders including cancer, leukemia and psoriasis." . "Imnopitant (compound 20) is a neurokinin NK1 receptor antagonist that was identified in the same SAR study as and ." . "Milategrast (example 9) is claimed in Esai Co.'s patent US20050261291A1 as the hydrochloride salt . The chemical structures in this patent are claimed for their potential to treat inflammatory and autoimmune diseases that are associated with adhesion and infiltration of leukocytes (e.g. inflammatory bowel disease, rheumatoid arthritis, psoriasis, multiple sclerosis, asthma and atopic dermatitis). We show just the parent molecule. In INN proposed list 121 (August 2019) milategrast is described as a non-steroidal anti-inflammatory agent. Review of Esai's epipeline document and other online reports suggests that this might the agent with development code E6007. The association between example 9, E6007 and milategrast is speculative, provided in good faith, and will only be confirmed by open publication of name-to-structure by Esai." . "Elsubrutinib (example #30 (S) [WO2014210255A1]) is the (S) stereoenantiomer of example #30 from Abbvie's patent WO2014210255A1 which claims BTK inhibitors for their potential to treat immunological and oncological conditions . Example #30 (S) could be ABBV-105, an Abbvie BTK inhibitor that is being evaluated in combination with (ABT-494, a JAK1 inhibitor) in patients with rheumatoid arthritis or systemic lupus erythematosus (the combination is coded ABBV-599). Although preclinical efficacy has been reported , the structure of ABBV-105 has not been formally disclosed, so the name-to-structure alluded to here is speculative and provided in good faith." . "E209 is a fully synthetic tetraoxane analogue with potent antimalarial activity .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Linperlisib (YY-20394) is a PI3Kδ inhibitor claimed by Shanghai Yingli Pharmaceutical Company in their patent US20160244432A1 (as compound 10) ." . "Mevociclib (SY-1365) is a cyclin-dependent kinase 7 (CDK7) inhibtor that is claimed in Syros Pharmaceuticals' patent WO2015154039A2 . It is being developed for potential to treat proliferative diseases. SY-1365 is a structural analogue of , and it covalently binds to the same cysteine residue located outside of the canonical kinase domain at which THZ1 binds." . "Herringtom et al. (2011) stipulates that RY785 is the (R) enantiomer, and RY796 is the (S) enantiomer ." . "Mobocertinib (TAK-788) is an oral EGFR/HER2 tyrosine kinase inhibitor that is claimed in Ariad Pharmaceuticals' patent WO2015195228A1 . It inhibits EGFR and HER2 with activating/resistance mutations, including rare EGFR Ins20 (exon 20 insertion) resistance mutations and was progressed by Takeda Pharmaceuticals as an advanced therapy for metastatic NSCLC with this exon 20 insertion ." . "COVA322 is a bispecific TNF/IL-17A inhibitor that was designed by Covagen for the treatment of inflammatory diseases including psoriasis, psoriatic arthritis, and rheumatoid arthritis . Structurally COVA322 is a fusion protein containing an antibody that binds to TNF (in this case the light chain of ) and a Fyn SH3-derived protein (Fynomer) that binds to IL-17A . The fusion protein was produced in transiently transfected Chinese hamster ovary (CHO) cells. COVA322 was able to simultaneously bind TNF and IL-17A.
Clinical development of COVA322 was discontinued due to an unacceptable safety profile that was detected in Phase 1 trial." . "In in vitro binding assays, (R)-mepenzolate has a higher affinity for the human M2 and M3 muscarinic acetylcholine receptors than (S)-mepenzolate ." . "LY3303560 is a monoclonal antibody that selectively targets tau protein aggregates . It is being developed by Eli Lilly for potential to treat Alzheimer's disease. The primary epitope for LY3303560 is located in the N-terminal region of tau." . "NSC80734 is a small molecule protein-protein interaction inhibitor that disrupts human IL-18 binding to the ectromelia virus IL-18 binding protein (IL-18BP) . IL-18BP acts as endogenous antagonist of IL-18 activity. By sequestering circulating IL-18 it modulates the amount of free IL-18 able to activate its receptor and downstream signalling cascade. NSC80734 binds in to the interaction site on IL-18 that engages IL-18BP, and thus it acts as an IL-18BP mimetic." . "Pegdinetanib (BMS-844203) was a clinical lead vascular endothelial growth factor receptor 2 (VEGFR2) inhibitor. It is an engineered, affinity-matured peptide derived from human fibronectin type III (FN3: residues 1424-1516) that binds to VEGFR2 . The peptide is conjugated with polyethylene glycol (PEG) to increase its molecular size above the threshold for kidney-mediated clearance, and this effectively extends its circulating half-life . Pegdinetanib was investigated for anti-angiogenic activity and its potential to inhibit vascularisation in tumours . Pegdinetanib is an example of a peptide-based therapeutic that has utilised a novel scaffold (FN3) as an alternative to antigen receptors (antibodies).
Note that the PubChem CID for pegdinetanib (86278317) represents only the PEG moiety and not the entire peptide conjugate." . "Mitapivat (AG-348) is a first-in-class, small molecule allosteric activator of the pyruvate kinases. It activates the PK isoform that is found in erythrocytes (PKR protein that is expressed from the PKLR gene) and the embryonic PKM2 isoform (expressed from the PKM gene) that is only expressed by cancer cells in adult tissues. Mitapivat was developed by Agios Pharmaceuticals as a novel therapy for diseases of red blood cells that are associated with inherited PKR deficiency , and for potential in cancer therapy via activation of PKM2. Activation of PK in red cells increases hemoglobin levels . The active drug is the sulfate hydrate (PubChem CID 134693700). We show the structure for the parent molecule as described by its INN." . "Belizatinib (TSR-011) is an inhibitor of anaplastic lymphoma kinase (ALK) . It is reported as being potent, selective, and orally bioavailable, and was designed by Tesaro for potential anti-tumour activity." . "CS2164 is a multi-target kinase inhibitor that exerts anti-angiogenic, anti-mitotic and anti-inflammatory effects that mediate anti-tumour activity . Via inhibition of Aurora B CS2164 mediates inhibition of histone 3 (H3) phosphorylation which is associated with cell cycle arrest. CS2164 was developed by Chipscreen Biosciences and is claimed in their patent US20100298358A1 . CS2164's chemical structure is an axact match for the INN 'ibcasertib' which was released in the WHO's proposed INN list 127 on 21 July 2022." . "KB-5246 is a tetracyclic quinolone antibacterial This structure represents the KB-5246 parent molecule. Experimental evidence may relate to the hydrochloride." . "Telatinib (BAY-579352) is an orally available VEGFR2/3 and PDGFRβ receptor tyrosine kinase inhibitor that exhibits potent anti-angiogenic activity which translates to anti-tumour efficacy in vitro and in vivo. The chemical structure of telatinib is claimed in Bayer's patent WO2001023375A2 (as example 14) ." . "Furmonertinib (AST2818; alflutinib) is a receptor tyrosine kinase inhibitor that targets mutant forms of the EGFR more effectively than the wild type receptor kinase, with notable potency vs. the T790M resistance mutation. It has an irreversible binding mode. AST2818's chemical structure is claimed as example 3 in Shanghai Allist Pharmaceuticals' patent US10072002B2 . Note that AST2818 is administered clinically as the mesylate." . "Bemcentinib (BGB324, R428) is a potent, selective and orally active AXL receptor tyrosine kinase inhibitor that was discovered by Rigel as R428 and which is being developed by BergenBio for anti-cancer potential ." . "AZD9898 is an orally active inhibitor of leukotriene C4 synthase (LTC4S) that was developed for the treatment of asthma ." . "Compound 21b is an experimental, selective and irreversible inhibitor of LOXL2 that has an aminomethylenethiazole (AMTz) scaffold ." . "BAY-293 (compound 23) inhibits RAS pathway signalling by disrupting the protein-protein interaction between the RAS GTPase and its nucleotide exchange factor SOS1 . This mechanism mediates an antiproliferative effect. It is suitable as a pharmacological tool to investigate the potential of KRAS/SOS1 modulation in treating proliferative diseases, and it is functional for all KRAS variants." . "Compound 1 is a discoidin domain receptor tyrosine kinase 1 (DDR1) inhibitor . Its discovery/design was advanced using a deep learning model named generative tensorial reinforcement learning (GENTRL). Using GENTRL compound 1 was identified in only 21 days." . "Compound 16 is reported as a novel, selective agonist of the class A orphan GPCR, MRGPRX1 . Compound 16 is extensively metabolised in mouse liver microsomes and this probably accounts for the short in vivo half-life (~20 m in) that was observed following intravenous administration in mice." . "Compound 6N is reported as a low nanomolar potency agonist of the nuclear hormone receptor, liver receptor homolog-1 (LRH-1; NR5A2) . It does not exhibit agonist activity at the related receptor, steroidogenic factor 1 (SF-1; NR5A1). LRH-1 has no known endogenous ligand." . "RJW100 is a small-molecule synthetic agonist of the orphan nuclear receptors, liver receptor homolog 1 (hLRH-1; NR5A2) and steroidogenic factor-1 (SF-1; NR5A1) . It has good solubility and stability and is suitable as an experimental tool compound." . "Compound 10g is a potent Kv7.4 and Kv7.5 channel agonist . It does not potentiate activity of Kv7.1 or Kv7.2 channels." . "RA839 is a small molecule that noncovalently interacts with KEAP1 and acts as a selective activator of Nrf2-mediated gene transcription . RA839-induced activation of the Nrf2/ARE pathway is reported to produce an anti-rotaviral effect, via inhibition of rotavirus propagation, in vitro ." . "Compound 10 is small molecule that binds to KEAP1 and prevents its interaction with the Nrf2 transcription factor . It acts as a functional activator of Nrf2-mediated gene transcription. The chemical structure was originally claimed in a Glaxosmithkline/Astex Therapeutics patent ." . "Compound 12b is a novel conformationally restricted, potent mTOR inhibitor . Although it is an ATP-competitive inhibitor, its novel chemical scaffold dictates it selectivity." . "SS-208 is reported as an isotype selective inhibitor of histone deacetylase 6 (HDAC6) . It has been developed for potential to treat advanced melanoma. SS-208 has been designed to provide improved HDAC6 selectivity compared to and which both exhibit unfavourable levels of HDAC1 inhibition.
Selective pharmacological inhibition or genetic abrogation of HDAC6 modulates immune checkpoint activity by downregulating the expression of PD-L1 via the recruitment and activation of STAT3 . The antitumour activity of SS-208 in vivo is primarily mediated by activation of immune cells and an anti-tumour immune response in the tumour microenvironment." . "Sonelokimab (IL17MS3086) is an anti-IL-17A/F single chain camelid nanobody . The peptide sequence for proposed INN sonelokimab is a 100% match for SEQ ID 836 that is claimed in Merck/Ablynx patent WO2012156219A1. IL17MS3086 potently binds to both IL-17A and -F and prevents IL-17R pathway activation (e.g . IL-6 production), and was designed for anti-inflammatory potential. We provide the IL17MS3086 to sonelokimab association in good faith, and await formal disclosure." . "Envafolimab (KN035) is a chimeric (human/camelid) anti-PD-L1 nanobody that acts as an immune checkpoint inhibitor, and which is being developed by Alphamab Co . Structurally it is a VH-Fc dimer, and does not contain variable light (VL) domains. It therefore has a reduced molecular size and offers more favourable physico-chemical properties than full-size monoclonal antibodies. X-ray crystal structures show that KN035 binds to the same surface on PD-L1 where the ligand interacts with its cognate receptor PD-1 (programmed death protein 1).
The peptide sequence of envafolimab's heavy chain returned no matches with patented peptide sequences in a Protein: BLAST search in September 2019." . "Compound 1 is reported as an irreversible inhibitor of the M2 splice form of pyruvate kinase (PKM2) . It targets both the metabolic and oncogenic functions of PKM2 and mediates antitumour effects in vitro and in vivo. The covalent PKM2 binding residues have been identified as Cys317 and Cys326 which are close to the enzyme's substrate-binding site." . "SWE101 is a soluble epoxide hydrolase (sEH; EPHX2) inhibitor that selectively, and competitively targets the enzyme's phosphatase activity . Its structure was developed from the scaffold of the NSAID which exhibits weak sEH-phosphatase inhibitory activity . SWE101 is a tool compound that was designed to aid investigations of the physiological and pathophysiological role of sEH phosphatase activity in vivo." . "CWHM12 is a pan αv integrin antagonist . It was used to determine that αv integrin activation regulates fibrosis in models of organ fibrosis. These findings suggest that targeting all αv integrins may have clinical utility in the treatment of a broad range of fibrotic diseases. The S enantiomer of CWHM12 is the bioactive form; the R enantiomer does not inhibit any of the five αv-containing integrins in vitro.
Structurally, CWHM12 is a small-molecule RGD peptidomimetic antagonist in which the arginine (R) mimetic is a cyclic guanidino-substituted phenyl group and the aspartic acid (D) mimetic is a phenyl-substituted β amino acid. These two residues are linked by a glycine (G)." . "GSK2603566A is a pan αv integrin antagonist . It is orally bioavailable and exhibits anti-fibrotic activity. GSK2603566A was tested as the racemic mixture of enantiomers." . "SLF was the first small molecule synthetic ligand for FKBP51/52 ." . "Compound 8 [PMID: 25898023] is a selective inhibitor of Rho kinase (ROCK) activity that was developed for the treatment of ocular inflammation . In an effort to reduce unintended systemic ROCK-associated side effects and maximise local effects, it was designed to be rapidly converted to an inactive metabolite in the systemic circulation. Compounds of this type are known as 'soft' drugs. Specifically, compound 8 contains an ester group that is hydrolysed by blood esterases to an inactive carboxylic acid metabolite (8M).
Amakem Ophthalmics have a 'soft' ROCK inhibitor AMA0076 that has been shown to reduce intraocular pressure in a rabbit model of glaucoma , and which has completed Phase 2 clinical evaluation in glaucoma/ocular hypertension (NCT01693315). The structure of AMA0076 has not been formally disclosed, but it appears to be derived from the same chemical scaffold as compound 8." . "TRAP-101 is an achiral analogue of the NOP receptor antagonist . Despite its lack of chirality TRAP-101's pharmacological profile is similar to that of J-113397, but it is more easily synthesised." . "NiK-21273 is a NOP receptor antagonist . It has demonstrated antiparkinsonian effects in in vivo models." . "Compound 16 inhibits the cytolytic pore-forming activity of the perforin 1 protein . It has been developed to ascertain whether perforin inhibition can prevent early rejection of mismatched grafts in donor stem cell transplant procedures, and thereby improve successful engraftment. The acting hypothesis is based on the recognition that the natural killer (NK) cells that drive graft rejection overwhelmingly use perforin to kill non-self targets . In addition, as these NK cells are resistant to radio- and immuno-suppression, an alternative mechanism is needed to limit their activity and to achieve clinical efficacy." . "Compound 16i is a pyroglutamide-based antagonist of the P2X7 ligand-gated ion channel ." . "GSK1370319A is a P2X7 receptor antagonist ." . "GSK1482160 is a P2X7 receptor antagonist . It is active in in vivo animal models of pain." . "Amivantamab (JNJ-61186372) is a bispecific monoclonal that targets EGFR and MET . Examination of binding by surface plasmon resonance confirms that JNJ-61186372 can bind to EGFR and MET simultaneously . JNJ-61186372 binding inhibits phosphorylation of both of the target receptor tyrosine kinases in vitro. Tackling the tyrosine kinases from outside the cell is hypothesised to override the issue of treatment resistance due to kinase mutations that frequently arise during therapy with intracellulary-acting small molecule kinase inhibitors .
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "LY3154207 is a potent, selective and orally active dopamine D1 receptor positive allosteric modulator (PAM) . The allosteric binding site of LY3154207 has been determined to reside at the intracellular loop 2 (ICL2) region of the receptor.
D1 PAMs are being developed to address the poor drug-like properties of selective orthosteric D1 agonists. In particular, LY3154207 does not induce tachyphylaxis in preclinical models, whereas orthosteric agonists do. LY3154207 exhibits pro-cognitive and motor-enhancing effects in vivo, and is being considered for potential utility in the treatment of neuropsychiatric disorders ." . "OMO-1 (formerly JNJ-38877618) is a potent, highly selective and orally bioavailable MET kinase inhibitor. It is being investigated as an anti-tumour agent in advanced solid malignancies. The chemical structure of OMO-1 is one of those claimed in Janssen patent WO2007075567A1 ." . "MK-8719 is an inhibitor of O-GlcNAcase (OGA) that is being investigated as a disease modifying strategy for neurodegenerative tauopathies (including Alzheimer's disease, Pick's disease and progressive supranuclear palsy) . Development of MK-8719 is the result of a partnership between Merck and Alectos Therapeutics. MK-8719 was designed using on the scaffold of the carbohydrate-based lead molecule and used medicinal chemistry and SAR to improve on thiamet-G's less than favourable drug-like properties (e.g. potency, selectivity, CNS exposure and metabolic stability). The current status of OGA inhibitor development as a novel preventative mechanism in neurodegeneration and age-related memory impairment is reveiwed by Rudrawar and Ryan (2019) ." . "Thiamet-G is a O-GlcNAcase inhibitor and is widely used as a pharmacological tool to investigate the role of O-GlcNAcase (and its potential for modulation) in tau-related dementias . It has been used as a lead scaffold for the development of O-GlcNAcase inhibitors that are optimised for clinical utility, such as ." . "Carotegrast methyl (AJM300) is an orally administered esterified prodrug α4 integrin inhibitor/antagonist that was developed by EA Pharma for anti-inflammatory potential ." . "Carotegrast (HCA2969) is the active metabolite of . It acts as an antagonist of α4 integrin-mediated transmigration of leukocytes to sites of inflammation. The chemical structure of carotegrast is claimed as example 108 in EA Pharma patent US20110065918A1 which claims phenylalanine derivatives as α4 integrin antagonists for use as clinical therapeutics ." . "Ilaprazole (IY-81149) is an irreversible proton pump inhibitor (PPI) . It is a prodrug that is converted to an active sulfenamide form that binds to cysteine sulfhydryl groups on the proton pump H+/K+ ATPase of gastric parietal cells, and thereby inhibits gastric acid secretion ." . "Like and , tegafur is a prodrug of the chemotherapeutic agent . It is orally active. The INN specifies tegafur as a racemic mixture of enantiomers. We show the molecule without specified stereochemistry to represent the mixture." . "SAFit1 is a selective inhibitor of the FKBP51 PPIase ." . "RO0094889 is a prodrug dihydropyrimidine dehydrogenase (DPD) inhibitor that was developed by Hoffmann-La Roche . RO0094889 is metabolised by enzymes secreted by tumours to produce the DPD inhibitor 5-vinyluracil. This leads to inhibition of DPD-mediated catabolic degradation of the produced locally in tumours from . RO0094889 is orally active." . "MAK683 is an allosteric inhibitor of the protein-protein interaction (PPI) between embryonic ectoderm development protein (EED) and polycomb repressive complex 2 (PRC2; EZH2) that was developped by Novartis for potential antineoplastic activity. It is one of the chemical structures claimed in Novartis' patent WO2016103155A1, and it targets EED . EED has no intrinsic enzymatic activity but it is essential for PRC2 function. EED binds to histone H3K27 trimethylation marks which localizes the PRC2 complex to the chromatin substrate and allosterically activates PRC2's methyltransferase activity. Disruption of the EED-EZH2 PPI results in a loss of H3K27me3-stimulated PRC2 activity and reduces histone H3K27 trimethylation. In EZH2-mutated and PRC2-dependent cancer cells this PPI disruption modifies gene expression patterns within cancer pathways and ultimately decreases tumour cell proliferation." . "PF-06821497 is an orally active inhibitor of the histone methyltransferase, enhancer of zeste homolog 2 (EZH2), that was developed by Pfizer for antineoplastic potential . Inhibition of EZH2 activity reduces mono-, di-, and trimethylation of lysine 27 on histone H3 (H3K27me, me2, and me3), and this ultimately leads to an antiproliferative effect on susceptible cancer cells (i.e. where aberrant EZH2-mediated epigenetic alterations are driving tumour initiation and progression)." . "CB-103 is a first-in-class, small-molecule, orally active, pan-NOTCH inhibitor that is being investigated for anti-cancer potential . It is being developed by Cellestia.
The CAS number provided within the full documentation for the study entitled 'A Phase I/IIA, Multi-Centre, Open-Label, Dose-Escalation Study with Expansion Arms to Assess the Safety, Tolerability, Pharmacokinetics and Preliminary Efficacy of CB-103 Administered Orally in Adult Patients with Advanced or Metastatic Solid Tumours and Haematological Malignancies Characterised by Alterations of the NOTCH Signalling Pathway' (EudraCT protocol 2017-001491-35) allowed us to identify a chemical structure for CB-103, frior to formal name>structure disclosure .
Information disclosed in meeting abstract form suggests that CB-103 acts by inhibiting protein-protein interactions that are required to establish assembly of the functional NOTCH transcription complex in the nucleus. By acting at the most downstream point in the NOTCH pathway, CB-103 inhibits NOTCH signalling independently of the mechanisms of NOTCH activation. NOTCH pathway signalling, and the approaches being explored for therapeutic targeting are reviewed by Sorrentino et al., 2019 ." . "Velpatasvir is a direct-acting inhibitor of hepatitis C virus (HCV) non-structural protein 5A (NS5A) replication complex . It targets viral RNA replication and viron assembly." . "Bilorphin is a derivative of a naturally ocurring tetrapeptide that was isolated from an Australian estuarine isolate of Penicillium species MST-MF667 . It acts as a G protein signalling biased agonist of the μ-opioid receptor in vitro. Bilorphin promotes minimal β-arrestin recruitment and receptor internalization. Systemic and oral activity was achieved by glycosylating the C-terminal residue of bilorphin to create bilactorphin. The in vivo analgesic potency of bilactorphin is similar to that of morphine." . "NF-56-EJ40 is a potent succinate receptor antagonist ." . "AM-6494 is a beta-secretase 1 (BACE1) inhibitor that has been demonstrated oral efficacy in reducing central Aβ40 load in in vivo models . It has been advanced to preclinical evaluation." . "MRI-1867 is a hybrid molecule that acts both as an inverse agonist of peripheral cannabinoid receptor 1 (CB1) and as an inhibitor of inducible nitric oxide synthase (iNOS) . It is orally active, and the (S)-enantiomer is the more active form of the molecule. MRI-1867 was initially shown to exhibit anti-fibrotic activity in mouse models of liver fibrosis and it has subsequently been demonstrated to reduce signs of inflammation, fibrosis, oxidative stress and overall renal injury in a mouse model of obesity-induced chronic kidney disease . The therapeutic effect of MRI-1867 is two-fold; it both reduces fibrotic progression and is able to attenuate established fibrosis. Activities at both of its molecular targets are involved in mediating its in vivo efficacy." . "Avadomide (CC-122) is a cereblon (CRBN)-targeting compound that exhibits potent single-agent clinical antitumour and immunomodulatory activities . It retains the glutarimide moiety that is shared by all thalidomide family drugs, and which is known to directly interact with CRBN. The INN record specifies avadomide as a racemic mixture of enantiomers. We show the structure without specified stereochemistry to represent the mixture. It is claimed as Compound A in Celgene's patent WO2014039960A1 ." . "Compound 7f is a cereblon-targeting compound with immunomodulatory potential . It promotes proteasomal degradation of the lymphoid transcription factor neo-substrate Aiolos (IKZF3), but utilises a recognition mode that is distinct from that of the classical thalidomide-based immunomodulatory drugs (IMiDs). 7f contains a cinnamamide group in place of the glutarimide moeity found in thalidomide IMiDs ." . "MW150 is a novel, pharmacologically selective p38α MAP kinase (MAPK14) inhibitor . It is CNS-penetrant and is being pursued as a clinical lead for neurological disorders. MW150 is claimed in patent WO2014145485A2 that was filed by The Trustees Of Columbia University In The City Of New York ." . "Diroximel fumarate is a novel oral fumarate prodrug. It is rapidly converted to monomethyl fumarate, which is the same active metabolite of ." . "SIAIS178 is a novel proteolysis-targeting chimeric (PROTAC) degrader . It is a hybrid molecule that connects the BCR-ABL kinase inhibitor to a ligand for Von Hippel-Lindau (VHL) E3 ubiquitin ligase via an optimised linker. SIAIS178 targets BCR-ABL protein for VHL-mediated degradation. The hybrid molecule exhibits an improved kinase selectivity profile compared to dasatinib (in a KINOME Scan evaluation). An epimer of SIAIS178 with a reversed (S) configuration at the proline 4-position of the VHL ligand does not bind to the VHL ligase and is inactive with respect to BCR-ABL degradation." . "3β-OH is a neuroactive steroid analogue that produces general anaesthetic/hypnotic effects in vivo, but without associated neurotoxicity . It blocks presynaptic transmitter release without affecting major postsynaptic ligand-gated ion channels. The chemical structure of 3β-OH is based on that of progesterone, with an OH substitution at position 3, and a CN group substitution at position 3. This chemical structure is claimed as B260 in patent WO2015149066A1 . Mechanistically, 3β-OH selectively targets T-type voltage-gated calcium channels (T-channels; Cav3.1, Cav3.2, and Cav3.3) to mediate its hypnotic activity. 3β-OH exhibits minimal activity towards voltage-gated Na+ and K+ currents, N-type and L-type Ca2+ currents or currents generated via recombinant GABAA and NMDA channels ." . "LASW1393 is a pan-JAK inhibitor that was developed as an inhalation anti-inflammatory . It is active in vivo in a rat model of airway inflammation.
PubChem CID 71062030 represents the compound without specified stereochemistry." . "Compound 32 is reported as a potent and selective inverse agonist of RORγt . It exhibits in vivo activity. Compound 32 is one of the tricyclic sulfone RORγ modulators claimed in Bristol-Myers Squibb's patent WO2016179460A1 ." . "TL13-112 is a PROTAC (proteolysis targeting chimera) . It is a hybrid molecule that simultaneously inhibits ALK kinase activity and recruits E3 ligase CRL4CRBN to target ALK for destruction via E3 ligase-mediated ubiquitination and proteasomal degradation. The ALK targeting function is based on the ALK inhibitor , and the cereblon ligand component is derived from ." . "BSJ-03-204 is a PROTAC (proteolysis targeting chimera) . It is a hybrid molecule that simultaneously inhibits CDK4/CDK6 kinase activity and recruits E3 ligase CRL4CRBN to target these kinases for destruction via E3 ligase-mediated ubiquitination and proteasomal degradation. The CDK4/CDK6 inhibitor is linked to an imide-based cereblon ligand via a linker molecule. BSJ-03-204 has an oxylamide in place of the thalidomide aryl amine nitrogen, and this blocks degradation of IKZF1 and IKZF3 (which are known targets of imides and some imide‐based degraders)." . "BSJ-04-132 is a PROTAC (proteolysis targeting chimera) . It is a hybrid molecule that simultaneously inhibits CDK4/CDK6 kinase activity and recruits E3 ligase CRL4CRBN to target kinase protein destruction via E3 ligase-mediated ubiquitination and proteasomal degradation. BSJ-04-132 is a -based degrader that selectively degrades CDK4." . "BSJ-03-123 is a PROTAC (proteolysis targeting chimera) . It is a hybrid molecule that simultaneously inhibits CDK4/CDK6 kinase activity and recruits E3 ligase CRL4CRBN to target the kinases for destruction via E3 ligase-mediated ubiquitination and proteasomal degradation. BSJ-03-123 is a -based selective CDK6 degrader." . "dTAG-13 is a PROTAC (proteolysis targeting chimera) . It is a hybrid molecule that simultaneously binds FKBP12F36V chimeric proteins and recruits E3 ligase CRL4CRBN to target the defective proteins for destruction via E3 ligase-mediated ubiquitination and proteasomal degradation." . "dBET6 is a BRD4-targeting, cereblon (CRBN)-engaging degrader (or PROTAC; proteolysis targeting chimera) ." . "DD-03-171 is a cereblon (CRBN)-engaging degrader (or PROTAC; proteolysis targeting chimera) of BTK protein . The BTK inhibitor portion of DD-03-171 is derived from , and this is conjugated to using a saturated hydrocarbon linker to create the hybrid molecule. DD-03-171 produces potent antiproliferative effects on lymphoma cells in vitro and on patient-derived xenografts in vivo. It is suggested that DD-03-171's mechanism of action may be able to overcome tumour resistance to therapy." . "dTRIM24 is a Von Hippel-Lindau (VHL)-engaging degrader of the chromatin modifying enzyme TRIM24 . It is a hybrid molecule of a TRIM24-engaging ligand (derived from ACS-9571) and a VHL-engaging ligand (VL-269). dTRIM24 more effectively displaces TRIM24 from chromatin compared to the parent TRIM24 bromodomain binding ligand IACS-9571." . "Luspatercept (ACE-536) is a fusion protein comprising human ACVR2B (activin receptor type 2B) extracellular domain (which is mutated to reduce activin binding), fused with human immunoglobulin G1 Fc fragment . Mechanistically luspatercept acts as a ligand trap for (GDF11; and other Smad2/3-activating ligands), which reduces GDF11-induced Smad2/3 activation, and blocks the inhibitory effect of GDF11 on erythroid precursor maturation. Functionally, it promotes maturation of late-stage erythroid precursors, which is in contrast to , which stimulates proliferation of early-stage erythrocyte precursors. Using Gdf11 knockout, Guerra et al. (2019) dispute GDF11 as the molecular target of luspatercept and its proposed inhibitory effect on late erythropoiesis . They do not propose an alternative mechanism of action." . "This is a 17 amino acid peptide derived from the human MANSC domain-containing protein 1 (MANSC1 protein). It is amino acids 415-431 using Uniprot numbering, and the carboxy-terminal 17 amino acids of the MANSC1 protein. It has been identified as a novel ligand for the GPCR, GPR55 ." . "This is a 22 amino acid peptide derived from the rat secretogranin-1 protein. It is amino acids 511-532 using Uniprot numbering. It has been identified as a novel ligand for the GPCR, GPR55 ." . "This is a 24 amino acid peptide derived from human microseminoprotein beta (MSMB protein). It is amino acids 91-114 using Uniprot numbering, and the carboxy-terminal 24 amino acids of the MSMB protein. It has been identified as a novel ligand for the GPCR, GPR55 ." . "This is a 43 amino acid peptide derived from the human sperm-associated antigen 11B (SPAG11B) protein precursor. It is amino acids 61-103 using Uniprot numbering. It has been identified as a novel ligand for the GPCR, GPR55 ." . "This is a 26 amino acid peptide derived from the human clusterin-like protein 1 (CLUL1). It is amino acids 52-77 using Uniprot numbering. It has been identified as a novel ligand for the GPCR, GPR55 ." . "QC-01-175 is a functional degrader of pathogenic tau protein . It is a bifunctional molecule that simultaneously engages tau and cereblon (CRBN; a component of the E3 ubiquitin ligase complex) to trigger tau ubiquitination and proteasomal degradation. Such molecules can be described as PROTACs (proteolysis targeting chimeras). Cereblon engagement is mediated by the probe's module, and tau recruitment is achieved by a variant of the tau PET tracer T807 (). QC-01-175 retains the tau ligand-binding capacity of the parent T807, but with reduced off-target MAO inhibition liability." . "This peptide is a variant of human . It exhibits agonist activity at the GPCR, chemerin receptor 2 (GPR1) ." . "dBRD9 is a targeted BRD9 degrader molecule . It is a bifunctional molecule that simultaneously engages the BRD9 bromodomain and cereblon (CRBN; a component of the E3 ubiquitin ligase complex) to trigger BRD9 ubiquitination and proteasomal degradation. Such molecules can be described as PROTACs (proteolysis targeting chimeras). Cereblon engagement is mediated by the probe's module, and BRD9 recruitment is achieved by an optimised BRD9 ligand. dBRD9 is suitable as a tool/probe to interrogate BRD9's biological role and therapeutic potential." . "This is an analogue of , that was designed to achieve enhanced BRD9 degradation properties . Like dBRD9 it is a PROTAC (proteolysis targeting chimera). dBRD9-A is a hybrid molecule that simultaneously engages the BRD9 bromodomain and recruits E3 ligase CRL4CRBN (using a -based module) to target BRD9 for destruction via E3 ligase-mediated ubiquitination and proteasomal degradation." . "THAL-SNS-032 is a cereblon (CRBN)-engaging degrader of the CDK9 kinase protein . It is a bifunctional molecule that uses PROTAC technology to promote degradation of the CDK9 protein. Degradation is achieved through co-engagement of CDK9 (via the multi-targeting kinase inhibitor , a.k.a. SNS-032) and cereblon (via a derivative) to promote E3 ligase-mediated ubiquitination and proteasomal degradation of CDK9." . "Compound 10 is an irreversible inhibitor of the cholesterol pathway enzyme CYP51A1 . It was designed to validate the druggability of human CYP51A1, which had previously proven to be resistant to pharmacological inhibition. An X-ray structure of the compound 10/CYP51A1 complex has been deposited with the Protein Data Bank, PDB ID 6Q2T." . "This macrocyclic compound is reported as a selective inhibitor of AXL kinase activity " . "SAFit2 is a selective inhibitor of the FKBP51 PPIase ." . "Compound 18e is an optimised, orally bioavailable dual Janus kinase 2 (JAK2)/fms related tyrosine kinase 3 (FLT3) inhibitor . It exhibits anti-tumour activity in vitro and in vivo." . "Crizanlizumab is a humanized anti-P-selectin monoclonal that was developed by Selexys Pharmaceuticals (and later acquired by Novartis) as a preventative therapy for sickle cell crises . The antibody and its use are claimed in Selexys' patent WO2012088265A1 . Crizanlizumab was designed to limit complement activation. In clinical trial no anti-crizanlizumab antibodies could be detected ." . "Elexacaftor (VX-445) is a next-generation CFTR corrector type agent. Like its predecessor , elexacaftor is designed to improve CFTR protein processing and trafficking in the presence of the F508del mutation, although because its mechanism of action is different from that of tezacaftor, its functional effects appear to be additive . As such a triple combination therapeutic with tezacaftor, izacaftor (a CFTR potentiator that increases CFTR channel gating activity) and elexacaftor increases CFTR function beyond that achieved by current standard of care with tezacaftor/izacaftor, and improves clinical symptoms in patients with cystic fibrosis with one or two F508del alleles ." . "Bamocaftor (VX-659) is a next-generation CFTR corrector class molecule . It is structurally related to and like other corrector molecules was designed to improve CFTR protein processing and trafficking in the presence of the F508del mutation. Bamocaftor's mechanism of action is different from that of the first generation CFTR corrector and its functional and clinical effects appear to be additive . As such a triple combination therapeutic with tezacaftor, izacaftor (a CFTR potentiator that increases CFTR channel gating activity) and bamocaftor increases CFTR function beyond that achieved by current standard of care dual therapy tezacaftor/izacaftor, and improves clinical symptoms in patients with cystic fibrosis with one or two F508del alleles ." . "SKA-111 is a positive KCa channel gating modulator with selectivity for KCa3.1." . "GPI-1046 was originally described to bind FKBP12 , but it has higher affinity for FKBP38 ." . "TEPP-46 is an activator of tumour-associated pyruvate kinase M2 (PKM2) . It promotes formation of the highly active PKM2 tetramer, and reduces cancer cell proliferation by interfering with anabolic metabolism. It is active in a mouse xenograft model ." . "DASA-58 is an activator of tumour-associated pyruvate kinase M2 (PKM2) . PKM2 activation has potential to interfere with the anabolic metabolic pathway that is utilised by cancer cells to maintain high levels of proliferation. Like , DASA-58 promotes formation of highly active PKM2 tetramers and suppresses tumour expansion in vivo ." . "Compound 15a is a small-molecule agonist of the apelin receptor . It exhibits similar in vitro potency to the endogenous agonist , and binds to the orthosteric site of the receptor. Compound 15a was designed by Bristol-Myers Squibb Research and Development." . "Voxelotor (GBT440) is an orally bioavailable drug that acts allosterically to stabilise the relaxed (R)-state of sickle cell haemoglobin (HbS) in which it has high affinity for oxygen, and this mechanism reduces the HbS polymerisation that drives erythrocyte sickling ." . "DLL3 is is an inhibitory NOTCH pathway ligand. The mature protein is 592 amino acids long and contains DSL and transmembrane domains, and EGF repeats that are characteristic of NOTCH family ligands. DLL3 can be detected in the cytoplasm of a few normal adult cell types (neurons, pancreatic islet cells, pituitary cells). In contrast, its expression is highly upregulated to the surface of malignant cells of neuroendocrine origin, including small cell lung cancer (SCLC) , melanoma, glioblastoma multiforme, small cell bladder cancer, metastatic castration-resistant prostate cancer, and neuroendocrine lung tumours, and is detected on cancer stem cells. Its favourable expression profile has enabled DLL3-targeted therapeutic development for these cancer indications . To date, DLL3-targeted therapies include an antibody-drug conjugate (rovalpituzumab tesirine; max phase 3, development terminated), a bispecific T cell engager (BiTE® AMG757; max phase 1) and a chimeric antigen receptor T cell therapy (AMG119; max phase 1), all of which were first evaluated in advanced SCLC." . "Rovalpituzumab tesirine is an antibody-drug conjugate (ADC) that was designed to exploit the expression of the NOTCH ligand DLL3 on certain tumours for anti-cancer efficacy . It is a humanized anti-DLL3 monoclonal that is linked to a pyrrolobenzodiazepine dimer toxin called tesirine (or D6.5; PubChem CID 73672523). Once the ADC is internalized, its D6.5 payload is released and causes lethal DNA damage in the target cells." . "4-OMe-ARM1 is an activator of leukotriene A4 hydrolase aminopeptidase activity ." . "MS432 is the first-reported mitogen-activated protein kinase kinase 1/2 (MEK1/2) degrader . Structurally MS432 is a hybrid molecule, combining a kinase-targeting ligand (based on ) with a VHL-engaging moeity In this case VHL ligand 2, (S,R,S)-AHPC-Me . These types of agents are known as PROTACs, or proteolysis targeting chimeras. It targets the kinases for VHL E3 ligase- and proteasome-mediated degradation. In vitro, the effect of MS432 is phenocopied by MEK1/2 knockdown. MS432 is bioavailable and suitable for in vivo studies." . "ARV-771 is a small-molecule pan-BET degrader based on proteolysis-targeting chimera (PROTAC) technology . It targets the BET domain proteins BRD2/3/4 for VHL E3 ligase-mediated ubiquitination and proteasomal degradation. This mechanism effects suppression of the androgen receptor (AR) protein level and AR signalling. ARV-771 is efficacious in vivo, as demonstrated in two different mouse models of castration-resistant prostate cancer (CRPC)." . "DKFZ-251 acts as an inhibitor of kallikrein related peptidase 6 (KLK6) . It is a useful tool compound to explore the role of KLK6 as a potential therapeutic drug target in pathologies such as cancer and neurodegenerative diseases." . "ERD-308 is a small-molecule ERα degrader that was designed using the proteolysis targeting chimeras (PROTAC) model . It is a hybrid molecule that links together an ERα antagonist (a derivative of ) and a VHL ligand that engages the VHL E3 ligase to direct ERα receptors for ubiquitination and proteasomal degradation." . "SAR439859 is a selective estrogen receptor degrader (SERD) . It was designed (by Sanofi) to have improved pharmacokinetic properties compared to the existing clinically used SERD, . An X-ray structure of SAR439859 in complex with the ERα ligand binding domain indicates that the ligand occupies the orthosteric estradiol binding cavity." . "This peptide is a product of the human C10orf99 gene. It is proposed as an agonistic ligand of the orphan GPCR, GPR15, and has been referred to as GPR15L . Structurally, GPR15L is predicted to contain two intramolecular disulphide bonds, which implies a similarity to CC family cytokines.
GPR15L has also been reported as a pruritogen that is produced in the skin, which induces mast cell degranulation via activation of the Mas-related G protein-coupled receptors (MRGPRs) . MRGPR-GPR15L-mediated itch and inflammation is independent of GPR15." . "This peptide is a variant of . It exhibits agonist activity at GPR15 ." . "This peptide is a variant of . It exhibits agonist activity at the orphan GPCR, bombesin receptor subtype 3 (BB3; BRS3) ." . "This peptide is a variant of human . It exhibits agonist activity at the orphan GPCR, GPR68 ." . "This peptide is a variant of human CART prepropeptide (CARTPT; also known as 'cocaine and amphetamine regulated transcript'). It exhibits agonist activity at the orphan GPCR, GPR68 ." . "This peptide is a variant derived from human pro-opiomelanocortin (POMC). It exhibits agonist activity at the orphan GPCR, GPR68 ." . "This compound is a small molecule inhibitor of kallikrein-related peptidase 6 (KLK6) . It is the most potent analogue that was identified using structure-guided design and optimisation of a lead molecule from a high-throughput screen. The PK/PD profile of 32 indicates that it is suitable as a tool compound to further explore the biology of KLK6 and its potential as a therapeutic drug target." . "ABBV-3221(GLPG-3221) is a novel cystic fibrosis transmembrane conductance regulator (CFTR) corrector that is being developed in a collaboration between AbbVie and Galapagos for the treatment of cystic fibrosis . It was designed to provide improved clinical efficacy when used in a triple combination with a CFTR potentiator and a second, but mechanistically distinct, corrector molecule." . "AS-252424 is an inhibitor of the lipid kinase PI3Kγ . In cellular assays it is selective for class IB PI3K-mediated effects." . "ARD-266 is a potent proteolysis-targeting chimera (PROTAC) degrader of the androgen receptor (AR) . Its design highlights that using an E3 ligase ligand with low affinity (Ki of 2-3 μM) in a PROTAC can still achieve a very potent degrading effect against the AR. Ubiquitination and proteasomal degradation is mediated by the compound's ligand that binds to the VHL constituent of the VHL/cullin2 E3 ligase complex. The AR antagonist component of ARD-266 is the same as that utilised in the previously reported AR degrader, ." . "ONO-2570366 is an antagonist of the cysteinyl leukotriene receptors CysLT1 and CysLT2 . It has been used to elucidate the three dimensional structure of the CysLT2 receptor and its ligand-selectivity determinants." . "Compound 13e is an antagonist of cysteinyl leukotriene G protein-coupled receptors CysLT1 and CysLT2 . it is approximately 1800-fold selective for CysLT1 compared to CysLT2 in vitro." . "A synthetic organoselenium molecule with anti-inflammatory, anti-oxidant and cytoprotective activity, characterised as a small molecule Gq protein inhibitor.
A bioRxiv preprint suggests that ebselen is a low micromolar, covalent, fast-binding inhibitor of papain-like protease (PL-pro) from SARS-CoV-2 . This study also reports that ebselen is less active against SARS-CoV, and binds more slowly to this enzyme homologue." . "Donecopride is a small molecule that exhibits potent dual actions as an acetylcholinesterase (AChE) inhibitor and as a partial 5-HT4 receptor agonist . It is a hybrid molecule that combines structural components from the AChE inhibitor , and the 5-HT4 agonist . Donecopride is predicted to provide a combination of symptomatic and disease-modifying effects that are considered to offer therapeutic utility in Alzheimer's disease ." . "Compound 39 is a dual antagonist of the CC-chemokine receptors CCR2 and CCR5 . It is one of the most potent lead molecules that were reported in this 2019 Journal of Medicinal Chemistry paper. Experiments measuring antagonism of CCL3-induced [35S]GTPγS binding indicates that 39 binds to an allosteric site of both target receptors, which is likely to be located on the intracellular face of the receptiors. The compound is described as an insurmountable antagonist." . "JNJ-27141491 is a reversible and noncompetitive (insurmountable) antagonist of the chemokine receptor CCR2 . It acts at an intracellular domain of the receptor and is orally active in transgenic mice that express human CCR2." . "Cannabidiolic acid (CBDA) is a phytocannabinoid that is present at a significant concentration in Cannabis sativa . It slowly decarboxylates to within the plant tissue. The decarboxylation process is accelerated by heat. To overcome its inherent instability, the more stable analogue cannabidiolic acid methyl ester () was synthesised . In in vivo models CBDA has been shown to produce anti-nausea and anxiolytic‐like effects ." . "UCM-05194 (compound (S)-17) is a LPA1 receptor agonist . UCM-05194-mediated internalisation of the receptor induces functional inactivation of LPA1 cellular effects in vitro, which translates to attenuation of pain perception in an animal model of neuropathic pain. It is therefore a suitable tool for assessing LPA1-mediated effects in vitro and for evaluating the potential of in vivo LPA1 receptor modulation as a strategy for therapeutic intervention in neuropathic pain." . "Peptide 5A is an apoA-I-mimetic that has been reported to reduce atherosclerosis , acute vascular inflammation, and oxidative stress in experimental animal models. It has subsequently been identified as an antagonistic ligand for the scavenger receptor CD36 and experimental evidence indicates that CD36 is its main pharmacological target ." . "Compound 18c is a calcium-sensing receptor (CaSR) negative allosteric modulator (NAM) . It utilises a second allosteric binding site that is topographically distinct from the NPS2143 binding site . Negative modulation of CaSR promotes release of parathyroid hormone (PTH). Transient release of PTH elicits a bone anabolic response, so molecules that act as rapid/transient negative CaSR modulators are being explored for potential as novel agents to treat bone-loss diseases." . "Compound (R)-2h is an orally bioavailable, negative regulator of the calcium-sensing receptor (CaSR) . (R)-2h is short-acting, and is predicted to produce a rapid and transient release of parathyroid hormone (PTH) and an associated bone anabolic response. Molecules like (R)-2h, which act as rapid/transient negative CaSR modulators are being explored for potential as novel agents to treat bone-loss diseases." . "cGMP blocker. Sodium salt is used in assays (compound information is available here: https://pubchem.ncbi.nlm.nih.gov/compound/136240563)." . "Compound 3c acts as an antagonist of the scavenger receptor CD36 . Structurally it is an azasulfurylpeptide derivative of the synthetic hexapeptide growth hormone releasing peptide-6 () that has reported affinity for both CD36 and the ghrelin receptor (growth hormone secretagogue receptor)." . "Selective xanthine oxidase inhibitor developed for treatment and management of hyperuricemia and gout." . "KPT-9274 is a small molecule that has reported inhibitory activity against PAK4 and NAMPT . It is being developed by Karyopharm Therapeutics for anti-cancer efficacy in solid tumours and in B cell malignancies . KPT-9274 is suggested to act as an allosteric modulator of PAK4 that does not interfere with the enzyme's kinase activity (in contrast to the type 1 ATP-competitive PAK kinase inhibitor ). It produces dose-dependent antitumour effects in solid and haematologic cell lines at low nanomolar concentrations . KPT-9274 is claimed as example 728 in patent WO2015003166A1 .
The chemical structure of KPT-9274 is identical to that which was submitted to the WHO for the INN padnarsertib (proposed INN list 126, Jan 2022)." . "Peptide 1 binds to the scavenger receptor CD36 and modulates its activity, as measured by NO production and cholesterol efflux ." . "JR14a is reported as an antagonist of the Complement C3a receptor (C3aR) . It is orally active, and elicits anti-inflammatory effects in vitro and in vivo. It is a more potent antagonist than ." . "Compound 29 is reported as a colony-stimulating factor 1 receptor (CSF-1R) inhibitor . It was identified by high-throughput screening, and virtual docking and structure-activity-relationship (SAR) studies. The chemical structure of compound 29 represents a novel class of o-aminopyridyl alkynyl-based inhibitor for this kinase. Compound 29 elicits anti-inflammatory effects in vitro.." . "BAY-985 (compound 34) is an inhibitor of the IκB kinase (IKK)-related serine/threonine kinases TANK-binding kinase 1 (TBK1) and inhibitor of nuclear factor kappa B kinase subunit epsilon (IKKε) . BAY-985 has been contributed to the Structural Genomics Consortium's chemical probes set as a tool compound that is made freely available to the research community to enable extended investigation of TBK1 biology and its potential as a therapeutic target." . "Compound 41 is a structurally novel, potent, selective and orally bioavailable PI3Kδ inhibitor . Results from this inhibitor optimisation study suggest that off-target inhibition of Vps34 is associated with in vivo toxicity in a rat PK model." . "HU-580 (cannabidiolic acid methyl ester; CBDA-ME) is a stable synthetic analogue of the naturally occurring phytocannabinoid, (CBDA ) . HU-580 has been shown to enhance maximal agonist activation of 5-HT1A receptors in a rat model, and produces anti-nausea and anti-anxiety effects which align with the biological profile reported for CBDA. The compound has efficacy in a rat model of peripheral neuropathic pain when administered at an early stage post-sciatic nerve surgery . Interestingly this effect is only observed in male rats, indicating potential sexual dimorphism in this response." . "cPTIO is used in assays as a cell-permeating nitric oxide scavenger." . "AZD7648 is a selective inhibitor of DNA-dependent protein kinase (DNA-PK) . DNA-PK is responsible for recognising and repairing double-strand DNA breaks in damaged DNA, and is a cancer drug target. AZD7648 is orally bioavailable." . "Compound 26 is a macrocyclic inhibitor of apoptosis signal-regulating kinase 1 (ASK1, MAP3K5) . Amongst the analogues designed and tested it is noted for its high level of CNS penetration, making it an ideal lead for examining the effect of ASK1 inhibition on inflammatory demyelination and neurodegeneration. Two previously reported ASK1 inhibitors have shown efficacy in the transgenic mouse SOD1 motor neurone disease model ." . "TG11-77 is reported as a selective, brain-penetrant EP2 receptor antagonist that is suitable for use in models of central nervous system diseases and inflammatory disorders . The hydrochloride salt was used in the majority of testing in . We show the structure for the parent molecule." . "Compound 2h is the hit compound from a series of dual-stage antiplasmodial HDAC inhibitors ." . "AZD3965 is an inhibitor of the monocarboxylate (lactate) transporter MCT1 (SLC16A1) . Eklevated MCT1 expression has been reported in a range of solid tumours and it is functionally essential in certain lymphomas which are highly dependent on the glycolytic metabolic pathway . It appears that cancer cells exploit MCT1 to efflux lactate so as to prevent intracellular acidification so as to prevent metabolic catastrophe. MCT1 inhibitors are being investigated for their potential to inhibit glycolysis and tumour growth." . "Compound 3 is a PROTAC (proteolysis targeting chimera). It is a hybrid molecule that simultaneously inhibits MEK kinase activity and recruits E3 ligase via a Von Hippel-Lindau ligand to promote proteasomal degradation of MEK protein . The kinase inhibitor component of the molecule is an analogue of the allosteric MEK inhibitor ." . "Clindamycin is a semisynthetic lincosamide antibacterial with broad-spectrum activity. The compound also has antimalarial activity.
Clindamycin is one of the key access group antibacterials on the World Health Organization's Model List of Essential Medicines (link provided in the Classification table, under the Summary tab below).

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Metamizole (or dipyrone) is a non-addictive analgesic with analgesic, antipyretic and spasmolytic effects. It is indicated for severe acute and chronic pain and also for fever which is not responding to other treatments. Although it is available over-the-counter in some countries, it is prescription or banned in other countries, due to its potential for adverse events, including agranulocytosis." . "Mezagitamab (TAK-079) is a humanized, IgG1, cell-depleting anti-CD38 monoclonal antibody . Anti-CD38 therapeutics were primarily developed as treatments for multiple myeloma , but have subsequently been discovered to offer potential in solid tumours and autoimmune diseases ." . "This compound is a gefitinib-based VHL-recruiting EGFR degrader (PROTAC; proteolysis targeting chimera) ." . "CJ-15,801 is a novel antibacterial, isolated from the fermentation broth of the fungus, Seimatosporium . It is a structural analogue of . The compound inhibits the growth of drug resistant strains of Staphylococcus aureus and also has antimalarial activity ." . "GSK030 is an improved molecule from the thiotriazole series of antimalarial compounds .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Teprotumumab is a fully human anti-insulin-like growth factor 1 receptor (IGF-1R) monoclonal antibody (antagonist) that was originally developed in a collaboration between Genmab and Roche, and later licensed to Horizon Therapeutics who completed its advancement through clinical trials in thyroid eye disease. Heavy and light chain variable region peptide sequences for teprotumumab are 100% matches for SEQ IDs 1 and 2 (respectively) that are claimed in Hoffmann-La Roche patent WO2005005635A2 . This patent claims two preferred antibodies, antibody 18 and antibody 22, but it is not clear which contains SEQ IDs 1 and 2." . "Reproxalap is a novel small molecule that acts as a molecular trap for pro-inflammatory Reactive Aldehyde Species (RASP) that was developed by Aldeyra Therapeutics. Reproxalap (as example 5; NS2) and its uses are claimed in Aldeyra patent WO2018039197A1 ." . "BCH070 is lead antimalarial drug candidate, that with further optimization shows promise as a combination therapy with artemisinin to treat multidrug-resistant malaria ." . "DM-CHX is a selective inhibitor of FKBP38 ." . "Balovaptan ((RG7314, RO5285119) is a potent, selective, orally administered and brain-penetrant vasopressin 1A (V1A) receptor antagonist . It was designed by Hoffmann-La Roche as a treatment for autism spectrum disorder, but its clinical development has been terminated." . "WEHI-842 was developed as a potent peptidomimetic inhibitor of Plasmodium plasmepsin V (PMV), a promising target for antimalarial drug development .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Compound 28 is the optimized lead from a novel class of antimalarial compounds based on an aminoacetamide scaffold .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Seralutinib (PK10571; Structure 2a; GB002) is a small molecule inhibitor of platelet-derived growth factor receptors A and B (PDGFRα, PDGFRβ; receptor tyrosine kinases) . It was developed to target the PDGF pathway as a therepuetic modality for the treatment of pulmonary arterial hypertension (PAH). PK10571 is being progressed for PAH by Gossamer Bio in collaboration with Pulmokine. Inhibition of PDGFRα/β is predicted to stop and/or reverse the vascular remodeling associated with PAH and thereby improve cardiopulmonary hemodynamics in these patients." . "Cell-permeable protein kinase A inhibitor." . "Citrusinine II is a natural compound found in the tropical plant Atalantia monophylla. It inhibits TRPV3 channel activity in vitro (IC50 12.43 μM) ." . "Cell-permeable, selective inhibitor of nNOS (Neuronal Nitric Oxide Synthase). Tris(trifluoroacetate) salt is used in assays (information available here: https://pubchem.ncbi.nlm.nih.gov/compound/71311606)." . "Cell-permeable cAMP analogue. Triethylammonium salt is used in assays (compound information available here: https://pubchem.ncbi.nlm.nih.gov/compound/57369926)." . "Noncompetitive Epac1 inhibitor." . "Tolebrutinib (PRN2246; SAR442168) is an oral and selective small molecule inhibitor of the enzyme Bruton tyrosine kinase (BTK) . It binds covalently and is brain-penetrant.
The chemical structure that was submitted to the WHO for the INN tolebrutinib is identical to that of example 3 in Principia Biopharma's patent WO2016196840A1 ." . "Uzansertib (INCB053914) is a pan-PIM kinase inhibitor that was developed by Incyte Corporation as a novel anticancer agent . The chemical structure that was submitted to the WHO for the INN uzansertib is identical to the structure of INCB053914. INCB053914 is a Type 1, ATP-competitive inhibitor. The PIMs (PIM1, PIM2, and PIM3) are serine/threonine protein kinases that are important players in JAK/STAT and PI3K/AKT signalling pathways and in tumourigenesis. PIMs are known to be overexpressed in haematologic and solid tumours, and consequently PIM inhibitors are being developed and investigated for clinical anti-tumour potential." . "The chemical structure of example 51 [WO2012135160A1] is identical to the structure that was submitted to the WHO for the INN zandelisib. In the INN submission zandelisib is designated as a PI3 kinase (PI3K) inhibitor and as an antineoplastic. Patent WO2012135160A1 was submitted by the PI3K inhibitor-focussed pharmaceutical company Pathway Therapeutics. Zandelisib has subsequently been declared as MEI Pharma's lead PI3Kδ inhibitor ME-401." . "The chemical structure submitted to the WHO for INN rezivertinib, is identical to the structure of example 1 that is claimed in patent WO2016094821A2 by Beta Pharma . This patent claims novel EGFR inhibitors that are active against mutated EGFRs that are found in cancers, i.e. third generation EGFR inhibitors. From Beta Pharma's declared pipeline, example 1 is likely to be BPI-7711, which is being investigated for the treatment of EGFRT790M-mutant non-small cell lung cancer. We await formal name>structure confirmation. Experimental evidence in WO2016094821A2 indicates that example 1 is orally bioavailable." . "The chemical structure that was submitted to the WHO for the INN orelabrutinib, is identical to the structure of example 3 that is claimed as a BTK inhibitor in patent WO2015048662A2 . The inhibitors in WO2015048662A2 are claimed for their potential to treat cancers and inflammatory/autoimmune diseases that are mediated, at least in part, by Bruton's tyrosine kinase (BTK). Innocare Pharma have declared the ICP-022>orelabrutinib association on their company news webpage. Orelabrutinib is an orally administered, potent, irreversible and selective BTK-inhibitor." . "Olverembatinib (HQP1351; formerly GZD824) is a novel third-generation, orally bioavailable kinase inhibitor with activity against a broad spectrum of Bcr-Abl mutants including the T315I resistance mutation . The chemical structure for GZD824 is identical to that submitted to the WHO for the INN olverembatinib. GZD824's structure and use was first claimed in a patent from the Guangzhou Institute of Biomedicine and Health , but it is now being progressed by Ascentage Pharma and HealthQuest Pharma." . "The chemical structure that was submitted to the WHO for the INN lorpucitinib is identical to the structure of example 1 that is claimed as a pan-Janus kinase inhibitor in Janssen's patent WO2018112379A1 . Based on structural conformation this is an exact match to PubChem SID 395564298, and this is associated to CID 134611548. However, this CID does not specify the stereochemical conformation as described in the patent or as stipulated in the INN submission. The chemical structure was disclosed in March 2020 as a JAK inhibitor that is intended for the treatment of inflammatory bowel disease . Its activity is restricted to the gut by virtue of its permeability and physicochemical properties, and this limits systemic exposure and the potential for on-target adverse events. Lorpucitinib is Janssen's clinical lead JNJ-64251330. It blocks phosphorylation and activation of Signal Transducer and Activator of Transcription (STAT) factor proteins." . "NVP‐TNKS656 is a potent and selective inhibitor of the poly(ADP-ribose) polymerase (PARP) tankyrase enzymes, that was designed by Novartis for anti-tumour potential . It is active in vivo." . "The chemical structure that was submitted to the WHO for the INN itacnosertib is identical to the structure of example 11 that is claimed in Tolero Pharmaceuticals' patent WO2014151871A9 . The INN submission declares itacnosertib as a 'serine/threonine kinase inhibitor'. Data presented in WO2014151871A9 provide evidence of example 11's activity as an inhibitor of the activin A receptor type 1 (ACVR1; a.k.a. ALK2) which is a Type I receptor serine/threonine kinase. Tolero have declared an ACVR1-targeting oncology programme on their pipeline webpage. The research code provided is TP-0184, but to date (Dec 2020) there has been no formal name>structure disclosure for this compound." . "GSK2292767 is a selective PI3Kδ inhibitor that was developed as a back-up compound to clinical lead (GSK2269557) ." . "MS39 is a PROTAC (proteolysis targeting chimera). It is a hybrid molecule that simultaneously inhibits EGFR kinase activity and targets EGFR for destruction via ubiquitination and proteasomal degradation . The kinase inhibitor portion of the molecule is derived from the first generation EGFR inhibitor and it uses a VHL ligand to engage the E3 ligase system." . "MS154 is a PROTAC (proteolysis targeting chimera). It is a hybrid molecule that simultaneously inhibits EGFR kinase activity and targets EGFR for destruction via ubiquitination and proteasomal degradation . The kinase inhibitor portion of the molecule is derived from the first generation EGFR inhibitor and it uses a cereblon (CRBN) ligand to engage the E3 ligase system." . "A G protein-biased and selective δ opioid agonist. In cell-based assays, PN6047 fully engages G protein signaling but is a partial agonist in both the arrestin recruitment and internalization assays." . "Fosifidancitinib is a Janus kinase (JAK) inhibitor that is claimed in Rigel Pharmaceuticals' patent WO2010085684A1 . Strictly I-538 refers to the sodium salt but we represent the parent molecule in this entry. The chemical structure that was submitted to the WHO for the INN fosifidancitinib matches the structure of example I-538 (minus the sodium). Rigel declare two JAK inhibitor programmes on their pipeline webpage; one in partnership with Aclaris Therapeutics (ATI-501/ATI-502, oral and topical formulations respectively) for dermatological applications, and the second in partnership with AstraZeneca through which AZD0449 (R256) is being investigated as an inhalation asthma therapeutic. None of these investigational agents have published name to structure declarations." . "The chemical structure that was submitted to the WHO for the INN ifidancitinib matches structures that are claimed as Janus kinase (JAK) inhibitors in Rigel Pharmaceuticals' patent WO2012015972A1 . Structurally ifidancitinib is identical to (fosifidancitinib) but without the phosphate group. The closest structural match in the patent is example I-221 but this has deuterium iotopes replacing some of the hydrogens on methylanilino group. Rigel declare two JAK inhibitor programmes on their pipeline webpage; one in partnership with Aclaris Therapeutics (ATI-501/ATI-502, oral and topical formulations respectively) for dermatological applications, and the second in partnership with AstraZeneca through which AZD0449 (R256) is being investigated as an inhalation asthma therapeutic. None of these investigational agents have published name to structure declarations, so at the moment we cannot definitively ascribe a research code to this chemical structure." . "WJYK50 is an inhibitor of acid sphingomyelinase (ASM; SMPD1) . It produces anti-apoptosis and anti-inflammatory effects in vitro." . "Compound 21b is reported as a selective inhibitor of acid sphingomyelinase (ASM; SMPD1) . It crosses the blood-brain-barrier in a rat model and has predicted value as an antidepressant based on outcomes from in vivo behavioural models of depression." . "Compound 10 is an inhibitor of sphingosine kinase 2 . This compound exploits a novel side cavity on the kinase to provide enhanced potency and selectivity. The PubChem entry for this compound originated via SureChEMBL patent extraction, and is derived from patent WO2017172989A1 from researchers at Virginia Tech ." . "Furegrelate is a potent inhibitor of thromboxane synthase. It has minimal effect on other arachidonate metabolic enzymes." . "MRL-871 is a negative allosteric modulator of the nuclear hormone receptor RORγt . It binds to a site in the receptor's ligand binding domain that is distal to the canonical ortherosteric binding site." . "Compound 25 is an allosteric inhibitor of RORγt . Its pharmacokinetic profile makes it suitable for oral administration. The chemical structure and its use are claimed in Merck's patent WO2014028600A2 ." . "Cilofexor (GS-9674) is a nonsteroidal farnesoid X receptor (FXR) agonist. It was originally identified by Phenex Pharmaceuticals and is being developed by Gilead Pharmaceuticals for hepatic anti-steatotic activity, and potential to treat nonalcoholic fatty liver disease (NAFLD) and/or nonalcoholic steatohepatitis (NASH). Successful treatment of these liver conditions will most likely be achieved using combinations of antilipemic, anti-inflammatory and anti-fibrotic agents." . "Firsocostat (GS-0976) is a liver-directed acetyl-CoA carboxylase (ACC) inhibitor . It was initially identified by Nimbus Therapeutics , and is being developed by Gilead as an antilipemic agent for potential to treat non-alcoholic steatohepatitis (NASH) . Firsocostat is an allosteric inhibitor that binds to the ACC biotin carboxylase dimerization site, rather than to the previously targeted carboxyltransferase domain. The firsocostat-ACC interaction mimics the physiological inhibition of ACC by AMPK." . "AZD9977 is a selective, nonsteroidal, mineralocorticoid receptor modulator . It acts as a partial antagonist, but is equally as efficacious as in organ protection in a rat model of cardio-renal disease." . "Rodatristat ethyl (KAR5585) is the inactive prodrug of rodatristat . It is bioconverted in vivo by esterase activity." . "Rodatristat (KAR5417) inhibits both isoforms of L-Tryptophan hydroxylase (TPH) . The TPH enzymes are responsible for biosynthesis of 5-HT. TPH1 is expressed by intestinal enterochromaffin cells where most peripheral 5-HT is formed, and THP2 is exclusively expressed in the CNS and generates 5-HT in the brain. Rodatristat acts as a serotonin synthesis inhibitor. As rodatristat cannot cross the blood-brain-barrier its activity is restricted to inhibition of peripherally expressed TPH1 and it should not produce the undesirable psychiatric side-effects that are known to result from any reduction in central 5-HT level.
Inhibition of serotonin synthesis is being actively pursued as a mechanistic approach for application to the treatment of the expansive range of diseases that have been associated with a dysfunctional peripheral serotonin system (carcinoid syndrome, gastro-intestinal diseases, fibrotic diseases, NAFLD, atherothrombotic diseases, pulmonary arterial hypertension and some cancers and immune diseases )." . "Synthetic agonist of the voltage-dependent anion channel 2 (VDAC2, link to the HGNC VDAC family)." . "Compound 7 was designed by scientists at Novartis, as a potent and selective brain-penetrant inhibitor of mechanistic target of rapamycin (mTOR) . It is an ATP-competitive inhibitor. It is already established that inhibition of mTOR in the CNS providees clinical efficacy in certain seizure disorders (such as tuberous sclerosis complex; TSC ) that are associated with overactivated mTOR signalling . The allosteric mTOR inhibitor is already approved as adjunctive treatment for patients with TSC-associated partial-onset seizures. Compound 7 was optimised to provide a molecule with improved brain permeability compared to everolimus." . "Compound 16 (acidified with fumaric acid) is reported as an activator of pyruvate kinase M2 (PKM2) that has in vivo anti-tumour activity against glioblastoma multiforme xenografts . It is a prodrug, with the active form being compound 5 in the discovery article." . "Samidorphan (ALKS-33) is a novel μ-opioid receptor antagonist that was developed by Alkermes . Structurally it is a analogue. The intention was for samidorphan to be used in combination with the atypical antipsychotic (in a formulation known as Lybalvi®, ALKS-3831, or the abbreviation OLZ/SAM) as a therapy for schizophrenia and bipolar disorder. Addition of samidorphan was proposed to mitigate olanzapine-induced weight gain." . "Oxycodegol (NKTR-181; Nektar Therapeutics) is a μ-opioid receptor agonist analgesic . It was designed to enter the brain slowly, so as to reduce CNS-mediated side effects and abuse potential." . "Lazucirnon (AKST4290, formerly known as ALK4290) is a CCR3 antagonist that was developed by Alkahest as a novel oral therapy for wet age-related macular degeneration (AMD). It acts as a modulator of pathologic inflammation by inhibiting the CCR3/eotaxin axis and subsequent eosinophil accumulation. ALK4290 is now being repurposed for Parkinson's disease. The structure that is presented here was obtained from the NIH ChemIDplus chemical information resource, where it is listed as ALK4290. The structure matches example 11 that is claimed in patent WO2012045803A1 which was granted to Boehringer Ingelheim ." . "Licogliflozin (LIK-066) is an orally bioactive inhibitor of sodium/glucose cotransporters 1 and 2 (SGLT1, SGLT2). It was developed by Novartis for the treatment of obesity, non-alcoholic steatohepatitis, and type 2 diabetes, but the program was discontinued in 2018 ." . "Enerisant is a selective histamine H3 receptor antagonist/inverse agonist that was designed by Taisho Pharmaceutical Co. . It exerts wake-promoting and procognitive effects in rodents." . "Nidufexor (LMB763) is an orally bioavailable non-bile acid agonist of the ligand-activated nuclear farnesoid X receptor (FXR) that is being developed by Novartis for the treatment of nonalcoholic steatohepatitis (NASH) . FXR agonists reduce steatosis, hepatocellular inflammation, hepatic injury and fibrosis." . "Ianalumab (VAY736) is an investigtional anti-BAFF receptor (TNFRSF13C) monoclonal antibody (mAb) from Novartis. BLAST analysis of peptide sequences from its INN record reveal identical matches with peptide sequences claimed in Novartis patent WO2010007082A1 . The sequence matches suggest that mAb MORO7347 identified in the patent could be VAY736." . "Hetrombopag is an orally bioavailable, non-peptide small‐molecule thrombopoietin receptor (TPOR/MPL) agonist, that was developed as a treatment for thrombocytopenia . The parent compound is shown here. It is administered as the ethanolamine/olamine." . "Naporafenib (LXH254) is an investigational, potent, selective and orally bioavailable RAF inhibitor that was designed to target RAS mutant cancers, i.e.those that harbour genetic alterations in the RAS-RAF-MEK-ERK (MAPK) pathway . It is one of the compounds claimed in Novartis' patent WO2014151616A1 . Naporafenib is a Type-2 kinase inhibitor that binds the DFG-out conformation of the kinase." . "Compound 12 is reported as a reversible inhibitor of endothelial lipase . It is active in vivo, elevating plasma HDL-cholesterol levels in a mouse pharmacodynamics model. The chemical structure is claimed in Bristol-Myers Squibb's patent WO2014042939A1 . Compound 12 is a tool compound that is suitable to help establish proof-of-concept for pharmacological inhibition of EL as a alternative mechanism to raise HDL-cholesterol levels as a route to clinical cardiovascular benefit." . "Bempegaldesleukin (NKTR-214) is an engineered variant of human interleukin-2 in which Ala1 has been removed and Cys125 is substituted by Ser. The peptide is produced in E. coli and an average of 6 lysine residues are N6 substituted with [(2,7-bis{[methylpoly(oxyethylene)]carbamoyl}-9H-fluoren-9-yl)methoxy]carbonyl (PEG-Lys). In the PEG-bound form the IL-2 is inactive, but In vivo the PEG chains are released slowly which provides a more controlled release of active IL-2 peptide (the IL-2 conjugates with 1 or 2 PEG chains are the most biologically active conjugates ). This prodrug strategy mitigates against the severe side effects which limit maximal dosing of parental aldesleukin." . "KBP-066 is a Dual Amylin and Calcitonin Receptor Agonist (DACRA), which are a class of peptide, which distinguish themselves from amylin agonists as they activate both the amylin receptor and the calcitonin receptor in a prolonged fashion." . "A potent, selective and reversible non-covalent monoacylglycerol lipase (MAGL) inhibitor that demonstrates dose-dependent enhancement of the major endocannabinoid 2-arachidonoylglycerol as well as efficacy in models of neuropathic and inflammatory pain." . "BMS-986260 is a potent, selective and orally bioavailable TGFβR1 inhibitor, that was developed for immuno-oncology potential . The chemical structure of BMS-986260 is one of those claimed in patent WO2016140884A1 (Rigel Pharmaceuticals/Bristol-Myers Squibb). The PubChem CID match was obtained using the SMILES for BMS-986260 that was generated from the structure image presented in ." . "Vorasidenib (AG-881) inhibits mutant forms of the isocitrate dehydrogenases (IDH1 and IDH2) that catalyse the generation of the oncogenic metabolite d-2-hydroxyglutarate (2-HG). This compound and others, and their use for treating cancer are claimed in patent US10028961 . Vorasidenib can cross the blood brain barrier, and is being proposed as a chemotherapeutic for IDH mutation +ve cancers including gliomas and hematological malignancies . X-ray cocrystal structures of vorasidenib with mutant IDH1 and mutant IDH2 have been deposited with the RCSB Protein Data Bank . The X-ray structures show that vorasidenib binds at an allosteric pocket formed in IDH homodimers, at the interface of the two monomers." . "RK-287107 is an orally bioavilable, non-selective tankyrase inhibitor . It blocks growth of β-catenin-dependent colorectal cancer xenograft tumours in preclinical models." . "UCSF3384 was found to act as selective inverse agonist of the melatonin receptor 1A (MT1 receptor) . It represents a novel chemotype for MT ligands, and was designed using structure-based optimisation of a lead molecule that was identified in a docking screen of 150 million virtual molecules against a MT1 crystal structure." . "UCSF7447 was found to act as selective inverse agonist of the melatonin receptor 1A (MT1 receptor) . It represents a novel chemotype for MT ligands, and was designed using structure-based optimisation of a lead molecule that was identified in a docking screen of 150 million virtual molecules against a MT1 crystal structure." . "UCSF4226 was found to act as selective agonist of the melatonin receptor 1B (MT2 receptor) . It represents a novel chemotype for MT ligands, and was designed using structure-based optimisation of a lead molecule that was identified in a docking screen of 150 million virtual molecules against a MT1 crystal structure." . "HWL-088 is a highly potent free fatty acid receptor 1 (FFA1/GPR40) agonist bearing a phenoxyacetic acid scaffold. HWL-088 significantly improves glucose tolerance in normal and diabetic models." . "Acetyl CoA carboxylase 2 (ACC2) inhibitor, resulting in a reduction of serum glucose and triglyceride levels." . "Acetyl CoA carboxylase 2 (ACC2) inhibitor that demonstrates significant antidiabetic effects through inhibition of ACC2-dependent pathways." . "MC2050 is a poly(ADP-ribose) polymerase (PARP) inhibitor that is selective for PARP1 over PARP2 . As the dihydrochloride salt it is water soluble. MC2050 interacts with both the nicotinamide and adenine ribose binding sites within the enzyme's catalytic domain." . "Compound 5 is an inhibitor of poly(ADP-ribose) polymerase (PARP) activity, that exhibits some selectivity for tankyrase 2 (TNKS2, PARP5b) . It is a structural derivative of the PARP1 inhibitor ." . "AZ1366 is an orally bioavailable inhibitor of the poly(ADP-ribose) polymerase (PARP) tankyrase enzymes TNKS and TNKS2 . It exhibits some activity against PARP1 and PARP2. Structurally it is a nicotinamide mimetic that occupies the nicotinamide binding site of the PARP catalytic domain." . "Compound 25 is a covalent and allosteric KRASG12C inhibitor . It exhibits favourable pharmacokinetics in preclinical species and produces anti-tumour efficacy in vivo. Compound 25 is claimed in AstraZeneca's patent WO2019110751A1, in which two atropisomers (sterically restrained stereoisomers) with the same chemical formulae are claimed (Example 21 and 22) ." . "Sotorasib (AMG510) is a covalent KRASG12C inhibitor that was developed by Amgen for anti-tumour potential in KRASG12C-driven cancers. It was the first KRAS-targeting drug to be approved for clinical use." . "Motixafortide (BL8040) is a CXCR4 antagonist that is being developed by Biokine Therapeutics . It is a 14-residue polypeptide modified from a naturally occurring horseshoe crab protein. Motixafortide acts as an inverse agonist in [35S]GTPγS binding assays . It induces safe and efficient stem cell mobilisation in MM patients in preparation for autologous stem cell transplantation , and it is being proposed as a mechanism to improve anti-tumour immune reponse against solid tumours ." . "Picotamide is a thromboxane synthase inhibitor. It inhibits platelet aggregation." . "R116010 is a CYP26A1 inhibitor . It inhibits metabolism of all-trans-retinoic acid." . "Lurbinectedin (PM01183) is an investigational anti-tumour agent with potential activity against a wide range of tumours. Structurally it is a synthetic tetrahydroisoquinoline that is related to the marine ecteinascidins (e.g. ). Like trabectedin, lurbinectedin binds to the minor groove of DNA. Stable lurbinectedin-DNA adducts induce DNA double- and single-strand breaks which cause cell cycle arrest and ultimately, apoptotic cell death." . "Compound 8u is a novel small molecule that simultaneously inhibits the cancer targets indoleamine-2,3-dioxygenase 1 (IDO1) and signal transducer and activator of transcription 3 (STAT3) which was designed to elicit multicomponent antitumour immunity. Inhibition of IDO1 acts to circumvent IDO1-induced immunosuppression in the tumour microenvironment and inhbition of STAT3 targets multiple oncogenic signalling pathways in both tumour and immune cells within the tumour microenvironment." . "KBP-088 is a potent dual amylin and calcitonin receptor agonist (DACRA)." . "A dual amylin and calcitonin receptor agonist (DACRA)." . "Apraglutide (FE 203799), a synthetic 33-amino-acid peptide and a long-acting GLP-2 analogue, with amino acid substitutions (Ala2>Gly, Met10>Ahx, Asn11>D-Phe, Asn16>Leu). The peptide's circulating half-life is elevated by the incorporation of Ahx (aminocaproic acid) in place of lysine which reduces degradation by lysine-targeting proteolytic enzymes. Apraglutide enhances adaptation and linear intestinal growth in a neonatal piglet model with total resection of the ileum that mimics human short bowel syndrome ." . "Icariside II (ICS II) is a phosphodiesterase 5 (PDE 5) inhibitor." . "SU3327 was originally identified as an inhibitor of the serine/threonine c-Jun N-terminal kinases (JNKs) . It is substrate competitive (inhibiting the protein-protein interaction between JNK and the substrate JIP-1), and selective for JNK vs. p38 MAPK and Akt. SU3327 was shown to restore insulin sensitivity in mouse models of diabetes.
In the search for new antibacterials, artificial intelligence algorithms were used to identify novel chemotypes that were likely to have novel mechanisms of antibacterial activity. SU3327 (re-named as halicin) was identified by this process and in vitro and in vivo follow-up showed that it potently killed a wide range of diffucult to treat, antibacterial-resistant bacterial strains . Halicin appears to disrupt the ability of bacteria to maintain an electrochemical gradient across their cell membranes which blocks their production of ATP for energy." . "GNF2133 is a potent, selective and orally bioavailable inhibitor of dual specificity tyrosine phosphorylation regulated kinase 1A (DYRK1A) . It was designed and reported by the Genomics Institute of the Novartis Research Foundation (GNF). Inhibition of DYRK1A is being examined as a mechanism to promote β-cell proliferation as a novel therapy for type I diabetes. GNF2133 is active in relevant in vivo models. Significantly, GNF2133 is devoid of glycogen synthase kinase-3β (GSK3β) inhibitory activity, which is considered to be a potential long-term treatment liability of pre-exisitng dual DYRK1A/GSK3β inhibitors .
See also , which is a selective DYRK1A inhibitor with a different chemical scaffold ." . "GNF4877 is a dual DYRK1A/GSK3β inhibitor . It was designed and reported by the Genomics Institute of the Novartis Research Foundation (GNF) as a strategy to increase β-cell mass and insulin levels, and to improve glycemic control as a novel therapy for type 1 diabetes. Although experiments conducted by the GNF team indicate that DYRK1A inhibition alone is sufficient to promote pancreatic β-cell proliferation, dual inhibition is synergistic. However, GSK3β inhibition may pose a cancer risk , so selective DYRK1A inhibitors have subsequently been designed (e.g. ) to ascertain the efficacy of DYRK1A inhibition alone ." . "Compound 2-2c is a selective inhibitor of DYRK1A whose chemical structure is derived from that of the DYRK1 kinase inhibitor . It was developed for potential to promote pancreatic β-cell proliferation as a novel mechanism to be applied to the treatment of type 1 diabetes. It produces predicted effects on β-cells in vitro and in vivo.
See also , which is a selective DYRK1A inhibitor with a different chemical scaffold ." . "JD5037 is a peripherally restricted (PR) cannabinoid-1 receptor blocker (CB1R antagonist)." . "Roflupram is a potent phosphodiesterase 4 (PDE4) inhibitor." . "Ambroxol stimulates the synthesis and release of surfactant in the respiratory tract and acts as a mucoactive/expectorant drug. This action appears to be associated with ambroxol's regulation of glucosylceramide levels, via modulation of non-lysosomal glucosylceramidase (GCase) beta 2 (GBA2; Q9HCG7). Ambroxol is reported to act as a small molecule chaperone for GCase proteins that can increase the stability and function of mutant and wild-type GCases in in vitro and in vivo models , and in clinical trial subjects . Ambroxol binds to nascent GCase proteins (at the enzyme active site) within the endoplasmic reticulum, and this action facilitates transport to the lysosome . The acidic lysosomal environment provokes ambroxol dissassociation, leaving the enzyme free to function normally.

SARS-CoV-2 and COVID-19: Evidence presented in a preprint suggests that ambroxol (and its prodrug ) directly disrupts the protein-protein interaction between the SARS-CoV-2 spike protein and ACE2 . This action is reported to inhibit the cytopathic effects induced by SARS-CoV-2 infection in vitro, which is suggestive of potential prophylactic and/or therapeutic use of these drugs against COVID-19." . "BNC375 is a potent, selective, and orally available type I positive allosteric modulator of α7 nicotinic acetylcholine receptor (nAChR)." . "Eptinezumab is a humanized IgG1 anti-calcitonin gene-related peptide (CGRP) monoclonal antibody for the prevention of migraine . It was developed by Lundbeck and their subsidiary Alder Biopharmaceuticals (Alderbio). The INN record for eptinezumab indicates that it binds to CALCA (α-CGRP) and CALCB (β-CGRP). Peptide sequence alignment using NCBI BLAST Protein reveals 100% matches with sequences claimed in Alderbio's patent WO2012162257A2, and distinguish eptinezumab as the monoclonal referred to as Ab5 in the patent document.

CGRP plays an important role in migraine pathophysiology , and both the CGRP peptide and its receptor (CGRPR) are targets of anti-migraine therapeutics . Eptinezumab is the fourth anti-CGRP pathway monoclonal to reach the clinic: the others are (anti-CGRPR), (anti-CALCA/B) and (anti-CALCA/B). These antibodies are used as alternatives to CGRPR antagonists such as (FDA approved in 2019)." . "Sovesudil (compound 18 [PMID: 24119557]) is a Rho-associated, coiled coil containing protein kinase (ROCK) inhibitor from Amakem Therapeutics . It contains a carboxylic ester moiety that is intended to facilitate rapid inactivation by esterases in vivo, as a mechanism to reduce systemic or local ROCK-associated side effects. This approach of exploiting designed metabolic inactivation is used to produce so-called 'soft' drugs. Compound 18's chemical structure matches that submitted to the WHO for INN sovesudil. Compound 18 is intended as an intraocular pressure (IOP)-lowering agent, and is expected to be devoid of the systemic blood pressure lowering side effect that is associated with systemic exposure to and therefore precludes fasudil's use in non-cardiovascular indications . It is also expected to cause less local hyperemia than older ROCK inhibitor chemotypes. See our entry for , which is another soft ROCK inhibitor from Amakem Therapeutics." . "AXT914 is a calcium-sensing receptor (CaSR) modulator that was developed by Novartis as a small molecule calcilytic . It is structurally related to the CaSR negative allosteric modulator (NAM) . It acts to promote a rapid and transient release of parathyroid hormone. CaSR antagonists/NAMs are being investigated as bone-forming osteoporosis therapeutics." . "NCGC607 is a glucocerebrosidase (GCase) chaperone . Unlike , it does not occlude the enzyme active site so is not predicted to inhibit GCase activity. Enhancement of lysosomal GCase activity using chaperone molecules is being explored in diseases that are associated with mutant GCase GBA1, such as the lysosomal storage disorder Gaucher disease, and the neurodegenerative synucleinopathies Parkinson's disease and dementia with Lewy bodies. Enhanced GCase activity is predicted to prevent aggregation of neurotoxic proteins or improve the clearance of protein aggregates. This mechanism is considered to be applicable to a number of age-related neurodegenerative disorders that are characterised by aggregates of misfolded, non-functional and neurotoxic proteins . Under experimental conditions, NCGC607 restores GCase activity and protein levels, and reduces glycolipid storage in Gaucher macrophages, and reduces α-synuclein levels in dopaminergic neurons from Parkinson's patients ." . "Selective Transient Receptor Potential Melastatin 8 (TRPM8) antagonist." . "5-HT3 receptor partial agonist with potential to treat patients with irritable bowel syndrome or carcinoid syndrome." . "SUVN-911 is a novel, potent, selective and orally active antagonist of neuronal α4β2 nicotinic acetylcholine receptors . It was designed by scientists at Suven Life Sciences as a potential anti-depressant drug. The disclosure report specifies the compound as the hydrochloride salt, so bioactivity data will have been generated using this form. We show the structure for the parent molecule in this entry." . "Compound 3 is reported as a substrate selective inhibitor of cyclooxygenase-2 (COX-2) . It preferentially inhibits conversion (by oxygenation) of the endocannabinoid 2-arachidonoylglycerol (2-AG) to prostaglandin glyceryl ester (PG-G) compared to oxygenation of arachidonic acid (AA) into prostaglandins, which is predicted to increase endocannabinoid levels in the brain and mediate anti-stress/anti-anxiety effects." . "Compound 15a is a dual phosphoinositide 3-kinase (PI3K)/mammalian target of rapamycin (mTOR) inhibitor that was designed for potential anti-tumour activity . Dysregulation of the PI3K-Akt-mTOR signalling pathway is often observed in cancers, and simultaneous inhibition of PI3K and mTOR is predicted to offer improved antitumour activity compared to drugs that target single components of the pathway. A number of dual PI3K/mTOR inhibitors are in clinical development (for example , , , and ). All of these inhibitors are associated with adverse effects. Compound 15a was designed to address issues around selectivity and toxicity. Unfortunately 15a produced hepatic toxicity in vivo, so further optimisation would be essential to identify a more suitable derivative." . "Rimegepant (BMS-927711, BHV-3000) is a small molecule calcitonin gene-related peptide (CGRP) receptor antagonist ." . "Compound 11r is a peptidomimetic α-ketoamide that was designed for antiviral activity against corona- and enteroviruses . This study was posted to the BioRxiv preprint server prior to certification by peer review and publication in J. Med. Chem. The proteases that are essential for viral polyprotein processing by the corona- and enteroviruses exhibit a strong preference for substrates containing Gln at P1 position, and share an active-site conformation that engages the substrate's P1 residue. Compound 11r targets this unique P1-binding position within the active-sites of the main coronavirus protease and the enterovirus 3C protease.
A crystal structure of 11r bound to the human SARS-CoV main protease has been submitted to the RSCB Protein Data Bank with accession ID 5N5O. UniProt P0C6X7 provides details of SARS-CoV proteins." . "Compound 15 is a small molecule, ADP analogue-based CD73 (ecto-5'-nucleotidase) inhibitor . Mechanisms to inhibit CD73 activity are being exploited for immuno-oncology potential, and are exemplified by the progress of the anti-CD73 monoclonal and the small molecule inhibitor into clinical trials as treatments for advanced solid tumours." . "AB680 is a reversible, slow-onset competitive inhibitor of CD73 (ecto-5'-nucleotidase) ." . "SI306 is a Src kinase inhibitor that was developed for activity against glioblastoma multiforme (GBM) ." . "WF-47-JS03 is a RET (REarranged during Transfection) kinase inhibitor that was designed for anti-cancer potential . It is orally bioavailable, but was not well tolerated in mice at higher doses, indicating a narrow therapeutic window." . "Iptacopan (LNP023) is a small molecuile, orally bioavailable complement factor B inhibitor . Factor B is a serine protease, that is a component of the alternative pathway (AP) of the complement system. The AP acts as an amplification loop of complement activation and contributes to various human diseases. Inhibition of factor B is being expolited as a mechanism to treat complement-mediated conditions such as C3 glomerulopathy (glomerulonephritis, including IgA nephropathy), paroxysmal nocturnal hemoglobinuria and atypical hemolytic uremic syndrome." . "T-495 is a positive allosteric modulator (PAM) of the M1 muscarinic acetylcholine receptor . It was designed as a low-cooperativity PAM which was predicted to reduce the gastrointestinal (GI) side-effects (principally diarrhea) that are caused by M1R activation in the ileum, whilst retaining efficacy to improve cognitive deficits in animal models. The measure of allosteric cooperativity (α-value) of T-495 is 199. In contrast the α-value for is 511, indicating that this PAM more effectively increases agonist activity at the receptor than T-495. In vivo, T‐495 exhibits a wider margin between memory improvement and induction of diarrhea than MK‐7622 in rats, suggesting that the hypothesis re low PAM cooperativity and reduced GI adverse reaction was valid. T-495 effectively reverses memory deficits in a mouse model of dementia with Lewy bodies and Parkinson's disease in which acetylcholine levels are reduced." . "MK-7622 is a high cooperativity positive allosteric modulator of the M1 muscarinic acetylcholine receptor (M1R) . Clinical development of MK-7622 as a therapy for neurological and cognitive disorders was terminated at Phase 2." . "Compound 16 is a hybrid, hetero-bifunctional molecule that comprises a PCSK9-binding ligand connected to an Arg(Boc)3 moiety . This latter motif acts as a ubiquitin-independent proteasome-recruiting element that in this case was used to facilitate ligand-induced degradation of PCSK9 protein. X-ray co-crystallisation shows that compound 16 binds to an allosteric site on PCSK9 and has no intrinsic effect on PCSK9 function. The X-ray structure also reveals that the Arg(Boc)3 moiety extents outwith the binding pocket which enables interactions with components of the degradation complex. Targeted degradation of PCSK9 is being examined as an alternative to anti-PCSK9 monoclonals (already in the clinic) or small-molecule inhibitors of the PCSK9/low-density lipoprotein (LDL) receptor protein-protein interaction (which is very difficult to drug due to the 3D structure of the interaction domains) as a novel mechanism to decrease LDL cholesterol levels.

The Arg(Boc)3 motif is used as an alternative to the more widely utilised ubiquitin-proteasome system recruiting elements that engage the VHL and CRBN ubiquitin ligases, and which have been used in a number of previously reported PROTACs." . "Aloxistatin (EP-453) is an irreversible inhibitor of the cysteine protease cathepsin B and calpains 1 and 2 . It acts by alkylating the catalytic cysteine thiol . In cellular assays it inhibits autophagy and lysosomal function." . "Remdesivir (GS-5734) is a nucleotide analogue drug that was developed by Gilead Sciences for antiviral potential, in particular for anti-Ebola and anti-Marburg virus activity . It acts is an inhibitor of the viral RNA-dependent RNA polymerase (RdRP) that functions as a chain terminator during viral RNA synthesis. Remdesivir is a prodrug whose major active metabolite is . Its 1'-CN group and C-linked nucleobase ensure optimal anti-Ebola potency and selectivity against host polymerase enzymes. Remdesivir has broad-spectrum activity against several viral families such as filoviruses, paramyxoviruses, and coronaviruses, and including the SARS and MERS coronaviruses (CoVs), endemic circulating human CoVs, and against SARS-CoV-2 . The first patient to test positive for SARS-CoV-2 in the US was treated with i.v. remdesivir (using compassionate use of an investigational therapy prescribing) and his clinical condition improved significantly within the next 24h without observation of adverse effects ." . "PRD_002214 is an irreversible peptide-like inhibitor of the main protease (MPRO) of SARS-CoV-2 . The chemical structure was obtained from the RCSB Protein Data Bank entry 6LU7 which shows the ligand in complex with the protease. The article describing the work has not yet been published (March 12, 2020), but the inhibitor (also referred to as N3) has been deployed in other MPRO crystallisation studies . The MPRO sequence is held in the NCBI record 'Chain A, SARS-CoV-2 main protease'." . "PSB-1584 is a non-biased, high affinity agonist of the Gi protein-coupled receptor GPR84 . A radiolabelled version ([3H]PSB-1584; KD 2.08 nM) which effectively labels GPR84 in native cells and tissues has been synthesised ." . "Compound 25 is the most efficacious glutathione transferase omega-1 (GSTO1-1) inhibitor of a number reported by Xie et al. (2020) . It is proposed as a pharmacological tool to interrogate cellular responses to GSTO1-1 inhibition." . "C1-27 is a small molecule inhibitor of glutathione transferase omega-1 (GSTO1-1) ." . "Compound 13b is an inhibitor of SARS-CoV-2 main protease (Mpro) . It is a derivative of the prevoiusly reported α-ketoamide inhibitor . Compound 13b has an enhanced plasma half-life compared to 11r, plus it exhibits substantial lung tropism and has shown suitability for inhalation-mediated administration." . "DRL-17822 is a cholesteryl ester transfer protein (CETP) inhibitor." . "RO5256390 is an orally available partial agonist that targets trace amine-associated receptor 1 (TAAR1)." . "PF-05089771 is an aryl sulfonamide Nav1.7 channel blocker that binds to the inactivated state of Nav1.7 channels with high affinity but binds only weakly to channels in the resting state." . "μ-opioid receptor agonist." . "μ-opioid receptor agonist." . "μ-opioid receptor agonist." . "μ-opioid receptor agonist." . "MZ1 is a BRD2/4 bivalent degrader molecule (proteolysis-targeting chimera; PROTAC) . It conjugates a BRD BET domain-targeting warhead (derived from ) to an E3 ubiquitin ligase ligand (VH032, which binds the VHL ligase) via a linker. BET bromodomain protein degradation promotes a collapse of global elongation and a resultant antiproliferative effect. MZ1 is structurally similar to ." . "Talarozole (R115866) is a cytochrome P450 CYP26 inhibitor. It was investigated for clinical efficacy as a treatment for cutaneous inflammation, including psoriasis." . "Highly potent and selective pan-tropomyosin receptor kinase family (neurotrophic tyrosine receptor kinase; TRKA, TRKB, TRKC) inhibitor." . "ABBV-744 is an investigational, orally bioavailable BET family protein (BRD) inhibitor, that was developed for antiproliferative potential in cancer . It was designed to selectively target the BD2 domain of BET family proteins, in an effort to limit potential on-target adverse activity associated with BD1 interactions. In vivo, ABBV-744 produced fewer platelet and gastrointestinal toxicities than a dual BD1/2-targeting compound in preclinical models. Its antiproliferative effects are primarily evident in acute myeloid leukaemia cell lines and in prostate cancer cells that express the full-length androgen receptor (AR)." . "PD-144418 is a σ1 receptor antagonist . It is selective for σ1 binding sites over σ2 binding sites in vitro." . "Otamixaban (FXV673) is an anticoagulant that was originally reported by Aventis Pharmaceuticals (Sanofi) . It is a potent and selective direct inhibitor of coagulation factor Xa that is delivered intravenously. The INN record stipulates the (2R,3R) configuration. Virtual docking studies suggest that otamixaban may bind to the serine protease TMPRSS2 , which is linked to host cell entry by a number of viruses, in particular influenza viruses and respiratory viruses such as SARS-CoV-2. Inhibition of TMPRSS2 is being examined for antiviral activity. The TMPRSS2 inhibitory activity of otamixaban is reported in ." . "I-432 is an inhibitor of the serine protease TMPRSS2 . TMPRSS2, present in human airway cells, is involved in processes that support infection by a number of viruses , thus inhibitors of this protease are being investigated for anti-viral potential." . "Lunacalcipol (CTA018) is a vitamin D analogue." . "Garcinoic acid is a naturally occurring derivative of δ-tocotrienol, that is found in the seeds of Garcinia kola. It has been reported as a selective agonist of the pregnane X receptor ." . "Preliminary evidence indicates that the ribonucleoside analogue β-D-N4-hydroxycytidine (NHC, EIDD-1931) has broad spectrum antiviral activity against SARS-CoV-2, MERS-CoV, SARS-CoV, and related zoonotic group 2b or 2c Bat-CoVs . The potency of the NHC ester prodrug () against multiple coronaviruses, its therapeutic efficacy, and oral bioavailability in vivo, all highlight its potential utility as an effective antiviral against SARS-CoV-2 and other future zoonotic coronaviruses." . "Potent and selective H3 histamine receptor inverse agonist. Radioligand 11C-GSK189254 can be used to quantify H3 receptor availability in humans in vivo using PET." . "Molnupiravir (EIDD-2801, MK-4482) is an oral, broad-spectrum antiviral drug . The proposed INN molnupiravir was released by the WHO in a special release to cover COVID-related therapeutics in October 2020 (Proposed INN: List 124-COVID-19). Chemically molnupiravir is the isopropylester prodrug of the ribonucleoside analogue (EIDD-1931, or N-hydroxycytidine) . Functionally, the active form of molnupiravir is incorporated into the virus' RNA by the viral RNA-dependent RNA polymerase (RdRp) during replication, which results in lethal mutagenesis . Molnupiravir was originally designed by Emory University scientists to inhibit replication of influenza virus. It has subsequently been tested for activity against other RNA viruses, including pandemic SARS-CoV-2, SARS-CoV and MERS-CoV . Molnupiravir was being progressed for COVID-19 in a collaboration between Ridgeback Biotherapeutics and Merck. In vivo therapeutic and prophylactic potential was reported in a peer reviewed manuscript in February 2021 .
There is concern that molnupiravir may induce mutations in the host, based on evidence from mammalian cell culture experiments and using the Ames test (bacteria)." . "ONO-5334 is a cysteine protease inhibitor with activity against cathepsin K. It was an oral drug lead that was considered as a bone resorption inhibitor for the treatment of postmenopausal osteoporosis. ONO-5334 has some antiviral activity against SARS-CoV-2, and antagonises viral replication in human iPSC-derived pneumocyte-like cells ." . "Enfortumab vedotin is an anti-Nectin 4 monoclonal antibody-drug conjugate . The toxic payload is monomethyl auristatin E (MMAE; PubChem CID 11542188). It exhibits potent efficacy in multiple preclinical cancer models ." . "PO-322 is an immunosuppressive compound. Its effects are mediated via inhibition of serum/glucocorticoid regulated kinase 1 (SGK1) . SGK1 is a downstream target of mTOR (a significant mediator involved the cell signalling that leads to T cell activation)." . "HM01 is reported as a brain‐penetrating, orally bioavailable, ghrelin receptor agonist . It reduces motion‐induced emesis in a rodent model ." . "Merimepodib is an orally bioavailable, non-competitive inhibitor of inosine monophosphate dehydrogenase (IMPDH) . It has antiviral activity, suppressing replication of Zika virus (ZIKV) , hepatitis C virus (HCV), and other emerging viral pathogens . IMPDH inhibition reduces intracellular guanine nucleotide levels, thus limiting RNA and DNA synthesis both for cellular proliferation, and for viral replication inside host cells. Experimental evidence shows that the activity of merimepodib can augment the anti-replicative effects of other antivirals such as and T-705 (favipiravir)." . "Dopamine D1 receptor agonist. SKF-82958 hydrobromide is a D1/D5 receptor full agonist." . "Apramycin is a deoxystreptamine class antibacterial with Gram-negative activity ." . "NHWD-870 is an orally bioavailable bromodomain and extra-terminal (BET) inhibitor, that exhibits selectivity for bromodomain containing 4 (BRD4) . It was developed for anti-cancer potential. In vitro, it is more potent than clinical stage BET inhibitors such as (OTX-015) and (GSK-525762). NHWD-870 potently reduces tumour growth in a number of different mouse models of cancers, including lung and ovarian tumours, lymphoma, and melanoma." . "AZD4205 is a selective, orally bioavailable, ATP-competitive inhibitor of Janus kinase 1 (JAK1) that was developed by Dizal Pharmaceutical Company . It has been shown to enhance antitumour activity in combination with (an approved EGFR inhibitor) in a preclinical non-small cell lung cancer xenograft model. A higher drug concentration within the gastrointestinal tract relative to plasma in preclinical models suggests potential to treat inflammatory bowel disease. Persistently activated STAT3 has been shown to be oncogenic, and drives expression of cellular proteins which contribute to central processes in cancer progression (survival, proliferation, invasion, angiogenesis). JAK1 is the key Janus kinase responsible for cytokine-mediated STAT3 activation.
The chemical structure of AZD4205 matches that for the INN golidocitinib which was surfaced in WHO Proposed list 125 in July 2021." . "MDL-28170 is a calpain and cathepsin B inhibitor . It impairs impairs infection by SARS-CoV and Ebola virus (EBOV). MDL-28170 has some antiviral activity against SARS-CoV-2, and antagonises viral replication in human iPSC-derived pneumocyte-like cells ." . "VBY-825 is a reversible cysteine protease inhibitor with high potency against cathepsins B, L, S and V . Human cysteinyl cathepsins are required for proteolytic processing of virally encoded proteins during infection , including a likely requirement for proper processing of the SARS-CoV-2 S protein within the endosome (activating its fusogenic acitivity) . Experimental evidence indicates that VBY-825 has some antiviral activity against SARS-CoV-2 . In in vitro experiments VBY-825 inhibits SARS-CoV-2 entry. It does not inhibit the viral 3C-like protease (3CLpro) or papain-like protease (PLpro), which suggests that its antiviral activity is associated with inhibition of host proteases.

In the oncology setting, a pre-clinical model of pancreatic islet cancer revealed that VBY-825 exhibits significant anti-tumour activity." . "Leronlimab (PRO140) is a humanized anti-CCR5 (C-C motif chemokine receptor 5) monoclonal antibody . It was originally developed by CytoDyn as a novel strategy to manage CCR5-tropic HIV infection .

SARS-CoV-2 and COVID-19: Leronlimab has been administered to a number of patients with severe COVID-19, to determine its potential to reduce cytokine storm caused by this disease." . "Compound 3k is reported as an inhibitor of the papain-like protease (PL-pro) of SARS-CoV . It was the most potent in the series both in terms of inhibiting enzyme activity (IC50 150 nM) and in terms of reducung viral replication in cell culture (EC50 = 5400 nM). The X-ray structure of the PL-pro/3k complex was submitted to the RCSB Protein Data Bank and has accession 4OW0. Activity of 3k vs. SARS-CoV-2 PL-pro has not yet been published." . "Example 4 is an inhibitor of SARS-CoV main protease (Mpro, 3CLpro) from patent (in Chinese) WO2017114509. It is the most potent from the set that was derived from structure-activity relationship-based design. In April 2021, this copmound was reported as an inhibitor of 3C proteases from enteroviruses and rhinoviruses and of the SARS-CoV-2 Mpro ." . "MLN-3897 is a selective oral, small‐molecule receptor antagonist of CCR1 and clinical lead that was developed for immunomodulatory potential and as a chemokine signalling inhibitor to reduce multiple myeloma (MM)-related osteolytic bone disease (blocking CCL3-CCR1-mediated signalling inhibits osteoclast formation and MM cell migration and survival) . We show the chemical structure here without specified stereochemistry, as depicted in the 2016 article by Pusalkar et al. . A stereo-specified enantiomer is claimed as (abs)-50 in MIllenium Pharmaceuticals' patent US20090286823 . As there has been no formal disclosure of the name-to-structure, we show the 'flat' structure in good faith.

Analysis presented in a bioRxiv preprint (not peer reviewed) suggests that MLN-3897 impairs infection by SARS-CoV-2 in vitro ." . "(R)-16 is a modulator of the nuclear peroxisome proliferator-activated receptor γ (PPARγ) . Its chemical structure is a novel chemotype for this receptor, and it binds in the orthosteric PPARγ ligand-binding site in a pose that is distinct from existing modulators." . "Acorafloxacin is a fluoroquinolone class antibacterial ." . "Afabicin (DEBIO 1450) is an inhibitor of bacterial Fabl, the NADH-dependent enoyl reductase from the type II bacterial fatty acid biosynthesis pathway (FAS-II) . This is a prodrug whose active metabolite is DEBIO 1452 (previously AFN-1252; PubChem CID: 10407120) ." . "DEBIO 1452 (previously AFN-1252) is the active metabolite of afabicin (DEBIO 1450) . It is an inhibitor of bacterial Fabl, the NADH-dependent enoyl reductase from the type II bacterial fatty acid biosynthesis pathway (FAS-II) . It specifically targets staphylococci without significant activity against other Gram +ve or Gram -ve species ." . "Alalevonadifloxacin is a benzoquinolizine fluoroquinolone class antibacterial. It is being developed as a component of a combination therapy with ." . "Levonadifloxacin (WCK 771) is a fluoroquinolone class antibacterial . It is being developed as a component of a combination therapy with . Formulated as the levonadifloxacin arginine salt for clinical administration. We show the structure of the parent molecule here." . "Amifloxacin (WIN 49375) is a fluoroquinolone type II DNA topoisomerase (DNA gyrase) inhibitor antibacterial ." . "Apalcillin (PC-904) is a semisynthetic penicillin (β-lactam) derivative antibacterial . It is highly active against Pseudomonas species. Toxicity issues meant that this compound did not progress beyond preclinical evaluation." . "Avibactam (NXL104) is non-β-lactam β-lactamase inhibitor . It has activity against class A and C serine β-lactamases, including Klebsiella pneumoniae carbapenemases." . "Ceftazidime is a third generation cephalosporin bactericidal antibacterial . The clinically administered drug is the pentahydrate form." . "Aztreonam is a monocyclic β-lactam antibacterial that is resistant to β-lactamase hydrolysis. It was isolated from Chromobacterium violaceum. Functionally it preferentially binds to and inactivates penicillin-binding protein-3 (PBP-3) and thereby inhibits bacterial cell wall synthesis. Aztreonam was removed from the World Health Organization's List of Essential Medicines in 2019." . "Bederocin (REP8839) is an antibacterial. It blocks bacterial protein synthesis by inhibiting methionyl tRNA synthetase ." . "Bluensomycin (U-12898) is an antibacterial with Gram-negative activity ." . "Butikacin (UK-18892) is a semisynthetic aminoglycoside class antibacterial . It has activity against Gram-positive bacilli." . "Cadazolid (ACT-179811) is a quinolonyl-oxazolidinone (quinoxolidinone) antibacterial with Gram-positive activity. It targets the bacterial protein synthesis machinery by binding to the peptidyl transferase centre (PTC) of the ribosome ." . "Carbenicillin is a broad-spectrum, semi-synthetic carboxypenicillin antibacterial. It has Gram-negative activity, including against Pseudomonas aeruginosa, but has limited Gram-positive coverage. It is sensitive to β-lactamase degradation." . "Sulbactam is a β-lactamase inhibitor that is used to limit degradation of β-lactam antibacterials. Its synergy with β-lactam antibacterials against some multiply drug-resistant Enterobacteriaceae and Pseudomonas species is reported to be inconsistent, likely as it cannot inhibit the AmpC cephalosporinase expressed by these species ." . "Cefazaflur (SK&F 59962) is a semisynthetic first generation cephalosporin antibacterial . It did not progress beyond preclinical development. Cefazaflur binds to and inactivates penicillin-binding proteins (PBPs) and thereby disrupts normal bacterial cell wall assembly." . "Cefclidin (E1040) is a fourth-generation cephalosporin antibacterial that disrupts cell wall formation . It exhibits strong antibacterial activity against glucose non-fermentative bacillus bacteria, but is ineffective against gram-positive cocci." . "Cefepime is a semisynthetic, broad-spectrum, fourth-generation cephalosporin antibacterial . It was removed from the World Health Organization's List of Essential Medicines in 2019." . "Cenobamate (YKP-3089) is an oral anti-epilepsy drug. Pharmacological evidence shows that it acts as a positive allosteric modulator (PAM) at GABAA channels and as an inhibitor of the INaP current via voltage-gated sodium channels in isolated rat hippocampal neurons." . "Taniborbactam (VNRX-5133) is a clinical stage, injectable, broad-spectrum β-lactamase inhibitor. It has activity against both serine- and metallo-β-lactamases (e.g. oxacillinase, Klebsiella pneumoniae carbapenemase, New Delhi metallo-beta-lactamase, Verona integron-encoded metallo-beta-lactamase and extended spectrum beta-lactamase) . Taniborbactam is being developed by Venatorx Pharmaceuticals." . "Cefetecol (GR69153) is a broad-spectrum, fourth-generation (catechol-substituted) parenteral cephalosporin antibacterial . It was designed to be active against Gram +ve and -ve bacilli that cause enteric infections, but development was terminated." . "ETX0282 is a broad spectrum inhibitor of Class A and C serine β-lactamases (including the carbapenemases KPC-2, OXA-24 and OXA-4) that is being developed by Entasis Therapeutics. It is the orally bioavailable prodrug of ETX1317 ." . "Cefiderocol (S-649266) is a novel parenteral cephalosporin antibacterial with Gram-negative activity including against multi-drug resistant bacteria . Chemically it is a catechol-conjugated siderophore cephalosporin. It was developed to treat bloodstream infections, hospital-acquired and ventilator-associated bacterial pneumonia, and complicated urinary tract infections. It can be formulated as the sulphate tosylate complex. Cefiderocol was the first siderophore class antibacterial to be approved by FDA." . "Cefluprenam (E-1077) is a parenteral cephalosporin antibacterial . It exhibits broad in vitro antibacterial activity against gram-positive and gram-negative bacteria." . "Cefmatilen (S-1090) is an orally-active cephalosporin antibacterial hat was first reported in the mid 1990s . It is highly active against a variety of Gram-positive and Gram-negative bacteria, including Streptococcus pyogenes and Neisseria gonorrhoeae in vitro." . "Cefpimizole (U 63196E) is a third-generation cephalosporin antibacterial with activity against Gram-positive and Gram-negative bacilli ." . "Cefpodoxime (proxetil) is a broad-spectrum, oral, third generation cephalosporin antibacterial that is active against most Gram-positive and Gram-negative bacteria ." . "ETX1317 is the active moiety of the prodrug . It is a novel, broad spectrum, serine β-lactamase inhibitor of the diazabicyclooctane (DBO) class . ETX1317 restores and enhances activity of β-lactam antibacterials against multidrug resistant Enterobacteriales, including carbapenem-resistant strains." . "Cefsulodin is a semi-synthetic, third-generation cephalosporin antibacterial. It is active against Pseudomonas aeruginosa and Staphylococcus aureus, but little activity against other bacteria ." . "Ceftiolene is a semisynthetic, broad-spectrum, third-generation cephalosporin antibacterial ." . "Ceftizoxime is a semisynthetic, broad-spectrum, β-lactamase-resistant, parenterally administered third-generation cephalosporin antibacterial with Gram +ve and Gram -ve activity. Unlike other third-generation cephalosporins, ceftizoxime's C-3 side chain has been removed to prevent deactivation by hydrolytic enzymes." . "Ceftizoxime alapivoxil is a third-generation cephalosporin antibacterial ester prodrug ." . "Ecenofloxacin (CFC-222) is a novel fluoroquinolone antibacterial with potent antibacterial activities against Gram-positive, Gram-negative, and anaerobic organisms ." . "Ceftobiprole is a clinical stage, broad-spectrum, fifth-generation, pyrrolidinone cephalosporin antibacterial . It was developed as a treatment for hospital-acquired pneumonia (HAP) and community-acquired pneumonia (CAP), in particular those infections caused by methicillin-resistant Staphylococcus aureus (MRSA). In clinical trials ceftobiprole is administered by intravenous infusion as the water-soluble prodrug ceftobiprole medocaril (BAL5788; PubChem CID 135413544)." . "Ceftolozane is a semi-synthetic, broad-spectrum, fifth-generation cephalosporin antibacterial with activity against certain Gram-negative (e.g. Pseudomonas spp.) and Gram-positive bacteria ." . "Tazobactam (CXA-201) is a β-lactamase inhibitor with antibacterial activity . It is used alongside β-lactam-containing antibacterials to reduce their lactamase-induced degradation. Chemically tazobactam is a penicillin derivative, that binds as an irreversible inhibitor of β-lactamase." . "Cetefloxacin is a fluoroquinolone class antibacterial ." . "Cethromycin is an orally bioavailable ketolide antibacterial that is structurally related to . It was developed by Abbott Laboratories for potential to treat respiratory infections, including community acquired pneumonia (CAP) and for the prevention of post-exposure inhalational anthrax ." . "Cetocycline is an atypical tetracycline type antibacterial . It is effective against tetracycline resistant bacteria suggesting that its mechanism of action is different to that of tetracycline ." . "Clinafloxacin is a fluoroquinalone antibacterial that inhibits bacterial DNA topoisomerase." . "Colistin is a cyclic polypeptide (IUPAC condensed sequence Unk-Dab-Thr-Dab-Dab(1)-Dab-D-Leu-Leu-Dab-Dab-Thr-(1)) antibacterial from Bacillus colistinus. It contains Polymyxins E1 and E2 and acts as a detergent on cell membranes." . "Contezolid is an oxazolidinone antibacterial against Gram-positive pathogens , including methicillin-resistant Staphylococcus aureus (MRSA), penicillin-resistant Streptococcus pneumoniae, penicillin-intermediate S. pneumoniae (PISP), and vancomycin-resistant enterococci (VRE). Its orally delivered prodrug is (MRX-4). Contezolid targets protein synthesis by binding to the V region of the bacterial 23S rRNA." . "Contezolid acefosamil is delivered as the sodium salt, which is represented by PubChem CID 131750213. We show the structure for the parent molecule here. The active moiety acts as a potent oxazolidinone antibacterial against Gram-positive pathogens ." . "Eperezolid is a oxazolidinone antibacterial. It inhibits protein synthesis by blocking function of the bacterial 50S ribosomal subunit. Eperezolid is not as potent as , which was the first oxazolidinone to be approved for clinical use." . "Dalfopristin is a semi-synthetic derivative of streptogramin A. It inhibits the early phase of protein synthesis in the bacterial ribosome by binding to the 70S subunit. It is administered intravenously." . "Quinupristin is a semi-synthetic derivative of streptogramin B. It inhibits the late stage of protein synthesis by binding to the bacterial 50S ribosomal subunit." . "Delafloxacin is a fourth generation fluoroquinolone class antibacterial. It has a good spectum of activity against gram-positive bacteria and some atypical pathogens." . "Diacerein is a prodrug which is metabolized to rhein. It has anti-inflammatory activity via antagonism of the interleukin-1 receptor. It is an anthraquinone type compound and growth-inhibitory effects of diacerein have been shown against various drug-resistant staphylococcal strains ." . "Difloxacin is a second-generation, synthetic fluoroquinolone antibacterial. It has broad-spectrum activity against Gram +ve and Gram -ve bacteria." . "Eravacycline is a parenteral tetracycline antibacterial." . "Evernimicin (SCH 27899) is an aminoglycoside antibacterial. It inhibits bacterial protein synthesis and is active against a number of Gram-positive organisms including MRSS and MRSA." . "Fandofloxacin (DW-116) is an oral fluoroquinolone antibacterial ." . "Faropenem is a β-lactam antibacterial with Gram-negative activity. It was developed for the treatment of community acquired pneumonia." . "Finafloxacin is a fluoroquinolone antibacterial." . "Fludalanine is a small alanine derivative that acts as bacterial cell wall component mimetic and antibacterial." . "Gatifloxacin is a synthetic fourth-generation fluoroquinolone antibacterial with broad-spectrum activity against Gram-negative and Gram-positive pathogens." . "Mesdopetam (IRL790) is an experimental small molecule compound with psychomotor stabilizing properties. The primary target is the dopamine D3 receptor, a target implicated in the generation of levodopa-induced dyskinesia, a side-effect frequently occurring with long-term levodopa treatment in patients with Parkinson's disease." . "A short-acting, potent GABAA receptor agonist." . "Fosfomycin is a phosphonic acid antibacterial, with broad antibacterial activity against Gram +ve and Gram -ve pathogens . It was originally isolated from certain types of Streptomyces, but it is now made synthetically." . "We show the structure of the parent molecule here. The INN represents the chloride salt form (NF-963, CAS number 5118-17-2) . Furazolium is a nitrofuran-derivative with antibacterial activity against Gram +ve and Gram -ve pathogens . It was developed by Eaton Laboratories in the late 1960s and was tested against skin infections, but never reached clinical approval." . "Fusidic acid is an orally bioavailable fusidane antibacterial with activity against Gram +ve pathogens ." . "CPN-223 is a neuromedin U receptor 1 (NMUR1) partial agonist . It has been optimised for NMUR1-selectivity and serum stability." . "Gepotidacin (formerly GSK2140944) is a novel, first-in-class, triazaacenaphthylene antibacterial that inhibits bacterial DNA gyrase and topoisomerase IV via a unique mechanism . It was developed for potential to treat conventional and biothreat pathogens including MRSA, respiratory tract infections, acute bacterial skin and skin structure infections (ABSSI) , and uncomplicated urogenital gonorrhea ." . "Grepafloxacin is a quinolone antibacterial ." . "Ibafloxacin is a quinolone antibacterial with activity against Gram -ve and Gram +ve pathogens . It was not progressed to clinical evaluation in humans." . "Iclaprim is a dihydrofolate reductase (DHFR) inhibitor that reduces folic acid synthesis. It is a diaminopyrimidine antibacterial that has broad-spectrum activity against Gram +ve pathogens . Iclaprim is a racemic mixture of stereoisomers. We show the 'flat' structure to represent the mixture." . "Levopropicillin (levopropylcillin) is a penicillin type antibacterial, with activity against Staphylococci but it is not stable to penicillinase." . "Imipenem is a broad-spectrum, semi-synthetic, intravenous β-lactam carbapenem derived from thienamycin." . "Iseganan is a synthetic protegrin peptide with bactericidal, fungicidal and antiendotoxin activities ." . "Lascufloxacin (KRP-AM1977Y) is an investigational intravenous fluoroquinolone antiobiotic that was developed for lower respiratory tract infections . It is effective against both aerobic and anaerobic bacteria, and is highly distributed in the lung." . "Lefamulin (BC-3781) is a pleuromutilin class antibacterial . It is active against pathogens that commonly cause community-acquired bacterial pneumonia (CABP) and acute bacterial skin and skin structure infection (ABSSSI) ." . "Lenapenem (BO-2727) is a parenteral carbapenem class antibacterial . It is active against methicillin-resistant staphylococci and has antipseudomonal activity ." . "Linezolid is a synthetic oxazolidinone class antibacterial with activity against Gram-positive pathogens . It also has activity as a MAO (monoamine oxidase) inhibitor." . "Maridomycin is an experimental macrolide antibacterial that was developed by Takeda." . "Meropenem is a parenterally delivered, broad-spectrum carbapenem antibacterial. It is active against Gram-positive and Gram-negative bacteria, and is effective against aerobic and anaerobic pathogens including Klebsiella, E. coli, Enterococcus, Clostridium spp." . "Mideplanin is an experimental glycopeptide antibacterial, that is a semisynthetic amide derivative of teicoplanin ." . "Minocycline is a tetracycline antibacterial that has activity against Gram-negative and Gram-positive bacteria." . "Murepavadin is a cyclic β hairpin peptidomimetic based on the cationic antimicrobial peptide protegrin I. It targets the outer membrane of Gram-negative pathogens ." . "Nafithromycin (WCK-4873) is a ketolide antibacterial with Gram-positive activity ." . "Narasin is an anti-protozoal agent with activity against Coccidia parasites (e.g. Toxoplasma gondii). It also has limited antibacterial activity against Gram +ve bacteria." . "Nemonoxacin is a non-fluorinated quinolone antibacterial with broad-spectrum activity against Gram-positive and Gram-negative bacteria and atypical pathogens, including methicillin-resistant S. aureus (MRSA) and vancomycin-resistant pathogens . It selectively inhibits bacterial DNA topoisomerase (DNA gyrase) activity." . "Nifurprazine is an antimicrobial nitrofuran drug. It may have trypanocidal activity ." . "Olamufloxacin (HSR-903) is a low toxicity synthetic fluoroquinolone antibacterial agent . It inhibits supercoiling by Escherichia coli DNA gyrase, but it is much less active against human topoisomerase II ." . "Omadacycline (PTK-0796) is an oral, tetracycline-like antibacterial ." . "Oxantel is an anthelmintic agent. In addition, it inhibits fumarate reductase, an enzyme that is crucial for the survival of pathogenic bacteria in the biofilm in periodontal pockets. It has been suggested that oxantel might guard against chronic periodontitis, but efficacy of this potential antibacterial function is yet to be confirmed ." . "Ozenoxacin is a non-fluorinated quinolone antibacterial." . "Pafuramidine (DB-289) is a prodrug which generates the active moiety DB-75 which exhibits antiprotozoal and antifungal activities . It is a pentamidine-related dicationic molecule. Mechanistically, the drug binds to the minor groove of DNA. It has activity against parasites and also Mycobacterium tuberculosis." . "Paldimycin is a mixture of Paldimycins A (CAS 94555-00-7; CID 139597408) and B (CAS 94555-01-8; CID 139597428) which are also known as U-67963 and U-67964 which were derived from paulomycins A and B. It acts as a protein synthesis inhibitor. Paldimycin exhibited good antibacterial activity against Gram-positiive pathogens ." . "Pirazmonam ia a siderophore monobactam type antibacterial, with activity against Gram-negative pathogens ." . "Pirbenicillin is a semisynthetic penicillin with antibacterial activity against Gram-positive and Gram-negative bacteria ." . "We obtained the chemical structure for sucunamostat from WHO Proposed list 125 of July 2021. The chemical structure of sucunamostat is identical to the disclosed structure of the small molecule, reversible enteropeptidase (TMPRSS15) inhibitor SCO-792 ." . "A2315 (plauracin) is a new member of the virginiamycin family of antibacterials. Physical and chemical data indicate that it is related to ostreogrycin A. The INN record states that plauracin is a complex, isolated from Actinoplanes auranticolor ATCC 31011, allocates CAS registry number 62107-94-2, but does not provide a chemical structure. A proposed chemical structure for one component (A2315A) is presented in , which generates the SMILES string used here. This maps to PubChem CID 10368807. The structure of the other component is unclear." . "Plazomicin is a semisynthetic derivative of and belongs to the aminoglycoside class of antibacterial compounds ." . "Premafloxacin is a fluoroquinolone antibacterial with activity against Gram-positive abd Gram-negactive pathogens ." . "Radezolid (RX-1741) is an oxazolidinone class antibacterial. It has activity against Gram-positive and Gram-negative bacteria." . "Ranimycin is a lincosamide antibacterial, that was derived from a variant of Streptomyces lincolnensis." . "Razupenem is a penem class antibacterial. It inhibits cell wall synthesis, and is active against Gram-negative and Gram-positive bacteria ." . "Relebactam is a β-lactamase inhibitor ." . "Ridinilazole (SMT19969) is an oral small molecule antibacterial that was developed to treat Clostridioides difficile infection. It exhibited potent bactericidal activity against all strains of C. difficile tested in vitro, and in in vivo models ." . "Ritipenem (FCE 22101) exhibits broad-spectrum bacteriolytic activity . Its activity profile is similar to that of imipenem, but it shows no activity against Pseudomonas aeruginosa. It is delivered as the orally bioavailable prodrug ritipenem acoxyl (Penemac®, FCE-22891)." . "Rosaramicin is a macrolide antibacterial. It has activity against Neisseria gonorrhoeae, Chlamydia trachomatis, Ureaplasma urealyticum and Mycoplasma hominis." . "Sanfetrinem is a β-lactam antibacterial that has activity against Gram-positive and Gram-negative bacteria . The compound is available as the prodrug sanfetrinem cilexetil (GV 104326)" . "GSK852 is a potent inhibitor of bromo and extra-terminal domain (BET) proteins (e.g. BRD2-4 and BRDT). It has >1000-fold selectivity for the second bromodomain (BD2) of the proteins over their first bromodomain (BD1)." . "Sarafloxacin (A-56620) is a quinolone antibacterial ." . "Sisomicin is a naturally occurring aminoglycoside antibacterial that has activity against Gram-positive and Gram-negative bacteria . It is produced by Micromonospora inyoensis." . "Solithromycin is a next-generation oral and intravenous fluoroketolide (macrolide) antibacterial that has activity against Gram-positive and Gram-negative bacteria ." . "Sparfloxacin is a fluoroquinolone antibacterial. It has a less than ideal side-effect profile that led to its withdrawl from the US market." . "Squalamine was examined for antibacterial activity against Gram-positive and Gram-negative bacteria , but development was discontinued at Phase 2." . "ICI-199441 is a κ opioid receptor agonist ." . "Sulopenem is a β-lactam (carbapenem) antibacterial . It has a broad-spectrum of activity against Gram-negative, Gram-positive and anaerobic bacteria, including multi-drug resistant Gram-negative infections in both the hospital and community settings. Sulopenem is relatively stable against hydrolysis by various β-lactamases. It is being developed for oral and parenteral administration." . "Tacapenem (R-95867) is a β-lactam class antibacterial. It exhibits broad-spectrum antibacterial activity and it is highly stable to β-lactamases. An ester-type prodrug of R-95867, CS-834 (tacapenem pivoxil for oral administration), has been described ." . "Tebipenem pivoxil is an orally available pivaloyloxymethyl ester prodrug of the β-lactam antibacterial tebipenem . The ester bond is cleaved, releasing active tebipenem (PubChem CID 9800194; LJC-11036). The drug has Gram-negative activity. Tebipenem pivoxil hydrobromide (SPR994) is another formulation of the same drug." . "Tedizolid is an oxazolidinone antiobiotic ." . "Temafloxacin (A-62254) is a fluoroquinolone antibacterial ." . "Timcodar (VX-853) is a pyridine compound that was developed by Vertex Pharmaceuticals. It acts as a mammalian and bacterial efflux pump inhibitor. It was proposed to enhance activity of antibacterials such as rifampin, by inhibiting their efflux via bacterial efflux pumps . It was also investigated for potential to prevent efflux of chemotherapy drugs, to enhance cancer treatment, and has been proposed as a possible antiobesity therapy ." . "Tomopenem is a carbapenem antibacterial . It was reported to exhibit enhanced in vitro activity against oxacillin-resistant Staphylococci and Pseudomonas aeruginosa ." . "Trospectomycin is an aminocyclitol. It inhibits the protein synthesis function of the bacterial 30S ribosomal subunit ." . "Vaborbactam is a β-lactamase inhibitor . Structurally it is based on a cyclic boronic acid pharmacophore." . "Viquidacin acts as an inhibitor of bacterial topoisomerse IV and DNA gyrase (topoisomerase II) ." . "Zabofloxacin is a fluoroquinolone antibacterial that inhibits type II and type IV topoisomerases . It has activity against Gram-positive bacteria and against Gram-negative Neisseria gonorrhoeae, including strains that are resistant to other quinolone antibacterials." . "Zidebactam (WCK 5107) is a novel β-lactamase inhibitor . It was developed for the treatment of serious infections caused by highly drug-resistant Gram-negative pathogens." . "Zoliflodacin is an antibacterial that inhibits bacterial DNA gyrase and topoisomerave IV." . "Dalbavancin is a second-generation, semi-synthetic lipoglycopeptide antibacterial . It has been modified to increase activity and allow once-weekly dosing. Dalbavancin inhibits cross-linking of bacterial cell wall peptidoglycans, and thereby disrupts bacterial cell wall synthesis. It has little activity against Gram-negative bacilli ." . "Oritavancin is a semi-synthetic glycopeptide antibacterial drug . It is structurally related to vancomycin, and likewise is active against several Gram-positive organisms including methicillin resistant Staphylococcus aureus (MRSA). Like , it offers the option of single-dose administration." . "Telithromycin is a ketolide antibacterial ." . "Coumamycin is an antibacterial compound, that inhibits bacterial topoisomerase activity , and which has activity against Gram-positive bacteria." . "Gloximonam (SQ 82531) is a monobactam antibacterial . It is potent against all Gram-negative bacteria with the exception of Pseudomonas aeruginosa." . "Compound 16 is reported as an inhibitor of the helicase function of nsp13 of MERS-CoV, and was designed as a potential inhibitor of viral replication . It would be interesting to determine if this activity extends to the SARS-CoV-2 helicase nsp12." . "Asunaprevir (BMS-650032) is an orally bioavailable, oligopeptide-based inhibitor of the nonstructural protein 3 (NS3), from hepatitis C virus (HCV) . NS3, is a serine protease that is essential for proteolytic cleavages within the HCV polyprotein, a function that is key during HCV viral RNA replication. More recently asunaprevir has been reported to inhibit the papain-like protease (PL-pro, nsp3) in a number of coronaviruses ." . "GC-376 is an inhibitor of viral proteases, in particular of the 3CL protease (3CL-pro; Mpro) of coronaviruses and norovirus ." . "Livoletide (AZP-531) is a first-in-class analogue of unacylated ghrelin (UAG) . The exact mechanism of action is still unclear. When UAG is co-administered with ghrelin it is reported to act either as a functional antagonist or is acting via another receptor . Other studies suggest that UAG is a full agonist ." . "Glepaglutide (ZP1848, Zealand Pharma) is a long-acting human glucagon like peptide-2 (GLP-2) analogue with a C-terminal hexa-lysine addition.
The wild type peptide sequence is
HADGSFSDEMNTILDNLAARDFINWLIQTKITD, compared to the glepaglutide sequence which is HGEGTFSSELATILDALAARDFIAWLIATKITDKKKKKK (the hexa-lysine is inderlined).
GLP-2 receptor agonists have therapeutic potential in clinical indications with compromised absorptive capacity at the intestinal mucosa, such as in short bowel syndrome. GLP2 analogues have been designed to be less susceptible to enzymatic cleavage and renal clearance and hence have an improved circulating half-life compared to the endogenous peptide. is already approved but has a once-daily injection regimen, so longer-acting analogues are still of development interest." . "Potent, selective and orally long-acting UT receptor (urotensin II receptor) competitive antagonist inhibiting not only urotensin II receptor but also urotensin related peptide activities. SAR101099 is the hydrochloride, the parent compound structure can be viewed here." . "(R)-ND-336 is an inhibitor of matrix metalloproteases (MMP) -9, -2 and -14 . MMP-9 has been identified as a potential therapeutic target for the treatment of diabetic foot ulcers, where upregulation of active MMP-9 is detrimental to healing. (R)-ND-336 is selective for MMP-9 compared to MMP-8 in this target tissue, and the (S) enantiomer is less active in in vivo wound healing than the (R) enantiomer." . "Adagrasib (MRTX849) is a clinical lead covalent inhibitor of KRASG12C that was designed for anti-cancer potential . It is highly selective as it binds directly to Cys12 of the KRASG12C mutant protein." . "Selgantolimod (GS-9688) is an investigational, selective and orally active TLR8 agonist . It was designed to treat chronic hepatitis B infection." . "ML1-SA1 (EVP-169) is an agonist of TRPML1 ion channels . Structurally it is a tetrachloro analogue of ." . "Barusiban (FE 200440) is an oxytocin receptor antagonist . It was developed by Ferring Pharmaceuticals as a tocolytic agent, to counteract oxytocin-induced myometrial contractions . Chemically it is a synthetic cyclic hexapeptide containing five unnatural amino acids and only one D-amino acid." . "Aviptadil is a vasoactive intestinal peptide analogue, VPAC1 receptor agonist." . "A synthetic glucocorticoid (glucocorticoid receptor agonist) available as an inhaler and nasal spray for various inflammatory indications." . "Cefotaxime is a third generation semisynthetic cephalosporin antibacterial that has broad spectrum activity against Gram positive and Gram negative bacteria. The active Ingredient in medications is cefotaxime sodium." . "Amikacin is a semi-synthetic aminoglycoside antibacterial that is active against a broad spectrum of Gram-negative organisms, including pseudomonas and some Gram-positive organisms (principally Staphylococcus aureus, including some methicillin-resistant strains). It is a kanamycin derivative. Functionally it binds to the bacterial 30S ribosomal subunit and disrupts protein synthesis, thereby creating its bactericidal effect." . "Amoxicillin is a widely used penicillin class antibacterial." . "Ampicillin is a broad-spectrum, semi-synthetic, β-lactam penicillin class antibacterial. It is resistant to hydrolysis by a variety of β-lactamases, so can be to treat a diverse range of infections caused by Gram-positive and Gram-negative infections." . "This is the structure for the anhydrous molecule. Cefaclor is second generation cephalosporin. Distaclor capsules contain cefaclor monohydrate as the active ingredient." . "Cefixime is a broad-spectrum, third-generation, orally active cephalosporin antibacterial." . "Ceftaroline fosamil is a fifth-generation cephalosporin prodrug which is hydrolysed to the active form, ceftaroline, in vivo. It has anti-MRSA activity . Ceftaroline was removed from the World Health Organization's List of Essential Medicines in 2019." . "Cefuroxime is a semisynthetic, second-generation cephalosporin antibacterial. It has broad-spectrum activity and is β-lactamase-resistant. Oral formulations contain the prodrug cefuroxime axetil." . "Chloramphenicol is a semisynthetic, broad-spectrum antibacterial derived from Streptomyces venequelae. Its activity is primarily bacteriostatic." . "Eremomycin (A82846A) is a glycopeptide, parenteral antibacterial with Gram-negative activity that was isolated from Actinomycete strain INA-238 . It was discovered to be highly toxic in vivo, but a derivative was subsequently developed as ." . "Ciprofloxacin is a synthetic, broad spectrum second generation fluoroquinolone antibacterial." . "Clarithromycin is a semisynthetic macrolide antibacterial. Structurally it is the 6-O-methyl ether of erythromycin A." . "Daptomycin is a semi-synthetic cyclic lipopeptide antibacterial with broad-spectrum activity against Gram-positive bacteria. It is a bacterial metabolite that was isolated from Streptomyces roseosporus. Daptomycin rapidly depolarizes the bacterial cell membrane which disrupts DNA, RNA and protein synthesis and results in cell death.
This antibacterial was removed from the World Health Organization's List of Essential Medicines in 2019." . "Demeclocycline is a tetracycline antibacterial which was derived from a mutant strain of Streptomyces aureofaciens." . "Poststatin is produced by Streptomyces viridochromogenes MH534-30F3 . It acts as an inhibitor of prolyl endopeptidase." . "Ertapenem is a carbapenem and broad-spectrum β-lactam antibacterial." . "α4β1/3δ GABAA receptor orthosteric agonist." . "BAY1125976 is an allosteric inhibitor of AKT1 and AKT2 that is being developed by Bayer for oncology potential. It is claimed as example 5 in Bayer's patent WO2012136776A1 ." . "Fidaxomicin is a narrow-spectrum, semisynthetic, macrolide antibacterial. It was isolated from the hamdenensis subspecies of actinomycete Dactylosporangium aurantiacum." . "Flucloxacillin is a narrow-spectrum, semisynthetic penicillin (β-lactam) antibacterial. It is β-lactamase stable." . "Levofloxacin is a broad-spectrum, third-generation fluoroquinolone antibacterial." . "Lymecycline is a tetracycline-based broad-spectrum antibacterial . It is substantially more soluble than tetracycline, so can be used at lower doses. Lymecycline also has anti-protozoal activity." . "Methenamine is a heterocyclic organic compound. It is metabolised to formaldehyde, which acts as a nonspecific bactericidal agent. Methenamine is administered as the hippuric acid salt, methenamine hippurate (PubChem CID 21945)." . "Metronidazole is a synthetic nitroimidazole derivative that exhibits antiprotozoal and antibacterial (against anaerobic bacteria) activities. It also acts as a a radiosensitising agent in tumour cells." . "Moxifloxacin is a fourth generation fluoroquinolone antibacterial. Compared to earlier generation fluoroquinolones it has expanded activity against Gram-positive bacteria and some atypical pathogens." . "DS-8587 is a broad-spectrum fluoroquinolone antibacterial . It has antimicrobial activity against both Gram-positive and Gram-negative pathogens." . "Mupirocin was initially isolated from Pseudomonas fluorescens. It is an unsaturated ester of 9-hydroxynonanoic acid. Functionally, it binds to bacterial isoleucyl-tRNA synthetase and disrupts isoleucine incorporation into bacterial proteins. This is a unique mechanism of action.

Isoleucine utilization has also been shown to be an essential pathway in P. falciparum and a potential target for antimalarial drug discovery . The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "The metabolically reduced form of nitrofurantoin is highly reactive, and disrupts many processes that are crucial for bacterial cell growth/survival. Organisms are said to be susceptible to nitrofurantoin if their minimum inhibitory concentration (MIC) is ≤32 μg/ml or less." . "Ofloxacin is a second generation fluoroquinolone antibacterial." . "Oxytetracycline is a tetracycline class antibacterial. It has activity against Gram-positive and -negative bacteria, including Mycoplasma pneumoniae, Pasteurella pestis, Escherichia coli, Haemophilus influenzae, and Diplococcus pneumoniae." . "NSC-84963 is a selenadiazole derivative antibacterial with Gram-positive activity ." . "Phenoxymethylpenicillin is a β-lactam, natural penicillin antibacterial. It has broad-spectrum activity against Gram-positive aerobes, limited activity against Gram-negative organisms, and is not generally used against anaerobes." . "Piperacillin is a broad-spectrum semisynthetic, ampicillin-derived antibacterial." . "Pivmecillinam is a penicillanic acid ester prodrug of mecillinam, and is a semisynthetic, broad spectrum β-lactam penicillin antibacterial. It is considered to be active only against Gram-negative bacteria." . "Streptomycin is an aminoglycoside antibacterial drug. Notably streptomycin was the first antibacterial cure for tuberculosis. As with other aminoglycosides, the most concerning side effects are renal and ear toxicities ." . "NSC-93169 is a selenadiazole derivative antibacterial with Gram-positive activity ." . "Teicoplanin is a glycopeptide antibacterial drug . Its spectrum of activity similar to that of vancomycin, with activity against Gram-positive bacteria including Staphylococci and Clostridium spp." . "Telavancin is a glycopeptide antibacterial drug that is derived from vancomycin . It is used to treat Gram-positive infections, including MRSA." . "Temocillin is a penicillinase (β-lactamase)-resistant penicillin that is active against Gram-negative bacteria. It is primarily used to treat infections caused by multiple drug-resistant strains of Enterobacteriaceae, especially those that produce extended-spectrum β-lactamase or AmpC β-lactamase. Temocillin is not effective against Acinetobacter species or Pseudomonas aeruginosa." . "Tetracycline is a long-used oral antibacterial. It has broad spectrum activity against aerobic and anaerobic bacteria, both Gram-negative and Gram-positive. Pseudomonas aeruginosa and Proteus spp. have natural resistance to tetracyclines. Acquired resistance to tetracycline is now commonplace." . "Decaplanin is a glycopeptide antibacterial that was developed for Gram-positive activity ." . "Ticarcillin is a broad-spectrum, semi-synthetic, parenteral penicillin (β-lactam) antibacterial for the treatment of Gram-negative bacteria. Bacteria that express β-lactamases are resistant to ticarcillin." . "Tobramycin is an aminoglycoside antibacterial that was originally isolated from Streptomyces tenebrarius. It is particularly effective against Gram-negative infections (especially Pseudomonas spp. infections). Like other aminoglycosides it is ototoxic and nephrotoxic." . "Trimethoprim is a synthetic molecule with antibacterial and antiprotozoal activities. Mechanistically, it inhibits bacterial dihydrofolate reductase and disrupts the conversion of dihydrofolic acid to tetrahydrofolic acid which ultimately inhibits bacterial DNA synthesis. Sulfonamide drugs potentiate trimethoprim's activity." . "Acetylcysteine is a prodrug for L-cysteine synthesis, and L-cysteine is a precursor to the biologic antioxidant glutathione. Hence adminstration of acetylcysteine replenishes glutathione stores." . "Vancomycin is a complex glycopeptide antibacterial that was originally isolated from Streptomyces orientalis. It has bactericidal activity against most organisms and is bacteriostatic vs. enterococci. Semisynthetic derivatives such as , and are now available for clinical use." . "Sulfamethoxazole is a sulfonamide antibacterial that has bacteriostatic activity. It inhibits the bacterial dihydropteroate synthase pathway which generates the folic acid that is essential for bacterial growth. It is active against Gram-negative and Gram-positive bacteria including Listeria monocytogenes and E. coli." . "Dapsone is a sulfonamide-related antibacterial, antimalarial and anti-inflammatory drug. In bacteria it inhibits dihydropteroate synthase-mediated production of folic acid, which has the effect of disrupting the availability of thymidylate for DNA synthesis.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Cefazolin is a β-lactam and first-generation cephalosporin antibacterial." . "GRK2 subfamily-selective inhibitor." . "Hedamycin is a microbial metabolite with antibacterial, antitrypanosomal and antitumour activities. It triggers cytotoxic DNA damage in human cells ." . "Cefotetan is a semi-synthetic, broad-spectrum, β-lactamase-resistant, second-generation cephalosporin antibacterial. Because of its inhibitory activity towards human aldehyde dehydrogenase, cefotetan produces an effect to ethanol similar to that produced by (Antabuse)." . "Cefoxitin is a parenteral, second-generation cephamycin, β-lactam antibacterial. The 7-alpha-methoxy functional group within the structure makes cefoxitin highly resistant to hydrolysis by some β-lactamases. Methicillin-resistant Staphylococcus aureus has acquired resistance to cefoxitin, via expression of the gene for penicillin binding protein 2a (PBP2a). Cefoxitin is active against a broad range of Gram-negative and Gram-positive bacteria, including anaerobes. It is inactive against most strains of Pseudomonas aeruginosa and many strains of Enterobacter cloacae." . "Biased agonist of the S1P1 receptor which preferentially activates downstream G protein signaling to a greater extent than β-arrestin and internalization signaling pathways." . "A component of natural medicinal honeys, blocks the ion conductance but not the water flux through human Aquaporin-1 (AQP1) channels, and impairs AQP1-dependent cell migration and invasiveness in cancer cell lines." . "A potent compound targeting oncogenic c-Myc ubiquitin-proteasomal degradation in lung cancer cells." . "Phleomycins are a group of glycopeptide antibacterials found in Streptomyces species. They also possess anti-cancer activity through intercalation into DNA and disruption of the double helix." . "Lincomycin is a lincosamide antibacterial that has activity against Gram-positive and anaerobic bacteria . It was isolated from the actinomycete Streptomyces lincolnensis. Pathogenic species of bacteria that are sensitive to lincomycin include Streptococcus, Staphylococcus, and Mycoplasma." . "Nafcillin is a semi-synthetic naphthalene, penicillinase resistant β-lactam antibacterial." . "Oxacillin is a semi-synthetic penicillinase-resistant and acid-stable, a parenteral β-lactam (penicillin) antibacterial. It has replaced methicillin in clinical use." . "ELX-02 is a compound designed to restore CFTR function in people with CF who have nonsense mutations. Nonsense mutations (also known as “x” or “stop” mutations) in the CFTR gene cause the production of CFTR protein to stop prematurely. ELX-02 is intended allow lung cells to override these premature stop signals and make full-length, functional CFTR protein." . "Inhibitor of bone morphogenetic proteins (BMP) signaling which is required for growth and patterning of the neural tube and somite. Noggin is an inhibitor of several bone morphogenetic proteins (BMPs): it inhibits at least BMP2, BMP4, BMP5, BMP6, BMP7, BMP13, and BMP14." . "Compound 12f is a orally bioavailable, selective inhibitor of NF-κB inducing kinase (NIK; MAP3K14) ." . "Tenofovir is a nucleotide reverse transcriptase inhibitor (NtRTI) antiretroviral compound. The R-enantiomer, as shown here, is more effective at inhibiting retroviruses than the S-enantiomer . Tenofovir has poor oral bioavailability and is delivered as either the prodrug tenofovir disoproxil fumarate (Viread®) or tenofovir alafenamide fumerate (Vemlidy®)." . "Indanomycin (X-14547A) is an ionophore antibacterial . It is synthesised by Streptomyces antibacterialus NRRL 8167 (a soil dwelling microbe) and is active against Gram-positive bacteria in vitro." . "DuP 105 is an oxazolidinone antibacterial . It has activity against Gram-positive bacteria." . "Nojirimycin is an aminoglycoside antibacterial with Gram-negative activity . It is produced by Streptomyces species, and chemically is an iminosugar." . "Ethyl bromopyruvate has broad-spectrum antibacterial activity against Gram-positive and Gram-negative bacteria ." . "Hesperetin is a natural flavonoid. It has antibacterial activity against Gram-negative H. pylori ." . "DuP-721 is an oxazolidinone antibacterial with Gram-positive and Gram-negative activity . It was developed for activity against Staphylococcus aureus, and has equal activity against methicillin-sensitive and methicillin-resistant strains ." . "Spenolimycin, is a spectinomycin-like, aminocyclitol antibacterial . It was isolated from Streptomyces gilvospiralis sp. nov." . "Neopyrrolomycin is a chlorinated phenylpyrrole antibacterial, with Gram-positive and Gram-negative activities that was isolated form a Streptomyces species ." . "CGP 31608 is a semisynthetic penem derived antibacterial, with Gram-positive and Gram-negative activities ." . "Altromycin B is a pluramycin-like, anthraquinone antitumour antibacterial that was developed for Gram-negative activity . It was isolated from a soil-dwelling actinomycete, AB 1246E-26. As it is a DNA minor groove binder and DNA alkylator it is likely highly toxic." . "Ficellomycin is an antibacterial produced by Streptomyces ficellus . It has Gram-positive activity." . "Ferrimycin A is an iron-containing sideromycin antibacterial . It is produced by soil-dwelling Streptomyces galilaeus." . "Lysinomicin is a broad-spectrum aminoglycoside antibacterial with Gram-negative and Gram-positive activities. It is particularly active against resistant bacteria." . "Katanosins (lysobactins) are antibacterial compounds . They have been isolated from Cytophaga or the Gram-negative bacterium Lysobacter sp . Katanosin B is also known as lysobactin. This can now be chemically synthesised . Katanosins target bacterial cell wall biosynthesis and they are potent against problematic Gram-positive hospital pathogens such as staphylococci and enterococci." . "Potent, selective non-peptide PAR1 antagonist. Marketed as SCH-79797 dihydrochloride.

Other biological activity: SCH-79797 has been reported to exhibit antibacterial activity against Gram-positive and -negative bacteria, including MRSA and other clinically significant bacterial pathogens, with a low frequency of resistance in vivo . The authors show that SCH-79797 targets both bacterial folate metabolism and membrane integrity to mediate its antibacterial effect." . "Teixobactin is a small natural peptide produced by soil-dwelling bacteria . It blocks bacterial cell wall synthesis , but using a different mechanism to other cell wall inhibitor antibacterial drugs." . "Irresistin-16 is a derivative of , that was designed to increase antibacterial potency ." . "Plays an important role in the regulation of cell proliferation, cell differentiation and cell migration. Required for normal ossification and bone development. Stimulates hepatic and intestinal proliferation." . "Macquarimicin A was originally isolated as a microbial metabolite from Micromonospora chalcea . A synthetic pathway to generate the Macquarimicin A structure has subsequently been reported . It has some limited antibacterial activity, and has actvity as a neutral sphingomyelinase (N-SMase, sphingomyelin phosphodiesterase) inhibitor ." . "Feldamycin is a naturally occurring antibacterial agent produced by Streptomyces ficellus . Its in vitro antibacterial activity was not reproduced in rodent infection models. Feldamycin can be made using synthetic chemistry ." . "L-708365 is an azalide derivative of erythromycin . It has improved acid stability compared to erythromycin, azithromycin and clarithromycin." . "BAL19403 is an experimental macrolide antibacterial . It has in vitro activity against propionibacteria, including erythromycin- and clindamycin-resistant propionibacteria, and exhibits some anti-inflammatory activity. It was proposed as a topical agent for mild to moderate inflammatory acne vulgaris." . "DC-159a is a fluoroquinolone antibacterial ." . "AN0128 is a borinic acid picolinate ester with anti-bacterial and anti-inflammatory activities . It was proposed as a treatment for dermatological conditions and as a component for anti-bacterial toothpaste ." . "Plusbacin A3 was isolated from Pseudomonas sp. PB-6250 . It acts as a peptidoglycan synthesis inhibitor in methicillin-resistant Staphylococcus aureus . Plusbacin A3 can be chemically synthesised ." . "CG400549 is an antibacterial compound that functions by inhibiting bacterial enoyl-ACP reductase (FabI) . It has no activity against Gram-positive bacteria." . "DS-2969b is an orally active antimicrobial compound that acts as a novel DNA gyrase B inhibitor . It has useful activity against Clostridium difficile " . "SRI-20864 is an experimental antibacterial compound. It acts as an inhibitor of bacterial dihydrofolate reductase (DHFR; an antifolate antibacterial), and was generated in a programme that also included SRI-8858 . These compounds were developed to treat trimethoprim-resistant Mycobacterium avium complex (MAC)." . "SRI-20920 is a Mycobacterium avium dihydrofolate reductase (DHFR) inhibitor, anti-folate antibacterial ." . "Cyclothialidine is a potent DNA gyrase inhibitor, isolated from Streptomyces filipinensis following microbial broth screening . It belongs to a novel class of antibacterial compounds, containing a unique 12-membered lactone ring that is partly integrated into a pentapeptide chain, that exhibit broad-spectrum in vitro activity against Gram-positive bacteria. Further development of cyclothialidine has been precluded due to low growth-inhibitory activity against intact bacterial cells but analogues with improved in vivo efficacy have been synthesized ." . "Enduracidin is an experimental antibacterial produced by a strain of Streptomyces fungicidicus found in soil . It has potent antibacterial activity against Gram-positive bacteria." . "CRS3123 is an orally bioative, diaryldiamine compound that inhibits bacterial methionyl-tRNA synthetases in Gram-positive bacteria . It has limited activity against normal anaerobic gut flora (e.g. Clostridium ramosum, bifidobacteria, lactobacilli of the Lactobacillus casei-rhamnosus-plantarum group) and Gram-negative anaerobes." . "Dihydroxybenzofuran has antibacterial activity against Gram-positive bacteria." . "Strictly BRL-42715 is the sodium salt (PubChem CID 6436245); CAS number 102209-75-6) of the parent molecule provided here. BRL-42715 is a β-lactamase-inhibiting penem antibacterial ." . "Etheromycin is an ionophore antibacterial with Gram-positive activity. It appears to be selective for monovalent cations . See also etheromycin sodium (PubChem CID 23667550)." . "BLI-489 is a carbapenem β-lactamase inhibitor ." . "MGB-BP-3 is an antibacterial that inhiits bacterial DNA replication ." . "Oxaquin (DNV3837) is a fluoroquinolone-oxazolidinone antibacterial, with Gram-negative activity. It was developed by Morphochem/Evotec for the treatment of C. difficile infections." . "BC-3205 is pleuromutilin-derived antibacterial with Gram-negative activity ." . "CB01-0371 is an oxazolidinone antibacterial that was developed for antitubercular activity." . "MUT056399 is an inhibitor of bacterial Fabl, the NADH-dependent enoyl reductase from the type II bacterial fatty acid biosynthesis pathway ." . "Dactimicin is an aminoglycoside antibacterial produced by Dactylosporangium matsuzakiense sp. nov.." . "Cationomycin is a polyether, ionophore antibacterial that is produced by Actinomadura azurea sp. nov. . It has Gram-positive activity." . "CB-182804 is a polymixin B analogue. It has activity against Gram-positive bacteria ." . "BAL30072 is a monosulfactam antibacterial with Gram-negative activity ." . "ω-Hydroxyemodin is a polyhydroxyanthraquinone isolated from Penicillium restrictum. It has been investigated as an alternative or adjunctive to conventional antibacterials in the treatment of antibacterial-resistant infections, including invasive skin and soft tissue infections (SSTIs) caused by Staphylococcus aureus ." . "RP60556A is the most potent compound from the benzo[b]naphthyridones, a series of antibacterial compounds active against Gram-positive bacteria including methicillin-resistant Staphylococcus aureus (MRSA) . It was being developed as a topical treatment by Sanofi-Aventis but has been discontinued." . "Ranbezolid is an oxazolidinone class antibacterial with potent activity against a broad-spectrum of Gram-positive bacterial strains, including methicillin-resistant Staphylococcus aureus (MRSA) ." . "Napsamycin C and are uridylpeptide antibacterials, sharing a common structural scaffold with the mureidomycins and pacidamycins. Originally isolated from Streptomyces sp. HIL Y-82,11372, napsamycins have potent activity against Pseudomonas species but not against other Gram-negative or Gram-positive bacteria ." . "AG-122018 is an inhibitor of the peptidyl-prolyl isomerase (PPIase) PIN1 . It is a small molecule that targets the phosphate binding site of the enzyme, and has been designed with a carboxylate replacing the phosphate group. However, this compound is inactive in whole cells assays." . "Napsamycin D and are uridylpeptide antibacterials, sharing a common structural scaffold with the mureidomycins and pacidamycins. Originally isolated from Streptomyces sp. HIL Y-82,11372, napsamycins have potent activity against Pseudomonas species but not against other Gram-negative or Gram-positive bacteria ." . "Verdamicin is an aminoglycoside antibacterial produced by Micromonospora grisea ." . "Vermisporin is an antibacterial produced by the fungus Ophiobolus vermisporis . It has Gram-negative and Gram-positive activity, and has antitubercular activity ." . "Tirandalydigin is a tetramic acid antibacterial produced by Streptomyces tirandis subsp. umidus. ." . "TP-271 is a fully synthetic fluorocycline antibacterial. It has activity against pathogens that cause respiratory tract infections, including complicated community-acquired bacterial pneumonia ." . "Chlorocardicin is a monocyclic β-lactam produced by Streptomyces sp. . It is structurally related to nocardicin A, and has a similar activity profile." . "Mersacidin is a type-B lantibacterial that is produced by Bacillus sp. HIL Y-85,54728. It is active in vivo against methicillin-resistant Staphylococcus aureus (MRSA) ." . "Rancinamycin IA is a lincomycin antibacterial that is produced by S. lincolnensis." . "Kibdelomycin is a broad-spectrum bactericidal agent with activity against aerobic bacteria . It inhibits bacterial growth by inhibiting the bacterial DNA replication enzymes DNA gyrase and topoisomerase IV." . "Chinfloxacin is a synthetic tricyclic fluoroquinolone antibacterial . Its chemical structure is similar to that of ." . "Vertilmicin is a semisynthetic aminoglycoside antibacterial that inhibits bacterial growth by inhibiting protein synthesis. It has Gram-negative and Gram-positive activity ." . "Nodusmicin is an antibacterial produced by the soil-dwelling organism Saccharopolyspors kirsuta strain 367 . It has activity against Gram-negative and Gram-positive bacteria." . "Indolmycin competitively inhibits bacterial tryptophanyl-tRNA synthetases. It has antibacterial activity against MSSA (methicillin-susceptible Staphylococcus aureus), MRSA (methicillin-resistant S. aureus) and VISA (vancomycin-intermediate S. aureus) . The compound also has antimalarial activity .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Lactivicin is the only known natural penicillin-binding protein inhibitor that does not contain a β-lactam structure ." . "DS-1971a is a selective NaV1.7 inhibitor that was developed for peripheral neuropathic pain ." . "BMS-986235 (LAR-1219) is a selective formyl peptide receptor 2 (FPR2) agonist . It is being proposed as a preventative heart failure agent, via promoting resolution of inflammation." . "Potent and selective CRF1 receptor antagonist, Marketed as NBI 35965 hydrochloride." . "Meplazumab is a humanized IgG2 monoclonal antibody that targets CD147 (basigin). It is being developed by Jiangsu Pacific Meinuoke Bio Pharmaceutical.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.

SARS-CoV-2 and COVID-19: SARS-CoV-2 may utilise CD147 as an additional entry receptor to infect host cells . Meplazumab can block this interaction between CD147 and SARS-CoV-2 spike protein." . "Spexin-1 has been identified as an agonist of galanin receptors GALR2 and GALR3 . It is a cleavage product of the 116 amino acid spexin precursor which is cleaved into two chains: spexin-1 and spexin-2 (FISDQSRRKDLSDRPLPE)." . "Oleuropein is one of the main phenolic compounds found in the European olive tree Olea europaea. It has been reported to have a number of pharmacological properties and associated health benefits including anti-inflammatory, anti-atherogenic, anti-cancer, antimicrobial and antiviral activities . Oleuropein and its metabolite hydroxytyrosol have been shown to have strong antimicrobial activity against both Gram-negative and Gram-positive bacteria ." . "TNP-2092 (formerly CBR-2092) is a rifamycin-quinolone hybrid antibacterial compound . It exerts combined effects on bacterial RNA polymerase, DNA gyrase and DNA topoisomerase IV, although RNA polymerase has been reporetd as the primary cellular target . CBR-2092 was developed for potential to treat biofilm associated infections such as those caused by staphylococci . Initial development was by Cumbre Pharmaceuticals, but it is now being taken forward by TenNor Therapeutics, hence the change in research code." . "Corallopyronin A is a polyketide-peptide antibacterial produced by myxobacterium Corallococcus coralloides B035 . It has potent anti-filarial activity ." . "Ibezapolstat is a clinical stage bacterial DNA polymerase IIIC inhibitor that is in development as a novel therapeutic against C. difficile infection ." . "Sch 29482 is a penem antibacterial belonging to the β-lactam group. It is orally absorbed, has activity against both Gram-positive and Gram-negative bacteria (with the exception of Pseudomonas) and exhibits β-lactamase stability . Sch 29482 has been dropped from developed for clinical use ." . "This is a radio-tracer that can be used in competitive GAL2/3 receptor displacement binding assays ." . "IT-62-B is an anthracycline antibacterial that is produced by Streptomyces sp. IT-62 . It has moderate activity against Gram-positive bacteria and has antitumour activity in vitro." . "MC-02479 (RWJ-54428) is a cephalosporin antibacterial with Gram-positive activity ." . "BC-7013 is a pleuromutilin antibacterial. The chemical structure shown here was drawn from Tang et al. (2012) .
In 2007 became the first pleuromutilin approved for use in humans, and was FDA approved in 2019." . "Retapamulin is a pleuromutilin antibacterial ." . "Strictly this is the parent molecule of BRL-44154 which referes to the sodium salt. BRL-44154 is a penicillin class antibacterial that was developed by SmithKline Beecham . It has high stability to β-lactamases." . "DK-507k is a fluoroquinolone antibacterial. Compared to earlier generation fluoroquinolones it has improved activity against Gram-positive bacteria, including strains resistant to available quinolones . DK-507k was being investigated as a potential treatment for community-acquired infections, but development has been discontinued following an analysis of Phase I trial data." . "Originally isolated from Sorangium cellulosum, sorangicin A is a macrocyclic lactone carbonic acid with potent activity against Gram-positive bacteria ." . "DX-619 is a des-fluoroquinolone antibacterial ." . "Sitafloxacin is a broad-spectrum, orally bioactive fluoroquinolone antibacterial ." . "Leinamycin is a macrolactam antibacterial (activity against Gram-positive and gram-negative bacteria) that also has potent anti-tumour activity . It is produced by several species of Streptomyces atroolivaceus. Cytotoxicity against cancer cells hinges upon the compound's 1,3-dioxo-1,2-dithiolane moiety ." . "L-701677is an azalide antibacterial that was developed by Merck. It has improved acid stability compared to , and ." . "LBM-415 is an antibacterial that acts as a peptide deformylase (PDF) inhibitor . It has in vitro activity against pathogenic staphylococci and enterococci, including respiratory tract pathogens such as Streptococcus pneumoniae, Haemophilus influenzae, and Moraxella catarrhalis ." . "M14659 is a parenteral cephalosporin antibacterial . We show he structure for the parent molecule. Biological data may have been generated using the trisodium salt." . "Ro-406890 is a broad spectrum cephalosporin antibacterial . We show the structure for the parent molecule. Biological data may have been generated using the sodium salt. It has also been synthesised as the orally absorbable ester Ro 41-3399 (a.k.a. ceftrazonal bopentil) ." . "SK&F 88070 is a broad-spectrum, β-lactam (cephalosporin) antibacterial ." . "E-1010 is a parenteral carbapenem antibacterial . LIke other carbapenems, it is resistant to hydrolysis by almost all clinically relevant β-lactamases." . "Cefteram is a semisynthetic, broad-spectrum, third-generation oral cephalosporin antibacterial." . "Kaempferol is a flavonol, a type of flavonoid, naturally occuring in a variety of plants. It has antibacterial activity against Gram-negative Helicobacter pylori and is reported to inhibit H. pylori HsrA (homeostatic stress regulator) ." . "Luminamicin is an antibacterial that was isolated from actinomycete strain OMR-59 . It exhibits antibacterial activity against anaerobic bacteria, especially against Clostridium sp. . The chemical stuctures of luminamicin and coloradocin (from an Actinoplanes organism) are identical ." . "LEI-401 is a potent, selective and brain-penetrant inhibitor of N-Acylphosphatidylethanolamine-phospholipase D (NAPE-PLD) . It inhibits NAPE-PLD-mediated N-acylethanolamine (NAE) biosynthesis in vitro and in vivo, an effect that mimics the activity of a cannabinoid CB1 receptor antagonist." . "ARN19874 is an inhibitor of N-acyl phosphatidylethanolamine phospholipase D (NAPE-PLD)." . "E-0702 is a cephalosporin derivative with antibacterial activity against clinical isolates of Gram-positive and Gram-negative bacteria, including the Pseudomonas group . Note that we show the salt stripped structure, but strictly E-0702 is the sodium salt (PubChem CID: 5748775) and any bioactivity data likely relates to this salt form." . "An inhibitor of the signalling G-protein known as Rac 1 (Ras-related C3 botulinum toxin substrate 1), where it acts as a selective inhibitor of Rac1-GEF interaction. Marketed as NSC 23766 trihydrochloride." . "Chalcomycin is a 16-membered macrolide antibacterial, originally isolated from Streptomyces." . "Potent Rac family inhibitor. Marketed as EHT 1864 dihydrochloride." . "Compound 11b is an inhibitor of SARS-CoV-2 main protease (Mpro) . It interacts with Cys145 of Mpro and it inhibits both protease activity and SARS-CoV-2 infectivity in vitro. Compound 11b was discovered in the same series as ." . "PF-956980 is an ATP-competitive, reversible pan-JAK inhibitor . It is a useful commercially available JAK inhibitor tool. In addition to being an inhibitor of kinase activity, it is also reported to dose- and time-dependently reduce levels of JAK2/3 proteins (but not JAK1, as determined by Western blot) in human PBMCs, perhaps via modulating JAK2/3 synthesis . This latter activity seems to be unique to PF-956980, as there are no published reports of depletion of JAK isozymes by any of the other JAK inhibitors (such as )." . "Rac inhibitor." . "Difficidin is a macrocyclic polyene lactone phosphate ester originally isolated from Bacillus subtilis. It has potent antibacterial activity in vitro against a broad spectrum of aerobic and anaerobic organisms ." . "Enteromycin carboxamide is an antibacterial with in vitro Gram-negative and Gram-positive activity ." . "CR8 is a small molecule inhibitor of cyclin-dependent kinases . It is structurally related to (roscovitine). This entry is for the S isomer, which is less inhibitory at glycogen synthase kinase (GSK-3α/β) than the R isomer. Both isomers are equipotent across CDK1, 2, 5, 7, and 9." . "CR8 is a small molecule inhibitor of cyclin-dependent kinases . It is structurally related to (roscovitine). This entry is for the R isomer, which is more inhibitory at glycogen synthase kinase (GSK-3α/β) than the S isomer. Both isomers are equipotent across CDK1, 2, 5, 7, and 9.

(R)-CR8 has been shown to act as a molecular glue degrader that depletes cyclin K , thus behaving as a functional CDK inhibitor. (R)-CR8 binding to CDK12 induces formation of a complex between CDK12-cyclin K and the CUL4 adaptor protein DDB1 which presents cyclin K for ubiquitination and degradation. Of the >8,000 proteins assessed by quantitative proteome-wide mass spectrometry, cyclin K was the only one that was consistently decreased in abundance in response to (R)-CR8 exposure." . "SENS-111 (Seliforant) is an orally available small molecule histamine type 4 receptor antagonist, displaying an inhibitory effect on vestibular neuron activity." . "LASSBio-1524 is an inhibitor of the IKK-β (kappa β kinase inhibitor) enzyme, which participates in the activation of the nuclear factor κB (NF-κB) canonical pathway." . "Example 265 is an inhibitor of acetyl-CoA synthetase 2 (ACSS2) ." . "ADG-207 is an acetate-dependent acetyl-CoA synthetase 2 (ACSS2) inhibitor ." . "Hexachlorophene is used as a topical anti-infective, anti-bacterial agent, and as a soil fungicide, plant bactericide. It exhibits bacteriostatic action against Gram-positive organisms, but is much less effective against Gram-negative organisms. Reported to inhibit N-Acyl-phosphatidylethanolamine phospholipase D (NAPE-PLD) activity ." . "Compound 11a is an inhibitor of SARS-CoV-2 main protease (Mpro) . It interacts with Cys145 of Mpro and it inhibits both protease activity and SARS-CoV-2 infectivity in vitro. Given its low in vivo toxicity and favourable PK profile, 11a is considered to be a valuable lead candidate. Based on commentary in a review by Zhao et al. (2022) , compound 11a appears to be the Mpro inhibitor that is being tested in clinical trials as FB2001 (and which is also known as DC402234)." . "Allosteric modulator of the β2-adrenergic receptor." . "Receptor-interacting Protein Kinase 2 (RIP2) inhibitor. AS3334034 may be useful in the treatment of patients with chronic kidney disease." . "CR3022 is a monoclonal antibody that binds Spike protein (S) of SARS-CoV and SARS-CoV-2 . It was developed from a single chain Fv phage display library derived from lymphocytes from the convalescent plasma of a SARS-CoV patient, and reconstructed into IgG1 format . CR3022 does not compete for binding with antibodies that bind to the ACE2 RBD of S, and acts allosterically to reduce binding to ACE2 . Cryo-EM analysis shows that CR3022 Fab disrupts S conformation, so as to promote conversion to the fusion-incompetent post-fusion state, thus incapacitating the virus's ACE2-dependent infection mechanism . Elucidating the protein-protein interactions that determine SARS-CoV-2/ACE2 binding and viral infection will help to identify ways in which this crucial interaction might the targeted for therapeutic development ." . "Compound 13B is a potent stereoselective mitofusin activator . It was developed as a potential lead compound for the mitochondrial disorder Charcot-Marie-tooth disease 2A, that is caused by mutation in the MFN2 gene. The activator enhances mitochondrial fusion and improves mitochondrial dynamics. It has a favourable ADME profile and in vivo target engagement is observed." . "GRL-0617 is an inhibitor of SARS-CoV and SARS-CoV-2 papain-like proteases (PL-pro) . It is selective for the viral proteases over human proteases. GRL-0617 blocks both PL-pro-mediated actions towards host biological processes and virus replication ." . "Monoclonal antibody 4A8 is a neutralising human antibody that binds to the N-terminal domain of the Spike protein of SARS-CoV-2 . It was isolated from B cells collected from convalescent plasma from COVID-19 patients. 4A8 does not bind the ACE2 receptor binding domain (RBD) of the Spike protein and does not block Spike protein - ACE2 binding." . "TatM2NX is a cell permeable peptide-inhibitor (antagonist) of the transient receptor potential melastatin 2 (TRPM2) ion channel . The M2NX portion of the peptide targets the Nudix motif ADP ribose binding site at the C-terminal of the TRPM2 channel and the N terminus tat-human immunodeficiency virus (HIV) sequence YGRKKRRQRRR mediates cell permeability. TatM2NX can be used as a tool to study TRPM2's role in brain physiology and pathophysiology, and its clinical potential as a novel neuroprotective target for the treatment of neurological diseases." . "PSB-KD107 is a first-in-class non-lipid-like agonist of the orphan G-protein-coupled receptor GPR18 . In a GPR18-dependent β-arrestin recruitment assay, PSB-KD107 is significantly more potent and efficacious than the natural cannabinoid agonist Δ9-tetrahydrocannabinol (THC). PSB-KD107 is selective for GPR18 over the cannabinoid-sensitive receptors CB1, CB2, and GPR55." . "OM-1700 (compound 13) is an orally bioavailable tankyrase inhibitor . It has a more favourable ADME profile than existing tankyrase inhibitors." . "Compound 36 is reported as a first-in-class reversible inhibitor of monoacylglycerol lipase (MAGL) ." . "LIH383 is a highly selective subnanomolar agonist of ACKR3/CXCR7 ." . "HTH-02-006 is a reversible small-molecule inhibitor of the Hippo pathway kinase, NUAK2 . It can be used as a tool compound to investigate the role of NUAK2 in cancer and other Hippo pathway-associated biological processes . HTH-02-006 is a derivative of the prototype NUAK inhibitor . It is active in vivo." . "This is a synthetic, modified analogue of the endogenous galanin receptor 2/3 peptide ligand . It selectively activates signalling via GAL2 and is inactive at the GAL3 receptor ." . "Obatoclax is a small molecule inhibitor of Bcl-2 family proteins. Bcl-2 inhibition induces apoptosis in cancer cells . We have matched the chemical structure to PubChem using the CAS number assigned in the WHO INN record for this drug, but note that various cis/trans isomers have been submitted to PubChem, and also thta the INN record does not in fact stipulate bond rotations. Enclosure of obatoclax in red blood-cell membrane-derived nanoparticles has been tested to overcome the compound's poor solubility ." . "Emetine is a plant metabolite from ipecac root." . "Salinomycin is an ionophore antibacterial, from which was derived. It is primarily used in veterinary practice. Salinomycin has potent antimicrobial activity against Gram-positive bacteria and is inactive against Gram-negative bacteria ." . "Umifenovir is an indole-based antiviral drug. It is a viral entry inhibitor and also acts to modulate the host immune response (induces interferon-production, stimulates macrophages phagocytosis)." . "This is a tetrapeptide truncation of human neuropeptide S (NPS) . It exhibits agonist bias for calcium mobilisation compared to cAMP accumulation in vitro.
HELM annotation is PEPTIDE1{S.F.R.N.[am]}$$$$." . "Nelfinavir is an oral antiretroviral drug. It inhibits human immunodeficiency virus (HIV) protease." . "Δ9-tetrahydrocannabinolic acid is a phytocannabinoid. It is a precursor used in the biosysnthesis of Δ9-tetrahydrocannabinol (Δ9-THC), the principal psychoactive component from the cannabis plant Cannabis sativa." . "Cannabidivarin is a non-psychoactive phytocannabinoid found in plants of the Cannabis species." . "Cannabichromene (CBC) is a phytocannabinoid." . "Cannabigerol (CBG) is a phytocannabinoid that is a biosynthetic presursor for the synthesis of other cannabinoids. It is a minor constituent of herbal cannabis." . "ARRY-371797 is a clinical stage, oral, p38α (MAPK14)-selective kinase inhibitor that was originally developed by Array BioPharma (a Pfizer owned company since mid-2019) for anti-inflammatory and analgesic potential . However, development for chronic inflammatory diseases has since been terminated. No results from completed analgesia trials have been published. Subsequent repositioning has seen the focus transfer to ARRY-371797 for LMNA-related dilated cardiomyopathy. p38α signalling is hyperactivated in mice with cardiomyopathy caused by lamin A/C gene (LMNA) mutation and p38α activation is observed in the hearts from human subjects with LMNA-related dilated cardiomyopathy, thus ARRY-371797 has been advanced as a therapeutic option for this indication." . "This compound was claimed as a MAPK13 (p38δ) inhibitor in patent WO2014015056A2 . MAPK13-IN-1 was proposed for mucous-reducing activity with application in respiratory diseases like asthma and COPD. It was designed to act by reducing MAPK13 signalling-induced mucous production by airway epithelial cells in response to activation by the pro-inflammatory cytokine, IL-13 . MAPK13-IN-1 binds to MAPK13 in DFG-out mode and exhibits slow dissociation kinetics." . "Efineptakin alfa is a long-acting immunoglobulin (Ig) fusion protein composed of recombinant human fused to a hybrid Fc (hyFc) region of a human antibody. It comprises two disulphide bond-linked peptide chains. Efineptakin alfa has hematopoietic and immunopotentiating activities. In the oncology setting IL-7 enhances T-cell-mediated anti-tumour immune responses. Efineptakin alfa is being developed by Genexine (in-licensed to I-MAB Biopharma) and NeoImmuneTech. The peptide sequence of efineptakin alfa is claimed in Genexine's patent WO2016200219A1 as sequence 24 and would appear to be referred to as MGM-IL-7-hyFc therein ." . "Effector studies show that IRL752 acts an antagonist at 5-hydroxytryptamine-7 receptor (serotonin-7, 5-HT7R) and cortical alpha receptor (alpha-2CR) . Being developed for the treatment of impaired balance (postural dysfunction) and falls in Parkinson's disease ." . "Compound 3m is reported as a PDE1 inhibitor . It is proposed for potential to treat idiopathic pulmonary fibrosis." . "Fostemsavir is a phosphonooxymethyl prodrug of temsavir (BMS-626529) . It is classified as an attachment inhibitor . Temsavir binds to HIV envelope glycoprotein 120 (gp120) and thereby blocks viral attachment to the host CD4 molecule on T-lymphocytes. Naturally ocurring HIV-1 gp120 polymorphisms that could impart resistance to fostemsavir are uncommon ." . "Cedazuridine is a tetrahydrouridine-derived, orally available synthetic nucleoside analogue that was developed by Astex Pharmaceuticals. It inhibits cytidine deaminase (CDA) and was designed to be used as a pharmacoenhancer of drugs that are subject to CDA-mediated breakdown, for example the cytidine analogue antineoplastic hypomethylating agent . This mechanism permits oral delivery of decitabine (by inhibiting decitabine degradation in the gut and liver). It also allows lower doses of decitabine to be used, which improves tolerability to this cancer drug, whose administration is associated with GI-toxicity." . "Highly potent and selective Bcl-xL (Bcl-2-like 1) inhibitor." . "GSK2830371 is an orally active, small-molecule inhibitor of metal-dependent Ser/Thr phosphatase PPM1D . Inhibition of PPM1D increases phosphorylation (inhibits dephosphorylation) of PPM1D substrates. GSK2830371 binds at an allosteric position close to PPM1D's catalytic site. Referred to as the 'flap' subdomain, this region is unique to PPM1D compared to other members of the PPM phosphatase family, and this confers PPM1D selectivity. GSK2830371 appears to be effective only in cell lines overexpressing PPM1D and with wild-type TP53 (HGNC:11998). Cell lines with mutant TP53 seem to be resistant to GSK2830371." . "SL-176 is a small molecule inhibitor of the metal-dependent Ser/Thr phosphatase PPM1D . It decreases PPM1D enzyme activity in vitro. Exposure of breast cancer cells overexpressing PPM1D induces G2/M arrest and apoptosis. SL-176's antiproliferative effect is independent of TP53 status." . "LB-100 is a small molecule inhibitor of protein phosphatase 2A (PP2A) . PP2A is a pivotal cellular switch that controls important events that impinge on cellular survival and death, such as cell cycle, apoptosis, and autophagy. PP2A acts on kinase substrates in a number of critical signal transduction pathways (including MAPK, Wnt, PI3K, NF&kappB, PKC, and Ca2+/calmodulin-dependent signalling pathways). PP2A is a validated oncology target. Studies have shown that LB-100 has anti-tumour activity and can sensitise pancreatic cancer to chemotherapy and radiotherapy ." . "E4 is reported as a novel inhibitor of the neutral amino acid transporter B0AT1 (SLC6A19) ." . "VU0409551 is a mGlu5 positive allosteric modulator (PAM) ." . "Example 2 is a covalent inhibitor of the 3CL protease (Mpro) of the SARS-CoV-1 coronavirus . The compound has been shown in complex with SARS-CoV-2 Mpro (see RCSB Protein Database entry 6XHM)." . "TG-0203770 has been reported in complex with the 3CL protease (Mpro) of SARS-CoV-2 and the chemical structure was obtained from RCSB Protein Database entry 7C8R. This interaction remains unpublished so there is not yet any inhibition data that can be curated into the Guide to PHARMACOLOGY. Previous data for other coronaviruses was reported in 2009 . TG-0203770 is an aza-peptide peptidomimetic and its IUPAC condensed nomenclature is Cbz-Thr(tBu)-Leu-Unk." . "PBT2 is an orally administered, safe-in-humans zinc ionophore. Chemically it is an 8-hydroxyquinoline analogue. PBT2 has been classified as a metal-protein attenuating compound (MPAC), and is designed to interfere with zinc ion interactions with proteins.
Antibacterial activity: Whilst not active alone, PBT2 + zinc + antibacterial 'X' acts synergistically to overcome acquired bacterial-resistance to antibacterial 'X' (which can include clinically used antibacterials). This strategy produces activity against antibacterial-resistant Gram-positive pathogens .
SARS-CoV-2: Based on evidence from previous studies in MERS-CoV and SARS-CoV-1, zinc modulation (e.g. by PBT2 or ) has been proposed as a potential mechanism for the prophylaxis/treatment of COVID-19. Altering zinc ion levels is predicted to affect activity of host and/or viral zinc-containing metalloenzymes." . "TCMDC-135051 is a probe molecule identified as a selective inhibitor of P. falciparum cyclin-dependent-like kinase CLK3 (PfCLK3) and is being developed in a hit-to-lead programme .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Ezutromid (SMT C1100) is a clinical stage compound that was developed for its ability to increase expression of utrophin (UTRN; P46939), as a substitute for missing the dystrophin (DMD; P11532) in Duchenne muscular dystrophy (DMD) patients . It is orally active. The aryl hydrocarbon receptor (AhR) has been reported as a molecular target for ezutromid, with ezutromid behaving as an AhR antagonist . Ezutromid and other AhR antagonists up-regulate utrophin, adding to the proposition that this pathway offers disease-modifying potential for DMD." . "SMT022357 is a second-generation, oral utrophin modulator. It was developed from the same chemical series as clinically evaluated , but with a new chemotype . SMT022357 has improved physicochemical and ADME properties compared to ezutromid, and has demonstrated efficacy in dystrophin-deficient mdx mice . The molecular target of SMT022357 has not been reported, but may be the aryl hydrocarbon receptor, in common with ezutromid.

Clinical rationale: Up-regulation of utrophin (UTRN; P46939) as being investigated as a disease-modifying approach for Duchenne muscular dystrophy (DMD). In the mdx mouse DMD model, increased levels of utrophin effectively acts as a substitute for the dystrophin (DMD; P11532) that is missing in DMD ." . "Compound 27 was designed to offer improved clinical potential as a utrophin modulator than either (failed at Phase 2) or (terminated at preclinical) . This entry shows the compound without specified stereochemistry, to represent the racemic mixture. (+)-27 is slightly more active than (-)-27 or the racemate in vitro.

Clinical rationale: Up-regulation of utrophin (UTRN; P46939) as being investigated as a disease-modifying approach for Duchenne muscular dystrophy (DMD). In the mdx mouse DMD model, increased levels of utrophin effectively acts as a substitute for the dystrophin (DMD; P11532) that is missing in DMD ." . "HTL22562 is a calcitonin gene-related peptide (CGRP) receptor antagonist . It was designed for the acute treatment of migraine. The X-ray crystal structure of HTL22562 bound to a CGRP receptor ectodomain heterodimer has been submitted to the RCSB Protein Data Bank (accession ID 6ZHO)." . "DCLK1-IN-1 is reported as a selective inhibitor of the serine/threonine kinases, doublecortin-like kinase 1 and 2 . It was discovered using chemoproteomic profiling and structure-based design, and is an in vivo suitable tool for investigating and characterizing the physiological and pathophysiological roles of these kinases, particularly the role of DCLK1 in cancer and type II immunity in the gut (via epithelial tuft cells). DCLK1-IN-1 shares a chemical scaffold with (an LRRK2 inhibitor) and (an ERK5 inhibitor) which both exhibit off-target activity towards DCLK1. These latter tool compounds also inhibit the bromodomains of the oncology target BRD4. DCLK1-IN-1 was designed to reduce off-target effects and increase DCLK1 selectivity." . "X-165 is a potent, selective, and bioavailable small molecule inhibitor of the LPA synthetic phosphodiesterase, autotaxin . Autotaxin inhibitors are investigated for their anti-fibrotic potential, and X-165 was developed for potential to treat idiopathic pulmonary fibrosis (IPF). Analysis of autotaxin/X-165 complex crystals revealed that this compound binds to a site on the enzyme that is distinct from the binding site of exisiting inhibitors. Its binding pose shares some similarity with that of (GLPG1690), but retains crucial differences." . "E18 is reported as a novel inhibitor of the neutral amino acid transporter B0AT1 (SLC6A19) ." . "Permanently charged sodium channel blocker. This entry shows the compound without the associated bromide ion . In human clinical trials as a topical gel for the treatment of pruritus (itch) associated with atopic dermatitis." . "Belantamab mafodotin (GSK2857916) is a humanised BCMA-targeting antibody-drug conjugate that is in clinical development for multiple myeloma. Mafodotin is the cytotoxic, synthetic antineoplastic monomethyl auristatin F (MMAF; PubChem CID 56841603). Belantamab mafodotin is an IgG1 class antibody so, in addition to its delivery of a cytotoxin, it is predicted to exhibit lytic activity (through complement binding) and/or induce antibody-dependent cell cytotoxicity (ADCC). GlaxoSmithKline claim anti-BCMA ADCs in patent US9273141B2 . SEQ IDs 55 and 63 from US9273141B2 match the full-length heavy chain and light chain sequences respectively, that were submitted to the WHO for the belantamab mafodotin INN." . "Martinostat is an inhibitor of class I HDACs (HDACs 1-3) and class IIb HDAC6. A [11C] radio-isotope-labelled version has been developed for PET imaging ." . "Bavarostat is a histone deacetylase inhibitor with selectivity for the HDAC6 isoform ." . "ACY-738 is an orally-bioavailable histone deacetylase (HDAC) inhibitor . It has some selectivity for HDAC6." . "MC1568 is an inhibitor of class IIa (HDAC4, HDAC5, HDAC6, HDAC7 and HDAC9) and IIb (HDAC6 and HDAC10) histone deacetylases (HDACs) ." . "CB3 is reported as a novel inhibitor of the neutral amino acid transporter B0AT1 (SLC6A19) ." . "DS37001789 is an orally bioactive urotensin II receptor antagonist . It is active in vivo ." . "Litifilimab (BIIB059) is a fully humanized IgG1, CLEC4C (blood dendritic cell antigen 2, BDCA2) targeting monoclonal antibody. It is being evaluated for ability to reduce release of disease-driving interferons (principally IFN-α) in SLE/CLE. BIIB059 was developed by Biogen, based on prior evidence of target engagement and SLE-applicable immunomodulatory efficacy of a humanized mAb against BDCA2 named 24F4A ." . "Dapirolizumab pegol (CDP7657) is a pegylated monovalent Fab' immunomodulator that targets . It was developed by UCB Pharma. Removal of the Fc domain prevented the increased risk of thrombotic events observed with an intact mAb." . "Bindarit is a compound with anti-inflammatory activity. In vitro, that is primarily associated with an inhibition of MCP-1 (CCL2) production and subsequent reduction in monocyte recruitment and differentiation. It has been shown to directly interact with fatty acid binding protein 4 (FABP4) and this is proposed to underlie its mechanism of action . In this mechanism bindarit modulates the phosphorylation state of p38α and AKT2 and selectively increases FABP4 expression, all in a PPARγ-dependent manner, and these effects are associated with a decrease in MCP-1 production." . "PF-07062119 is a bispecific T cell-engaging (BiTE) monoclonal antibody that is being developed by Pfizer . It simultaneously binds to CD3ε on T cells and GUCY2C-positive cancer cells." . "Dopamine D2 receptor antagonist. Approved for clinical use as an antiemetic agent." . "Cloxacillin is a semisynthetic beta-lactamase resistant penicillin antibacterial . It has less potent antibacterial activity than benzylpenicillin." . "Spectinomycin is an aminocyclitol aminoglycoside bacteriostatic antibacterial. It was isolated from Streptomyces spectabilis. Spectinomycin is active against gram-negative bacteria." . "Clavulanic acid is a β-lactamase inhibitor that was isolated from Streptomyces clavuligerusi. It is used in combination with β-lactam antibacterials and does not have inherent antibacterial activity. Clavulanic acid can overcome antibacterial resistance in bacteria that secrete β-lactamase. In the WHO Essential Medicines list as the mixture of amoxicillin + clavulanic acid (co-amoxiclav)." . "SNG001 is a recombinant form of human interferon β, interferon beta-1a, in a formulation that can be administered via a neubliser, directly to the lungs. Synairgen originally developed SNG001 as a therapy for virally-induced exacerbations of COPD, but have rapidly re-deployed it for SARS-CoV-2 infection. The EU Clinical Trials Register entry for Synairgen's study of SNG001 in COVID-19 patients (EudraCT Number: 2020-001023-14) contains the detail that SNG001 is %22Interferon beta-1a%22." . "Atazanavir is a human immunodeficiency virus 1 (HIV-1) protease inhibitor (PI) ." . "Compound 25 is a dual agonist of the ligand-activated transcription factors, farnesoid X receptor (FXR) and peroxisome proliferator-activated receptor (PPAR) δ . It was designed to explore the potential of simultaneous activation of peripheral PPARδ-mediated activity and hepatic FXR mechanisms for the treatment of nonalcoholic steatohepatitis (NASH)." . "Tafasitamab (MOR208, formerly Xmab®5574) is a humanized Fc-engineered monoclonal antibody directed against CD19 that was developed by MorphoSys . XmAb® antibodies are designed with modifications in their Fc domain (S239D/I332E mutations) that increase binding to Fcγ receptors on immune cells. This optimises the antibody's Fc-mediated effector function (i.e. antibody-dependent cell-mediated cytotoxicity, ADCC) . At the beginning ot 2020, MorphoSys and Incyte Corporation entered into a collaboration and license agreement for the global development and commercialization of tafasitamab (MOR208)." . "Otilimab (MOR103, GSK3196165) is a clinical stage fully human IgG1λ antibody that targets the granulocyte-macrophage colony-stimulating factor (GM-CSF; CSF2). It is being investigated as a therapeutic for inflammatory diseases. MOR103 was developed using MorphoSys' HuCAL® technology, and has been fully out-licensed otilimab to GSK. MOR103 is claimed as MOR-04357 in patent WO2006122797A2 (by BLAST peptide sequence matching) ." . "AMG-232 is a clinical stage orally available inhibitor of MDM2 , that was designed for anti-tumour potential. It disrupts the MDM2-p53 interaction." . "Favipiravir (T-705) is an orally delivered, guanine (purine) analogue antiviral drug (cf. which is administered i.v.). It targets viral RNA-dependent RNA polymerase (RdRP) of RNA viruses and since the catalytic domain of RdRP is well conserved across species, has a broad-spectrum of activity; although Furuta et al. (2002) reported that actvity was weak against non-influenza virus RNA viruses . Favipiravir was originally identified through a chemical library screen against influenza virus RdRP . Chemically, it is a prodrug. In human cells it undergoes phosphoribosylation and phosphorylation to its active form, favipiravir-ribofuranosyl-5′-triphosphate (F-RTP). F-RTP is bound by the RdRP, but it blocks enzyme activity and so terminates chain elongation ." . "TTT-3002 is an experimental indolocarbazole kinase inhibitor. It was originally reported as a LRRK2 inhibitor (including activity against the G2019S and R1441C mutations) . Subsequent analysis revealed that TTT-3002 overcomes activating and drug resistance mutations in FLT3 in acute myeloid leukemia cells and is active against FLT3-associated leukemias in vitro and in vivo ." . "Elafibranor (GFT-505) is a PPARα/δ agonist. It was taken into clinical development by Genfit, as a therapuetic for nonalcoholic steatohepatitis (NASH) . Genfit terminated development at Phase 3 in mid-2020 following futility analysis. Dual PPARα/δ agonists are also referred to as 'glitazars'." . "Almonertinib (HS-10296) is an orally bioavailable, third generation inhibitor of the receptor tyrosine kinase epidermal growth factor receptor (EGFR) with activity at the EGFRT790M mutant . In assays using triple-negative breast cancer MDA-MB-231 cells, HS-10296 inhibits signalling via the EGFR/PI3K/AKT pathway which results in reduced proliferation and induction of autophagy and apoptosis. HS-10296 was developed by Hansoh Pharmaceutical, and ex-China rights were licensed to EQRx in mid-2020." . "Seladelpar (MBX-8025) is a clinical stage, selective PPARδ agonist that was initially developed as a therapy for atherogenic dyslipidemia and nonalcoholic steatohepatitis (NASH)." . "LGK974 is a clinical stage porcupine inhibitor . It is being developed as an oncology therapeutic . It is the first porcupine inhibitor to advance to clinical trial." . "Dopamine D2 receptor antagonist with prokinetic and antiemetic effects which can also be used in the treatment of nausea and vomiting, including postoperative nausea and vomiting. The WHO INN record for alizapride provides the CAS registry number 59338-93-1. This CAS number maps to PubChem CID 135413504 (vergentan), which is a tautomer of alizapride." . "Triggers NCR3-dependent natural killer cell activation." . "Triggers NCR3-dependent natural killer cell activation." . "Compound 49 is sphingosine kinase inhibitor . It is equipotent at both isoforms, SPHK1 and SPHK2." . "Compound 55 is sphingosine kinase inhibitor . It is selective for SPHK2." . "Compound 59 is sphingosine kinase inhibitor . It exhibits some selectivity for SPHK2." . "Compound 60 is a sphingosine kinase inhibitor, with selectivity for the SPHK2 isoform ." . "Potent AM2 receptor (Adrenomedullin-2 Receptor) antagonist ." . "Selective, high affinity CB2 receptor partial agonist." . "GSK1795091 is a dendritic glycolipid TLR4 agonist with potential immunoadjuvant activity . Structurally it is a mimetic of bacterial lipid A . TLR4 plays a key role in the activation of the innate immune response. Activating TLR4 stimulates dendritic cells (DCs), monocytes and macrophages to increase production of pro-inflammatory cytokines (IFNγ, TNFα, interleukins (IL), IL-1 beta, -6 and -12). This mechanism produces a Th1 immune response that offers adjuvant potential in combination with tumour antigen vaccines, and a subsequent cytotoxic T-lymphocyte response against the targeted tumour cells. It also enhances the immune response to checkpoint inhibitor cancer therapies." . "GSK2881078 is an orally bioavailable, small molecule, nonsteroidal selective androgen receptor modulator (SARM). It was developed by GSK to treat age-related muscle atrophy (loss of skeletal muscle mass, quality, and strength) ." . "Abacavir is a nucleoside analogue reverse transcriptase inhibitor (NRTI) class antiretroviral drug." . "Imaradenant (AZD4635) is an orally bioavailable adenosine A2A receptor (A2AR) antagonist . It was developed as a potential immuno-oncology (immunotherapy) drug. Imaradenant reduces the immunosuppressive effects of adenosine within the tumour microenvironment, an activity that rescues immune cell function and it enhances the efficacy of checkpoint inhibitors in syngeneic mouse tumour models .
In 2021 AstraZeneca decided to stop a number of their midphase studies of imaradenant in patients with prostate cancer." . "AB928 is an oral dual antagonist of the adenosine 2A and 2B receptor isoforms . It was developed to counteract adenosine-mediated immune suppression in the tumour microenvironment by targeting A2AR-expressing T and NK cells and A2A/2BR-expressing myeloid cells." . "ETC-1922159 (ETC-159) is an orally bioavailable, clinical stage porcupine inhibitor . It is being developed for oncology potential." . "Compound 5 was reported as a low-molecular-weight inhibitor of the Helicobacter pylori protein flavodoxin, with antibacterial activity against this pathogen, in 2013 . A 2020 report by Stecula et al. found that compound 5 inhibits the novel disease target aspartate N-acetyltransferase (ANAT; NAT8L), and that 5 offers a tool compound, with a suitably drug-like scaffold, for studying ANAT inhibition as a therapeutic approach in Canavan disease ." . "Kidney Urea Transporter UT-A1 inhibitor." . "SPTSSB (serine palmitoyltransferase small subunit B) inhibitor ." . "This is a radiolabelled analogue of the B2 receptor antagonist . It can be used for receptor autoradiography and radioligand binding assays." . "Compound 3 is a small molecule B2 receptor antagonist that was a precursor for the design and development of the first-in-class, Phase 1 clinical lead PHA-022121 (Pharvaris) . PHA-022121 is being developed as an oral drug for treatment and prevention of acute hereditary angioedema (HAE) attacks." . "Neurounina-1 increases activity of the NCX1 and NCX2 SLC8 Na+/Ca2+ exchangers . It effectively protects against stroke damage in vivo." . "ORM-10962 is a selective inhibitor of the SCL8 (NCX) Na+/Ca2+ exchangers . It blocks both inward and outward NCX currents. ORM-10962 has been used in vivo to demonstrate that NCX blockade may contribute to the prevention of delayed afterdepolarization-based arrhythmogenesis." . "This compound is an inhibitor of SARS coronavirus main proteases (a.k.a. 3CL protease). It was originally reported to inhibit Mpro from SARS-CoV , and was more recently identified through PostEra's COVID moonshot open science screen for inhibitors of SARS-CoV-2 Mpro." . "WM382 is the drug-like lead for a novel class of antimalarial compounds that are dual inhibitors of P. falciparum plasmepsin IX (PfPMIX) and plasmepsin X (PfPMX). The compound was identified by an optimization study following phenotypic high-throughput screening of an aspartic protease inhibitor library .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "S312 is an inhibitor of dihydroorotate dehydrogenase (DHODH) . It was initially designed and reported for application as an anti-inflammatory agent and was effective in a mouse rheumatoid arthritis model. S312 has most recently been explored for antiviral activity against RNA viruses, including influenza virus strains, Zika and Ebola viruses and SARS-CoV-2, based on the rationale that viruses depend on host pyrimidine synthesis to maintain their replication rate, and that therefore inhibiting a crucial step in this synthetic pathway has potential to limit viral replication. Mechanistically, S312 binds at the putative ubiquinone binding tunnel within the DHODH active site." . "S416 is an inhibitor of dihydroorotate dehydrogenase (DHODH) . It has been explored for antiviral activity against RNA viruses, including SARS-CoV-2, based on the rationale that viruses depend on host pyrimidine synthesis to maintain their replication, and that therefore inhibiting a crucial step in this synthetic pathway should limit viral replication. Mechanistically, S416 binds at the putative ubiquinone binding tunnel within the DHODH active site." . "Crotamiton is a drug, available as a cream or lotion for topical use only, that is used both as a scabicidal (for treating scabies) and as a general antipruritic (anti-itching drug)." . "GNF-6231 is an experimental porcupine inhibitor . It has shown activity in rodent models of skin fibrosis and antitumour efficacy in a mouse MMTV-WNT1 xenograft tumour model." . "Carbetocin is an analogue. Like oxytocin it acts as an oxytocic, antihemorrhagic and uterotonic drug. Activating this pathway has already been shown to reduce food intake and body weight in both animal models and human clinical studies, and as a result oxytocin (plus analogues and non-peptide mimetics) is being evaluated for anti-obesity potential ." . "Risdiplam is a first-in-class, orally bioavailable splicing modifier . Like , it is intended to improve the efficiency of SMN2 (HGNC ID 11118; Uniprot Q16637) gene transcription in patients with spinal muscular atrophy (SMA) ." . "Bedaquiline is a quinoline-based antimycobacterial drug that is used in the treatment of tuberculosis . Functionally, it inhibits mycobacterial ATP synthase and enhances the antibacterial activity of second-line drug combinations." . "Pretomanid is a nitroimidazole-based antibacterial used for the treatment of multi-drug-resistant pulmonary tuberculosis . It is active against replicating and non-replicating Mycobacterium tuberculosis . Pretomanid was developed by the non-profit organisation TB Alliance (www.tballiance.org.za)." . "DAV-CRI-14a23e73-1 was identified as an inhibitor of SARS-CoV-2 main protease (Mpro) through PostEra's COVID moonshot open science screen." . "TG-0205221 is an inhibitor of coronavirus main proteases, having originally been identified as a SARS-CoV Mpro inhibitor . TG-0205221 has been crystallised in complex with SARS-CoV and SARS-CoV-2 Mpro (RCSB Protein Data Bank accession 7C8T)." . "LW-213 is a derivative of the plant flavinoid wogonin , and like its parent it has anticancer activity . Studies in human cutaneous T-cell lymphomas (CTCL) indicate that LW-213-induced apoptosis is mediated via activation of the PERK-eIF2α-ATF4-CHOP axis, and involves enhanced reactive oxygen species production and calcium-dependent endoplasmic reticulum stress. The primary molecular target of LW-213 has not been defined." . "BIIB068 was designed as a novel, oral Bruton's tyrosine kinase (BTK) inhibitor and is intended for the treatment of autoimmune diseases . Pharmacokinetics of BIIB068 in humans have been determined in a Phase 1 study following a single, ascending oral dose." . "IcatCXPZ-01 is a cathepsin C inhibitor ." . "Apitegromab (SRK-015) is an anti-myoststin (GDF8) monoclonal antibody that is being developed by Scholar Rock . Antagonism of myostatin's inhibitory effect on skeletal muscle mass is being predicted to combat muscle atrophy that is observed in patients with the neuromuscular degenerative disease spinal muscular atrophy (SMA). SRK-015 binds to promyostatin and latent myostatin in both serum and muscle . In a mouse SMA model, a precursor of SRK-015 (muSRK-015P) increased muscle mass and function, which is indicative of therapeutic potential.

The primary defect in SMA occurs in defective production of survival motor neuron (SMN) protein and there are already approved drugs that are designed to promote production of functional SMN. Each drug uses a different mechanism to achieve this effect: Roche's Evrysdi® (risdiplam) is a SNM-2 splicing modifier, Biogen's Spinraza® () is an antisense oligonucleotide and Novartis have their gene therapy Zolgensma® (onasemnogene abeparvovec). Myostatin inhibition is likely to be considered as an adjunct to these existing therapies.

Peptide sequences submitted for the INN match patened sequences that are claimed in Scholar Rock's patent WO2017120523A4, and refer to a humanized IgG4 monoclonal referred to as Ab2 in the patent ." . "TFPI is a serine protease inhibitor that regulates the tissue factor (TF)-dependent blood coagulation pathway (extrinsic pathway). It inhibits activated factor X (Xa) and VIIa-TF proteases in an autoregulatory loop. Some isoforms are tethered to the cell membrane by expression of a glycosylphosphatidylinositol (GPI) anchor, others isoforms are secreted . Inhibition of the TFPI restores hemostasis, which is a mechanism being exploited for therapeutic benefit in inherited bleeding disorders." . "Concizumab is a clinical stage anti-tissue factor pathway inhibitor (TFPI) monoclonal antibody. It is a humanised IgG4 construct that was developed by Novo Nordisk as a novel therapeutic for genetic bleeding disorders . Concizumab binds to the Kunitz-type protease inhibitor (KPI) 2 domain of TFPI and blocks its interaction with the active site of FXa . TFPI is an endogenous anticoagulant protein whose pharmacological inhibition restores hemostasis ." . "Vamifeport (VIT-2763) is a first in-class, orally administered small molecule inhibitor of ferroportin (SLC40A1) . It was developed by Vifor Pharma for the prevention of iron overload and to treat β-thalassaemia." . "This compound is one of the phthalazinone derivatives claimed as poly(ADP-ribose) polymerase (PARP) inhibitors in Ildong Pharmaceutical's patent WO2015037939A1, that were designed for antineoplastic potential . The chemical structure matches that submitted to the WHO for the INN venadaparib. We have added its interaction data to PARP1. A potential Ildong internal code is IDX-1197, which is described by the NCI Drug Dictionary as an orally administered, PARP1/2 selective inhibitor, and this entry associates IDX-1197 with an earlier synonym, NOV140101. As of August 2020, there is nothing in the published literature to confirm these structure>code associations.
Pharmacological and biological activity of IDX-1197 is outlined in Abstract A106; AACR-NCI-EORTC International Conference (Oct 2017). IDX-1197 is in Phase 1/2 clinical trial in solid tumours with confirmed mutations in homologous recombination repair genes (NCT04174716)." . "Ilacirnon (CCX140B) is a clinical stage, orally administered antagonist of the chemokine receptor CCR2 . It was developed by Chemocentryx. The chemical structure of CCX140B matches that submitted to the WHO for the INN ilacirnon, and is one of those claimed in Chemocentryx's patent WO2009009740A1 " . "NF279 is a suramin analogue antagonist of human P2X1 and P2X7 receptors, with some selectivity for P2X1 . It may be used experimentally as the hexasodium salt." . "MRS2159 is a P2X1 receptor antagonist ." . "Darovasertib (LXS196) is an oral protein kinase C (PKC) inhibitor that was developed by Novartis for antineoplastic potential. It is one of the chemical structures claimed in Novartis' patent WO2016020864A1 . Darovasertib is a potential first-in-class protein kinase C (PKC) inhibitor." . "The chemical structure that was submitted to the WHO for the INN ipivivint leads to Samumed's patent WO2013166396A2 , as compound 18 therein . Ipivivint is defined as a Wnt pathway inhibitor. Samumed have a lead candidate called SM08502 in their pipeline. SM08502 is reported to decrease Wnt signalling in tumour cells via inhibition of CDC-like kinase (CLK) activity in an article from Samumed scientists . We speculate that ipivivint might be SM08502, but as of August 2020 there is no formal disclosure of SM08502's chemical structure. SM08502 is being investigated in a Phase 1 clinical trial in patients with advanced solid tumours (NCT03355066)." . "The chemical structure that was submitted to the WHO for the INN dalosirvat (in which it is defined as a 'sirtuin activator'), is a match with compound 1 as claimed in Wintherix's patent as a Wnt pathway activator . Speculatively dalosirvat may be Samumed's SM04554, which is a clinical lead being investigated as a topical therapy to promote hair follicle development and hair regrowth in individuals suffering from androgenetic alopecia (Phase 2/3 NCT03742518). As of August 2020, there has been no formal name>structure disclosure for SM04554." . "The chemical structure submitted to the WHO for the INN dalpiciclib is identical to that of the orally administered CDK4/6 inhibitor SHR6390, via a PubChem structure match. Pharmacological and preclinical anti-tumour data for SHR6390 have been published , albeit without name>structure disclosure. SHR6390 was designed by Jiangsu Hengrui Medicine Company." . "The chemical structure submitted to the WHO for the INN vimseltinib is identical to that of the investigational, oral CSF1R inhibitor DCC-3014, via a PubChem structure match. The compound is claimed as example 10 in Deciphera Pharmaceuticals' patent WO2014145025A2, in which KIT proto-oncogene inhibitory activity is also noted . Name to structure was formally disclosed in Caldwell et al. (2022) . Vimseltinib's selectivity is determined by its interactions within the switch control region of the CSF1R that regulates kinase conformational activation." . "The chemical structure submitted to the WHO for the INN vodobatinib is identical to that of Sun Pharma's Bcr-Abl1 inhibitor SCO-088 (SUN-K706, or simply K0706), via a PubChem structure match. SCO-088 is a third generation Bcr-Abl1 tyrosine kinase inhibitor that was developed to combat treatment resistant chronic myeloid leukemia (CML) ." . "IACS-9439 is a potent, highly selective, and orally bioavailable CSF1R inhibitor . It was developed to reduce the number of immune-suppressive tumour-associated macrophages in the tumour microenvironment, as an approach to promote tumour growth inhibition." . "ZYBT1 is reported as a potent and irreversible Bruton's tyrosine kinase (BTK) inhibitor . It is able to inhibit the -resistant BTKC481S mutant. ZYBT1 mediates anti-inflammatory activity in models of rheumatoid arthritis and has antiproliferative action against B-cell lymphoma xenograft tumours ." . "Odevixibat is an inhibitor of ileal bile acid transporter (IBAT, or apical sodium-dependent bile acid transporter ASBT; SLC10A2). It was developed by Albireo for potential to treat rare pediatric cholestatic liver diseases, including progressive familial intrahepatic cholestasis (PFIC) and biliary atresia. In July 2021 it became the first drug to be approved as a treament for PFIC-associated pruritus." . "TUG-1197 is a selective agonist of free fatty acid receptor 4 (FFAR4) ." . "ICOA-13 is a fluorescent Cy3 labeled non-selective melatonin receptor ligand . It is the first cell-impermeant melatonin receptor ligand." . "Taletrectinib (DS-6051b) is a next-generation selective ROS1/NTRK inhibitor . It was designed to treat ROS1- or NTRK-rearranged cancers. DS-6051b is able to inhibit the ROS1G2032R mutation that confers resistance to , and . The compound originates from Daiichi Sankyo and has been licensed to AnHeart." . "Senaparib (IMP4297) is an oral PARP1 inhibitor that is being developed in a joint venture between IMPACT Therapeutics and Junshi Biosciences, for the treatment of BRCA-mutated solid tumours. It is one of the chemical structures claimed in patent WO2012130166A1 ." . "The chemical structure that was submitted to the WHO for INN rineterkib (LTT462), is claimed as example 184 in Novartis' kinase inhibitor patent WO2015066188A1 . This structure maps to PubChem CID: 118045847 which provides an indication that it is an ERK inhibitor." . "MMV030084 is a trisubstituted imidazole, with potent antimalarial activity against multiple stages of the Plasmodium lifecycle .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "GB1211 is an orally active small molecule inhibitor . It was developed by Galecto Biotech for the treatment of fibrotic disease and cancer. In the fibrotic setting, blocking galectin-3's biological function is predicted to combat the enhanced TGF-β receptor-mediated macrophage differentiation and myofibroblast activation that drives pathological fibrotic changes ." . "Compound 71 is claimed in a Biogen patent as a Bruton's tyrosine kinase (BTK) inhibitor . This chemical structure, but with one specified stereo bond was disclosed as Biogen's clinical lead in 2021 ." . "AZD8154 is one of the chemical structures in a patent from AstraZeneca that claims dual phosphatidylinositol 3-kinase (PI3K) δ/γ inhibitors . Its discovery was formally disclosed by Perry et al., in June 2021 ." . "LYS006 is one of the chemical structures claimed in a Novartis patent as inhibitors of leukotriene A4 hydrolase (LTA4H) . Both the (R) and (S) stereoisomers are claimed (examples 3 and 29 respectively). Both isomers have similar inhibitory potency in vitro. The (3S)-enantiomer was disclosed as LYS006 in 2021 , and at that point we modified our record to reflect this updated information. LYS006 is being developed for immunomodulatory action that can be applied to acute and chronic inflammation and autoinflammatory disorders." . "AVE1231 is a K2P3.1 (TASK-1) channel blocker . It was originally reported as a inhibitor of hKv1.5 currents , and was being developed as an atrial-selective drug therapy by Sanofi-Aventis for the treatment of atrial fibrillation, but the programme was terminated at Phase 1." . "DPO-1 is a Kv1.5 channel blocker ." . "Positive allosteric modulator of GPR84." . "Orthosteric agonist of GPR84." . "Orthosteric agonist of GPR84." . "Orthosteric agonist of GPR84." . "Orthosteric agonist of GPR84." . "Compound 3 is the lead for a novel series of antimalarial compounds based on a benzimidazole core .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Clascoterone is a steroidal androgen receptor antagonist (antiandrogen) . It was developed to address the hormonal pathogenesis of acne . It has been shown to inhibit production of lipids and inflammatory cytokines from sebocytes ." . "Compound 6e is reported as an inhibitor of the 3CL proteinases (3CLpro) from MERS, SARS-CoV and SARS-CoV-2 coronaviruses ." . "Compound 6j is reported as an inhibitor of the 3CL proteinases (3CLpro) from MERS, SARS-CoV and SARS-CoV-2 coronaviruses ." . "Bromhexine is a widely used mucolytic (expectorant) drug. In response to the SARS-CoV-2 pandemic of 2019/20 it was investigated as an add-on treatment for patients with COVID-19 . In addition to its mucolytic activity, bromhexine may also inhibit the human protease TMPRSS2 that is exploited by certain coronaviruses for spike (S) protein priming, thus reducing the viruses' infection mechanism ." . "BLU-5937 is a clinical stage selective P2X3 antagonist . It is being developed by Bellus, as a competitor to Merck's P2X3 inhibitor ." . "DSM502 is the optimized lead from a pyrrole-based series of antimalarial compounds that inhibit P. falciparum dihydroorotate dehydrogenase (PfDHODH) . This series of PfDHODH inhibitors could provide a potential backup candidate, with an alternative scaffold, to the clinical lead .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Suprastat is a selective histone deacetylase (HDAC) 6 inhibitor . It is reported to potentiate anti-PD1 immunotherapy in an in vivo melanoma model." . "Capadenoson is an investigational, selective partial agonist of adenosine A1 receptor . Its pharmacokinetics support oral once daily administration." . "Neladenoson is a partial adenosine A1 receptor agonist . It is administered as a dipeptide ester to improve solubility and exposure after oral administration and the INN refers to the prodrug structure, neladenoson bialanate. We show the parent molecule in this entry. Neladenoson was the first-in-class adenosine A1 receptor partial agonist to enter clinical evaluation for the treatment of heart failure ." . "ISAM-140 is an adenosine 2B receptor antagonist ." . "BAY-545 is an A2B receptor antagonist that is suitable for use in vivo ." . "Compound 4 is a small molecule GnRH receptor antagonist . It was designed to be labelled with fluorine-18 and used as a PET tracer for brain imaging in animal experiments. This antagonist is brain-penetrating and accumulates at GnRH receptor specific sites in the brain." . "NP-1815-PX is a P2X4 antagonist ." . "A synthetic peptide that binds potently to the ACE2 binding domain of the SARS-CoV-2 spike protein, and blocks entry of SARS-CoV-2 in vitro. The peptide sequence was obtained from supplementary table S2 in the original article . The chemical SMILES was generated using the HELM editor. Note that the peptide in the PDB crystal complex with SARS-CoV-2 spike is shorter by one amino acid (missing the Arg at the COOH terminal) than the sequence we show here - see 7JZL ." . "A synthetic peptide that binds potently to the ACE2 binding domain of the SARS-CoV-2 spike protein, and blocks entry of SARS-CoV-2 in vitro . The chemical SMILES was generated using the HELM editor. The crystal structure of LCB3 in complex with SARS-CoV-2 spike protein has been deposited with the PDB, ID 7JZN" . "NSC151066 is a TRPV4 antagonist. We show the structure for the parent molecule, but it is used experimentally in its hydrochloride salt form (PubChem CID: 4193327)." . "NSC212069 is a TRPV4 antagonist. We show the structure for the parent molecule, but it is used experimentally in its hydrochloride salt form (PubChem CID: 24196249)." . "NSC600684 is a TRPV4 antagonist. We show the structure for the parent molecule, but it is used experimentally in its hydrochloride salt form (PubChem CID: 45260031)." . "Terlipressin is a clinically used vasopressin analogue. Terlipressin is biotransformed to its active moiety, lysine vasopressin (LVP). It has vasoconstrictive, antihemorrhagic, and antidiuretic properties." . "RCI-0879 is a non-peptide small molecule antagonist of the urotensin-II receptor . It is active in vitro and in vivo." . "BI01383298 is a highly potent and selective human sodium-coupled citrate transporter SLC13A5 inhibitor that was developed by Boehringer Ingelheim . It is structurally distinct from SLC13A5's substrate, citrate. BI01383298 is available free-of-charge through Boehringer's opnMe programme or from the Structural Genomics Consortium. This inhibitor is suitable for in vitro experiments." . "Darunavir is a second-generation human immunodeficiency virus 1 (HIV-1) protease inhibitor (PI) ." . "Emtricitabine is a nucleoside reverse transcriptase inhibitor (NRTI) antiretroviral compound." . "Nomegestrol (as the acetate) is a progestin that is used in hormonal medications and oral contraceptives." . "Walrycin B is an antibacterial that has activity against Gram-positive bacteria (including Bacillus subtilis and Staphylococcus aureus), by inhibiting WalR, a response regulator that is essential for bacterial viability .

SARS-CoV-2: In an HTS screening programme walrycin B was found to inhibit the 3CL protease (Mpro) of SARS-CoV-2 . This inhibition translated to an antiviral effect with an EC50 of 3.6 μM." . "Gestodene is a progestin that is present in combined oral contraceptives and hormone replacement therapies used to manage menopausal symptoms." . "Opipramol is an atypical tricyclic antidepressant (TCA) . It acts primarily as a sigma (σ) receptor agonist. Weak antiviral activity of opipramol dihydrochloride against SARS-CoV-2 (in Vero E6 cells; EC50 5 μM) was reported by Touret et al. ." . "Hypericin is one of the active ingredients of St John's wort. It's pharmacological activity is complex and not fully resolved." . "PF-07304814 is a SARS-CoV-2 3CL protease (Mpro) inhibitor from Pfizer. The structure of PF-07304814 is identical to that of the INN lufotrelvir (from proposed list 125, July 2021). PF-07304814's phosphate group (which improves solubility) is cleaved in vitro to release the active antiviral PF-00835231 . PF-00835231 was originally developed as a SARS-CoV Mpro inhibitor in response to the 2002-2003 outbreak . Like , PF-07304814 is administered by intravenous infusion." . "PF-00835231 was designed to inhibit the 3CL protease (Mpro) of SARS-CoV-1, and has efficacy against a range of 3CLpro from α-, β-, and γ-coronaviruses . It is the active metabolite of the more soluble phosphate analogue (PF-07304814). The pharmaceutical properties make both compounds suitable for intravenous infusion." . "Belzutifan (previously PT2977 and MK-6482) binds to and inhibits HIF-2α function, and has been developed as a novel cancer therapeutic . HIF-2α is a transcription factor component that is established as an oncogneic driver of ccRCC, via loss of its interaction with the tumour suppressor von Hippel-Lindau (VHL), which results in disrupted proteasomal degradation and thereby accumulation of HIF-2α. Elevated HIF-2α promotes increased expression of hypoxia-responsive genes which regulate processes including angiogenesis, proliferation, migration, and immune evasion." . "This compound is a non-arginine C3aR agonist ." . "AX-024 is a novel T cell modulator, that acts by disrupting the protein-protein interaction between CD3ε (a subunit in the T-cell receptor, TCR) and Nck, which causes a conformational change that prevents TCR activation . It was developed by Artax Biopharma and seems to be a predecessor of their autoimmune clinical lead AX-158 (structure not disclosed)." . "CIS43 is a human monoclonal antibody directed against the P. falciparum circumsporozoite protein (PfCSP) . The structure has not been formally disclosed and has not been curated by IMGT.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "HTI-1 is a derivative of the glucose analogue C3361, with improved inhibition of the Plasmodium hexose transporter (PfHT1) .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "MI-09 is a SARS-CoV-2 Mpro (3CL-pro) inhibitor that was reported in the same study as . MI-09 exhibited in vivo antiviral activity, and reduced both lung viral loads and lung lesions in infected mice." . "Z-FA-FMK is a modified di-peptide. It has been reported as a cathepsin B inhibtor , and antiviral activity against a variety of viruses has been reported .

SARS-CoV-2: In an HTS screening programme Z-FA-FMK was found to inhibit the 3CL protease (Mpro) of SARS-CoV-2 . This inhibition translated to an antiviral effect with an EC50 of 130 nM." . "Decanoyl-RVKR-CMK is a cell‐permeable and irreversible inhibitor of proprotein convertase (PC) enzymes . The PC family of serine proteases includes furin. Furin-mediated cleavage of HIV-1 envelope glycoprotein 160 (gp160) is essential for fusion of the viral envelope with the host cell membrane .

SARS-CoV-2: Decanoyl-RVKR-CMK inhibits cleavage of SARS-CoV-2 spike protein by furin, at the furin cleavage site, and this translates to an antiviral effect in vitro ." . "This is a modified version of endogenous bombesin ." . "This is a modified analogue of bombesin[6-14] that acts as a BB2 receptor antagonist . It contains the DOTA (tetraxetan) chelator to facilitate addition of a radiolabel to generate a PET/CT imaging tool." . "Compound A is a small molecule agonist of BB3 receptor . It was found to promote weight loss in a rat model of diet-induced obesity." . "AM-37 and its S-enantiomer, ST-36 (PubChem CID 122181320), are non-peptide BB3 receptor antagonists ." . "Compound 11c has been identified as a representative analogue for the 2-pyrazolyl quinolone series of antimalarial compounds .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "This peptide is a RXFP3/RXFP4 antagonist . It behaves as a RXFP4 partial agonist (of cAMP activation) in CHO cells expressing human RXFP4. Structurally it is a chimeric peptide made of the A-chain of INSL5 and a C-terminally truncated B-chain of H3 relaxin ." . "Enoxolone is a bioactive metabolite of glycyrrhizin, which is a compound found in the liquorice plant Glycyrrhiza glabra. It has been found to inhibit enzymes that metabolise the prostaglandins PGE2 and PGF2α to their inactive metabolites, and 11β-hydroxysteroid dehydrogenases (HSD11B1, HSD11B2) which convert active cortisol to inactive cortisone. Enoxolone has proposed anti-inflammatory and antitussive effects as well as action against pathogens (viruses, fungal infections, bacterial infections) , and beneficial actions for the treatmant of gastric ulcers." . "Mavacamten (MYK-461) is an orally active myosin allosteric modulator that was developed by MyoKardia as a novel treatment for obstructive hypertrophic cardiomyopathy (HCM). In 2020 MyoKardia was bought by Bristol Myers Squibb. The compound interacts with both α and β cardiac myosins in vitro. Preclinical pharmacokinetics are reported in . Mavacamten attenuates hypertrophic and profibrotic gene expression in rodent models of HCM ." . "Daclatasvir is an orally available anti-hepatitis C virus (HCV) drug, It is a direct-acting inhibitor of the non-structural protein 5A (NS5A) replication complex of HCV . Blocking NS5A function inhibits viral RNA replication and virion assembly." . "Glecaprevir is an orally available anti-hepatitis C virus (HCV) drug. It is a direct-acting inhibitor of the HCV NS3/4A protease, and thereby targets viral RNA replication." . "Pibrentasvir is an oral, direct-acting inhibitor of hepatitis C virus (HCV) non-structural protein 5A (NS5A) replication complex. It targets viral RNA replication and viron assembly." . "This is a small molecule RXFP4 agonist ." . "This an analogue of human insulin-like peptide 5 (INSL5) that has a minimized B-chain peptide ." . "Dasabuvir is a non-nucleoside inhibitor of the hepatitis C virus (HCV) RNA-dependent RNA polymerase NS5B . It blocks viral RNA replication." . "Ledipasvir is an orally available, direct-acting inhibitor of the hepatitis C virus (HCV) non-structural protein 5A (NS5A) replication complex ." . "Ombitasvir is an orally available, direct-acting inhibitor of the hepatitis C virus (HCV) non-structural protein 5A (NS5A) replication complex . In common with many other NS5A inhibitors it is a dinucleotide derivative." . "Paritaprevir is an orally bioavailable, direct-acting inhibitor of the hepatitis C virus (HCV) non-structural protein 3 and 4A (NS3/NS4A) protease complex . It blocks NS3/NS4A protease-mediated polyprotein maturation, thus disrupting viral replication." . "GSK'547 is a RIP kinase 1 (RIPK1) inhibitor . It was investigated for anti-cancer potential, but the development program was terminated." . "Lonodelestat is a modified cyclic peptide (macrolide) that acts as a selective inhibitor of human neutrophil elastase (hNE). It is being developed by Santhera Pharmaceuticals, under license from its originator Polyphor. In April 2020 Santhera announced a COVID-19 collaboration, in which non-clinical research will be conducted by Cold Spring Harbor Laboratory (CSHL) to further validate hNE as a target and assess lonodelestat as a potential agent for treating COVID-19-related acute respiratory distress syndrome (ARDS)." . "Ani9 acts as an inhibitor of the calcium activated chloride channel CaCC (TMEM16A, ANO1) ." . "AZD1390 is an oral, brain-penetrant ATM kinase inhibitor . Structurally, AZD1390 is from the same chemical series as , but is optimised to cross the blood-brain barrier . Mechanistically, blocking ATM disrupts DNA damage repair and sensitises cancer cells to radiotherapy. This induces G2 cell cycle arrest and the development of micronuclei, and ultimately leads to apoptosis. Experimental evidence suggests that AZD1390 is able to promote neurite outgrowth in vitro, and axon regeneration and functional recovery in in vivo models of spinal cord injury ." . "Bemarituzumab (FPA144) is first-in-class anti-fibroblast growth factor receptor 2b (FGFR2b) chemotherapy antibody from Five Prime Therapeutics . Amgen acquired Five Prime in 2021. Bemarituzumab is a humanized immunoglobulin G1 (IgG1) isotype antibody. It binds to FGFR2b and promotes ADCC via enhanced binding to FcγRIIIa. Around 30% of HER2-negative gastric cancers are FGFR2b positive and bemarituzumab is designed to target this cancer subtype that uses the FGF/FGFR pathway to promote transformation, proliferation and angiogenesis.
Annotated peptide sequences for this antibody are available from its IMGT/mAb-DB record." . "AR234958 is a small molecule AT2R agonist . AR234960 (EC50 239 nM) is another selective agonist from this report." . "AR291903 is an inverse agonist of the MAS1 receptor . Two additional inverse agonists are described in this report: AR244555 (EC50 201 nM) and AR305352 (EC50 135 nM)." . "Compound 2 is a small molecule complement factor D inhibitor that has been developed by Novartis . The compound is orally bioavailable, and blocks activation of the complement alternative pathway in vitro and in vivo. Factor D inhibitors act upstream of the factor C5-targeting drugs such as and , and small molecules are intended to offer more flexible therapeutic options than the existing monoclonal antibodies." . "BAY-6672 is a potent, selective and orally bioavailable prostanoid FP receptor antagonist . It was developed to examine the potential of FP antagonism as an antifibrotic modality, particularly for the treatment of idiopathic pulmonary fibrosis (IPF). BAY-6672 has demonstrated efficacy in a preclinical animal model of lung fibrosis." . "CC-90011 is a clinical stage, selective lysine specific demethylase 1 (LSD1) inhibitor . It is a reversible inhibitor. LSD1 inhibitors have potential to treat certain cancers ." . "CHMFL-PI4K-127 is an inhibitor of P. falciparum phosphatidylinositol 4-kinase (PfP14K) with a novel bipyridine-sulfonamide chemotype.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Eu-DTPA-hC3a is a fluorescently labelled derivative of human C3a protein . It exhibits full agonist activity at the C3aR and its potency and selectivity are comparable to native C3a." . "Mitoglitazone is a thiazolidinedione class compound. that was developed for the treatment of non-insulin-dependent diabetes mellitus . It acts as an insulin sensitizer and modulates mitochondrial pyruvate transport by the mitochondrial pyruvate carrier . Structurally it is an analogue of the approved antidiabetes drug ." . "Efavirenz is an antiviral drug that is used in the treatment of HIV. It is a synthetic non-nucleoside inhibitor (NNRTI) that binds to the HIV RNA-dependent DNA polymerase and thereby blocks viral DNA replication ." . "R-VK4-40 is a selective dopamine D3 receptor antagonist . It has been examined in animal models for potential to combat opioid abuse and addiction." . "NYX-2925 is a oral, brain-penetrating, NMDA receptor modulator that was developed by Aptinyx . It acts as a co-agonist to glutamate and partially activates NMDARs. NYX-2925 is being investigated for potential to modulate neural pathways relevant for chronic pain." . "This peptide corresponds to the exon 7-encoded neuropilin-1-binding site of VEGF165 . It induces tumour cell and endothelial cell apoptosis via binding to neuropilin 1.
The peptide sequence was claimed in Ark Therapeutics' patent WO2003082918A1 that was granted in 2003 , in which EG3287 is noted as being a bicyclic form of Ac-SCKNTDSRCKARQLELNERTCRCDKPRR." . "Psilocin is the active metabolite of the naturally occurring tryptamine alkaloid psilocybine, a hallucinogenic alkaloid that can be isolated from Psilocybe mushrooms. It is an agonist of 5-HT2 receptors." . "AP1189 is a biased agonist of melanocortin (MC) receptors. It was designed to elicit the proresolving properties of the MC1 and MC3 receptors in inflammation, whilst sparing their melanogenic effects . This is achieved by bias towards ERK1/2 phosphorylation and and Ca2+ mobilisation rather than inducing canonical cAMP production. The chemical structure is claimed in Action Pharma's patent WO2007141343A1 (compound 2/example 19) .

SARS-CoV-2 and COVID-19: The proresolving activity of AP1189 is being investigated as a mechanism to combat the dysfunctional immune response in COVID-19 patients." . "Compound 27 is the most potent hit from a series of pyrazolo[3,4-b]pyridines compounds with dual-stage antimalarial activity .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "AT-527 is the orally bioavailable hemi-sulfate salt of AT-511, which is a direct-acting antiviral compound that disrupts activity of the viral RNA polymerase . It was originally developed to combat hepatitis C (HCV) infection, but has been redeployed for SARS-CoV-2. Chemically AT-527 is a phosphoramidate purine nucleotide and it is metabolised to a biologically active guanosine triphosphate analogue in vivo. Preclinical results showing pan-genotype activity against HCV were published in early 2020 . In October 2020 anti-SARS-CoV-2 activity was reported in preprint format , which converted to full peer reviewed publication in March 2021 .

AT-527 was developed by Atea Pharmaceuticals . In October 2020 it was announced that Roche were purchasing the rights to AT-527 (and gave it the research code RO7496998) outside of the US. In the same press release, it was revealed that AT-527 would be evaluated in Phase 3 trial in early 2021 to determine its efficacy as an early treatment for COVID-19 in non-hospitalised patients.

This is a complex molecule with 5 stereo-centres, so there are several CIDs with the same connectivity in PubChem. We chose to represent the molecule from CID 122527275 as it is linked to a FDA UNique Ingredient Identifier (UNII) code. This CID represents the parent molecule. For the hemi-sulfate salt structure see PubChem CID 155926085." . "ASP2535 is a glycine transporter-1 (GlyT1) inhibitor . It exhibits 50-fold selectivity for rat GlyT1 over rat GlyT2, and is orally bioavailable." . "GT-0198 is a glycine transporter 2 (GlyT2) inhibitor . It is active in vivo, producing an analgesic effect in a mouse model of neuropathic pain." . "Opiranserin (VVZ-149) is a dual glycine transporter 2 (GlyT2) inhibitor and serotonin 5-HT2A receptor antagonist . It was developed as a novel non-opioid analgesic." . "α-cyanocinnamate acts as an antagonist of the mitochondrial pyruvate carrier ." . "α-cyano-4-hydroxycinnamate acts as an antagonist of the mitochondrial pyruvate carrier ." . "α-Cyano-5-phenyl-2,4-pentadienic acid acts as an antagonist of the mitochondrial pyruvate carrier ." . "UK-5099 acts as an antagonist of the mitochondrial pyruvate carrier ." . "The chemical structure for this Janus kinase inhibitor was obtained from the WHO's special release of proposed INNs for COVID-related therapeutics that was published in October 2020, with the proposed INN being nezulcitinib. The structure is a match to example 1 as claimed in Theravance's 2020 patent WO2020051105A1. Analysis of Theravance's pipeline webpage and ClinicalTrials.gov suggests that this is likely to be their clinical lead TD-0903, which they identify as a lung-selective JAK inhibitor, since TD-0903 had begun evaluation in COVID-19 patients. At the point of creating this entry (Nov 2020) there had been no formal name>structure disclosure. We will update this as further details become available.
In June 2021, Theravance announced that top-line results from patients with confirmed COVID-19 associated acute lung injury and impaired oxygenation, showed no statistically significant difference between nezulcitinib and placebo groups in terms of primary or secondary outcomes." . "TAK-981 is an inhibitor of the protein post-translational modification, SUMOylation. SUMO is a small ubiquitin-like modifier that is attached to proteins by enzymes of the SUMOylation complex (sumo activating enzyme, SAE) , and its attachment regulates protein function. SUMOylation has emerged as an important pathway in oncogenic processes, making SAE an oncology drug target. TAK-981 inhibits SUMOylation and has been shown to induce anti-tumour immunity in preclinical models. The precise molecular target for TAK-981 has not been disclosed.
The chemical structure that was submitted to the WHO for the INN subasumstat is identical to the chemical structure of TAK-981 that is held by PubChem, and is claimed in patent WO2016004136A1 by a team from Millennium Pharmaceuticals." . "Borrelidin is a macrolide antibacterial originally isolated from Streptomyces. It is a noncompetitive inhibitor of both bacterial and eukaryotic threonyl-tRNA synthetases (also known as threonine--tRNA ligase), exhibiting antibacterial, antimalarial and antiangiogenic activities.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY" . "This chemical structure (as the IUPAC name) was obtained from the special release of proposed INNs for COVID-related therapeutics that was published by the WHO in October 2020. The INN structure was identified as being identical to compound 73 from Merck's patent WO2017106607A1 (2017) in which it is claimed as a Toll-like receptor (TLR)7 and TLR8 antagonist for the treatment of immune disorders . We speculate that this is Merck's clinical lead M5049, which is expected to prevent activation of TLR7/8 which detect single-stranded RNA from viruses including SARS-CoV-2 . M5049 is administered orally. At the time of generating this entry (Nov 2020) there had been no formal name>structure disclosure of M5049. We will update this record when new details are published." . "This chemical structure for eclitasertib (as the IUPAC name) was obtained from the special release of proposed INNs for COVID-related therapeutics that was published by the WHO in October 2020. The INN structure was identified as being identical to example 42 from Denali Therapeutics' patent WO2017136727A2. Denali claim this compound as a kinase inhibitor, the INN application refers to it as a RIP kinase inhibitor. Based on Denali's initiation of their RIPK1 inhibitor DNL758 (a.k.a. SAR443122) in clinical trial in COVID-19 patients, we speculate that example 42, DNL758/SAR443122 and eclitasertib are one and the same. We will update this record when name>structure is formally disclosed." . "X-ray crystallography shows that 4‐BCCA inhibits AMPA receptor activity by binding (with low‐affinity) to a region in the receptor's transmembrane domain (PDB ID 6XSR) . The interaction was confirmed by mutagenesis of the amino acids predicted to be involved in the ligand-receptor interaction by the X-ray structure and electropysiological measurements in vitro. This discovery helps to explain the molecular mechanism underlying 4‐BCCA's anti-epileptic activity." . "ORG 214007-0 is a non-steroidal, selective glucocorticoid receptor (GR) modulator . It retains full anti-inflammatory activity compared to traditional steroidal GR modulators." . "GSK2018682 is a S1P1/5 receptor modulator ." . "CYM5520 is a S1P2 receptor selective allosteric agonist ." . "CpX is a benzofuran ethanolamine derivative that behaves as a LPA1-3 receptor agonist ." . "CpY is a benzofuran ethanolamine derivative that behaves as a LPA1-3 receptor agonist ." . "SAR100842 is an orally active selective LPA1 receptor antagonist ." . "Radioprotectin-1 is a LPA2 receptor agonist ." . "Etesevimab (LY3832479) is a monoclonal antibody against the surface spike protein of SARS-CoV-2. It was developed by Eli Lilly, but such is the speed of COVID-19 therapeutic development, there are no peer-reviewed articles that report its design, preclinical or early clinical data." . "The chloride salt of CpdA has been described as a dissociating glucocorticoid receptor (GR) ligand . CpdA is a synthetic version of a plant-derived substance." . "Methnaridine is a novel benzonaphthyridine antimalarial compound, identified from a structural optimization study of .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Compound 24 is the lead identified in a medicinal chemistry study of the 6-Chloro-2-arylvinylquinolines, a noval class of small molecules with promising antimalarial activity .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Alunacedase alfa (APN01; Aperion Biologics) is a recombinant version of human ACE2 that is intended to act as a decoy (soluble trap) for the SARS-CoV-2 spike protein , than can neutralise the virus . Recombinant ACE2 was originally proposed as a mechanism to combat acute respiratory distress syndrome (ARDS) caused by the SARS-CoV virus , which like SARS-CoV-2 uses ACE2 to infect host cells. Structurally APN01 is a glycosylated dimer of peptide chains that form the extracellular domain of the enzyme. It is produced in Chinese hamster ovary (CHO) cells, and it contains several intra-subunit disulphide bridges." . "PJ34 is a poly(ADP-ribose) polymerase-1 (PARP-1) inhibitor . It is a tool compound that is active in vitro and in vivo. PARP-1 inhibitors downregulate multiple pathways of inflammation and tissue injury, and a number of potent inhibitors have been developed for anti-cancer potential.." . "The peptide vinyl sulfone, WLL-vs, is a highly selective covalent inhibitor of the P. falciparum proteasome .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Compound 2 is a representative compound from a novel class of hybrid molecules, combining structural domains from and . It consists of an azalide scaffold linked to a chloroquinoline aromate and demonstrates improved antimalarial efficacy over the parent compounds ." . "T5-8 has been reported as an agonist of the bitter taste receptor TAS2R5 . It has been proposed as a novel bronchodilator that acts via agonism of TAS2R5 expressed in airway smooth muscle cells." . "PF-06928215 is reported as a small molecule, high affinity inhibitor of cyclic GMP-AMP synthase (cGAS) . It was identified using a high throughput cGAS fluorescence polarisation (FP)-based assay. The action of PF-06928215 confirmed cGAS' druggability, and can be used as an experimental tool compound." . "Bamlanivimab is a monoclonal antibody against the surface spike protein of SARS-CoV-2. It was developed by Eli Lilly, but such is the speed of COVID-19 therapeutic development, there are no peer-reviewed articles that report its design, preclinical or early clinical data." . "ONC212 is an imipridone-based Class A GPCR modulating compound. It is claimed to selectively target the orphan GPCR and tumour suppressor GPR132, at which it acts as an agonist and activator of Gαq signaling . It does not engage dopamine D2 receptors. ONC212 exerts anti-tumour activity via oral and intraperitoneal delivery in xenograft mice." . "Atibuclimab (IC14) is a monoclonal antibody against CD14 . It was developed by ICOS Corporation (acquired by Eli Lilly) and is being progressed in COVID-19 by Implicit Bioscience." . "Casirivimab (REGN10933) is a fully human monoclonal antibody against the surface spike protein of SARS-CoV-2 . It is a virus neutralising mAb that was developed by Regeneron." . "Imdevimab is a fully human monoclonal antibody against the surface spike protein of SARS-CoV-2 . It is a virus neutralising mAb that was developed by Regeneron." . "Cilgavimab is a monoclonal antibody against the surface spike protein of SARS-CoV-2 . It was developed by AstraZeneca. This mAb blocks spike binding to ACE2 and prevents infection in animals. It is designed to be a long-acting agent, and in combination with (co-packaged combination= Evusheld®), is proposed as a therapeutic for those people who are likely to respond poorly to SARS-CoV-2 vaccines, or who cannot be vaccinated for any reason, including those who are immunocompromised . Data from the Phase 3 PROVENT trial (NCT04625725) show protection from infection that lasts for at least six months. AstraZeneca have reported that Evusheld® retains neutralising activity against the BA.1 omicron (B.1.1.529) SARS-CoV-2 variant. Cilgavimab as a single agent rmore effectively neutralises the BA.2 omicron subvariant than tixagevimab in vitro , so the combination retains neutralising activity." . "Tixagevimab is a monoclonal antibody against the surface spike protein of SARS-CoV-2 . It was developed by AstraZeneca. This mAb blocks spike binding to ACE2 and prevents infection in animals. Tixagevimab is designed to be a long-acting agent, and in combination with (co-packaged combination= Evusheld®), is proposed as a therapeutic for those people who are likely to respond poorly to SARS-CoV-2 vaccines, or who cannot be vaccinated for any reason, including those who are immunocompromised . AstraZeneca have reported that Evusheld® retains neutralising activity against the omicron (B.1.1.529) SARS-CoV-2 variant." . "Regdanvimab (CT-P59) is a recombinant monoclonal antibody against the surface spike protein of SARS-CoV-2 . It was developed by Celltrion. Regdanvimab inhibits SARS-CoV-2 infection via steric hindrance of its binding to human ACE2." . "Sotrovimab (VIR-7831) is a monoclonal antibody that binds to a highly conserved epitope within the surface spike glycoprotein of sarbecoviruses. The parental antibody, from which sotrovimab was derived, was originally identified in the memory B cells of a patient who had recovered from SARS-CoV infection. Sotrovimab was progressed by GSK and Vir Biotechnology as a COVID-19 therapeutic . Sotrovimab retains some activity against the omicron BA.1 (B.1.1.529) SARS-CoV-2 variant (bioRxiv preprint ), but it activity against the BA.2 omicron subvariant is lower ." . "Zansecimab (LY3127804) is a humanised IgG4 monoclonal antibody that targets angiopoietin 2 (Ang2). It was designed and developed by Eli Lilly to block angiogenesis as an anti-tumour mechanism. As Ang2 is elevated in acute respiratory distress syndrome (ARDS), Eli Lilly chose to evaluate LY3127804 in patients hospitalised with COVID-19 pneumonia, to ascertain if this approach could reduce the risk of developing ARDS in at risk patients. The COVID study was terminated for futility after around 6 months.
The peptide chain sequences of zansecimab (from its INN submission) are identical to sequences claimed in Eli Lilly's patent WO2015179166A1: sequences 2 and 4 comprise the heavy and light chains of the mAb designated as 'Antibody A' in the patent ." . "EG00229 is a small molecule inhibitor of the binding of VEGF-A165 to its receptor neuropilin 1 (NRP1) . It was originally developed to block neo-vascularisation in tumours. EG00229 has subsequently been used to confirm that NRP1 is a host binding factor for both SARS-CoV and SARS-CoV-2 . It binds directly to the NRP1 domain that binds to the furin-cleaved S1 fragment of the viral spike protein, and by blocking this interaction EG00229 has been shown to reduce viral infection in in vitro systems." . "Razuprotafib (AKB-9778) is an inhibitor of protein tyrosine phosphatase receptor type B (PTPRB). It functions to activate Tie2 and this activity blocks neovascularisation ." . "BI-3802 is a small molecule that promotes ubiquitin-mediated, proteasomal degradation of the oncogenic transcription factor BCL6 . It binds to BCL6's BTB domain and initiates polymerization of BCL6 into structural foci that become targets for ubiquitination by the SIAH1 E3 ubiquitin ligase. BI-3802's mechanism of action is distinct from those of PROTACs and molecular glue type protein degraders . BI-3802-promoted degradation of BCL6 results in significant derepression of BCL6 target genes and anti-proliferative effects in model cancer cell lines. The chemical structure was claimed in a patent granted to Boehringer Ingelheim in 2018 ." . "SBI-0206965 inhibits the autophagy regulating kinase ULK1 in biochemical and cellular assays (measuring inhibition of phosphorylation of the downstream substrates VPS34 and Beclin1), and is a tool compound for experimental applications . UKL1 and -2 are the only serine/threonine (S/T) kinases in the core autophagy pathway, and they are considered to be relevant druggable targets based on their participation at the first committed step towards autophagy. Because tumours can become addicted to autophagy for survival, inhibition of the autophagy pathway has been examined as a novel approach to cancer therapy that might be applicable across a broad range of cancer types." . "SBP-7455 is a dual ULK1/2 inhibitor . It inhibits ULK-regulated autophagy, and synergises with the PARP inhibitor to block proliferation of triple-negative breast cancer cells in vitro. UKL1 and -2 are the only serine/threonine (S/T) kinases in the core autophagy pathway, and they are considered to be relevant druggable targets based on their participation at the first committed step towards autophagy. Because tumours can become addicted to autophagy for survival, inhibition of the autophagy pathway has been examined as a novel approach to cancer therapy that might be applicable across a broad range of cancer types." . "Naxitamab (hu3F8) is a humanized monoclonal antibody that targets ganglioside GD2 that was developed by Y-mAbs Therapeutics for potential to treat high risk neuroblastoma . GD2 is a sialised glycosphingolipid cell adhesion molecule, that is highly expressed on neuroectoderm-derived tumours and sarcomas, including neuroblastoma, retinoblastoma, melanoma and small cell lung cancer . Naxitamab stimulates antibody-dependent cell-mediated cytotoxicity (ADCC) against GD2-expressing tumour cells .
Protein BLAST analysis of the peptide sequences of the heavy and light chains from the INN submission for naxitamab, show 100% matches with sequences in patent US10167341B2, which claims 'High affinity anti-GD2 antibodies' . From sequence comparisons, naxitamab would appear to be referred to as hu3F8V1 in this patent." . "Berotralstat (BCX7353) is an orally bioavailable inhibitor of plasma kallikrein, a proteinase that is encoded by the KLKB1 gene in humans . Plasma kallikrein cleaves Lys-Arg and Arg-Ser bonds in (human) kininogen to release bradykinin. Inhibition of this activity is exploited to reduce bradykinin levels in human disease where abnormally elevated bradykinin induces pathologic vascular permeability and swelling, as seen in patients with hereditary angioedema (HAE; caused by loss of C1 inhibitor SERPING1 expression).
The 'flat' structure of berotralstat with no specified stereochemistry is claimed as compound 52h in Biocryst Pharmaceuticals' patent WO2015134998A1 ." . "Ganglioside GD2 is a disialoganglioside cell adhesion molecule that is expressed on tumours of neuroectodermal origin, but which has restricted presence on normal cells. It is a drug target for neuroectoderm-derived tumours and sarcomas, including neuroblastoma, retinoblastoma, melanoma and small cell lung cancer . Two monoclonal antibodies that target GD2 have been approved for clinical use in patients with high risk neuroblastoma: (2015) and (2020). Both of these mAbs stimulate antibody-dependent cell-mediated cytotoxicity (ADCC) against GD2-expressing tumour cells." . "EST64454 is reported as a σ1 receptor antagonist . In vivo evidence suggests a role in pain management. It is one of the compounds that are claimed in patent WO2011147910A1 'Pyrazole compounds as sigma receptor inhibitors' ." . "C5apep is a modified C-terminal fragment of C5a . This construct behaves as full agonist for Gαi coupling (cAMP response) and extracellular signal-regulated kinase 1/2 (ERK1/2) phosphorylation, but is a partial agonist for β-arrestin recruitment and receptor endocytosis." . "Avdoralimab (IPH5401) is a fully human IgGκ monoclonal antibody that targets the complement C5a receptor 1, and blocks C5a/C5aR1 signalling in subsets of myeloid-derived suppressor cells (MDSCs) and neutrophils. It has immunomodulating activity." . "Vilobelimab (IFX-1) is a chimeric IgG4 monoclonal antibody against the terminal complement component, anaphylatoxin C5a. It was developed for potential to treat complement mediated inflammatory diseases. Vilobelimab blocks C5a/C5aR1 signalling in subsets of myeloid-derived suppressor cells (MDSCs) and neutrophils." . "Ciclopirox was originally developed as an antifungal drug. It also has anti-inflammatory activity, which is potentially mediated via inhibition of PARP-1." . "65PF is a small-molecule probe that can be used to explore the active site cavity of cytochrome P450 enzyme 1A1 ." . "5H78PF is a small-molecule probe that can be used to explore the active site cavity of cytochrome P450 enzyme 1A2 ." . "Sulfaphenazole is a long-acting sulfonamide antibacterial." . "Berberine is a botanical alkaloid compound that has found use in traditional medicine in some countries. It is poorly orally bioavailable and interacts adversely with prescription drugs." . "A rationally designed lead compound that provides evidence of the prospect of targeting CYP2E1 for the treatment of alcoholic steatohepatitis (ASH) ." . "Miltefosine is an antiprotozoal (anthelmintic) drug that is primarily used to treat leishmaniasis. It has additional anticancer and immunomodulatory/anti-inflammatory activities . The antitumour activity of miltefosine is principally mediated through the inhibition of Akt phosphorylation , which exerts a modulatory effect on the phosphatidylinositol 3-kinase (PI3K)-Akt/PKB cellular survival pathway." . "LY3405105 is a clinical stage kinase inhibitor. It inhibits the activity of CDK7 and is being investigated for anti-tumour potential . The chemical structure is one of those claimed in Eli Lilly's patent WO2019099298A1 . The absolute stereochemistry of LY3405105 is unclear. Sava et al. (2020) present the structure without specified stereochemistry . We show the (3S) enantiomer, which is Example 1 in the patent as this was the most potent CDK7 inhibitor, and it was the example that was tested for in vitro and in vivo anti-proliferative activity.." . "MDL12330A is a non-selective adenylyl cyclase inhibitor . It also modulates cyclic GMP metabolism and cyclic AMP phosphodiesterase activities . It used as an experimental tool, most commonly as the hydrochloride salt." . "Napabucasin (BBI608) is a small molecule naphthoquinone that blocks cancer stemness properties , It does this by targeting the signal transducer and activator of transcription 3 (STAT3) pathway . Napabucasin is orally administered, and is bioactivated by the intracellular antioxidant NAD(P)H:quinone oxidoreductase 1 (NQO1), to produce reactive oxygen species (ROS), principally NO. The high level of NO generation causes cell death, and positively correlates with the compound's anti-proliferative activity in cancer cells .

COVID-19: Napabucasin has been proposed as a potential repurposing candidate for the treatment of COVID-19, based on a virtual screening analysis of the interaction of existing approved and experimental compounds with the SARS-CoV-2 main protease (Mpro) . Extensive in vitro and in vivo studies would be required to validate napabucasin's antiviral activity." . "Crenigacestat (LY3039478) is an oral γ-secretase/NOTCH pathway inhibitor that was developed for anti-tumour potential . Structurally, it is a modified four amino acid peptide. It shows some selectivity for NOTCH 1 signalling ." . "MK-0752 is a γ-secretase and Notch pathway inhibitor that was originally intended for the treatment of Alzheimer's disease, but was later redeployed for anti-tumour potential." . "A radiolabelled analogue of the food-derived tripeptide Ile-Pro-Pro, that was use to demonstrate PEPT1-mediated transport of IPP across the small intestinal epithelium ." . "Brontictuzumab (OMP-52M51) is a fully human anti-NOTCH1 monoclonal antibody . It was developed by OncoMed Pharmaceuticals. Peptide sequence analysis reveals that the heavy and light chains that make up brontictuzumab are claimed in Oncomed patent US20140011271A1 . The heavy chain is SEQ ID NO:22 (52M51-H4), and the light chain is SEQ ID NO:26 (2M51L3), making the brontictuzumab structure 52M51H4L3." . "IMR-1 is a small molecule inhibitor of Notch-mediated transcription . It binds to the intracellular domain of Notch1 and blocks recruitment of the Mastermind-like 1 protein to the Notch transcriptional activation complex on chromatin. It is an experimental tool compound." . "DAPT is a γ-secretase inhibitor that is used experimentally to inhibit NOTCH pathway signalling. Chemically it is a modified di-peptide (IUPAC Condensed name Unk-Ala-Phg-OtBu)." . "JTV-803 is a small molecule, selective and direct inhibitor of Factor Xa . It inhibits thrombus formation in in vivo models . It is generally used as the mesylate salt." . "DX-9065a is a synthetic, selective and direct inhibitor of coagulation factor Xa . It inhibits thrombin generation and induces strong anticoagulant and antiplatelet actions in human blood." . "Osocimab (BAY 1213790) is a fully humanized monoclonal antibody that targets activated Factor XI . It is being investigated for clinical prevention of thrombosis ." . "A radiolabelled Gly-Sar dipeptide derivative that was designed as a potential peptide transporter PET imaging reagent ." . "Epalrestat (ONO-2235) is an orally active inhibitor of aldose reductase (AR). It was originally developed for potential to treat peripheral nerve (e.g. diabetic) damage , but was later evaluated for anti-cancer action . Epalrestat has been shown to inhibit several isozymes of the CYP4 family in vitro , and is most potent at CYP4A11 ." . "Sesamin is a natural product that can be extracted from sesame seeds. It has been reported to have antihypertensive action, that is associated with inhibtion of CYP4F2-catalysed (20-hydroxyeicosatetraenoic acid) production . 20-HETE is a vasoactive and natriuretic eicosanoid." . "HET0016 is a tool comound that is used to investigate CYP4 family enzymes. It is known to inhibit CYP4A11 and CYP4F enzymes." . "This is the first reported inhibitor with selectivity for Cytochrome P450 4Z1 (CYP4Z1) . It provides an novel tool for further exploring the biochemical role of CYP4Z1 and its proposed association with breast cancer." . "Troriluzole (BHV-4157) is a prodrug of the voltage-dependent calcium channel blocker riluzole. Chemically it is riluzole conjugated to a tripeptide carrier (IUPAC sequence H-Gly-Gly-Sar-Unk, where Unk = the riluzole component), and the active moiety is released by peptidases in vivo. The prodrug is more stable than riluzole and is suitable for once-daily dosing." . "Bintrafusp alfa (M7824) is an investigational bifunctional fusion protein that combines two TGFβ 'trap' domains (derived from the extracellular domain of TGFBR2) that are linked to each of the C-terminal domain of the heavy chains of an anti-PD-L1 IgG1 monoclonal (mAb) . The antibody component is similar to the anti-PD-L1 mAb and similarly, bintrafusp alfa was developed as a cancer immunotherapeutic . Based on evidence that both the TGFβ pathway and the PD-PD-L1/PD-1 immune checkpoint are associated with tumour immune evasion, simultaneous targeting these pathways was predicted to control tumour growth by restoring and enhancing anti-tumour immune responses ." . "This is a modified analogue of human INSL5, that behaves as a RXFP4 antagonist . The Arg23 residue in the B-chain is replaced by norarginine (NR)." . "NS6740 (A-582941) is described as a silent agonist (or metagonist) of α7 nicotinic acetylcholine receptors (CHRNA7; nAChR, a ligand-gated ion channel) . This means that it binds to the receptor but has no intrinsic agonist activity (and may induce conformational change to a non-conducting state), but it does increase receptor sensitivity to positive allosteric modulators (PAMs). The α7 nAChR; is a promising drug target inflammatory diseases and neurological disorders (e.g. chronic and neuropathic) pain. NS6740 can be used to explore the most suitable mechanistic approach by which to achive clinical benefit from modulating the α7 nAChR ." . "GTS-21 (DMBX-A), is a novel, small-molecule, orally active and selective α7 nicotinic acetylcholine (nACh) receptor agonist, that has been advanced to clinical evaluation in a range of conditions . There is a report that the anti-inflammatory effects of GTS-21 may be in part due to α7 nACh receptor-independent activity ." . "4OH-GTS-21 is an anlaogue of . Like the parent molecule is acts as an agonist at the α7 nicotinic acetylcholine receptor (a ligand-gated ion channel)." . "Cabotegravir (GSK1265744, CAB) is a long-acting HIV integrase inhibitor. It is structurally related to ." . "Rilpivirine is an oral non-nucleoside reverse transcriptase inhibitor (NNRTI) HIV medication." . "Compound 40 is a non-cyclic dinucleotide agonist of stimulator of interferon gene (STING) pathway . It was developed for immuno-oncology potential. In vitro, compound 40 has been shown to bind directly to all human STING isoforms tested, and to mouse STING." . "Voclosporin (ISA247, ISATX247) is a cyclic peptide that is a semi-synthetic cyclosporine analogue , but with distinct clinical efficacy and safety profiles . Like cyclosporine, it has immunosuppressive action, and it binds cyclophilin A . Functionally, it acts as a calcineurin inhibitor. Prior to voclosporin, clinically used calcineurin inhibitors were cyclosporine (), , and ." . "Dotinurad, a novel selective urate reabsorption inhibitor (SURI), that acts on the URAT-1 transporter." . "PD-146176 is a 15-LOX inhibitor ." . "SC-58125 is a selective cyclooxygenase-2 (COX-2) inhibitor ." . "TCD007 is an inhibitor of hematopoietic prostaglandin D synthase ." . "BW B70C is a 5-lipoxygenase (5-LOX) inhibitor." . "2-TEDC is used as 5-, 12- and 15-lipoxygenase inhibitor ." . "MK-7110 (originally OncoImmune's CD24Fc) is a synthetic protein that fuses the nonpolymorphic regions of CD24 (which is an agonist of Siglec-10) to the Fc region of human IgG1 . It.is being investigated as a modulator of the innate immune system, originally as an intervention to ameliorate graft-versus-host disease in leukemia patients receiving stem cell transplants, or autoimmune diseases. The peptide's sequence was extracted from OncoImmune's patent US20130231464A1 ; the first 30 amino acids are the CD24 region and the remainder belong to the IgG1 Fc domain.

SARS-CoV-2 and COVID-19: Preclinical evidence in primate viral infection models showed that MK-7110 offered potential as a non-antiviral biological modality that could be applied to reduce inflammation in SARS-CoV-2 infection." . "Plitidepsin was isolated from the sea squirt Aplidium albicans. It was found to have potent anti-tumour activity, that is mediated via modulation of human elongation factor 1-α (eEF1A) proteins and the translation process. Plitidepsin is also an immunomodulator and has antiviral properties.

SARS-CoV-2: The coronavirus exploits the eukaryotic (host) translation machinery to allow it to replicate. As a translation disruptor, plitidepsin has demonstrated in vivo anti-SARS-CoV-2 activity in mouse models of infection . Under in vitro experimental conditions plitidepsin inhibited SARS-CoV-2 replication more effectively than ." . "Compound 20 was discovered in the same SAR study as . It has slightly lower inhibitory effect on PIN1 than AG-122018, but has improved activity in whole cell assays.." . "AG-17724 is an experimental inhibitor of the catalytic activity of PPIase PIN1 (peptidylprolyl cis/trans isomerase, NIMA-interacting 1) in biochemical assay . It has limited solubility and little activity in cellular assays. from the same study has improved solubility, retains inhibition potency and is active in a cell-based proliferation assay." . "BJP-06-005-3 is a peptide-based inhibitor of peptidylprolyl cis/trans isomerase, NIMA-interacting 1 (PIN1) . It is a covalent inhibitor that targets the conserved Cys113 residue within the PiIN1 active site. BJP-06-005-3 is active in cellular assays, and offers a tool compound that is suitable for investigating PIN1 biology and its role in cancer." . "Acivicin is a structural analogue of glutamine and antimetabolite type antineoplastic agent, that inhibits several glutamate-dependent synthetic enzymes and glutamate metabolism. It also has antimicrobial and antileishmanial activities." . "JH112 is an orexin receptor antagonist . It is 75-fold selective for OX1 over OX2." . "Compound 23a is reported as an inhibitor of L-Tryptophan hydroxylase 1 (TPH1) . It shows peripherally restricted distribution in vivo. Agents with this mechanism of action are known to selectively deplete serotonin in the gastrointestinal tract, and are being investigated for potential as a therapeutic approach for the treatment of obesity and fatty liver diseases." . "LP533401 is a peripherally active inhibitor of L-Trytophan hydroxylase 1 (TPH1) that was designed by Lexicon Pharmaceuticals ." . "MI-30 is one of the SARS-CoV-2 Mpro (3CL-pro) inhibitors reported in . The most potent inhibitor of Mpro activity was , but and MI-30 were taken into in vivo studies that revealed that they had antiviral activity, and reduced both lung viral loads and lung lesions in infected mice." . "The chemical structure that was submitted for the INN zaloglanstat (described as a prostaglandin synthase inhibitor) is claimed in Glenmark Pharmaceuticals' patent WO2013186692A1 as Example 100 . The patent claims the compound as a microsomal prostaglandin E synthase-1 (mPGES-1) inhibitor for application in chronic inflammatory conditions. Online investigation (including Glenmark's US pipeline webpage) suggests that zaloglanstat could be Glenmark's lead, GRC 27864/ISC 27864 (a potent, selective, and orally bioavailable inhibitor), which has completed first-in-human evaluation in healthy trial participants ." . "Compound 5 is a glycogen synthase kinase 3β inhibitor . It suppresses growth of pancreatic cancer cells in vitro." . "Compound 4 is reported as an inhibitor of SARS-CoV-2 papain-like protease (PL-pro) . It has relatively low potency against the enzyme in a cell-free assay, but is one of the most potent inhibitors of in vitro viral replication in the study." . "The chemical structure that was submitted to the WHO for the INN cimpuciclib, matches the stucture of example 63 that is claimed in patent WO2018045956A1 . Data is provided in WO2018045956A1 for example 63's inhibitory activity at CDK4 and CDK6, and for antiproliferative activity against Colo205 colon cancer cells in vitro (IC50 141 nM) and Colo205 xenografts in nude mice." . "Deuruxolitinib (CTP-543) is a deuterium-modified analogue of the JAK inhibitor . It is an oral inhibitor that inhibits JAK1/2. The chemical structure, and its use in hair loss disorders are claimed in patent WO2017192905A1 ." . "This entry shows the chemical structure that was submitted to the WHO for the INN edaxeterkib, which is described as a tyrosine kinase inhibitor and antineoplastic. This same chemical structure is claimed in Kura Oncology's patent WO2015051341A1 as an ERK inhibitor (with prior art in WO2015051341A1, Araxes Pharma)." . "This entry was generated using the chemical structure that was submitted to the WHO for INN elraglusib. In that submission it is described as a glycogen synthase kinase inhibitor. The chemical structure also matches that of 9-ING-41 which is a maleimide-based GSK-3 inhibitor and an oncology clinical lead." . "Nemtabrutinib (ARQ-531) is a reversible, ATP-competitive kinase inhibitor, that was originally designed to inhibit Bruton tyrosine kinase (BTK) . It does not interact with BTK's catalytic domain Cys481 so may not be susceptible to resistance conferred by mutation of this residue. This is in contrast to ibrutinib, which is sensitive to alterations at Cys481. Nemtabrutinib has inhibitory activities against a range of other TEC family kinases, as well as Src and Trk kinases . This non-selective activity is believed to contribute to nemtabrutinib's efficacy against chronic lymphocytic leukemia cells." . "The chemical structure for the INN tasurgratinib resolves to E-7090 via PubChem, and is claimed as Example 22 in patent WO2014129477A1 as an inhibitor of FGFR pathway signalling ." . "This entry was generated using the chemical structure for the INN zabedosertib. This resolved via PubChem to Example 12 in Bayer's patent WO2016083433A1 . From this patent zabedosertib appears to be an IRAK4 inhibitor, that was claimed for immunomodulatory potential." . "This entry was generated from the chemical structure for the INN zeteletinib, which resolved via PubChem and SureChEMBL to Daiichi Sankyo patent WO2018060714A1 . The compounds in this patent are claimed as RET kinase inhibitors, principally for the treatment of proliferative diseases. The zeteletinib structure is claimed as Example 3. In the absence of formal name>structure disclosure we have been unable to determine the clinical development stage of this compound." . "Faricimab is a bispecific monoclonal antibody that simultaneously binds to angiopoietin 2 (Ang2) and vascular endothelial growth factor A (VEGF-A) . It is an angiogenesis inhibitor. The FcRn and FcγR binding sites of faricimab have been modified to disable its Fc‐mediated effector functions. Faricimab does not bind to Ang1 ." . "Emvododstat (PTC299) is an orally bioavailable inhibitor of dihydroorotate dehydrogenase (DHODH) that was developed by PTC Therapeutics for anti-cancer potential. It inhibits de novo pyrimidine nucleotide (UMP) biosynthesis and exhibits broad activity against leukemia in vitro and in vivo.

SARS-CoV-2: Emvododstat inhibits replication of SARS-CoV-2 in vitro (EC50 2.0-31.6 nM) and other RNA viruses . It blocks production of inflammatory cytokines in infected cell cultures." . "Sabizabulin (VERU-111) is an orally bioavailable βIII/βIV-tubulin inhibitor that was developed for anti-tumour potential . It interacts with the tubulin colchicine binding site. VERU-111 induces mitotic arrest and apoptosis in cancer cells in vitro, and inhibits xenograft tumour growth. It is suggested that like colchicine, VERU-111 may have anti-viral and anti-inflammatory actions in addition to its antiproliferative activity.
COVID-19: Sabizabulin has been repositioned as a potential therapeutic for COVID-19; in particular for patients who are hospitalised with moderate to severe COVID-19 and who are at high risk for developing acute respiratory distress syndrome (ARDS)." . "SGC6870 is a selective inhibitor of protein arginine methyltransferase 6 (PRMT6) ." . "CC-90009 is a clinical stage cereblon E3 ligase modulating drug (CELMoD), that targets the G1 to S phase transition 1 (GSPT1, a.k.a. eRF3A) protein for degradation via the CUL4-DDB1-CRBN-RBX1 (CRL4CRBN) E3 ubiquitin ligase complex . Binding of CC-90009 to cereblon alters its conformation, and promotes a change in substrate selectivity away from the transcription factors IKZF1/3 and towards to GSPT1. CC-90009-induced depletion of GSPT1 promotes apoptosis of acute myeloid leukemia (AML) cells via activation of the GCN1/GCN2/ATF4 pathway ." . "14l is reported as a selective TYK2 inhibitor . It was developed to investigate the anti-inflammatory potential of selective TYK2 inhibition." . "Itraconazole is an antimycotic drug. It inhibits fungal cytochrome P450 enzymes. It has been reported to exhibit antiviral activity towards SARS-CoV-2 (in VERO-E6 cells), potentially via inhibition of the virus' main protease (M-Pro, 3CL-Pro)." . "Oseltamivir is an oral antiviral prodrug. Its active metabolite inhibits influenza neuraminidases and prevents new viral particles from being released from infected host cells." . "Posaconazole is a broad-spectrum, second generation, antifungal drug. It inhibits the fungal lanosterol 14α-demethylase, which reduces production of ergosterol (an important component of the fungal cell wall)." . "Tirzepatide (LY3298176) is a clinical stage dual GIP/GLP-1 agonist ('twincretin'), that was developed to help manage type 2 diabetes mellitus (T2DM) and as a novel anti-obesity medication. Structurally it is 39 amino acid linear peptide that is conjugated to a C20 fatty diacid moiety by a linker connected to the lysine20 residue. The dual agonist approach produces a synergistic effect on the insulin and glucagonostatic responses compared to a GLP-1 agonist () alone . It was the first dual-targeting single agent to be approved for T2DM management." . "Viltolarsen is an antisense phosphorodiamidate morpholino oligomer (PMO) class nucleotide drug. Its abbreviated chemical/nucleotide structure is all-P-ambo-[2',3'-azanediyl-P,2',3'-trideoxy-P-(dimethylamino)-2',3'-seco](2'-N→5')(CCTCCGGTTCTGAAGGTGTTC). Viltolarsen restores the reading frame of certain dystrophin gene mutations and promotes synthesis of a shorter but functional dystrophin protein." . "Triheptanoin is a medium-chain triglyceride that is administered as a rescue therapeutic in patients with long-chain fatty acid oxidation disorders ." . "MI-23 is the most potent of the SARS-CoV-2 Mpro (3CL-pro) inhibitors reported in . and from the same study exhibited in vivo antiviral activity, and reduced both lung viral loads and lung lesions in infected mice." . "Cetilistat (ATL-962) is an orally active anti-obesity drug, that was designed to inhibit gastrointestinal and pancreatic lipases . Its mechanism of action is similar to that of .
SARS-CoV-2: in a large scale screen of approved drugs, cetilistat exhibited potent in vitro anti-SARS-CoV-2 activity (EC50 1.13 μM in a plaque reduction assay) and dose-dependently reduced viral load ." . "This is a stabilised gastrin-releasing peptide receptor (BB2 receptor) agonist that is >4000-fold selective for the BB2 receptor over the other two bombesin receptors ." . "A radiolabelled version of that can be used as a selective tracer for BB3 receptors . It is >10,000-fold selective for BB3 over the other two mammalian bombesin receptors." . "This is a radio-labelled antagonist probe for B2 receptors . It is a derivative of (HOE140)." . "Epcoritamab (GEN3013) is a novel CD3ε/CD20 bispecific IgG1 antibody that redirects CD3+ T-cells to CD20 expressing tumour cells . Its Fc domain has been mutated to prevent FcγR and complement binding." . "Compound 5 is a non-covalent SARS-CoV-2 Mpro (3CL-pro) inhibitor with in vitro antiviral activity . It appears to provide synergistic antiviral activity with the viral polymerase inhibitor in vitro, in a replicon assay that utilised a non-infectious SARS-CoV-2 clone. Structurally, 5 is a derivative of the anticonvulsant drug , and was designed to optimise perampanel's weak (IC50100-250 μM) Mpro inhibitory activity. Several nM potency inhibitors were identified in this study (e.g. 21, IC50 18 nM in an enzyme kinetic assay), but they did not deliver antiviral activity in the in vitro assays and/or were cytotoxic. Compound 26 with 1 μM antiviral activity and no cytotoxicity was highlighted as a significant lead structure. The crystal structure of 5 bound to SARS-CoV-2 Mpro has been resolved to 1.8 Å and was submitted to the Protein Data Bank with accession ID 7L11." . "Casimersen is an antisense phosphorodiamidate morpholino oligomer (PMO) that is approved to treat certain patients with Duchenne muscular dystrophy (DMD). It promotes functional dystrophin synthesis in patients who have dystrophin gene variants that are amenable to exon 45 skipping, that is sufficient to restore some muscle function and slow disease progression.
The INN record for casimersen provides chemical identity as all-P-ambo-[2',3'-azanediyl-P-(dimethylamino)-P,2',3'- trideoxy-2',3'-seco](2'-N→5')(C-A-A-T-G-C-C-A-T-C-C-T-G-G-A-G-T-T-C-C-T-G) 5'-{P-[4-({2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}carbonyl)piperazin-1-yl]-N,Ndimethylphosphonamidate}, but we have been unable to resolve this to a SMILES or full IUPAC descriptor." . "GS-441524 is the parent nucleoside that is metabolically liberated from . Both compounds block RNA transcription by inhibiting the viral RNA-dependent RNA polymerase (RdRP). GS-441524 is the major metabolite and persists in the circulation with a longer half-life than remdesivir. GS-441524 potently inhibits SARS-CoV-2 replication in in vitro and in vivoinfection models ." . "Lenacapavir (GS-6207) is a novel long-acting anti-HIV lead that binds to the virus' at a conserved interface between capsid protein monomers . This mechanism disrupts early and late phases of the viral replication cycle . PDB entry 6V2F shows the crystal structure of lenacapavir-bound HIV capsid hexamer." . "Serdexmethylphenidate (KP484) is a prodrug that is a slow-release derivative of (d-MPH)." . "PSB-16133 is a P2Y4 receptor selective antagonist . We show the chemical structure for the parent molecule. It also appears in online chemistry resources as the sodium sulphonate (PubChem CID 132574706)" . "TIM-38 is a P2Y6 receptor selective antagonist ." . "MRS4625 is a selective P2Y14 receptor antagonist ." . "Selepressin (FE 202158) is a peptidic vasopressin V1A receptor full agonist ." . "The pyrazole sulfonamide, DDD85646, was first identified as a potent N-myristoyltransferase (NMT) inhibitor in T. brucei, the parasite that causes African sleeping sickness (trypanosomiasis) . The compound also has antimalarial activity .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "MMV019313 is a drug-like compound that was chosen as one of the chemotypes included in the MMV Malaria Box . It is the first non-bisphosphonate inhibitor of P. falciparum bifunctional farnesyl/geranylgeranyl diphosphate synthase (PfFPPS/GGPPS) to be described and is highly selective for the Plasmodium target .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "CC-401 was originally identified as a c-Jun N-terminal kinase (JNK) inhibitor. It was developed by Celgene who advanced it into clinical trial for anti-leukemia potential , but this programme was abandoned. CC-401 was subsequently found to inhibit DYRK1A and DYRK1B . It promotes replication of pancreatic β-cells in vitro (rat and human) and in vivo (rat) via DYRK1A/B-dependent mechanisms." . "JK1 is a small molecule agonist of the relaxin family peptide receptor 4 (RXFP4) ." . "B1-27 is relaxin-3 B-chain analogue ." . "Compound 4 is small molecule agonist of the relaxin receptors RXFP3 and RXFP4 . It increases food intake in rats." . "R3 B1-22R is a synthetic, linear, relaxin-3 B-chain-based relaxin receptor RXFP3 antagonist ." . "This is TAMRA labelled relaxin peptide that can be used in fluorescent detection assays such as NanoBRET . The orange-red TAMRA fluorescent dye is added at the N terminus of the A-chain of relaxin. This dimerises with to form H2 relaxin." . "MMV009108 is a drug-like compound that was chosen as one of the chemotypes included in the MMV Malaria Box . It is one of three structurally diverse small molecules that have been shown to inhibit P. falciparum Niemann-Pick type C1-related protein (PfNCR1) .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "This is a derivative of relaxin-2 that has been modified so that it can be conjugated with NanoLuc to generate a ligand that can be used in bioluminescencent assays ." . "This is a semi-synthetic derivative of relaxin/INSL5. It is a chimera of a synthetic relaxin-3 B-chain and a recombinant INSL5 A-chain (R3/I5) . The R3/I5 peptide construct is conjugated with NanLuc to enable its use in bioluminescent ligand-receptor interaction assays ." . "MMV689258 is the lead compound from a new class of pantothenamides that are resistant to inactivation by serum pantetheinases ." . "Tilarginine acts as a pan-nitric oxide synthase (NOS) inhibitor. Chemically it is a conformationally restricted arginine analogue . It was investigated for potential immunomodulating and antineoplastic activities." . "BRD9185 is the optimized lead from a novel structural class of P. falciparum dihydroorotate dehydrogenase (PfDHODH) inhibitors with potent antimalarial activity . Chemically it is a azetidine-2-carbonitrile compound.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Ensovibep (MP0420) is a 'designed ankyrin repeat protein', or DARPin, that is engineered to contain domains that bind to the same epitope region within the SARS-CoV-2 spike glycoprotein RBD but with three different antigen-binding sequences. It is designed to bind to the spike protein with high affinity, with the aim of neutralizing the virus. MP0420 was developed by Molecular Partners for antiviral potential in response to the SARS-CoV-2 pandemic . Preclinical data (unpublished as of March 2021) is claimed to support MP0420's potential efficacy as both a prophylactic and as an acute therapy. DARPins have properties that make them easier to maufacture, store, transport and administer compared to full sequence antibodies. Molecular Partners have partnered with Novartis to progress MP0420 through manufacturing and clinical development.

MP0423 is a second high-affinity anti-SARS-CoV-2 DARPin in Molecular Partners' pipeline. Like MP0420, MP0423 is tri-specific, but it simultaneously targets three different parts of the coronavirus spike glycoprotein." . "Compound 5b (synthesised as the dihydrochloride salt) is an orthosteric antagonist of ASIC1a ion channel ." . "JNJ-799760 is an allosteric antagonist of the ASIC1a ion channel ." . "JNJ-67869386 is an allosteric antagonist of the ASIC1a ion channel ." . "NS383 inhibits acid‐sensing ion channels (ASICs) that contain 1a and 3 subunits ." . "Ugr 9-1 is a derivative of a sea anemone peptide toxin from Urticina grebelnyi. it acts as a reversible inhibitor of ASIC3 ion channels ." . "ALM201 is a small 23 amino acid peptide that is derived from the FK506 binding protein FKBPL. It has anti-angiogenic and anti-tumour activities ." . "Firategrast (SB-683699) is an orally bioavailable, short-acting small molecule α4-integrin antagonist. It was designed to reduce α4β1/α4β7 integrin-mediated trafficking of lymphocytes into the central nervous system (CNS). Anti-α4-integrin is currently approved to treat MS, but its long half-life is problematic, and it has to be administered by infusion. This short acting small molecule was developed as an alternative to antibody therapy." . "Valategrast (RO-0272441) is an orally available, small molecule α4 integrin inhibitor that was developed by Roche . It is active at α4β1 and α4β7 integrins." . "Zaurategrast (CDP-323) is a small molecule inhibitor of α4-containing integrin complexes that was developed by Celltech . It was intended as a new oral drug treatment for multiple sclerosis . Zaurategrast has the same mechanism of action as the approved MS therapeutic . Zaurategrast is an ester prodrug whose active entity is CT7758 ." . "BTT-3033 is an α2β1 integrin inhibitor that blocks platelet attachment to collagen ." . "CPN-116 is a neuromedin U receptor type 2 (NMUR2) selective hexapeptide agonist ." . "CPN-219 is a stibilised analogue of the selective neuromedin U receptor type 2 (NMUR2) hexapeptide agonist ." . "BMS-986166 is a SIP1R biased agonist . It is proposed for immunomodulatory potential in autoimmune diseases. The active entity is the phosphate metabolite BMS-986166-P, but we show the parent molecule here." . "This is a biased agonist of the S1P1 receptor, with immunomodulatory potential " . "This is a biased agonist of the S1P1 receptor, with immunomodulatory potential " . "S1P d20:1 is S1P with a 20-carbon long-chain base length . Mechanistically it may behave as an endogenous modulator of S1P signaling via partial agonism at the S1P2 receptor." . "PCS1055 is a muscarinic M4 receptor antagonist ." . "EK-1 is a synthetic peptide whose sequence was derived from the heptad repeat (HR) domain of the S2 subunit of the spike protein of human coronavirus (hCoV) OC43 . It interacts with the spike protein's HR1 domain and blocks the conformational changes in spike that are essential for viral fusion with the host cell membrane. EK-1 therefore acts as a functional fusion inhibitor. The spike HR1 domain is conserved among various hCoVs (MERS-CoV, SARS-CoV, CoV-OC43) making this a suitable target for the development of pan-CoV therapeutics, against existing pathogenic hCoVs, and against novel strains that are likely to emerge in the future. EK-1 has been proposed as such a pan-CoV viral fusion inhibitor based on experimental evidence . EK-1 was developed prior to the emergence of SARS-CoV-2 in 2019. A study published in 2021 reported that EK-1 (and a modified lipidated version EK-1-C4 ) inhibited infection by the B.1.351 and P.1 CoV-2 variants which arose during the SARS-CoV-2 pandemic and that are insensitive to neutralising antibodies (escape variants), including some of those that have been approved for clinical use ." . "Antagonises the vascular prohypertensive actions of 20-hydroxyeicosatetraenoic acid () . We show the parent structure without the two sodium atoms." . "This is the lipopeptide version of . It has cholesterol fused at the C terminal via a short peptide linker and a flexible polyethylene glycol (PEG) spacer. Like EK-1 it acts as a viral fusion inhibitor that blocks infection by a range of human coronavirus pseudoviruses and live viruses, including SARS-Co-V and SARS-CoV-2. It is significantly more potent than EK-1, and is active in vitro and in vivo." . "Viloxazine was originally described as a selective norepinephrine reuptake inhibitor (NRI), principally based on its ability to potentiate noradrenergic effects. It also modulates 5-HT (serotonin) activity, via antagonistic activity at 5-HT2B and agonistic activity at 5-HT2C receptors, and it increases extracellular 5-HT levels in the prefrontal cortex (PFC) . Viloxazine's chemical structure is different from conventional tri- or tetra-cyclic antidepressants. The INN stipulates a racemic mixture of enantiomers. We show the structure without specified stereochemistry to represent the mixture. The hydrocholride salt (SPN-812) was progressed by Supernus Pharmaceuticals for attention deficit hyperactivity disorder (ADHD) in children and adults." . "PF-07321332 (nirmatrelvir) is an oral antiviral clinical lead. It is a covalent inhibitor of SARS-CoV-2 Mpro (main protease, 3CLpro) that binds to cysteine145 within the enzyme's catalytic domain . Mpro is essential for coronavirus replication. Inhibiting Mpro actvity blocks replication at an early stage in the virus' life cycle. Due to structural similarities between the Mpro's of other coronavirusus, PF-07321332 offers the potential of pan-coronavirus activity. In vitro it is suggested to inhibit replication of CoV-2 variants including delta and omicron.

PF-07321332 is structurally similar to . Prior to peer-reviewed name-to-structure disclosure, we obtained the structure represented here from an online report by Dr Bethany Halford who attended a session by Dafydd Owen (Pfizer) at the ACS Spring 2021 meeting (@beth_halford image on Twitter) which rendered the SMILES string N#C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]1N(C[C@H]2[C@@H]1C2(C)C)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F. PF-07321332's chemical structure was formally disclosed in Owen et al's Science article in November 2021 , and this confirmed the structure that was obtained from the ACS meeting." . "Lopinavir is an antiretroviral protease inhibitor. It has subsequently been discovered to exhibit antiviral activity against human papilloma virus (HPV), and to inhibit MERS-CoV replication in vitro . Antiviral activity against SARS-CoV-2 has been explored , however lopinavir/ritonavir therapy provided no benefit in hospitalised COVID-19 patients ." . "Compound 12d is a boronic acid-containing agent that was designed as a selective inhibitor of the AAA+ ATPase, LONP1 . It provides a tool compound that is suitable for investigating LONP1 biology in vitro. Compound 12d has negligible activity at the 20S proteasome." . "DSM705 is a lead from a pyrrole-based series of antimalarial compounds that inhibit P. falciparum dihydroorotate dehydrogenase (PfDHODH) . This series of PfDHODH inhibitors could provide a potential backup candidate, with an alternative scaffold, to the clinical lead DSM265." . "GDC-0134 is a dual leucine zipper kinase (DLK) inhibitor . It was developed by Genentech for the treatment of amyotrophic lateral sclerosis (ALS, a.k.a. motor neurone disease, MND). GDC-0134 was proposed to decrease disease progression. The chemical structure shown here wasdrawn using Marvin JS (ChemAxon), which gave SMILES that resolve to the PubChem CID listed below. Other drawring tools my produce SMILES that generate an InChiKey with an alternative stereo layer." . "JNJ-67856633 is a selective, allosteric mucosa-associated lymphoid tissue lymphoma translocation protein 1 (MALT1) protease inhibitor . It was developed for antineoplastic potential." . "ML1000 is a representative of a new class (chemical scaffold) of coronavirus main protease (Mpro) inhibitors . Structurally it is derived from the ketoamide inhibitor with a γ-lactamyl group in place of the P1 cyclobutanyl group." . "BMS-986299 is a NLRP3 inflammasome modulator (agonist) . It induces production of IL-1β and IL-8 and it is being examined for immunomodulatory and antineoplastic activities. Enhanced IL-8 is predicted to induce tumouricidal activity of natural killer (NK) cells against cancer cells." . "M4205 is a potent and selective inhibitor of the KIT proto-oncogene, receptor tyrosine kinase (cKIT). It retains activity against cKIT with exon 11, 13 or 17 resistance mutations, and provides good selectivity in biochemical and cellular assays. M4205's ADME profile supports its potential as a clinical candidate. Merck intend to progress M4205 to clinical evaluation for GIST (information as of April 2021)." . "ARV471 is a bifunctional compound that is estrogen receptor (ER) degrader (PROTAC) . It uses a cereblon-based binder to direct ER protein degradation. ARV471 is being investigated for potential to treat breast cancer." . "ARV110 is a bifunctional compound (PROTAC). One end of the molecule binds to the androgen receptor and the other binds to the cereblon E3 ligase and directs the AR for proteasome-mediated degradation . It has clinical potential as an oral therapy for metastatic castration-resistant prostate cancer. PubChem CID 134414307 represents the molecule without specified stereo chemistry." . "Zavegepant is a clinical stage oral CGRP receptor antagonist , that was developed as a drug to prevent migraine. It has been designed for intranasal delivery." . "CVN424 is a first-in-class, clinical stage, nondopaminergic inverse agonist of GPR6. It is orally bioavailable, and can penetrate the CNS . In in vivo Parkinson's disease models, inhibiting GPR6 activity with CVN424 normalises both activity in basal ganglia circuitry and motor behaviour." . "K777 is a clinical stage irreversible cysteine protease inhibitor. It has reported activity at human cathepsin L and other CA clade cysteine proteases . Original reports revealed anti-parasitic effects in vitro and in animal models .

SARS-CoV-2: Cathepsin L in human host cells is implicated in the processing (cleavage) of the viral spike protein of SARS coronaviruses, that is part of the viral entry process. K777 blocks SARS-CoV-2 infection in vitro." . "TAK-418 is an orally administered, brain-penetrant lysine-specific demethylase 1 (LSD1; KDM1A) inhbitor that was developed by Takeda for potential to treat neurodevelopmental disorders . The compound is proposed to correct the persistent epigenetic dysregulation (thus restoring gene expression homeostasis) that is believed to underlie the pathophysiology of neurodevelopmental disorders such as autism spectrum disorder." . "Soticlestat (TAK-935, previously OV935) is a first-in-class, clinical stage, orally administered cholesterol 24-hydroxylase (CYP46A1) inhibitor. It is being investigated as a novel anti-epileptic modality for pediatric forms of epilepsy , such as Dravet syndrome and Lennox-Gastaut syndrome . Cholesterol 24-hydroxylase is a brain-specific enzyme (in humans) that converts cholesterol to 24S-hydroxycholesterol. 24S-hydroxycholesterol acts as a positive allosteric modulator of N-methyl-D-aspartate (NMDA) receptors. Soticlestat blocks 24S-hydroxycholesterol production in the brain in an in vivo mouse model ." . "Dostarlimab is a humanized, IgG4κ programmed cell death 1 (PD-1) blocking monoclonal antibody from GlaxoSmithKline." . "Compound 8 is a SARS‐CoV‐2 Mpro inhibitor ." . "Compound 17 is a SARS‐CoV‐2 Mpro inhibitor ." . "Loncastuximab tesirine (ADCT-402) is an antibody-drug conjugate that delivers the toxic payload teserine (pyrrolobenzodiazepine dimer SG3249, which acts as a DNA alkylating and cross-linking agent ) to CD19-expressing B cells ." . "FTX-6058 binds to embryonic ectoderm development (EED) and induces foetal haemoglobin (HbF) tetramer production via modulation of PRC2. It was developed by Fulcrum Therapeutics as an oral drug for the treatment of sickle cell disease or beta thalassemia. We matched the chemical structure for the INN 'pociredir' (from the WHO's proposed INN list 127, July 2022) to the structure for FTX-6058." . "Aficamten (CK-3773274) is an orally administered cardiac myosin inhibitor that was developed by Cytokinetics as a potential treatment for hypertrophic cardiomyopathies . It was designed to reduce the hypercontractility of cardiac sarcomeres that is thought to drive hypertrophy and fibrosis in heart muscle, by binding directly to a distinct and selective allosteric binding site on cardiac myosin." . "PF-07104091 is a novel, selective CDK2 inhibitor. It is identical to the chemical structure for example 13 that is claimed in patent WO2020157652 . We await formal peer reviewed name to structure disclosure to confirm the structure of PF-07104091." . "AZD5305 is a novel PARP1-selective inhibitor that was developed as an oncology therapeutic ." . "This is the radio-labelled version of the dual orexin antagonist . We do not know the location of the tritium isotope." . "INCB086550 is a small molecule PD-L1 inhibitor. This is the structure that was disclosed during the ACS First Disclosures session at the spring 2021 meeting. There are many potential stereo versions of this molecule, so we await formal peer-reviewed name to structure disclosure to confirm the structure. INCB086550 was designed by Incyte Corporation for activity against advanced solid tumours, as an alternative to anti-PD-L1 monoclonal antibodies. This isomer is calimed as example 24 in patent WO2018119266A1 ." . "STM2457 is a small molecule inhibitor of the methyltransferase activity of METTL3 . X-ray crystallography shows that STM2457 binds to the S-adenosyl methionine (SAM) binding site within the enzyme's catalytic domain. In vivo work provides evidence that METTL3 inhibition is a potential therapeutic strategy against cancers, including AML." . "Temelimab (GNbAC1) is a humanised IgG4κ monoclonal antibody that binds to the extracellular domain of the human endogenous retroviral envelope protein HERV-W-Env .
SARS-CoV-2: blocking HERV-W-Env has been proposed as a mechanism to target pathologic inflammation in COVID-19 patients, based on evidence of ERV-W-Env's immunopathogenic role in immune-mediated and neurological diseases and elevated HERV-W-Env expression in T cells from SARS-CoV-2 infected individuals ." . "Abrilumab (AMG-181, MEDI-7183) is a fully human IgG2κ monoclonal antibody which selectively targets α4β7 integrin heterodimers that was developed by MedImmune. It was designed for the treatment of inflammatory bowel diseases (ulcerative colitis , and Crohn's disease)." . "SCO-267 is a GPR40 full agonist . Agonist activation of GPR40 (which stimulates secretion of insulin and incretin) is considered to be an attractive mechanism for promoting glycemic control in the treatment of type 2 diabetes mellitus." . "MM3122 is aTMPRSS2 inhibitor belonging to a novel chemotype (this reference is a bioRxiv preprint). It inhibits entry of SARS-CoV-2 and MERS-CoV in vitro." . "Compound 13ac is reported as a Janus kinase 2 (JAK2) inhibitor, with potent in vivo antitumour efficacy in a xenograft model ." . "Eltanolone (pregnanolone) is an endogenous neurosteroid that is derived from progesterone. It is a stereoisomer of (allopregnanolone). Like allopregnanolone it behaves as a positive allosteric modulator of GABAA receptors. It is often formulated as the sulphate salt. Eltanolone induces sedative, anxiolytic, anesthetic, and anticonvulsant effects." . "Pregnanolone sulphate is an endogenous neurosteroid. It behaves as a negative allosteric modulator of NMDA-induced currents in vitro . The nonsulphated analogue does not produce any significant effect on the NMDA response." . "ONO-8130 is an EP1 receptor antagonist ." . "NTP42 is a thromboxane receptor antagonist . Its chemical structure is claimed in patent WO2016203314A1 . TP signalling has demonstrable importance in the development and progression of pulmonary arterial hypertension (PAH). ATXA Therapeutics are progressing NTP42 into early stage clinical evaluation." . "Opiorphin is an endogenous pentapeptide. It reduces the breakdown of the natural analgesic enkephalins by acting as an inhibitor of enkephalin-degrading proteases including neutral ecto-endopeptidase (MME; neprilysin), ecto-aminopeptidase N (ANPEP; ANP) and dipeptidyl peptidase DPP3." . "SBC-115,337 is an orally bioavailable small molecule from Shifa Biomedical's patent WO2017222953A, in which it is claimed as an inhbitor of the proprotein convertase subtilisin kexin type 9 (PCSK9)/low density lipoprotein receptor (LDLR) protein-protein interaction as a novel mechanism to control dyslipidemia . This compound offers a first-in-class oral lead for hypercholesterolema and more generally cardiovascular disease. In the absence of formal name-to-structure disclosure, we can speculate that SBC-115,337 may be P-21 as discussed in Shifa's press release of May 2021 (link here), based on SBC-115,337 being taken into in vivo testing. Shifa are partnering with Xontogeny to progress P-21 to clinical trial." . "Sulfopin has been reported as a covalent inhibitor of peptidylprolyl cis/trans isomerase, NIMA-interacting 1 (Pin1) , an enzyme that is a cancer drug target. The compound interacts with Cys113 in Pin1's catalytic domain." . "SR-0813 is a small molecule inhibitor of the transcriptional coactivator ENL's interaction with other proteins . It targets the YEATS domain of ENL (MLLT1) and AF9 (MLLT3). The chemical structure was claimed in patent WO2021021904 ." . "SR-1114 is an ENL PROTAC degrader that was developed as part of the same study into ENL as an AML therapeutic target as the small molecule inhibitor . Both SR-1114 and SR-0813 disrupt the transcriptional function of ENL. SR-1114 achieves this by directing ENL for cereblon-dependent degradation. SR-1114-induced ENL degradation is rapid, but reversible upon withdrawl of SR-1114, and leads to suppression of multiple ENL target genes (e.g. HOXA10, MYC, MYB, FLT3, ZEB2, and SATB1)." . "This compound was reported as an inhibitor of the papain-like protease (PL-pro) of SARS-CoV-2 ." . "Belvarafenib is a clinical stage, oral RAF kinase inhibitor that is being developed in a collaboration between Genentech and Hanmi Pharmaceuticals. The chemical structure is one of those claimed in Hanmi patent WO2013100632A1 ." . "EB-42486 is a potent, oral inhibitor of leucine-rich repeat kinase 2 (LRRK2) G2019S variant that was developed by Escape Bio . LRRK2G2019S has been identified as an inherited risk variant for developing Parkinson's disease." . "FGF-19 is a fibroblast growth factor that mediates a wide range of mitogenic and cell survival activities. It is one of the endogenous ligands for fibroblast growth factor receptor 4 (FGFR4) . FGF-19 is a major player in the gut-liver axis that maintains bile acid homeostasis, its expression is induced in the liver under cholestatic and cirrhotic conditions, and it is implicated in the development of hepatocellular carcinoma (HCC)." . "Aldafermin (NGM282) is a recombinant, engineered analogue of (FGF19-mimetic) that was developed by NGM Biopharmaceuticals. Acting via the FGFR4-β-Klotho (KLB) receptor complex, aldafermin acts to suppress cholesterol 7α-hydroxylase (CYP7A1), the first and rate-limiting enzyme for bile acids biosynthesis." . "Icenticaftor (QBW251) is a compound that potentiates/improves transport of chloride ions via mutant cystic fibrosis transmembrane conductance regulator (CFTR) ion channels . It is a clinical lead for cystic fibrosis and chronic obstructive pulmonary disease (COPD) , having demonstrated clinical proofs of concept in both conditions. In patients with CF it induced significant clinical benefit in those with Class III and IV CFTR mutations. Class III and IV mutations are those which impair gating or conductance of the channel respectively . The potentiator is aleady approved to restore function in channels with class III mutations, but at the time of writing (May 2021) there was no approved potentiator for class IV mutant channels." . "Compound 4-3 is an irreversible (covalent) benzothiazepinone type glycogen synthase kinase 3β inhibitor . It has favourable drug-like properties and low cytotoxicity. Compound 4-3 binds predominantly to GSK-3β's Cys14 residue, which is unique to GSK-3β and confers selectivity for this isoform over GSK-3α." . "BIO-32546 is an autotaxin (ENPP2) inhibitor from Biogen . Autotaxin inhibitors are used to reduce LPA biosynthesis for anti-inflammatory effect. BIO-32546 shows efficacy in a rat complete Freund's adjuvant (CFA) rheumatoid arthritis model." . "Vonoprazan (TAK-438) is a first-in-class, potassium competitive acid blocker (P-CAB) class agent . It reduces gastric acid production via reversible inhibition of the gastric proton pump ATPase (a.k.a. gastric H+,K+-ATPase) . The compound appears to dock within the luminal vestibule of the proton pump's alpha subunit (ATP4A) and prevents K+ access to the ion binding domain, with a Ki of 3 nM for the wild type H+,K+-ATPase . Vonoprazan has a faster onset of action than widely used proton pump inhibitors (PPI), doesn't require acid-mediated activation and provides long-lasting inhibition (due to its slow dissociation rate) of the gastric H+,K+-ATPase ." . "Venglustat is a clinical stage oral glucosylceramide synthase (GCS) inhibitor. GCS is encoded by the UGCG gene. It was developed for potential to treat diseases in which the glycolipid glucosylceramide accumulates and leads to lysosomal dysfunction and organ damage . Venglustat inhibits glucosylceramide synthesis. Its chemical structure is claimed in Genzyme's patent WO2012129084A2 . It has subsequently been reported to act as a substrate-competitive inhibitor of N-terminal Xaa-Pro-Lys N-methyltransferase 1 (NTMT1; Q9BV86; IC50 420 nM) .

The venglustat analogue GENZ-667161 and the analogue GENZ-123346 have been shown to inhibit replication of SARS-CoV-2 in vitro , potentially by disrupting the host cell membrane dynamics which the virions depend upon for infection." . "PiN-21 is a nanobody that has been developed by scientists from the University of Pittsburgh, as an inhalable, injection-free therapy for SARS-CoV-2 infections . It was chosen from a previously identified repertoire of potent neutralizing nanobodies to the SARS-CoV-2 spike protein receptor binding domain (RBD), that were raised in Llamas immunised with the recombinant RBD . PiN-21 has demonstrated preventative and therapeutic efficacy in a hamster model that replicates moderate to severe COVID-19 disease. In this model PiN-21 achieves widespread distribution in the respiratory tract, and is active at very low concentrations. Treatment decreases viral load in the lung, reduces lung pathology, and prevents progression to viral pneumonia." . "Ziltivekimab (MEDI5117) is a humanized monoclonal antibody directed against the IL-6 ligand. It was developed to inhibit pro-inflammatory IL-6 signalling in conditions that are associated with systemic inflammation, including atherosclerosis, chronic kidney disease, and rheumatoid arthritis , and it has also been explored for anti-tumour activity . The Fc domain of ziltivekimab has been engineered to extend its half-life (by increasing affinity for FcRn), to support once-monthly administration ." . "compound 3j is the lead compound from a series of peptidic boronic acids with antimalarial activity ." . "DiABZI-4 is a non-dinucleotide STING agonist . It has been shown to protect against SARS-CoV-2 infection in cells and in vivo in the K18-ACE2-transgenic mouse infection model. The compound is active via intranasal delivery. Its chemical structure is claimed in the same GSK patent as (diABZI STING agonist-1) ." . "Brincidofovir is an orally bioavailable, lipid-conjugated (to enhance cellular penetration) ester prodrug of the acyclic nucleoside monophosphate antiviral cidofovir. The active metabolite is cidofovir diphosphate, which disrupts viral DNA polymerase activity and viral DNA replication. Brincidofovir has been investigated for infections caused by several virus families, including cytomegalovirus (CMV), BK virus (BKV), adenoviruses (AdV) , HPV , and Epstein-Barr virus (EBV), as well as for smallpox (Variola) infections.
A molecular docking study has indicated that brincidofovir interacts with both host ACE2 and SARS-CoV-2 3C-like (main) protease . Further studies would be required to validate brincidofovir as a potential therapy for SARS-CoV-2 infection." . "LY3202626 is a CNS-penetrant beta-secretase 1 (BACE1) inhibitor . It was designed to mitigate ocular and liver toxicity problems that led to termination of previous clinical BACE1 inhibitor development programmes ( and respectively)." . "This compound is reported as an inhibitor of RGS17 . It contains a substructure that is predicted to behave as a pan assay interference (PAIN) compound." . "This compound is reported as an inhibitor of RGS17 ." . "This compound is reported as an inhibitor of RGS17 . It contains a substructure that is predicted to behave as a pan assay interference (PAIN) compound." . "This compound is reported as an inhibitor of RGS17 ." . "This compound is reported as an inhibitor of RGS17 ." . "This compound is reported as an inhibitor of RGS17 . It is a naturally occurring, toxic plant-derived alkaloid." . "This compound is reported as an inhibitor of RGS17 . It is a plant-derived hexahydroxy flavonoid." . "Analog 18 is the lead from a class of antimalarial compounds based on the naturally derived tripeptide molecule carmaphycin B . Functionally these compounds inhibit the Plasmodium proteasome.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY" . "LUT014 is a BRAF inhibitor . BRAF is a component of the signalling pathway utilised by the EGFR. Inhibiting mutant BRAF in cancer cells leads to tumour shrinkage, whereas in normal cells the mitogen-activated protein kinase (MAPK) pathway is activated and proliferation is induced. This latter paradoxical effect of BRAF inhibition is being exploited to reverse inhibition of the MAPK pathway by EGFR inhibitors which is responsible for dose-limiting skin toxicity (acneiform rash) in patients treated with EGFR-targeting anti-tumour agents such as or ." . "Balsalazide is a prodrug of the anti-inflammatory drug mesalazine." . "Vaniprevir (MK-7009) is a non-covalent competitive, macrocyclic hepatitis C virus (HCV, genotype 1a and 1b) NS3/4A protease inhibitor . It has also been reported to inhibit SARS CoV-2 papain-like protease (PL-pro) in vitro ." . "Raltegravir (MK-0518) is an HIV integrase inhibitor (integrase strand transfer inhibitor) ." . "CGP-37157 is an inhibitor of the mitochondrial Na+/Ca2+ exchanger NCLX (NKCX6; SLC8B1) . Drawbacks of this inhibitor include its low efficacy, lack of selectivity and poor aqueous solubility . Improved CGP-37157 analogues are reported in ." . "Narlaprevir (SCH90051) is an oral HCV NS3 serine protease inhibitor . It is structurally related to . Narlaprevir forms a reversible covalent bond with the protease's active-site serine. It has also been reported to inhibit SARS-CoV-2 coronavirus main cysteine protease (3CLpro or Mpro) in vitro ." . "Grazoprevir (MK-5172) is an HCV NS3/4A protease inhibitor class antiviral drug . In vitro evidence of activity against SARS-CoV-2 helicase and papain-like protease (PLpro) ." . "Elvitegravir (GS-9137) is an HIV integrase inhibitor antiretroviral drug ." . "Bictegravir (GS-9883) is an HIV antiviral integrase strand transfer inhibitor. It is structurally related to ." . "Zucapsaicin is the cis-isomer of . It is a TRPV1 agonist ." . "Udenafil (DA-8159) is an oral PDE5 inhibitor that was developed by Dong-A Pharmaceutical Company for erectogenic potential ." . "Olsalazine is a prodrug of ." . "Bilastine is a non-sedating histamine H1 receptor antagonist/inverse agonist . A repurposing screen of small molecule drugs discovered that bilastine inhibits SARS-CoV-2 Mpro activity by around 20% (see CHEMBL4495564)." . "AZ5104 is the demethylated metabolite of the EGFR inhibitor drug . It exhibits inhibitory activity against a number of clinically relevant oncogenic EGFR mutants ." . "FP-1039 (GSK3052230) is a fusion protein that comprises the extracellular domain of FGF receptor 1c (FGFR1c; to act as a trap for FGF ligands) fused with the Fc region of IgG1. The full peptide sequence is not disclosed in the primary citation . FP-1039 is an oncology lead candidate ." . "Anagliptin (SkK-0403) is a dipeptidyl peptidase-4 (DPP4) inhibitor ." . "Retifanlimab (MGA012) is a clinical stage humanized IgG4 anti-PD-1 monoclonal antibody. It was developed by MacroGenics for anti-cancer potential. Retifanlimab blocks the interation between PD-1 and its ligands PD-L1/2, and it acts as an immune checkpoint inhibitor." . "Avoralstat (BCX-4161) is a small molecule, oral plasma kallikrein (a serine protease that generates bradykinin from kininogen) inhibitor . Data pubished in 2021 indicate that avoralstat inhibits TMPRSS2 (a protease required for spike protein-mediated SARS-CoV-2 viral entry via ACE2) with comparable inhibitory activity to ." . "PCI-27483 is a small molecule inhibitor of activated factor VII (FVIIa). A complex of FVIIa and tissue factor are involved in promoting cell migration and angiogenesis and may contribute to tumour invasiveness via this mechanism. Inhibiting FVIIa is being investigated for anti-tumour potential ." . "Blarcamesine (Anavex2-73) is a Sigma-1 (σ1) protein agonist and muscarinic acetylcholine receptor modulator . Anavex are investigating it for potential to slow progression in neurodegenerative conditions including Parkinson's and Alzheimer's diseases, and Rett syndrome . Anticonvulsant, anti-amnesic, neuroprotective and antidepressant activities in response to blarcamesine have been identified in a number of animal models of neurodegenerative and neurodevelopmental conditions ." . "Balixafortide (POL6326) is an orally bioavailable cyclic peptide antagonist of the CXC chemokine receptor 4 (CXCR4). The CXCR4/SDF-1 axis regulates function and trafficking of immune cells. Balixafortid blocks interaction of the receptor with its ligand CXCL12 (SDF-1) . Disrupting the SDF-1/CXCR4 interaction is ubeing exploited for mobilisation and harvesting of peripheral blood HSCs for transplant procedures, and in cancer therapy for antimetastatic activity (by dislodging stem cells from the bone marrow).

The peptide structure is cyclo[L-alanyl-L-cysteinyl-L-seryl-L-alanyl-D-prolyl-(2S)-2,4-diaminobutanoyl-L-arginyl-L-tyrosyl-L-cysteinyl-L-tyrosyl-L-glutaminyl-L-lysyl-D-prolyl-L-prolyl-L-tyrosyl-L-histidyl](2-9)-disulfide (from the INN record for balixafortide)." . "Compound 17 is an -based PROTAC degrader of anaplastic lymphoma kinase (ALK) . The alectinib analogue is conjugated to through a linker, to deliver ALK protein for degradation via the ubiquitously expressed E3 ligase receptor cereblon. Compound 17 is one of the chemical structures claimed in ShanghaiTech University's patent WO2019114770A1 ." . "Compound 20c is a mucosa-associated lymphoid tissue lymphoma translocation protein 1 (MALT1) inhibitor . It was designed to provide antitumour efficacy against B cell lymphoma." . "Estetrol is a natural estrogen that is produced exclusively during pregnancy by the fetal liver. It is produced synthetically (from a plant source) for medicinal use. Estetrol has tissue selective actions , with estrogenic activity in the uterus, vagina and endometrium and estrogen antagonist activity in breast tissue." . "Evorpacept (ALX148) is a dimeric CD47-binding fusion protein that contains two copies of a modified SIRPα D1 domain fused to an inactive human IgG1 Fc domain . It blocks the CD47-SIRPα %22don't eat me%22 (anti-phagocytic) signal." . "Inbakicept is a fusion protein that links the Sushi domain of the IL15 receptor α subunit (amino acids 1-65 of the peptide sequence provided here) with a human IgG1 Fc domain (aa 81-190 Fc CH2 domain, aa 191-297 Fc CH3 domain). It is one of the protein components of the clinical stage IL-15 superagonist complex . It forms a dimeric structure that binds ." . "Inogapendekin alfa is recombinant human IL-15 with an amino acid substitution (Asn72Asp/N72D) that enhances its agonist activity at the IL-15Rβγc complex. IL-15N72D increases biological activity by 4-5-fold compared to the wild type cytokine. Inogapendekin alfa is synthesised in tandem with to generate the clinical stage IL-15 superagonist complex ." . "Compound 18 is the most potent of a SAR series of covalent inhibitors of NF-κB-inducing kinase (NIK; MAP3K14) . NIK is a key enzyme in the noncanonical NF-κB pathway. Compound 18 binds irreversibly to Cys444 within the back pocket of the kinase's active site." . "Compound 2a is an inhibitor of SARS-CoV-2 3CL protease (Mpro). It is an example from series generated from a structure-guided design study . Compound 2a also inhibits MERS-CoV Mpro." . "BMS-753426 is an orally bioavailable antagonist with activity at CC chemokine receptor 2 (CCR2) and CCR5 ." . "BMS-741672 is a selective antagonist of CC chemokine receptor 2 (CCR2) . It is ~700-fold selective for CCR2 vs. CCR5 in vitro." . "SD-91 is a selective PROTAC (proteolysis targeting chimaera) degrader of signal transducer and activator of transcription 3 (STAT3) . It induces significant and long-lasting tumour regression in vivo. It is one of the chemical structures that are claimed as STAT3 degraders in patent WO2020198435A1 from The Regents Of The University Of Michigan . SD-91 contains an inhibitor molecule that targets the STAT3 SH2 domain that is linked to a cereblon binding moiety that interacts with the cereblon/cullin 4A E3 ligase to promote proteosomal degradation." . "Compound 21 is an orally bioavailable tankyrase inhibitor that was designed for antitumour potential . It is active in vitro against cancer cell lines and in in vivo cancer models." . "Olokizumab (CDP 6038) is a clinical stage anti-IL-6 monoclonal antibody , that was designed for potential to treat autoimmune diseases. The antibody blocks assembly of the hexameric IL-6/IL-6 α-receptor/gp130 (IL6ST) complex that is required for signal transduction." . "Alofanib (RPT835) is an allosteric inhibitor of the receptor tyrosine kinase, fibroblast growth factor receptor 2 (FGFR2) . It inhibits phosphorylation of FGF receptor substrate 2α (FRS2α), but does not block FGF2-FGFR2 binding. Alofanib inhibits angiogenesis and was developed for antitumour potential." . "DX600 is a peptide inhibitor of angiotensin-converting enzyme 2 (ACE2) . It blocks the cardioprotective effect of ACE2, but does not inhibit ACE activity .
A gallium-68 labeled cyclic DX600 derivative can be used as an ACE2 radiotracer

SARS-CoV-2 and COVID-19: Experiments using lab-grown, human embryonic stem cell-derived beating cardiomyocytes have demonstrated that DX600 can prevent pseudotyped SARS-CoV-2 from entering the heart cells . This research indicates that agents that physically block spike-ACE2 binding could be leveraged as novel infection preventatives, that also offer the potential to reduce SARS-CoV-2-mediated damage to heart tissue." . "CPS4 is a small peptide that binds to ACE2 , and that is able to block interaction of the receptor binding domain (RBD) of both SARS-CoV and SARS-CoV-2 spike proteins with ACE2. In a Vero E6 cell assay CPS4 reduces SARS-CoV-2 infection." . "SI5α-b is a small (7 amino acids) peptide that binds to the receptor-binding domain (RBD; specifically residues Y453, Q498 and N501) of the SARS-CoV-2 spike protein and thereby blocks its interaction with angiotensin-converting enzyme 2 (ACE2) . It exhibits antiviral activity in vitro, in an assay of Vero E6 cell infection by the pangolin coronavirus virus GX_P2V." . "Melphalan flufenamide is a peptide-conjugated prodrug of the cytotoxic DNA alkylating drug . It is highly lipophilic and is rapidly transported into cells where it is quickly hydrolysed by aminopeptidases that are overexpressed by some cancer cells. Melphalan flufenamide is being evaluated as a treatment for multiple myeloma .
The IUPAC Condensed peptide sequence for melphalan flufenamide is H-Phe(Unk)-Phe(4-F)-OEt." . "Gumarontinib (SCC224) is an oral potent and highly selective c-MET inhibitor . It was developed for potential to treat MET-dependent tumours." . "This compound is a covalent inhibitor of SARS-CoV-2 3CL protease (Mpro) . It is stable in human and mouse plasma, and is not toxic against experimental cell lines (Vero E6 and A549 cells)." . "Barzolvolimab (CDX-0159) is a clinical stage humanized anti-KIT IgG1 monoclonal antibody that was developed by Celldex Therapeutics (as claimed in their patent US10781267B2) . CDX-0159 is a variant of CDX-0158 (a.k.a. KTN0158 ) that was re-engineered to improve its safety profile and increase its serum half-life. CDX-0158 was originally designed for potential to treat GIST and other KIT-dependent tumours. This original version of the antibody inhibits mutant and wild type KIT phosphorylation, reduces mast cell degranulation and mast cell numbers, and shrinks tumours in a preclinical canine model of spontaneous mast cell tumour development ." . "Epitinib (HMPL-813) is a selective EGFR tyrosine kinase inhibitor that is under investigation for potential to treat solid tumours in China. Epitinib appears to be a 'pseudo' INN. As of July 2021 there had been no submission to the WHO for the INN. The chemical structure is claimed in patent WO2010002845A2 ." . "Pegcantratinib (CT-327/SNA-120) is a clinical stage agent that inhibits the intracellular kinase domain of tropomyosin-related receptor kinase A (TrkA; NTRK1). TrkA is the high affinity receptor for nerve growth factor (NGF), and is a key target in pruritus, within the NGF-TrkA-TRPV1 pathway. As a TrkA inhibitor pegcantratinib is being evaluated as a potential topical treatment for inflammatory skin conditions. Chemically it is a 2kDa PEG derivative of that was originally developed by Sienna Biopharmaceuticals. PEG conjugation facilitates the delivery of high levels of the active ingredient to skin cells, and avoids the systemic side effects associated with an orally delivered version of the drug." . "Honokiol is a lignan that is produced by Magnolia trees that has been widely used in traditional medicine in East Asia. It has been described as having many pharmacological effects , with activities at a number of protein targets . Honokiol's anti-cancer potential has been extensively investigated ." . "CRV431 is a analogue in which the amino acids in the cyclosporin ring, which are responsible for immunosuppressive activity, have been modified . It acts as a pan-cyclophilin inhibitor , and it is being investigated for clinical efficacy in nonalcoholic steatohepatitis (NASH). Antiviral activity (likely by blocking important virus-host cyclophilin interactions) against hepatitis B and C viruses and HIV-1 has been reported ." . "Ropsacitinib (PF-06826647) is claimed as a tyrosine kinase 2 (TYK2) Inhibitor . However, its activity at clinically relevant concentrations to achieve TYK2 inhibition is suggestive of significant inhibition of at least JAK2, if not also of JAK1 . Ropsacitinib is an ATP-competitive inhibitor." . "LY 395756 is a small molecule that acts as an agonist of mGlu2 receptors and as an antagonist of mGlu3 receptors ." . "Compound 19 is one of two potential lead SARS-CoV-2 antivirals from the same discovery effort . Both compounds inhibit SARS-CoV-2 3CL protease (Mpro). is the other lead." . "Compound 21 is one of two potential lead SARS-CoV-2 antivirals from the same discovery effort . Both compounds inhibit SARS-CoV-2 3CL protease (Mpro). is the other lead." . "Ningetinib (CT053) is an oral small molecule multiple tyrosine kinase inhibitor. It inhibits c-Met, VEGFR2, Axl, Mer, RON and FLT3." . "TC-E 5005 is a potent and selective inhibitor of phosphodiesterase 10A (PDE10A) ." . "GLPG4716 (formerly OATD-01) is a first-in-class, orally bioavailable inhibitor of the chitinase enzymes chitinase 1 (chitotriosidase; CHIT1) and AMCase (chitinase acidic; CHIA) . Galapagos have in-licensed the rights to develop this compound from OncoArendi/Molecure. GLPG4716 was developed as a treatment for respiratory diseases, having demonstrated efficacy in in vivo models of asthma and pulmonary fibrosis, and sarcoidosis. In mid-2022 the Galapagos/Molecure partnership was terminated and all rights for OATD-01 were returned to Molecure." . "Vorolanib (CM082) is a potent and selective, oral clinical stage multi-kinase inhibitor. Targets include all VEGFR isoforms, PDGFR and CSF1R. . It is a structural derivative of . Vorolanib has anti-angiogenic activity, and is being investigated for anti-tumour effects and utility to treat ocular neovascularisation." . "Toceranib (PHA-291639 and formerly SU11654) is a small molecule, multi-targeted receptor tyrosine kinase inhibitor . It is structurally related to . Targets include VEGFRs, FGFR, PDGFRs, and Kit (including constitutively active mutant forms ). Like sunitinib, toceranib has antiangiogenic and anitproliferative actions. Palladiar® branded toceranib is used to treat solid tumours in dogs." . "Recilisib is a small molecule protein kinase inhibitor that modulates MAPK signalling via up-regulation of the PI3-kinase/AKT pathways . It was developed by Onconova Therapeutics for radioprotective action . Used experimentally as the sodium salt." . "Foslinanib (CVM-1118) is an orally bioavailable protein kinase inhibitor with antiangiogenic and antineoplastic activities ." . "PF-05180999 is a selective and brain-penetrant inhibitor of phosphodiesterase 2A (PDE2A) . Its intended clinical utility was to target cognitive impairment associated with schizophrenia." . "Piclamilast (RP-73401) is a potent and selective inhibitor of phosphodiesterase 4 (PDE4) ." . "Pirtobrutinib (LOXO-305) is a clinical stage, selective and reversible, oral Bruton' tyrosine kinase (BTK) inhibitor that was developed by LOXO oncology ." . "Famciclovir is an orally-delivered, prodrug of the antiviral agent penciclovir . The active metabolite, penciclovir triphosphate, has activity against Herpes viruses and varicella-zoster. Penciclovir triphosphate is a nucleoside analogue that inhibits viral DNA replication by interfering competitively with DNA polymerase." . "Compound 2i was originally reported as a tripeptide-type SARS-CoV 3CL protease inhibitor . It has subsequently been shown to inhibit SARS-CoV-2 3CL protease ." . "GC-373 is the parent of the dipeptide-based prodrug . The aldehyde drug and bisulphite adduct prodrug were originally reported as inhibitors of the 3CL protease (Mpro) of feline coronaviruses and caliciviruses . They also inhibit Mpro of both SARS-CoV and SARS-CoV-2, and inhibit SARS-CoV-2 replication in cell culture ." . "MG-115 was first reported as an irreversible proteasome inhibitor ." . "Compound 3 is an analogue of the SARS coronavirus (CoV) 3CL protease inhibitor ." . "Plonmarlimab (TJM2/TJ003234) is a humanized IgG1 monoclonal antibody that is designed to neutralise granulocyte-macrophage colony-stimulating factor (GM-CSF; CSF2) cytokine activity. It was developed by I-Mab Biopharma for potential to treat autoimmune diseases, and is likely to be Hu23F4-27 as claimed in I-Mab patent WO2018050111A1 .

COVID-19: Plonmarlimab is being evaluated as a mechanism to down-regulate elevated inflammation/cytokine release syndrome in patients with COVID-19 in a Phase 2/3 study." . "AMT-101 is an orally deliverable IL-10-cholix fusion protein . It combines the anti-inflammatory IL-10 with a nontoxic fragment of the cholix exotoxin from Vibrio cholerae. The exotoxin fragment facilitates delivery of the fusion protein selectively to the intestinal epithelium via transcytosis through intestinal enterocytes into the lamina propria, where it is intended to treat intestinal inflammatory diseases. IL-10 treatment is associated with dose limiting systemic toxicities including anemia and thrombocytopenia. AMT-101 was designed to overcome this limitation by restricting its IL-10 activity to within the GI tract." . "YH-53 is a peptidomimetic, covalent inhibitor of coronavirus 3CL protease (3CLpro, Mpro), with reported inhibition of Mpro from SARS-CoV and SARS-CoV-2 ." . "M4344 (VX-803) is a small molecule, ATP-competitive, selective and orally deliverable inhibitor of the DNA damage response pathway kinase, ataxia telangiectasia and rad3-related (ATR) . The chemical structure of M4344 matches that for gartisertib, which was surfaced in WHO Proposed list 125 in July 2021." . "Daridorexant (ACT-541468) is a dual orexin receptor antagonist . It was designed and developed for potential to treat insomnia ." . "We obtained the chemical structure for vepafestinib from WHO Proposed list 125 of July 2021. This mapped to PubChem CID 134164132. The structure was first submitted to PubChem as an extraction from a Taiho Pharmaceutical patent . Vepafestinib is claimed as a RET kinase inhibitor." . "Feladilimab (GSK3359609) is a humanized IgG4 anti-ICOS monoclonal antibody that was developed for immuno-oncology potential. It was withdrawn from development in mid-2021 following a failure to demonstrate efficacy in a Phase 2 trial in patients with non-small cell lung cancer.
Peptide sequence analysis suggests that feladilimab is derived from clone H2L5 hIgG4PE in GSK patent WO2016120789 . Feladilimab competes with for binding to ICOS." . "RB101 is an enkephalinase inhibitor, that is used as a biological tool . It is metabolically cleaved into two active components, each of which inhibits one of the zinc-metallopeptidase enkephalin-degrading enzymes, aminopeptidase N (APN; ANPEP) and neutral endopeptidase (neprilysin; official gene name membrane metalloendopeptidase MME) . Aminopeptidase N/neprilysin inhibition with RB101 induces an elevation in the levels of the two endogenous enkephalins and . Prodrugs with this mechanism of action are known collectively as Dual Enkephalinase Inhibitors, or DENKIs." . "RB120 is an orally active, dual inhibitor of the enkephalin-degrading enzymes neutral endopeptidase/aminopeptidase N . It is an analogue of , and is used as a biological tool. Prodrugs with this mechanism of action are known collectively as Dual Enkephalinase Inhibitors, or DENKIs." . "RB3007 is a systemically delivered, dual inhibitor of the enkephalin-degrading enzymes neutral endopeptidase/aminopeptidase N . It can be used as an in vivo biological tool. Aminopeptidase N/neprilysin inhibition with RB3007 induces an elevation in the levels of the two endogenous enkephalins and , Prodrugs with this mechanism of action are known collectively as Dual Enkephalinase Inhibitors, or DENKIs." . "Phosphoramidon is used as a biochemical tool for its inhibitory activity against metallo-endopeptidases, including neutral endopeptidase, endothelin-converting enzymes and angiotensin-converting enzyme ." . "Racecadotril (acetorphan) is an orally administered antidiarrheal drug. It is a prodrug that is hydrolysed to its active metabolite thiorphan (an enkephalinase inhibitor)." . "CCF981 is a potent noncovalent inhibitor of the 3CL proteinase (Mpro) of SARS-CoV-2 . It was designed on the scaffold of using structure-based optimization. Unsurprisingly CCF981 also inhibits SARS-CoV Mpro." . "CC-90005 is reported as a selective protein kinase C theta (PCKθ) inhibitor . It was developed by Celgene for potential to inhibit TCR-mediated T cell activation, proliferation, and cytokine production, as an anti-inflammatory modality for the treatment of T cell-driven autoimmune diseases . CC-90005 induces T cell anergy. It is >550-fold selective for PCKθ compared to PCKδ." . "Compound 38k is a potent inhibitor of vascular endothelial growth factor receptor 3 (VEGFR3) . It is proposed as a novel therapeutic agent for the treatment of metastatic breast cancer. Compound 38k suppresses the VEGFR3 signalling pathway, bringing about apoptosis in target cells." . "This compound (3i) is a TANK-binding kinase 1 (TBK1) PROTAC degrader . The TBK1 inhibitor portion of the molecule binds the kinase and the Von Hippel-Lindau (VHL) binding portion of the molecule recruits an E3 ubiquitin ligase to the bound kinase and this leads to proteasomal degradation of the kinase protein. This PROTAC was used to evaluate TBK1 as a target in mutant KRAS cancer cells. 3i does not promote degradation of closely related IKKε which has 65% sequence homology with TBK1." . "We obtained the chemical structure for sunvozertinib from WHO Proposed list 125, in which it is described as a tyrosine kinase inhibitor with proposed antineoplastic action. This mapped to PubChem CID 139377809. Sunvozertinib is one of the compounds that are claimed in Dizal (Jiangsu) Pharmaceutical's patent WO2019149164A1 as ERBB/BTK inhibitors ." . "CP-10 is a selective CDK6 degrading PROTAC . It is a bifunctional molecule that combines the CDK4/6 inhibitor , with the cereblon ligand . The pomalidomide moiety recruits E3 ubiquitin ligase machinery to the palbociclib-bound kinase protein, which leads to proteasomal degradation of CDK6. Selectivity of CP-10 appears to be cell line dependent, so CDK4 levels should be monitored to detect off-target activity, given palbociclib's selectivity profile for CDK6 and CDK4. CP-10 degrades mutant forms of CDK6 (e.g. CDK6D163G) as efficiently as it degrades wild-type kinase protein, and it induces degradation of CDK6 and CDK4 and inhibits the proliferation in palbociclib resistant cell lines." . "MLI-2 is an orally available and selective leucine-rich repeat kinase 2 (LRRK2) inhibitor . Activating mutations in LRRK2 (e.g. G2019S) are associated with an increased risk for the development of Parkinson's disease. Selective, brain-penetrant LRRK2 inhibitors are of clinical interest as a novel approach to treat Parkinson's disease. MLI-2 reduces brain LRRK2 kinase activity in vivo (determined by measuring phosphoS935 LRRK2) ." . "CFI-402257 is an orally bioavailable, and somewhat selective type 1.5 inhibitor of threonine tyrosine kinase (TTK) . TTK inhibitors are under investigation as anticancer agents. CFI-402257 induces chromosome missegregation and aneuploidy which lead to cell death. We matched CFI-402257's chemical structure to the INN 'luvixasertib' that was released in the WHO's proposed INN list 127 (21 July 2022)." . "XMD-12 is a pan-Aurora kinase inhibitor . It is active in cell assays, but activity in vivo has not been demonstrated. It should be used in conjunction with other Aurora kinase inhibitors (e.g. , ) to validate on-target effects." . "Atuzabrutinib is a Bruton's tyrosine kinase inhibitor. The chemical structure was obtained from WHO Proposed list 125. Atuzabrutinib's structure matches example 125A as claimed in Principia Biopharma's patent US9090621B2 ." . "The chemical structure for elunonavir was obtained from WHO Proposed list 125. The IUPAC>SMILES conversion maps to PubChem CID 135301900. Via SureChEMBL we can trace this compound to a Gilead Sciences patent that claims antiviral compounds for the treatment of HIV . From the patent it would appear that elunonavir is an HIV protease inhibitor." . "This chemical structure was obtained from WHO Proposed list 125. It is recorded as a tyrosine kinase inhibitor with potential antineoplastic activity. As of August 2021, it appears to be an undisclosed agent, with no definitive molecular target, no presence in online chemistry resources, and the term 'gemnelatinib' does not retrieve any hits from a web search." . "The chemical structure for gunagratinib was obtained from WHO Proposed list 125. It mapped to PubChem CID 138734912, and from a web search it was identified as ICP-192, which is an irreversible pan-FGFR (fibroblast growth factor receptors) inhibitor that was developed by InnoCare Pharma for antitumuor potential (especially for tumours with FGF/FGFR gene aberrations). When we generated this ligand entry in August 2021, there was no published/peer reviewed report of ICP-192's pharmacology or biological activity. Phase 1 results were reported in a meeting abstract from the 2021 annual meeting of the American Society of Clinical Oncology DOI: 10.1200/JCO.2021.39.15_suppl.4092." . "The chemical structure for ilunocitinib was obtained from WHO Proposed list 125. This mapped to PubChem CID 44231134. Ilunocitinib appears to be an oral JAK inhibitor that is intended for veterinary use, and which is being developed by Elanco Animal Health as a therapeutic for inflammatory skin conditions." . "We obtained the chemical structure for luxeptinib from WHO Proposed list 125. This mapped to PubChem CID 118480924. Luxeptinib (CG-806) is a clinical stage, oral small molecule non-covalent pan-BTK/pan-FLT3 inhibitor. The name>structure association has not been formally disclosed, but the structure is claimed in CrystalGenomics' patent US9758508B2 ." . "Timtraxanib (AVI-3207) is an angiogenesis inhibitor . Structurally it is modified tetrapeptide that acts as a selective VEGF receptor-2 (VEGFR-2) inhibitor . The N terminal acylation improves the peptide's stability against serum peptidase degradation . Functionally, timtraxanib blocks VEGFR-2-mediated neovascularization, whilst sparing the function of VEGFR-1. Intravitreal administration of timtraxanib reduces neovascularization in animal models of age-related macular degeneration." . "Tizaterkib (AZD0364) is a potent, selective and reversible type 1 ERK1/2 inhibitor ." . "We obtained the chemical structure for tunlametinib from WHO Proposed list 125 (July 2021). This mapped to PubChem CID 71621329. The chemical structure is claimed in Tianjin Binjiang Pharma's patent WO2013107283A1 for activity as a MEK inhibitor with potential to treat cancers and inflammation ." . "We obtained the chemical structure for tuxobertinib from WHO Proposed list 125. This mapped to PubChem CID 154824631. Tuxobertinib (BDTX-189) is an irreversible, orally active, ATP-competitive EGFR/HER2 inhibitor. It is being developed by Black Diamond Therapeutics as a therapy for cancers that are driven by oncogenic allosteric, activating mutations of the EGFR and ErbB2 (HER2). It was designed to minimize EGFR-WT mediated toxicities. Tuxobertinib is one of the examples claimed in patent US11034672B1 ." . "We obtained the chemical structure for vebreltinib from WHO Proposed list 125 of July 2021. This mapped to PubChem CID 72202701. Synonyms for vebreltinib (from PubChem) include APL-101 and PLB-1001 . Vebreltinib is an oral, ATP-competitive MET kinase inhibitor that is active against MET-altered tumour cells in preclinical models. It can cross the blood-brain barrier." . "We obtained the chemical structure for zapnometinib from WHO Proposed list 125 of July 2021. This mapped to PubChem CID 10112191, and via ChEMBL to the MEK serine/threonine protein kinases inhibitor PD-0184264 . is an oral MEK inhibitor that targets the Raf/MEK/ERK signalling pathway. This pathway is exploited (activated) by several species of RNA viruses (e.g. influenza viruses, hantaviruses, respiratory syncytial viruses and coronaviruses) for their successful replication. Blocking the host Raf/MEK/ERK signalling pathway inhibits formation of fully-formed virus particles in infected cells, and reduces viral load. At the same time, inhibiting MEK provides potential to modulate the immune response induced during infection. In COVID-19 zapnometinib is predicted to reduce expression of pro-inflammatory cytokines and/or chemokines (e.g. TNF-α, IL-1β, CXCL10/IP-10, CXCL8/IL-8, CCL2/MCP-1 and CCL3/MIP-1α) that drive the destructive hyperinflammation in patients with severe disease." . "We obtained the chemical structure for ziftomenib from WHO Proposed list 125 of July 2021. This mapped to PubChem CID 138497449, and to the small molecule KO-539 (Kura Oncology). KO-539 is an orally bioavailable, clinical stage agent that was designed to disrupt the protein-protein interaction between tumour suppressor menin (MEN1, O00255) and MLL oncoproteins (re-arranged lysine (K)-specific methyltransferases) as a mechanism to treat acute myeloid leukemia (AML) . The menin-MLL interaction is an essential upregulator of the expression of genes such as HOXA9 and MEIS1 that are involved in the development of AML. Blocking the menin-MLL interaction is predicted to induce terminal differentiation of AML blasts by reducing transcription of the HOXA9 and MEIS1 AML promoters. KO-539 binds to menin ." . "We obtained the chemical structure for zunsemetinib from WHO Proposed list 125 of July 2021. This mapped to PubChem CID 86291496. The compound is claimed in Confluence Life Sciences' patent US9115089B2 as kinase inhibitor with potential to treat p38 kinase-mediated diseases . Confluence Life Sciences is a subsidiary of Aclaris Therapeutics. We speculate that zunsemetinib is the MAPK-activated protein kinase 2 (MK2) inhibitor ATI-450 (formerly CDD-450 ), that is included on Aclaris' pipeline page. Phase 1 safety and tolerability of ATI-450 were reported in June 2021 . This article described ATI-450 as an inhibitor of p38α/MK2 pathway-mediated inflammatory signalling, but discloses only a partial chemical structure in a supplementary figure. The same incomplete chemical structure appears in . ATI-450 binds with high affinity to the interface of the p38MAPK-MK2 complex and selectively inhibits p38MAPK-catalysed phosphorylation of MK2 which stabilises the inactive conformation of MK2, and subsequently reduces inflammatory cytokine levels ." . "We obtained the chemical structure for zenuzolac from WHO Proposed list 125 of July 2021, in which it is described as an anti-inflammatory. The INN represents the racemic (rac) mixture of (R) and (S) enantiomers. We show the molecule without specified stereochemistry to represent the mixture. We have mapped this to PubChem CID 10798271. Synonyms from the PubChem entry associate the structure with research code VGX-1027 (VGX Pharmaceuticals). VGX-1027 is an immunomodulatory compound that downregulates proinflammatory cytokine production and NF-κB and MAP kinase activation .

COVID-19: Zenuzolac (re-named as GLS-1027) is being evaluated to determine its potential to reduce SARS-CoV-2-induced pulmonary inflammation (pneumonitis)." . "We obtained the chemical structure for evixapodlin from WHO Proposed list 125 of July 2021. The INN record describes it as a programmed cell death ligand 1 (PD-L1) inhibitor. Evixapodlin is one of the chemical structures that is claimed in Gilead Sciences' patent WO2019160882A1 (compound number 139) . It was developed as an alternative to monocloncal antibody PD-L1/PD-1 interaction inhibitors, for potential anticancer and antiviral activities. First disclosures at the ACS meeting in Chicago in 2022 mapped evixapodlin to Gilead's clinical lead GS-4224. GS-4224 is orally bioavailable." . "TAK-041 is a clinical stage, orally active GPR139 agonist ." . "VIP152 is a clinical stage CDK9 inhibitor . Once weekly i.v. administration is effective in rodent xenograft models, without negative safety or tolerability issues. We were able to match the chemical structure of VIP152 to the INN enitociclib that was included in the WHO proposed INN list 126 (Jan 2022)." . "Atuveciclib (BAY 1143572) is an orally active, selective CDK9 inhibitor . It was the first inhibitor of its class to enter clinical development. The potency of atuveciclib is diminished at physiological ATP concentration compared to at the low ATP concentrations used in in vitro assays, Therefore, it was used as the starting point for the development of a more optimised inhibitor ." . "BMS-911172 is a small molecule, brain-penetrant inhibitor of AP2 associated kinase 1 (AAK1) . It was designed by Bristol Myers Squibb as a tool to validate AAK1 as a molecular target for the treatment of neuropathic pain. BMS-911172 was effictive in rat models of persistent and neuropathic pain." . "Compound 10 is an analogue of , that was designed to deliver a gut-restricted, selective COX-2 inhibitor for potential chemoprevention of colorectal cancer. Unfortunately, residual systemic COX-2 inhibition appeared to account for the in vivo inhibition of adenoma progression and increased survival in a rodent model of COX-2-mediated colorectal cancer." . "Adaptavir (DAPTA; RAP101) is a potent and selective CCR5 antagonist . It acts as an HIV entry inhibitor." . "PF-514273 has activity as a cannabinoid 1 (CB1) receptor antagonist ." . "SRI22141 is a dual μ/δ opioid receptor agonist . It was designed as a tool to determine if dual μ/δ agonism could offer a therapeutic option for neuropathic pain, with reduced side effects (re. tolerance and addiction liabilities) compared to traditional μ agonists." . "HTL6641 is a small molecule dual orexin receptor antagonist (DORA) . This class of compounds includes the approved insomnia drugs and ." . "XYT528B is a betulinic acid-derived G protein-coupled bile acid receptor 1 (GPBAR1, a.k.a. TGR5) agonist . It exhibits species difference with respect to GPBAR1 activation, with nM potency at the human and canine receptors, but lower μM potency at the mouse receptor. XYT528B has almost no activity in in vivo mouse models." . "Compound 11d is a betulinic acid-derived G protein-coupled bile acid receptor 1 (GPBAR1, a.k.a. TGR5) agonist . It was used experimentally as 11d-sodium to increase its solubility. 11d is inactive at FXR, which indicates good selectivity toward GPBAR1. In vivo, 11d produced very limited glucose-lowering effects (determined using the oral glucose tolerance test) in wild-type mice, but did induce the desired glucose-lowering effect in mice expressing a receptor with a humanising amino acid substitution (mTGR5H88Y)." . "We obtained the chemical structure for obefazimod from WHO Proposed list 125 of July 2021. This mapped to PubChem CID 49846599, with the association to ABX464, a first-in-class, clinical-stage, oral small molecule immunomodulator . ABX464 was originally developed for antiviral potential (associated via ChEMBL to the Medicines for Malaria Venture (MMV) compound MMV1581032), but was redeployed for chronic inflammatory diseases because of its potent anti-inflammatory effects in preclinical testing. ABX464 is reported to bind to the RNA cap-binding complex, which modulates both viral and cellular RNA biogenesis ." . "We obtained the chemical structure for amdizalisib from WHO Proposed list 125 of July 2021. This mapped to PubChem CID 118981804. Amdizalisib is one of the PI3Kδ/γ inhibitors in , and it is also claimed in Hutchison Medipharma's patent WO2016045591A1 . Hutchison Medipharma's pipeline page lists one PI3Kδ lead agent, HMPL-689, but the name>structure has not been formally disclosed, so is speculative and made in good faith." . "TCN-213 is a GluN2A-selective, glycine-dependent NMDA receptor allosteric inhibitor ." . "UAWJ9-36-3 is a broad-spectrum coronavirus main protease (Mpro) inhibitor . It was developed by analysing the overlapping binding conformations of the peptidomimetic viral serine protease inhibitors , , and within the Mpro from SARS-CoV-2." . "CDD-1976 is a small molecule, reversible covalent inhibitor of the main protease (Mpro, or 3CL pro) of SARS-CoV-2 . It has been optimised for target selectivity and metabolic stability." . "L-45 is a triazolopthalazine-based p300/CBP-associated factor (PCAF) inhibitor .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "MMV688533 is the optimized lead from the acylguanidine series of antimalarial compounds . The compound has progressed to clinical evaluation and was awarded MMV Project of the Year (2017).

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "Fomepizole is an alcohol dehydrogenase inhibitor." . "Compound 6c is an A3 adenosine receptor agonist ." . "This is the (R) enantiomer of the neuropeptide S receptor 1 (NPSR1) antagonist . It was identified as being the more active isomer . SHA 68R has been used to validate NPSR1 as a nonhormonal endometriosis therapeutic target." . "This is the parent molecule of maralixibat chloride as described in the INN. Maralixibat (LUM001) is a clinical stage, orally administered ileal bile acid transporter (IBAT; SLC10A2) inhibitor . It was developed for therapeutic potential to treat cholestatic pruritus." . "Asundexian (BAY 2433334) is a small molecule, orally administered coagulation factor XIa inhibitor. It was developed as a novel anti-thrombotic." . "AZD0284 is an orally bioavailable inverse agonist of retinoic acid receptor-related orphan receptor C2 (NR1F3; RORγt) . It is proposed for anti-inflammatory potential, principally as a treatment for psoriasis." . "Z-AVLD-FMK is a fluoromethylketone (FMK) modified 4 amino acid peptide, that has subnanomolar potency against SARS-CoV-2 3CL-like protease (Mpro) . It is a peptidomimetic of the Mpro substrate sequence within the viral polyprotein." . "This is a small molecule inhibitor of β-secretase enzymes that is used as a standard tool in biological experiments ." . "AZD7624 is a p38α MAPK inhibitor . It was designed as an inhalable agent to provide local anti-inflammatory action in inflammatory lung conditions ." . "JDQ443 is a clinical stage, covalent KRASG12C inhibitor that is being developed by Novartis for anti-tumour potential. We obtained this structure from a list compiled by DrugHunter of first time disclosures made at the 2021 XXVI EFMC International Symposium on Medicinal Chemistry (EFMC-ISMC). This chemical structure was submitted to PubChem by SureChEMBL in August 2021, and is likely to have originated from a patent extraction. The compound's discovery was published in June 2022 . JDQ443 binds to GDP-bound KRASG12C and traps it in an inactive conformation ." . "This is a Janus kinase 1 (JAK1) inhibitor whose chemical structure was claimed in example 35 in Astrazeneca's patent WO2018134213A1 . A first time disclosure made at the 2021 XXVI EFMC International Symposium on Medicinal Chemistry (EFMC-ISMC) provided the AZD4604 name-to-structure association. AZD4604 is delivered by inhalation, and is proposed for anti-inflammatory action as an asthma therapy." . "We obtained this structure from a list compiled by DrugHunter of first time disclosures made at the 2021 XXVI EFMC International Symposium on Medicinal Chemistry (EFMC-ISMC). The structure mapped to a PubChem entry that was submitted by SureChEMBL in 2017 as an extraction from Bohringer Ingelhiem's patent WO2017028927A1 . The EFMC-ISMC discosure provided the BI1265162 name-to-structure association. BI1265162 was developed as an inhibitor of the endothelial sodium channel (ENaC), whose excessive activity in cystic fibrosis contributes to the production of hyperconcentrated mucus . It is described as a 'direct inhibitor' of ENaC in a review by Mall (2020) ." . "This vanin 1 inhibitor was claimed (as Example 1) in Pfizer's patent WO2016193844A1 , and the structure was disclosed in a peer reviewed publication in 2021 . Blocking the pantetheinase activity of vanin 1 did not provide the hypothesised protective effect in models of acute and chronic kidney disease." . "Tisotumab vedotin is an antibody-drug conjugate (ADC) of an anti-factor 3 monoclonal antibody that is conjugated to the antineoplastic agent monomethyl auristatin E (MMAE; PubChem CID 11542188) . Tisotumab vedotin causes adverse events that are associated with disrupted coagulation ." . "This is the S enantiomer of the analogue deschloroketamine (DCK). The pharmacodynamics and pharmacokinetics of S-DCK (in rats) in comparision to ketamine were reported by Štefková-Mazochová et al. (2021) . In summary, S-DCK exhibits similar behavioural, addictive and PK profiles as ketamine, but it has a longer duration of action." . "FGF21 is a mitogen that is involved in the migration and differentiation of cells that are of mesodermal or neuroectodermal origin, and in metabolic regulation . Klotho beta (KLB) appears to be required for FGF21's metabolic activity . The peptide sequence provided here includes the signal peptide (MDSDETGFEHSGLWVSVLAGLLLGACQA)." . "DT2216 is a clinical stage PROTAC type protein degarder. It targets the BCL-XL protein (an anti-apoptotic protein that is overexpressed by some cancers) for degradation via the Von Hippel-Lindau (VHL) E3 ligase, and was developed for potential antitumour activity . In vivo (in mice), The target protein binding moiety is based on the BCL-XL protein antagonist (ABT-263) . Since VHL is poorly expressed in platelets, DT2216 is significantly less toxic to platelets than parental navitoclax." . "BRD7929 is an advanced analogue from a bicyclic azetidine series of antimalarial compounds .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "MG-277 is a molecular glue type protein degrader . It is a structurally modified analogue of MD-222 which is a MDM2 PROTAC degrader. The cereblon-binding moiety MG-277 is required for its growth inhibitory effects on cancer cells. MG-277 achieves its potent anticancer activity by inducing degradation of the translation termination factor GSPT1 (a.k.a. eRF3a; GSPT1; P15170), and this is independent of MDM2." . "MD-222 is a proteolysis targeting chimera (PROTAC) agent that induces degradation of the human murine double minute 2 (MDM2) protein . MDM2 is a crucial cellular inhibitor of the tumour suppressor p53, and is an oncology drug target. MD-222 simultaneously binds to MDM2 and cereblon, bringing the target protein into the proximity of the ubiquitination zone of the E3 ligase." . "Compound 20 is a PROTAC that targets receptor-interacting serine/threonine protein kinase 2 (RIPK2) for degradation . It promotes RIPK2 degradation by promoting the formation of a ternary complex between an E3 ligase (in this case an inhibitor of apoptosis (IAP) E3 ligase) and the target protein. Compound 20 inhibits TNFα release which is indicative of inhibition of RIPK2-induced transcriptional activation of inflammatory cytokine genes." . "ASTX029 is an orally bioavailable, clinical stage inhibitor of ERK1/2 kinases . It was designed to inhibit the mitogen-activated protein kinase pathway in cancer cells. ASTX029 suppresses both ERK phosphorylation and enzymatic activity ." . "BMS-986318 is a nonbile acid farnesoid X receptor (FXR) agonist that was developed as a potential therapeutic for nonalcoholic steatohepatitis ." . "MK-8262 is a small molecule that inhibits cholesterylester transfer protein (CETP; P11597) . It was developed as a best-in-class back-up clinical candidate to , but like anacetrapib its development was discontinued. CETP was considered as a target for prevention of dyslipidemia and reducing cardiovascular mortality, with CETP inhibitors proposed as a direct route to raise HDL.
Clinical trial results for a number of CETP inhibitors have failed to show clinical benefit. Failed candidates in addition to this one, include , anacetrapib, torcetrapib, and dalcetrapib ." . "TAK-020 is a covalent Bruton's tyrosine kinase (BTK) inhibitor . The compound bonds to Cys481 in BTK's ATP binding site. It was designed for potential to treat haematologic malignancies and/or autoimmune diseases." . "ZN-c3 is a potent inhibitor of WEE1 G2 checkpoint kinase (WEE1) that was developed for anti-cancer potential . Inhibition of Wee1 in cancer cells that rely on G2/M checkpoint regulation for survival, disrupts G2/M cell cycle arrest which leads to premature entry into mitosis, replication stress and ultimately cell death. The chemical structure of ZN-c3 matches that for the INN 'azenosertib' which was published in the WHO's proposed INN list 127 on 21 July 2022." . "BAY-8400 is a potent inhibitor of DNA-dependent protein kinase (DNA-PK) . DNA-PK is required for DNA repair via non-homologous end joining, and is a cancer drug target." . "Compound 4f is a potent and reversible monoacylglycerol lipase (MAGL) inhibitor . In the brain, MAGL is the primary enzyme that degrades the endocannabinoid 2-arachidonoylglycerol (2-AG) to arachidonic acid (AA) and glycerol. Inhibition of MAGL (to increase 2-AG and reduce AA) is being investigated for therapeutic potential in a range of neuroinflammatory type diseases. Compound 4f is useful because it is reversible, it can cross the blood-brain barrier, and it induces the expected pharmacodynamic effects in in vivo models." . "NBI-921352 is reported as a NaV1.6 (SCN8A) selective sodium channel inhibitor that is proposed for antiepileptic activity . It is a clinical candidate for the treatment of patients with SCN8A developmental and epileptic encephalopathy syndrome (SCN8A-DEE). NBI-921352 was originally developed by Xenon Pharmaceuticals (and known as XEN901) and is now being progressed by Neurocrine Biosciences." . "Compound 18n is a chemical tool that is suitable for exploring the function of monocarboxylate transporter 4 (MCT4: SLC16A3) . MCT4 and its role in lactate modulation is under investigation as a potential mechanistic approach as a novel cancer therapy. Compound 18n is active in vitro and induces the expected pharmacodynamic effects (lactate modulation and antitumour activity) in an in vivo model." . "Temocapril (CS-622) is an angiotensin converting enzyme (ACE) inhibitor prodrug ." . "Temocaprilat is the active metabolite of temocapril (the approved drug) . It is a competitive inhibitor of angiotensin-converting enzyme (ACE), and it has antihypertensive activity." . "Mirodenafil (SK-3530) is a selective, oral phosphodiesterase type 5 (PDE5). PDE5 inhibitors are the most widely used drugs to treat erectile dysfunction ." . "Manidipine (CV-4093) is dihydropyridine calcium channel blocker." . "Lacidipine (GR-43659X) is dihydropyridine calcium channel blocker. It has a slow onset of activity and a long duration of action." . "Biricodar (VX-710) acts as an inhibitor of the ABCB1 and ABCC1 transporters (a.k.a. P-glycoprotein and multidrug resistance protein 1 respectively) . It restores sensitivity to chemotherapeutic agents in cancer cells that use these efflux pumps to induce drug resistance. Biricodar was developed as an adjunct to chemotherapeutic drugs, for potential in cancer therapy, but it was never apporved for clinical use." . "Bifemelane acts as a monoamine oxidase inhibitor , with inhibitory activity against both MAO-A (competitive) and MAO-B (noncompetitive). It has nootropic, neuroprotective, and antidepressant effects in vivo." . "SU5402 is an inhibitor of the enzymatic activity of receptor tyrosine kinases, including kinase insert domain receptor (VEGFR-2), fibroblast growth factor receptor 1 (FGFR1) and platelet derived growth factor receptor beta (PDGFRβ) ." . "Aranidipine (MPC-1304) is a long-acting, dihydropyridine-type Ca2+ channel blocker that produces an hypotensive effect in vivo . Activation of K+ channels may also be involved in aranidipine-induced vasodilation, as identified in a rat model . We show the compound with no specified stereochemistry to represent the racemic mixture of enantiomers. It has been reported that the (S) enantiomer of aranidipine is responsible for most of the pharmacological activity of the racemate ." . "Compound 6 is a selective beta-secretase 1 (BACE1) inhibitor . Orally administered compound 6 reduced Aβ by ~50% in mouse brain 2 h after dosing." . "Valspodar is a cyclosporin analogue. It inhibits the multidrug resistance efflux pump/transporter, p-glycoprotein (ABCB1) and via this mechanism can reverse cancer cell resistance to chemotherapeutics in cancers that overexpress ABCB1 . Valspodar does not induce the immunosuppressive effects of cyclosporin A." . "AS-0141 is an oral and selective CDC7 kinase inhibitor, that was developed for potential to treat cancer ." . "BPR1R024 is an orally active inhibitor of colony stimulating factor 1 receptor (CSF1R) tyrosine kinase activity . It was developed for immunomodulatory antitumour potential." . "Baloxavir marboxil is an orally delivered anti-influenza virus drug. It is a prodrug that is converted to baloxavir . Mechanistically baloxavir is a first-in-class inhibitor of the cap-endonuclease (CEN) activity of an acidic protein within the viral polymerase complex that is essential for viral gene transcription and replication. Alternative influenza antivirals (e.g. , peramivir and zanamivir) target the neuraminidase enzyme that is required for fusion and entry of virus into the host cells, and the budding process that releases newly synthesised virions." . "Onametostat (JNJ-64619178) is a small molecule inhibitor of protein arginine methyltransferase 5 (PRMT5) . It was developed for anti-tumour potential. Onametostat occupies the S-adenosylmethionine and substrate pockets of PRMT5 and traps the enzyme (in complex with its cofactor MEP50; WDR77) in a catalytically inactive conformation. The compound has a very slow off-rate." . "GSK3685032 is a first-in-class, non-nucleoside, reversible inhibitor of the epigenetic target DNA-methyltransferase 1 (DNMT1), that was identified from >1.8 million small molecules using a high-throughput enzymatic activity assay . It was developed for potential to treat haematological cancers. GSK3685032 is selective for DNMT1 and does not affect the activities of DNMT3A or DNMT3B. This means that it is less toxic to normal blood cells than less selective hypomethylating agents such as . GSK3685032 is active in vitro and in vivo, promoting loss of DNA methylation, and inhibiting transcriptional activation and cancer cell growth." . "JNJ-67569762 is a selective beta-secretase 1 (BACE1) inhibitor . The compound delivered the predicted pharmacodynamic effect (reducing amyloid β) in vivo, but was also found to produce a prolonged QTc signal in dogs, despite exhibiting minimal in vitro activity vs. hERG. The unexpected effect on QTc precluded JNJ-67569762 from clinical development." . "FRM-024 is a CNS-penetrating γ secretase modulator that was developed for its capacity to improve amyloid processing and potential as an Alzheimer's disease therapeutic . Gamma secretase modulators reduce the levels of the toxic longer amyloid β (Aβ) chains (Aβ42, Aβ43) that accummulate in Alzheimer's brains. They do not alter total Aβ levels. In particular, such modulators may afford potential for clinical intervention in patients with inherited loss-of-function mutations in presenilin genes which increase production of the toxic forms of Aβ." . "ETX0462 is a diazabicyclooctane molecule that represents a new class of antibacterial. It is a β-lactamase inhibitor that also acts as a single agent antibacterial through its capacity to inhibit penicillin-binding proteins . It has a broad-spectrum of activity (in vitro and in vivo) against Gram-negative bacteria including virulent and antibacterial resistant ESKAPE pathogens (Enterococcus faecium, Staphylococcus aureus, Klebsiella pneumoniae, Acinetobacter baumannii, Pseudomonas aeruginosa, and Enterobacter species), Stenotrophomonas maltophilia and bacterial agents that might be used as biological weapons. Further optimisation of ETX0462 is required to improve its permeability across bacterial outer membranes and increase its biochemical potency.
The crystal structure of ETX0462 bound to P. aeruginosa penicillin binding protein 3 (PBP3) has been resolved at a resolution of 2.2 Å (PDB ID: 7JWL) ." . "MMV693183 is an optimized preclinical candidate from the pantothenamide class of antimalarial compounds ." . "Milvexian (BMS-986177) is a clinical stage, macrocyclic, oral anti-coagulant. Mechanistically it is a factor XIa inhibitor . Inhibiting factor XIa reduces thrombus formation without significantly altering hemostasis." . "ARD-2585 is a highly potent and orally bioavailable PROTAC androgen receptor (AR) degrader molecule . It was designed to reduce AR in metastatic castration-resistant prostate cancer (mCRPC), as an alternative mechanism to antagonising AR signaling with drugs such as and . Structurally ARD-2585 is a bifunctional molecule that contains an AR antagonist ligand linked to a cereblon binding component, that targets the AR to the cereblon/cullin 4A E3 ligase complex for degradation. It shares structural similarities to , which was the first AR PROTAC to advance to clinical evaluation in humans." . "Sivopixant (S-600918) is a clinical stage, oral P2X3 ion channel antagonist ." . "BMS-986158 is a clinical candidate inhibitor of bromodomain and extra-terminal (BET) domain-containing proteins . It was developed as a potential treatment for haematologic and solid tumours. Early pan-BET inhibitors include and (GSK525762), but some tumours are either inherently resistant to these inhibitors , or develop treatment-induced resistance . BMS-986158 was designed on a different chemical scaffold to combat resistance issues." . "Mupadolimab (CPI-006) is a humanised IgG1-κ anti-CD73 (Ecto-5'-Nucleotidase; NT5E) monoclonal antibody that was developed by Corvus Pharmaceuticals as an immunostimulant, originally for oncology use. It functionally inhibits production of immunosuppressive adenosine in the tumour microenvironment, plus binding to CD73 on B cells leads to their activation (including increased antibody production). Corvus had initiated clinical investigation of mupadolimab for potential benefit in COVID-19 patients, but their phase 3 study was terminated, and as of mid-October 2021 there is no mention of this approach on their pipeline webpage (link here)." . "Galegenimab is the INN that has been assigned to Genentech's anti-HTRA1 (HtrA serine peptidase 1) Fab antibody . The antibody and its use are claimed in patent WO2017075212A1 . HTRA1 is a serine protease whose substrates include transforming growth factor β , fibronectin, amyloid precursor protein and Dickkop-related protein 3 (DKK3) . Genetic polymorphisms in the HTRA1 gene are associated with an increased risk of developing neovascular age-related macular degeneration (and geographic atrophy) and with disease progression. Thus inhibition of HTRA1 proteolytic activity is being investigated for this ocular indication." . "Sirexatamab (DKN-01, formerly LY-2812176) is a humanised, IgG4-κ anti-DKK1 (dickkopf WNT signaling pathway inhibitor 1) monoclonal antibody that was developed by Leap Therapeutics for potential anti-cancer activity ." . "Anumigilimab (CSL-324) is a clinical stage monoclonal antibody that targets colony stimulating factor 3 receptor (CSF3R). It was developed by CSL Behring for potential efficacy in inflammatory/autoimmune diseases. The heavy and light chain peptide sequences for anumigilimab are claimed in patent WO2012171057A1 ." . "Livmoniplimab (ABBV-151, formerly ARGX-115 and MHG-8) is a chimeric, humanised IgG4-κ monoclonal antibody that targets LRRC32 (GARP)/transforming growth factor β1 (TGFβ1) complexes. It blocks LRRC32-mediated activation of latent TGFβ1, and was designed to block immunosuppressive Treg activity in tumours, as an immunooncology strategy." . "Sotevtamab (AB-16B5) is a humanized IgG2 antibody against secreted clusterin. It was developed by Alethia Biotherapeutics for anti-cancer potential. Peptide sequences of the heavy and light chains of the antibody are claimed in patent WO2011063523A1 , via which sotevtamab can be linked to the antibody designated as humanised 16B5. Sotevtamab is expected to inhibit clusterin-induced epithelial to mesenchymal transition, as a mechanism to both reduce tumour invasion and augment the response to standard of care chemotherapy." . "NT23 is a small molecule that can displace insulin from its binding site on the insulin receptor . It shows concentration-dependent binding to the receptor in vitro." . "MAT-POS-932d1078-3 is a novel, non-covalent SARS-CoV-2 Mpro (3CLpro) inhibitor that emerged from the COVID Moonshot Consortium's drug discovery campaign . It has good drug-like properties, including favourable metabolic stability and predicted oral bioavailability." . "XR8-23 is reported as a lead SARS-CoV-2 papain-like protease (PLpro) inhibitor ." . "XR8-24 is reported as a lead SARS-CoV-2 papain-like protease (PLpro) inhibitor ." . "Compound 7d is reported as a potent SARS-CoV-2 chymotrypsin-like protease (3CLpro; Mpro) inhibitor ." . "Gremlin 1 is a member of a family of proteins (the DAN family) that are peptide antagonists of TGF-β family bone morphogenetic proteins (BMP) including BMP2 and BMP4. DAN family members can also modulate Wnt and vascular endothelial growth factor (VEGF) signalling pathway activities. BMP/BMP antagonist interactions regulate developmental and normal cellular processes. In contrast, dysregulation of these interactions has been associated with pathological processes such as carcinogenesis and fibrosis. Gremlin 1 has emerged as a molecular target for the development of novel therapeutics for relevant conditions ." . "Ginisortamab (UCB6114) is a human IgG4κ monoclonal antibody that targets the endogenous BMP antagonist peptide . The heavy and light chain peptide sequences of ginisortamab are claimed in UCB Biopharma's patent WO2018115017A2 .The patent describes their antibodies as allosteric modulators, whose epitope is distal to the BMP binding site of gremlin 1." . "The INN eblasakimab refers to a fully human, IgG4κ monoclonal antibody whose target is interleukin-13 receptor subunit α1 (IL13RA1). Eblasakimab represents a first-in-class agent against IL13Rα1. Blocking IL13Rα1 function is predicted to inhibit signalling by the pro-inflammatory cytokines IL-4 and IL-13.

The peptide sequences for the heavy and light chains in eblasakimab's INN record are claimed in patent WO2008060813A2 (Merck and CSL Behring) , and these map to the antibody identified as 10G5-6 therein. Interrogation of CSL Behring's pipeline webpage suggests that eblasakimab may be their anti-IL13Rα1 lead candidate ASLAN004, that is being developed for the treatment of allergic disorders such as atopic dermatitis and asthma. As of October 2021 ASLAN004 was licensed to ASLAN Pharmaceuticals. Further online investigation indicates that ASLAN004 was formerly known as CSL 334. Other than the associated patent, there is no clearly identifiable published information to verify the eblasakimab-ASLAN004 association. Our prediction is made in good faith, based on information in the public realm." . "The INN record for ulenistamab identifies this as a hunamised monoclonal antibody directed against a protein called pancreatic adenocarcinoma up-regulated factor (PAUF). PAUF appears to be a product of the zymogen granule protein 16B gene ZG16B (UniProt accession Q96DA0), that is aberrantly expressed in some cancers , and which is involved in tumour development and metastasis . The peptide sequences of the heavy and light chains of ulenistamab are claimed in patent WO2019022281A1 ." . "Pabinafusp (JR-141) is a fusion protein of the Fab domains of an anti-transferrin receptor monoclonal and the enzyme iduronate 2-sulfatase (IDS; P22304) , an enzyme that is deficient in patients with the lysosomal storage disease mucopolysaccharidosis type II (MPS II; Hunter syndrome) . It is an intravenously administered enzyme replacement therapy. The anti-transferrin receptor component facilitates receptor-mediated movement of the fused enzyme across the blood-brain barrier ." . "Lepunafusp alfa (JR-171) is a blood-brain-barrier-penetrating form of recombinant human alpha-L-iduronidase (IDUA; P35475), an enzyme that is deficient in patients with the lysosomal storage disease mucopolysaccharidosis type I (MPS I; Hurler syndrome; Scheie syndrome) which leads to disrupted glycosaminoglycan catabolism . The enzyme is fused to the same anti-transferrin receptor antibody Fab as , to facilitate movement of the enzyme across the blood-brain barrier. Both lepunafusp and pabinafusp were developed using JCR Pharmaceuticals' proprietary J-Brain Cargo® technology ." . "Quisovalimab (AVTX-002) is a clinical stage, fully human IgG4 anti- (TNFSF14) monoclonal antibody. It was developed for anti-inflammatory potential . Quisovalimab binds to LIGHT and prevents it from interacting with its receptors on T cells .
As CERC-002, this agent was assessed for efficacy as a treament for COVID-19-related pneumonia and ARDS/acute lung injury, based on evidence of a pro-inflammatory effect of LIGHT on the interaction between T cells and airway smooth muscle cells ." . "Dalutrafusp alfa is a bispecific antibody-fusion protein that was designed as a checkpoint modulator for immuno-oncology. It was invented by Agenus (as AGEN-1423), and has been licensed to Gilead for clinical development (as GS-1423). The antibody portion of dalutrafusp targets the adenosine degrading enzyme ecto-5'-nucleotidase (NT5E/CD73; produces an immunosuppressive effect in the tumour micoenvironment), and this is fused via a peptidyl linker to the extracellular domain of transforming growth factor beta receptor 2 (TGFBR2) which acts as a molecular trap for both TGFβ1 and TGFβ3. NT5E and TGFβ are two significant resistance pathways that allow tumours to escape immune surveillance.
In the absence of a peer reviewed disclosure, analysis of patent documents suggests that dalutrafusp alfa may be closely related to the anti-CD73-TGF trap fusion protein BA037 that is claimed in Agenus' patent WO2019173692A2 . The CDRs in the sequences of the anti-NT5E/CD73 mAb region from the dalutrafusp alfa INN document match SEQ IDs presented in the patent." . "SIM1 is a first-in-class trivalent PROTAC molecule . It contains two bromo and extra terminal (BET) domain inhibitor ligand components and a von Hippel-Lindau (VHL) ligand domain which are tethered together by a branched linker. This approach increases the valency for target protein binding compared to earlier generation bivalent PROTAC molecules. SIM1 acts as a low picomolar BET degrader in vitro, and has favourable in vivo pharmacokinetics. BET inhibitors are being explored for anticancer activity." . "This is a bivalent proteolysis-targeting chimera (PROTAC) molecule that promotes the degradation of the BCL6 transcription repressor protein . It comprises a BCL6 binding domain linked to a thalidomide warhead that targets the bound BCL6 to the E3 ubiquitin ligase cereblon (CRBN), and on to ubiquitin-mediated proteosomal degradation. PROTAC 15 was developed by AstraZeneca for potential to treat lymphomas that are derived from germinal center B cells. Although PROTAC 15 leads to BCL6 degradation in vitro, the degradation is incomplete, and this produces only a weak antiproliferative effect on target diffuse large B-cell lymphoma (DLBCL) cells." . "AZ6102 is a small molecule inhibitor of the tankyrases TNKS1 and TNKS2 . Blocking tankyrase activity inhibits the Wnt signalling pathway via increased stabilisation of axin. AZ6102 was developed for potential anti-proliferative activity against certain cancers cells." . "AZD2906 is a nonsteroidal glucocorticoid receptor (GR) agonist . It was the structural starting point for the development of ." . "AZD4320 is a BH3 mimetic, dual inhibitor of Bcl2 and Bcl-xL . It induces apoptosis in haematological cancer cell lines and in some solid tumour cell types. A PEGylated/poly-lysine congugated version of AZD4320 (AZD0466) was designed to improve AZD4320's dose limiting cardiovascular toxicity (identified in preclinical species), and to optimise its physicochemical properties." . "AZD4573 is a potent inhibitor of cyclin dependent kinase 9 (CDK9), that was designed for potential to treat haematological malignancies . Inhibition of CDK9 disrupts the expression of cancer-promoting genes such as MCL-1, and induces apoptosis." . "AZD5991 is an oncology clinical lead. Structurally it is a BH3 mimetic that inhibits function of the MCL1 apoptosis regulator protein (Mcl-1) and induces apoptosis . AZD5991 was designed by AstraZeneca for potential to treat haematologic malignancies such as chronic lymphocytic leukemia and multiple myeloma." . "AZ14117230 is a proteolysis-targeting chimera (PROTAC) molecule that targets the embryonic ectoderm development (EED) protein for degradation by promoting ternary complex formation with the VHL E3 ubiquitin ligase . A second EED PROTAC (AZ14118579, compound 3) is also reported in the Hsu et al. article . EED is a subunit of the PRC2 complex (alongside EZH2 and SUZ12) that promotes tumourigenesis by driving aberrant hypermethylation of H3K27." . "This molecule is aproteolysis-targeting chimera (PROTAC) degrader of interleukin 1 receptor associated kinase 3 (IRAK3) . It promotes ternary complex formation between IRAK3 and the cereblon (CRBN) E3 ubiquitin ligase. IRAK3 is a regulatory protein that suppresses proinflammatory signalling in monocytes, macrophages, and neutrophils. Blocking IRAK3's immunosuppressive function is being investigated as an anti-tumour mechanism ." . "WS-898 is an orally bioavailable inhibitor of the ATP-binding cassette transporter P-glycoprotein (P-gp; ABCB1) . P-gp is a drug transporter that can promote multidrug resistance. Pharmacologic inhibition of P-gp is an established mechanism that is being investigated to overcome resistance and/or increase sensitivity to chemotherapy drugs." . "Tariquidar (XR9576) is a third generation inhibitor of the ATP-binding cassette transporter P-glycoprotein (P-gp; ABCB1) . P-gp is a drug transporter that can promote resistance to drugs, including chemotherapeutics. Pharmacologic inhibition of P-gp is an established strategy that is being investigated to block this resistance mechanism in cancers ." . "Zosuquidar (LY335979) is a third generation inhibitor of the ATP-binding cassette transporter P-glycoprotein (P-gp; ABCB1) . P-gp is a drug transporter that can promote resistance to drugs, including chemotherapeutics. Pharmacologic inhibition of P-gp is an established strategy that is being investigated to block this resistance mechanism in cancers ." . "Laniquidar (R101933) is a third generation inhibitor of the ATP-binding cassette transporter P-glycoprotein (P-gp; ABCB1) . P-gp is a drug transporter and efflux pump that can promote resistance to drugs, including chemotherapeutics. Pharmacologic inhibition of P-gp is an established strategy that is being investigated to block this resistance mechanism in cancers ." . "Iboxamycin (OPP-3) is an orally bioavailable, synthetic antibacterial compound . Structurally, IBX is built on a oxepanoproline scaffold that is linked to the aminooctose residue of . X-ray crystallography shows that IBX binds to the large ribosomal subunit in the bacteria (more effectively than clindamycin) and disrupts translation initiation. Iboxamycin is a novel broad-spectrum agent that is active against Gram-positive and Gram-negative bacteria including ESKAPE pathogens that express resistance-conferring Erm and Cfr ribosomal RNA methyltransferase enzymes." . "BIIB091 was disclosed as an orthosteric, ATP-competitive inhibitor of the Tec family kinase, Bruton's tyrosine kinase (BTK) . It is being investigated by Biogen to block the inflammatory processes that drive neurodegeneration in multiple sclerosis. The molecule with no specified stereo centres is represented by ." . "Firzacorvir is an antiviral agent. It acts as an inhibitor of hepatitis B virus (HBV) core protein (a.k.a. capsid assembly modulator or core protein allosteric modulator ), and via this mechanism it disrupts HBV replication. This chemical structure was obtained from INN proposed list 124 (December 2020)." . "BAY-091 is an ATP-competitive inhibitor of the lipid modifying kinase phosphatidylinositol-5-phosphate 4-kinase type 2 alpha (PIP4K2A) . It was designed to aid exploration of the role(s) played by PIP4K2A and -B in pathophysiological conditions such as cancer. BAY-091 directly interacts with PIP4K2A in cells, and inhibits downstream signalling. However, this mechanism failed to translate into the expected phamacodynamic effect of antiproliferative activity in p53-deficient tumour cells, but BAY-091 remains useful as a chemical probe for in vitro analysis of PIP4K2A function." . "BAY-297 is an ATP-competitive inhibitor of the lipid modifying kinase phosphatidylinositol-5-phosphate 4-kinase type 2 alpha (PIP4K2A) . It was designed to aid exploration of the role(s) played by PIP4K2A and -B in pathophysiological conditions such as cancer. BAY-297 and were reported from the same study that used high-throughput screening and SAR optimisation to identify small molecule PIP4K2A inhibitors." . "Structurally SLR14 is a synthetic looped 14-bp RNA duplex that is 5'-tri-phosphorylated (with sequence 5′-pppGGAUCGAUCGAUCGUUCGCGAUCGAUCGAUCC-3′) , whose duplex terminus binds to the RIG-I-like receptor and cytosolic RNA sensor RIG-1. Functionally, SLR14 mimics RIG-1 ligands from RNA viruses, and it selectively stimulates a type I interferon antiviral response. In vivo work using the K18-hACE2 mouse model demonstrates the therapeutic potential of RIG-1 agonism to reduce/prevent SARS-CoV-2 infection and combat viral disease pathology. In the mouse model, SLR14 protects from SARS-CoV-2 infection and COVID-19 pathologies. It prevents infection by all SARS-CoV-2 variants tested, B.1.1.7 (Alpha), B.1.351 (Beta), P.1 (Gamma), B.1.617.2 (Delta) and B.1.526 (Iota), and can resolve persistent SARS-CoV-2 infection in immunodeficient mice." . "FNDR-20123 is the most potent antimalarial compound identified from a HDAC inhibitor library screening study ." . "BMS-986278 a lysophosphatidic acid receptor 1 (LPA1) antagonist . It was advanced into clinical trials to determine its efficacy as a treatment for fibrotic lung conditions." . "SJ995973 is a novel proteolysis-targeting chimera (PROTAC) molecule that targets bromodomain and extra-terminal (BET) proteins for proteasome-mediated degradation . The cereblon binding warhead contains a phenyl glutarimide group that improves chemical resistance to hydrolysis, thereby improving PROTAC efficacy. The BET binding component is based on the BRD4 inhibitor , that is also utilised in the PROTAC ." . "CP-628006 is a CFTR potentiator . It restores function to the cystic fibrosis CFTR gating variant G551D by increasing the frequency and duration of channel openings." . "Reldesemtiv (CK-2127107) is a second generation fast skeletal muscle troponin activator , that was designed to improve upon . Reldesemtiv slows the rate of calcium release from the troponin complex, and sensitises the sarcomere to calcium which leads to increased contractility in fast skeletal muscle fibres. Like tirasemtiv, reldesemtiv was proposed to offer a therapeutic option for debilitating muscle weakness/muscle fatigue in diseases such as spinal muscular atrophy (SMA) and amyotrophic lateral sclerosis (ALS)." . "Compound 10 is a long-acting prodrug of the TGFβR inhibitor BMS-986260 . It contains a matriptase peptide substrate domain, that is cleaved by the protease selectively in the tumour microenvironment. Compound 10 is sufficiently soluble to allow parenteral administration.
We generated the chemical structure shown here from the SMILES provided in the disclosure .
This prodrug approach is proposed to limit exposure of non-tumour tissue to the active parent molecule." . "OCT2013 is an aliphatic amine N-oxide that is converted to lidocaine in vivo . This conversion can occur in the reducing environment of the ischaemic myocardium, an effect that may offer an alternative to lidocaine to produce conduction block during ventricular tachyarrhythmias." . "The methionine in position 10 of human GLP-2(1-33) has been substituted with tyrosine (M10Y) to enable oxidative iodination of the peptide and generation of a [125I]-labelled radioligand that is useful for studying basic GLP-2R pharmacology ." . "The methionine in position 10 of human GLP-2(3-33) has been substituted with tyrosine (M10Y) to enable oxidative iodination of the peptide and generation of a [125I]-labelled radioligand that is useful for studying basic GLP-2R pharmacology ." . "GSK329 is a small molecule inhibitor of cardiac-specific kinase TNNI3K (TNNI3 interacting kinase) . It was derived from the scaffold of the multi-kinase inhibitor (IC50 100nM vs. TNNI3K). GSK329 is suitable as an in vivo tool to assess inhibition of TNNI3K as a novel therapeutic strategy for the treatment of cardiovascular diseases." . "α-PGG is a minor component of tannic acid; β-PGG being the predominant anomer produced in plants." . "This compound is a bifunctional degrader of the cardiac-specific kinase TNNI3K protein, that is claimed in patent WO2021053495A1 . It's kinase binding domain is derived from the quinazoline TNNI3K inhibitor GSK114 , and it contains a cereblon binding ligand to promote association with the protein-degrading E3 ubiquitin ligase complex." . "JX21108 is a selective inhibitor of P. falciparum histone deacetylase 1 (PfHDAC1) that was developed from chemical optimization of ." . "CP-412,245 is a diarylsulfonylurea compound that inhibits conversion of pro-IL-1β to its active soluble form . It can be used to investigate the effects of controlling IL-1β production in inflammatory diseases. The direct NLRP3 inhibitor has a related structure." . "CP-424,174 is a diarylsulfonylurea compound that inhibits conversion of pro-IL-1β to its active soluble form . It can be used to investigate the effects of controlling IL-1β production in inflammatory diseases. It has an additinal hydroxyl group compared to . The direct NLRP3 inhibitor has a related structure." . "VU 0134992 is a potassium channel blocker, with modest selectivit for Kir4.1 (KCNJ10) channels . It is active in vitro, increasing urine output and urinary Na+ and K+ excretion in volume-loaded rats." . "SBP-3264 is an inhibitor of the STE20 family serine/threonine kinases STK3 (MST2) and STK4 (MST1) . STK3/4 activity initiates modulation of downstream Hippo pathway components which culminates in negative regulation of the major Hippo pathway transcriptional coactivators, Yes-associated protein 1 (YAP1) and transcriptional coactivator with PDZ-binding motif (TAZ; WWTR1). The Hippo pathway regulates cell proliferation, differentiation, and apoptosis. STK3 and STK4 have been identified as a potential targets for antileukemia therapy ." . "XMU-MP-1 is a small molecule inhibitor of the STE20 family kinases serine/threonine kinases MST1 (STK4) and MST2 (STK3) . It has off-target activty against ULK1/2 and Aurora kinases which needs to be considered when it is used as a tool compound." . "Idremcinal (EM-574) is an erythromycin derivative that acts as a motilin receptor agonist . It is orally bioactive ." . "[D-Lys3]-GHRP-6 is a peptidic ghrelin receptor antagonist ." . "SA-57 is an inhibitor of fatty acid amide hydrolase (FAAH) . Off-target inhibition of monoacylglycerol lipase (MAGL) and αβ-Hydrolase 6 (ABHD6) can occur." . "ABD-1970 is a potent and selective inhibitor of monoacylglycerol lipase (MAGL) . It is active in vitro and in vivo." . "URB937 is a peripherally restricted inhibitor of fatty-acid amide hydrolase (FAAH) ." . "Levonantradol is a synthetic cannabinoid analogue ." . "AIM-1290 is the lead compound from a novel series of thiazole-containing amides that are potent and selective inhibitors of P. falciparum bifunctional farnesyl/geranylgeranyl diphosphate synthase (PfFPPS/GGPPS) .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "MMV1803022 is a novel antimalarial compound identified through an Open Source Malaria (OSM) consortium predictive model competition .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "MMV897698 is an antimalarial compound identified during optimization of Open Source Malaria (OSM) Series 4 .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "ITH15004 is a non-nucleotide purine derivative that acts as an antagonist of ATP-gated P2X7 ion channel activity . It can cross the blood-brain barrier, and has been used to investigate the potential of P2X7 antagonism to ameliorate neuroinflammation." . "Telitacicept (RC18) is a recombinant fusion protein that combines the ligand-binding domain of the TACI receptor and the Fc component of human IgG. It was designed to inhibit the signalling of B cell and as a mechanism to treat B cell-mediated autoimmune diseases such as systemic lupus erythematosus (SLE), rheumatoid arthritis (RA), multiple sclerosis (MS) and neuromyelitis optica spectrum disorder (NMOSD) ." . "This peptide acts as an antagonist of glucose-dependent insulinotropic polypeptide (GIP) receptor activity ." . "Enarodustat (JTZ-951) is an orally active inhibitor of hypoxia-inducible factor prolyl hydroxylase (HIF-PH) enzyme activity . Inhibition of prolyl hydroxylation of HIF transcription factors is used as an alternative to erythropoiesis-stimulating agents (epoetin, darbepoetin) for the treatment of anaemia resulting from chronic kidnery disease ." . "Levoketoconazole is the pure (2S,4R) enantiomer of the approved drug . Like ketoconazole, levoketoconazole is orally available. It is a more potent inhibitor of glucocorticoid synthesis than the enantiomerically mixed ketoconazole formulation. Levoketoconazole reduces cortisol biosynthesis by inhibiting three key cytochrome P450 enzymes of the glucocorticoid synthesis pathway; 11β-hydroxylase (CYP11B1), 17α-hydroxylase/17,20-lyase (CYP17A1) and steroid 21-hydroxylase (CYP21A2)." . "Donafenib (CM-4307) is a deuterated derivative of the approved multikinase inhibitor . Like sorafenib, it is orally active. Deuteration improves the stability of drug molecules thus extending half-life and increasing systemic exposure. This means that the effective drug dose may be shifted downward, with an associated improvement in tolerability. The medical formulation is donafenib tosylate." . "Vadadustat is an orally bioavailable HIF prolyl-hydroxylase inhibitor. It targets the enzymes PHD1, PHD2 and PHD3 to mediate an increase in endogenous erythropoietin production which delivers anti-anemia action. See also ." . "This compound was desigend as an experimental probe for studying the function of the nuclear receptor TLX (NR2E1) . TLX is a molecular target with potential application in neurodegenerative diseases." . "This is a tool compound that was identified as an inhibitor of several understudied kinases; microtubule affinity regulating kinases 1, 3 and 4 (MARK1/3/4), mitogen-activated protein kinase kinase kinase 9 (MLK1; MAP3K9) and NUAK family kinase 1 (NUAK1) ." . "Compound 21k was designed as an inhibitor of TRAF2 and NCK interacting kinase (TNIK) . Inhibition of TNIK is proposed as a mechanism to combat dysregulated Wnt/β-catenin signalling in colorectal cancer." . "Compound 15c is one of the most potent SARS-CoV-2 Mpro inhibitors, from an extensive series with IC50 values around 200-400 nM . The chemical structure shown here was rendered using the SMILES provided in the primary reference. 15c was crystalised in complex with SARS-CoV-2 Mpro and the structural data is available from the PDB (ID 7T4B)." . "Compound 1 is a deuterated analogue of the Mpro inhibitor . It has improved potency compared to GC-376 in enzyme activity and cell infection assays, and is non-cytotoxic in vitro." . "Compound 21 is a small molecule apelin receptor agonist ." . "This compound is a small molecule, orally active apelin receptor agonist . Its pharmacodynamic effects are similar to those produced by the peptide agonist (Pyr1)apelin-13 in a rat heart failure model." . "BMS-986224 is an orally bioavailable small molecule apelin receptor agonist that was selected as a clinical lead with potential to treat heart failure . Clinical development was discontinued at Phase 1." . "ASP2453 is an oral, covalent inhibitor of the mutant KRASG12C protein . It was developed as a potential therapeutic agent for cancers that are KRASG12C positive. ASP2453 is selective for KRASG12C and has no effect on wild-type KRAS protein functions." . "GS-621763 is an orally bioavailable triester prodrug of (GS-5734) . It is metabolised into the same active nucleoside triphosphate as remdesivir. Like its parent, this prodrug results in inhibition of viral RNA-dependent RNA polymerase (RdRP), and it has been evaluated against SARS-CoV-2 RdRP. GS-621763 has antiviral activity in vitro (in human primary cell systems) and has demonstrated in vivo therapeutic efficacy in mice infected with SARS-CoV-2." . "SY-5609 is an orally bioavailable inhibitor of CDK7 that was designed for anti-cancer potential . It is a derivative of (SY-1365)." . "DS96432529 was designed as a small molecule, orally active bone anabolic agent, to augment the bone mineralisation effect of osteoporosis drugs such as , or parathyroid hormone () . It was selected for its ability to enhance alkaline phosphatase activity, which is an indicator of osteoblast differentiation. Further investigations revealed that DS96432529's pharmacodynamic effects are likely to be mediated via direct inhibition of CDK8 (kinase)." . "This compound is an orally bioavailable and selective inhibitor of the class III phosphoinositide 3-kinase VPS34 , that was developed for potential to modulate autophagy, as an anti-tumour mechanism. Development was discontinued due to potential unfavourable on-target toxicity (e.g. GI tract necropsy in rats ) arising from sustained inhibition of VPS34 kinase activity. Inhibition of VPS34 or deletion of its gene (PIK3C3) is reported to not only affect autophagy, but also alter cellular energy metabolism and disrupt membrane trafficking, phagocytosis and cytokinesis . The mechanism of compound 5's interaction with VPS34 can be used to direct the search for inhibitors for other kinases which avoid VPS34 as an off-target ." . "PF-06939999 is an orally bioavailable, SAM-competitive PRMT5 inhibitor that was developed for ant-tumour potential ." . "ML3-SA1 (EVP-77) is a small molecule agonist of the mucolipin TRP cation channel 3 (TRPML3; MCOLN3) . It has been used in a mouse model to demonstrate that TRPML3 acts as a key regulator of MMP-12 clearance by alveolar macrophages, and this identifies TRPML3 as a novel molecular target for the design of drugs to treat emphysema and chronic obstructive pulmonary disease." . "TPC2-A1-N is a selective activator of the two pore segment channel 2 TPC2 (TPCN2) ." . "TPC2-A1-P is a selective activator of the two pore segment channel 2 TPC2 (TPCN2) ." . "IMP-1002 is an imipramine-based P. falciparum N-myristoyltransferase (PfNMT) inhibitor identified by structure-guided analysis ." . "MRTX1133 is a selective, non-covalent inhibitor of the KRASG12D oncogene . KRASG12D is the most common oncogenic mutation in KRAS mutated cancers. The chemical structure shown here was rendered from the SMILES string provided by Wang et al. in their disclosure paper . Note that this rendering contains additional specified stereo centers compared to PubChem CID 156124857. Anti-tumour efficacy in relevant xenograft models was reported in October 2022 ." . "Compound 39 is a macrocyclic analogue of the apelin receptor agonist , that was designed to have a reduced molecular weight . It activates Gαi1 (EC50 0.8 nM) and β-arrestin2 recruitment (EC50 31 nM) with similar potency and efficacy to apelin-13, but it does not activate Gα12 signalling. Compound 39 retains the cardiac actions of the endogenous ligand." . "Compound 40 is a macrocyclic analogue of the apelin receptor agonist , that was designed to have a reduced molecular weight whilst retaining apelin-13's cardiac effects . It activates Gαi1 and Gα12 signalling and β-arrestin2 recruitment but demonstrates a bias towards Gα12 signalling (~32-fold)." . "NS11021 activates KCa1.1 (KCNMA1) channels , by modulating gating kinetics (increasing the open probability) rather than altering single channel conductance. It is used as a tool compound for investigating the physiological and pathophysiological roles of KCa1.1 channels . NS11021 has more potent activating effect on KCa1.1 channels than ." . "SG-005 is an antagonist of two-pore channel (TPC) function . It has demonstrated anti-proliferative action in certain cancer cells at μM concentrations." . "SG-094 is an antagonist of two-pore channel (TPC) function . It has demonstrated anti-proliferative action in certain cancer cells at μM concentrations." . "MT-8 (pratensein) is a plant-derived isoflavone compound that can be isolated from Kaempferia parviflora (Thai ginseng). It has been demonstrated to act as an inhibitor of TPC2 channels . Blocking TPC2 in vitro increases melanin production in melanosomes, and inhibits proliferation, migration and invasion of melanoma cells." . "UM-9 (duartin) is a plant-derived isoflavone compound that can be isolated from Kaempferia parviflora (Thai ginseng). It has been demonstrated to act as an inhibitor of TPC2 channels . Blocking TPC2 in vitro increases melanin production in melanosomes, and inhibits proliferation, migration and invasion of melanoma cells." . "Tetrandrine is a compound that can be extracted from the Stephania tetrandra vine, or synthesised chemically. It has been demonstrated to act as an inhibitor of multiple ion channels, including two-pore channels 1 and 2 (TPC1/2), and L- and T-type calcium channels . The TPC calcium channels appear to be important for Ebola virus infection of host cells, and in vitro either ablation of TPC expression or tetrandrine-mediated inhibition of TPC channels reduces Ebola infection (IC50 55 nM) .

SARS-CoV-2 infection (COVID-19): Tetrandrine is being studied in clinical trial for potential to treat COVID-19. The biological and pharmacological rationale for this use was reviewed in ." . "17β-estradiol methyl ether (EDME) behaves as a direct inhibitor of the cation channel TRPML1 ." . "PRU-10 is a structural analogue of . Like its parent it has inhibitory action at the cation channel TRMPL1 ." . "PRU-12 is a structural analogue of . Like its parent it has inhibitory action at the cation channel TRMPL1 ." . "KDU691 is an inhibitor of P. falciparum phosphatidylinositol 4-kinase beta (PfPI4Kβ) with a novel imidazopyrazine core .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "PF-04885614 is reported as an orally bioavailable, selective inhibitor of Nav1.8 . Although it exhibits good potency, subtype selectivity and favourable in vivo pharmacokinetics, its poses a hERG liability (IC50 <2 μM)." . "Ensifentrine (RPL-554) is an inhibitor of phosphodiesterases 3 and 4 (PDE3 and PDE4) . It has bronchodilatory action that is associated with short-term improvement in lung function , and has been investigated for therapeutic potential in asthma and chronic obstructive pulmonary disease (COPD). Ensifentrine also has anti-inflammatory effects in vitro (e.g. reducing TNFα release from human monocytes) and in vivo. Anti-inflammatory action in bronchial epithelial cells from cystic fibrosis patients is likely mediated via inhibition of PDE4 isozymes . Ensifentrine is active when delivered orally or by inhalation .

COVID-19: A pilot study of ensifentrine in hospitalised COVID-19 patients was initiated in mid-late 2020." . "amredobresib is a BRD4 inhibitor from Boehringer Ingelheim's patent US9266891B2 . It was designed for antineoplastic potential." . "Avutometinib (CH5126766; Ro5126766) is a small molecule that acts to inhibit p-MEK and p-ERK downstream of the c-RAF/MEK1 interaction . It inhibits the proliferation of BRAFV600E and KRAS mutant cell lines in vitro. Avutometinib is orally active." . "Bezuclastinib (CGT9486; formerly PLX-9486) is a KIT inhibitor that was designed for anti-tumour potential, particularly for tumours that carry KIT mutations that confer resistance to imatinib ." . "Elzovantinib (TPX-0022) is a MET tyrosine kinase inhibitor that targets the SRC and CSF1R pathways in cancers . It has demonstrated activity in patients with MET-driven gastric cancer in Phase 1 clinical trial." . "Abimtrelvir is a newly proposed INN for an antiviral that was revealed in January 2022, in the COVID special section of Proposed List 126. It is therefore assumed to target SARS-CoV-2, and to be a potential drug for the treatment of patients with SARS-CoV-2 infection (COVID-19). Abimtrelvir appears to be from the same chemical series as ." . "Ensitrelvir is a newly proposed INN for an antiviral that was revealed in January 2022, in the COVID special section of Proposed List 126. It was therefore assumed to target SARS-CoV-2, and to be a potential drug for the treatment of patients with SARS-CoV-2 infection (COVID-19). We were able to match this chemical structure to the Shiongi lead compound S-217622, following their preprint disclosure. The Shiongi article was subsequently published in J Med Chem in March 2022 . S-217622 is described as a non-covalent oral Mpro inhibitor, with pharmacokinetics that support once-daily dosing. It was formulated as a 1:1 fumaric acid complex. Molecular dynamics simulation has been used to estimate ensitrelvir's effectiveness against 6 common SARS-CoV-2 variants (Alpha AP.1, Beta B.1.351, Gamma P.1.13, Delta AY.116, Omicron BA.1/2/3/4/5 and Lambda C.37) ." . "Polvitolimod is classified as a toll-like receptor agonist in WHO proposed INN list 126 (January 2022). It was included in the 'COVID' section of that list. Patent mining suggests that polvitolimod is a TLR7 agonist prodrug, that was developed by Primmune Therapeutics as a potential treatment of cancer and infectious disease. In patent WO2019226977 polvitolimod's chemical structure matches that of Compound 32 . Assessment of Primmune Therapeutics' pipeline indicates that polvitolimod is likely to be their clinical candidate PRTX007. If this is the correct name-to-structure association the active drug (PRX034) is likely to be compound 27 as claimed in the patent." . "Enbezotinib was included in the WHO's list 126 of proposed INNs in January 2022. It was classified as a tyrosine kinase inhibitor and antineoplastic in that list. We drew the chemical structure from the INN document." . "Envonalkib is described as a tyrosine kinase inhibitor and antineoplastic in the WHO proposed INN list 126 (Jan 2022). This chemical structure is claimed in patent WO2014117718A1, which suggests that it is an ALK inhibitor ." . "The chemical structure for fidrisertib was obtained from the WHO proposed INN list 126 (Jan 2022). This matches to the company code BLU-782 via PubChem. The compound is the subject of Blueprint Medicines' patent WO2021030386A1 , in which it is described as an activin receptor-like kinase (ALK) inhibitor, with preferred selectivity for ALK2 (ACVR1) and mutant forms of ALK2." . "he chemical structure for gilmelisib was revealed in WHO proposed INN list 126 (Jan 2022), in which it was described as an antineoplastic agent. The chemical structure is claimed in a patent WO2015192760A1, which indicates that it is a PI3K inhibitor ." . "The chemical structure for iruplinalkib was revealed in WHO proposed INN list 126 (Jan 2022), in which it was described as a tyrosine kinase inhibitor and antineoplastic agent. It is one of the compounds claimed in Qilu Pharmaceutical's ALK inhibitor patent US10053477B2 ." . "Ivarmacitinib (SHR0302) is an oral Janus kinase (JAK) inhibitor, with selectivity for JAK1. It is being investigated for anti-inflammatory potential in auto-inflammatory diseases . Likely to be administered as the bisulfate salt as outlined in patent WO2014194741A1 ." . "The chemical structure for narazaciclib was revealed in WHO proposed INN list 126 (Jan 2022), in which it was described as an cyclin dependent kinase (CDK) inhibitor and antineoplastic agent. We matched the structure to Onconova Therapeutics' clinical candidate ON123300 via PubChem. This compound was reported as a CDK4 and AMPK-related kinase 5 (ARK5 a.k.a. NUAK family kinase 1; NUAK1) inhibitor in 2014 . It is being administered orally in clinical trial." . "The chemical structure for paltimatrectinib was revealed in WHO proposed INN list 126 (Jan 2022), in which it was described as a tyrosine kinase inhibitor and antineoplastic agent. It is one of the compounds claimed in Pyramid Biosciences' TRK inhibitor patent US20210094956A1 . Paltimatrectinib may be Pyramid's clinical candidate pan-TRK inhibitor PBI-200, that is being evaluated in TRK fusion cancers, but as of Feb 2022 there has been no formal name-to-structure disclosure. An abstract from the 2019 AACR meeting in Atlanta (USA) describes PBI-200 ." . "The chemical structure for povorcitinib was revealed in WHO proposed INN list 126 (Jan 2022), in which it was described as a Janus kinase inhibitor and anti-inflammatory agent. It is one of the examples claimed in Incyte's JAK inhibitor patent US20210238168A1 , which indicates selectivity for JAK1. Information on Incyte's pipeline page suggests that povorcitinib may be their JAK1 inhibitor clinical lead INCB54707, however as of Feb 2022 there has been no formal name-to-structure disclosure." . "The chemical structure for revumenib was revealed in WHO proposed INN list 126 (Jan 2022), in which it was described as an antineoplastic agent. It resolved to Syndax Pharmaceuticals' SNDX-5613 via a PubChem match on SMILES. SNDX-5613 inhbits the Menin-MLL protein-protein interaction, as a strategy that's being investigated to treat MLL-rearranged leukemias (such as ALL and AML) . Menin inhibitors promote differentiation and apoptosis of MLL-rearranged AML cells in vitro." . "The chemical structure for safimaltib was revealed in WHO proposed INN list 126 (Jan 2022), in which it was described as a mucosa-associated lymphoid tissue lymphoma translocation protein 1 (MALT1) inhibitor and antineoplastic agent. It is one of the examples claimed in Janssen Biotech's patent WO2018119036A1 ." . "The chemical structure for safusidenib was revealed in WHO proposed INN list 126 (Jan 2022), in which it was described as an antineoplastic agent. Chemical SMILES match this structure to the mutant IDH1 inhibitor DS-1001b (Daiichi Sankyo) , which is a Phase 2 clinical candidate. DS-1001b is orally bioavaliable and is able to cross the blood-brain-barrier." . "The chemical structure for tanuxiciclib was revealed in WHO proposed INN list 126 (Jan 2022), in which it was described as a cyclin dependent kinase inhibitor. It is one of the examples that are claimed in Beyond Bio's patent WO2016126085A2 . In this patent data is provided for anti-proliferative activity against HCT116 human colon cancer cells." . "The chemical structure for sovleplenib was revealed in WHO proposed INN list 126 (Jan 2022), in which it was described as a tyrosine kinase inhibitor and antineoplastic agent. It is one of the compounds that is claimed in Hutchison Medipharma's SYK inhibitor patent WO2012167733A1 . Hutchison Medipharma's pipeline page refers to one SYK inhibitor with company code HMPL-523, that is in clinical development. We speculate that sovleplenib could be HMPL-523, but as of Feb. 2022 this name-to-structure has not been disclosed." . "The chemical structure for tinengotinib was revealed in WHO proposed INN list 126 (Jan 2022), in which it was described as a tyrosine kinase inhibitor and antineoplastic agent. The SMILES provided a match to TransThera Sciences' clinical lead TT-00420 via PubChem. TT-00420 appears to be an orally administered multi‐kinase inhibitor that targets cell proliferation, angiogenesis, and immune-oncology, through inhibition of Aurora kinases A/B and Janus kinases (involved in cytokine signalling) and receptor tyrosine kinases such as FGFRs and VEGFRs (which play roles in proliferation and angiogenesis) ." . "The chemical structure for zilurgisertib was revealed in WHO proposed INN list 126 (Jan 2022), in which it was described as a serine/threonine kinase inhibitor. It is one of the compounds that are claimed in Novartis' ALK2 (ACVR1) inhibitor patent US20210155606A1 , and it is also claimed in WO2021257532A1 by Incyte as %22Compound A%22 . Incyte have declared an ALK2 inhibitor (INCB00928) in their development pipeline, but the name-to-structure has not been formally disclosed.

ALK2/ACVR1 is a serine/threonine protein kinase receptor for type I bone morphogenic protein (BMP), and this signalling pathway is crucial in bone formation, and hyperactivty of the pathway is associated with diseases that are characterised by bone malformation, such as fibrodysplasia ossificans progressiva (FOP). ALK2 is also involved in the maintenance of iron homeostasis by governing production of the iron regulatory hormone hepcidin. Elevated hepcidin is thought to be a powerful driver of the pathophysiology of anemia that's associated with chronic disease. Inhibition of ALK2 upstream of hepcidin should increase circulating iron levels. Thus direct inhibition of ALK2/ACVR1 is a molecular mechanism that is being expolited for therapeutic potential in FOP and anemia arising from chronic kidney disease or myeloproliferative diseases." . "R3/I5-SmBiT is a modified analogue of the RXFP3/4 peptide agonist , to which a low-affinity small complementation tag (SmBiT) is ligated to the A-chain N terminus . It is used in a NanoLuc complementation assay (NanoBiT) to monitor receptor-ligand interaction." . "The chemical structure for zipalertinib was revealed in WHO proposed INN list 126 (Jan 2022), in which it was described as a tyrosine kinase inhibitor and antineoplastic agent. Its SMILES matches it to the EGFR inhibitor TAS-6417 (now re-coded as CLN-081) via PubChem. TAS-6417 was designed to selectively target EGFR with exon 20 insertion mutations, which are well defined drivers of non-small cell lung cancer. It is an orally available compound." . "The chemical structure for vicasinabin was revealed in WHO proposed INN list 126 (Jan 2022), in which it was described as a cannabinoid 2 (CB2) receptor agonist. It is one of the compounds that are claimed in Hoffmann-La Roche's patent WO2013068306A1 . Based on structural evidence from a 'first disclosures' session at the XXVll EFMC International Symposium on Medicinal Chemistry in September 2022, vicasinabin appears to be Roche's oral, clinical lead compound RG7774, which is proposed as a treatment for diabetic retinopathy." . "This is one of the compounds that are claimed in Pardes Biosciences' patent as cysteine protease inhibitors, principally as inhibitors of SARS-CoV-2 main protease (Mpro, 3CLPro) . Pardes have a lead compound (PBI-0451) in clinical trial (Phase 1 dose escalation study in healthy subjects NCT05011812), but they have not declared PBI-0451's chemical structure." . "This is a tool compound that was identified as an inhibitor of the understudied kinase BMP2 inducible kinase (BMP2K) ." . "This is a tool compound that was identified as an inhibitor of several understudied kinases; AP2 associated kinase 1 (AAK1), serine/threonine kinase 17a (DRAK1; STK17A), serine/threonine kinase 17b (DRAK2; STK17B) and microtubule affinity regulating kinase 1 (MARK1) ." . "This is a tool compound that was identified as an inhibitor of the understudied kinases AP2 associated kinase 1 (AAK1) and BMP2 inducible kinase (BMP2K) ." . "This is a radioactive tracer (homogeneous monoeuropium-labeled human relaxin-3) that can be used in receptor-ligand interaction studies ." . "Orludodstat (BAY-2402234) is an orally bioavailable dihydroorotate dehydrogenase (DHODH) inhibitor . DHODH is important for de novo pyrimidine synthesis, and is a molecular target for treatment of myeloid malignancies ." . "This is a single-chain peptide mimetic of human relaxin-2 ." . "Remdesivir triphosphate (GS-443902) is a metabolite of . It is formed by replacement of the 5'-hydroxyl group of by a triphosphate group. It inhibits RNA-dependent RNA polymerase (RdRP) activity in a range of viruses." . "5-hydroxyindoleacetic acid (5-HIAA; a serotonin metabolite produced by platelets and mast cells) is reported to act via GPR35 as a neutrophil chemoattractant that recruits neutrophils to sites of inflammation ." . "LEO 134310 is a non-steroidal glucocorticoid receptor (GR) agonist . It was optimised as a topical agent for potential to treat inflammatory skin diseases such as psoriasis. LEO 134310 is rapidly deactivated by enzymatic hydrolysis, thus limiting systemic exposure and improving its therapeutic index. It is hypothesised that LEO 134310 will be more suitable for long-term use than currently used steroidal GR agonist class anti-inflammatory drugs." . "DS-3801b (di-L-tartrate) is a non-macrolide motilin receptor (GPR38) agonist . We show the structure of the parent compound 12. DS-3801b (Daiichi Sankyo) was selected as a clinical lead as a novel gastrointestinal prokinetic agent with potential to treat conditions such as gastroparesis and chronic constipation." . "This compound was discovered as a noncovalent coronavirus Mpro inhibitor in a virtual screening campaign of >200 million fragments, followed by crystallographic screening and hit-to-lead optimisation . Binding to the SARS-CoV-2 Mpro and inhibition of its protease activity were confirmed in in vitro assays." . "This compound in an IRAK4 degrader (PROTAC) that is claimed in Kymera Therapeutics' patent WO2022027058A1 . It is intended as a therapeutic for B-cell lymphomas that express oncogenic mutations in MYD88, e.g. the protein variant MYD88L265P. The cereblon binding portion of the molecule is based on the structure of the immunomodulatory imide drug (IMiD) . Compound A simultaneously promotes the degradation of IRAK4 and the zinc-finger transcription factors Ikaros (IKZF1) and Aiolos (IKZF3), and this mechanism synergistically targets key pro-survival pathways in B-cell lymphomas (MYD88-NFκB and IRF4-Type 1 interferon) to enhance anti-tumour activity.
Kymera have an IRAK4/IMDi degrader (KT-413) in their clinical pipeline, but the name-to-structure has not been disclosed." . "Enavogliflozin (DWP16001) is a selective and competitive sodium/glucose cotransporter 2 (SGLT2; SLC5A2) inhibitor . The structure is identical to that of GCC5694A which was disclosed in early 2022 ." . "This compound is a small molecule dual RXFP3/4 agonist ." . "WNN0109-C011 is a small molecule dual RXFP3/4 agonist ." . "Ac-B10-27(13-17 HC) is a single chain H3 relaxin peptide analogue . A hydrocarbon staple is formed between the (S)-2-(4-pentenyl) alanine residues." . "[G(B24)S]R3/I5 is a synthetic, modified chimeric R3/I5 peptide, that is an agonist of RXFP3 . It retains full activity at RXFP3 compared with wild-type R3/I5 peptide." . "This peptide is a stapled relaxin-3 mimetic . It is a synthetic helical analogue of the relaxin-3 B chain. The hydrocarbon bond (staple) forms between the (S)2-(4′-pentenyl)alanine residues at positions 14 and 18." . "Galidesivir (BCX4430) is an adenosine analogue and broad-spectrum antiviral agent . It was originally developed as a treatment for hepatitis C infection, but has subsequently demonstrated activity against Ebola, Marburg and Zika viruses, and was most recently evaluated for potential to treat SARS-CoV-2 infection (COVID-19). Mechanistically it inhibits the virus' RNA-dependent RNA-polymerase (RdRp), that acts as a nonobligate RNA chain terminator." . "Bebtelovimab (LY3853113) is a SARS-CoV-2-neutralising monoclonal antibody that binds to the virus' spike surface glycoprotein . It was reported to be effective against the delta and early omicron variants (B.1.617.2 and B.1.1.529 respectively). As of July 2022 bebtelovimab was the only available mAb to show preserved in vitro activity against the omicron BA.4 and BA.5 subvariants that were superceding previous omicron subvariants at that time ." . "RLF-(A11-B10)-isopeptide amideA26 (xA11-B10) is a derivative of relaxin-like factor (RLF/INSL3) in which the interchain disulphide bond is replaced with an isopeptide bond. This derivative behaves as a RXFP2 antagonist (Kd ~2 nM) ." . "This is the most potent antimalarial compound from a novel series of diaminopyridines claimed in Eisai's patent WO2021149692A1 .

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "The chemical structure and biological activity of LSN3318839 were disclosed in Willard et al. (2021) . LSN3318839 is described as a positive allosteric modulator of the glucagon-like peptide-1 receptor (GLP1R). It was used to show that GLP1R potentiation can be used as a mechanism to reduce hyperglycemia." . "Compound 1a is from a series of novel tetrahydroisoquinoline derivatives, with antimalarial activity, claimed in patent WO2021204952A1 . Antimalarial potency for this series is predominantly associated with the (+) enantiomer.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "INE963 is a potent antimalarial compound identified by the Novartis Institute for Tropical Diseases (NITD) during an optimization study of a series of 5-aryl-2-amino-imidazothiadiazole (ITD) derivatives . The compound has progressed to clinical evaluation and was awarded MMV Project of the Year (2019).

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY." . "This compound (a.k.a. L-161,638) is a potent and orally bioavailable AT2 selective antagonist ." . "This compound is a nonselective angiotensin (AT) receptor antagonist . It is approximately ~ten-fold selective for AT2R compared to AT1R ." . "BMS-820132 is an investigational oral glucokinase (hexokinase 4) partial activator that was designed for potential to treat type 2 diabetes mellitus (T2DM) ." . "Compound 4 is from a series of antimalarial hexahydropyrimidine analogues claimed in UCB Biopharma patent WO2022008639A1 ." . "ASP5878 is an investigational, oral pan-FGFR inhibitor that was developed for potential to combat solid tumours ." . "HR1405-01 is a tromethamine salt of the active loxoprofenol (an NSAID) metabolite, loxoprofenol-SRS . It was developed for potential anti-inflammatory and analgesic activities, and is formulated for intravenous administration." . "T-690 is an orally bioactive, brain-penetrant inhibitor of UDP-glucose ceramide glucosyltransferase (a.k.a. glucosylceramide synthase) . It was developed for potential to treat the neurodegenerative pathology in Gaucher's disease. This mechanism may have application in other neurodegenerative conditions such as Parkinson's disease." . "This compound is an orally bioavailable inhibitor of the chemerin receptor 1 (CMKLR1) . It is intended to regualte IFN production by plasmacytoid dendritic cells in autoinflammatory diseases." . "This is an orally delivered histamine receptor modulator that has weak agonist activity at histamine H1 receptors and more potent antagonist activity at the H3 receptor subtype ." . "LY3154885 is an orally delivered dopamine D1 receptor positive allosteric modulator (PAM) . It was a clinical candidate for neurological disorders." . "AZ13824374 is an inhibitor of the chromatin modifting enzyme ATPase family AAA domain containing 2 (ATAD2) . It is active in vitro and was designed for potential anti-tumour activity." . "MAP855 is an orally active, ATP-competitive MEK1/2 inhibitor that was designed for anti-tumour potential . It inhibits wild-type and mutant forms of MEK1/2." . "This compound is a - hybrid molecule, that was developed to combat triple-negative breast cancer . It simultaneously targets both estrogen receptor and epidermal growth factor receptor (EGFR) pathways to block cancer cell growth." . "Ganaxolone is a synthetic analogue of the neuroactive steroid allopregnanolone (). Its anti-seizure effect is likely associated with its activity as a positive allosteric modulator of the GABAA receptor ." . "TRV023 is an angiotensin II (AngII) analogue, in which the C-terminal Phe8 residue is replaced with Ala . This modification attenuates Gq-mediated signalling, but has no effect of β-arrestin-dependent receptor endocytosis." . "TRV026 is an angiotensin II (AngII) analogue, in which the C-terminal Phe8 residue is deleted . This truncation attenuates Gq-mediated signalling, and promotes β-arrestin-dependent receptor endocytosis." . "JX35 is a promising antimalarial candidate from a series of compounds developed from chemical optimization of . It is a selective inhibitor of P. falciparum histone deacetylase 1 (PfHDAC1)." . "AZD9574 is a CNS penetrant PARP1 selective inhibitor. Its structure was revealed during the 'first disclosure' session at the ACS Spring 2022 meeting. It was reported that it had shown efficacy in an intracranial BRCA1m MDA-MB-436 xenograft model. AZD9574's chemical structure is claimed in AstraZeneca's patent WO2021260092A1 and its substructure is very similar to the published non-CNS penetrant PARP1 selective inhibitor , but with a couple of methyl groups substituted by fluorines." . "KVD900 is an oral plasma kallikrein (KLKB1) inhibitor that is being developed by KalVista Pharmaceuticals as a therapeutic option that is intended for use early upon the onset of hereditary angioedema (HAE) attacks . Its structure was revealed during the 'first disclosure' session at the ACS Spring 2022 meeting. Formal disclosure was in J. Med. Chem. in October 2022 , and this associated KVD900 with the INN sebetralstat." . "MRTX1719 is an inhibitor of protein arginine methyltransferase 5 (PRMT5) . As a component of the methylosome, PRMT5's methylation activity is essential for mammalian cell survival. In certain cancers with defects in the methionine salvage pathway, inhibiting PRMT5 is lethal . Thus, PRMT5 is an oncology drug target." . "BLU945 is a potent, non-covalent, and orally available EGFR inhibitor (4th generation), that was designed to inhibit the EGFR pathway and provide anti-tumour activity in NSCLC with EGFR resistance mutations (EGFR with T790M/C797S triple mutant; confers resistance to the 3rd generation EGFR inhibitor ). Its structure was revealed during the 'first disclosure' session at the ACS Spring 2022 meeting, and this was matched by the Guide to PHARMACOLOGY team to one of the structures (compound 150) in Blueprint Medicines' patent WO2021133809A1 " . "AMG650 is an oral, first in class, selective small molecule inhibitor of kinesin family member 18A (KIF18A; Q8NI77). Its structure was revealed during the 'first disclosure' session at the ACS Spring 2022 meeting. AMG650 is being investigated for anti-tumour potential in metastatic solid tumours, in particular in TP53 mutant unstable aneuploid cancers that display chromosomal instability (CIN) and which become dependent upon KIF18A activity to prevent lethal multipolar cell division. AMG650 is one of the compounds (example 11-52) that are claimed in Amgen's patent US20200239441A1 ." . "PF-07038124 is a topically administered PDE4 inhibitor that was developed as a treatment for atopic dermatitis and psoriasis. Its structure was revealed during the 'first disclosure' session at the ACS Spring 2022 meeting. This chemical structure is claimed as Example 4 in Pfizer's patent US2020108083A1 ." . "Asapiprant (S-555739) is a DP1 receptor antagonist that was developed for anti-inflammatory potential . It has been used in an animal model of COVID-19 to indicate that targeting the PLA2G2D-PGD2/DP1 receptor pathway provides some benefit in protecting aged mice from lethal virus infection . A clinical study in a select subset of human COVID-19 patients is underway (as of April 2022)." . "This compound binds to PPARγ without any agonist activity . It inhibits CDK5-mediated phosphorylation of PPARγ at Ser273. Compound 10 was designed for antidiabetic potential, as an alternative to thiazolidinedione class antihyperglycemic PPARγ agonist drugs such as and ." . "This compound is a coronavirus 3CL proteinase (3CLpro, Mpro) inhibitor from Hoffman La Roche's patent WO2022043374 . It exhibits potent inhibitory activity at 3CLpro enzymes from a range of human coronaviruses (hCoV-229E, MERS-CoV, hCoV-OC43, SARS-CoV and SARS-CoV-2) in vitro. We present this as one of the most potent broad-range inhibitors from this patent. Extensive experimental work (in suitable cell lines, virus infection models etc.) would be required to determine which example (if any) is suitable for preclinical evaluation." . "LY3372689 is a O-GlcNAcase (OGA) inhibitor that was developed by Eli Lilly as a Tau modulator for Alzheimer's disease. Its structure was revealed during the 'first disclosure' session at the ACS Spring 2022 meeting, and it is the chemical structure that is claimed in Eli Lilly's patent WO2018140299A1 . Information from clinical trial records indicates that LY3372689 is administered orally." . "YCT529 is an oral retinoic acid receptor alpha (RAR-α) antagonist, that is being investigated as a non-hormonal male contraceptive. Its development and function were presented at the spring meeting of the American Chemical Society (ACS) in March 2022. Antagonising RAR-α disrupts spermatogenesis. YCT529 is formulated as a sodium salt. The RAR-α-selective antagonists BMS-189532 and BMS-189614 have been reported previously ." . "BMS-189532 is a retinoic acid receptor-α (RAR-α) selective antagonist, that was designed for activity as a non-hormonal male contraceptive . Antagonising RAR-α is predicted to disrupt spermatogenesis. Despite potent antagonism of RAR-α in vitro, the compound was ineffective in vivo by oral administration. A modified chemotype with the expected in vivo effect on sperm development is represented by ." . "In March 2022, N-0385 was reported as a TMPRSS2 inhibitor, that has potential to disrupt infection of human host cells by coronaviruses by blocking TMPRSS2-mediated cleavage of the viral spike glycoprotein . Mechanistically N-0385 operates as an 'entry inhibitor'. It is speculated that this type of inhibitor could offer prophylactic and therapeutic value across a broad range of coronaviruses (pan-coronavirus antiviral) and it appears to retain activity across SARS-CoV-2 variants. Structurally, N-0385 is a modified tripeptide. This chemical structure was claimed in pre-SARS-CoV-2 patents from Neomed Institute as a matriptase inhibitor (e.g. WO2018112648A1 and US2019337981A1 ). The patents claim use for treatment or prevention of human coronavirus infections including hCoV-NL63, hCoV-OC43, hCoV-229E, hCoV-HKUI, SARS-CoV (Severe Acute Respiratory Syndrome-Corona Virus), or MERS-CoV (Middle East Respiratory Syndrome virus), in addition for potential to prevent infection by other types of viruses such as human parainfluenza viruses, and further therapeutic applications for hyperproliferative, respiratory and inflammatory disorders." . "BMS-986176 (LX-9211) is a clinical stage small molecule inhibitor of AP2 associated kinase 1 (AAK1) . It is CNS-penetrable, and was designed as a drug for treating neuropathic pain. Additional inhibitors (e.g. compounds 43 and 58) were also discovered, but despite good selectivity, potency and favourable efficacy in the CCI rat model (a peripheral nerve injury model of chronic neuropathic pain), their preclinical toxicity profiles were inferior to that of BMS-986176." . "Compound 14a is from a series of antimalarial analogues claimed in patent WO2021155612A1 ." . "EGIS-11150 is an antipsychotic compound that has demonstrated procognitive efficacy in preclinical models . It has an 'atypical' antipsychotic drug profile, with effects on several GPCR receptor pathways within the hippocampal-prefrontal cortex circuit. It has been proposed as a modulator of psychosis and cognitive dysfunction in schizophrenia ." . "This compound is a small molecule activator of STING taht was designed by Curadev Pharma for immunomodulatory potential . It targets a pocket in the protein's transmembrane domain ." . "CFT7455 is a monofunctional IKZF1/3 degrader that was developed by C4 Therapeutics for potential to treat relapsed/refractory multiple myeloma. It is orally bioactive." . "EZM0414 is a first-in-class, oral SETD2 histone methyl transferase inhibitor that was developed by Epizyme for anti-cancer potential. Its chemical structure was disclosed at the AACR spring meeting in 2022 (link to download poster pdf here)." . "This compound is a novel, selective inhibitor of histone deacetylase 6 (HDAC6) with anti-inflammatory potential . Orally administered 35m inhibited NLRP3 inflammasome activation and IL-1β release in vivo." . "GDC-6036 is an oral, covalent inhibitor that targets oncogenic KRASG12C. Its chemical structure was revealed at the AACR spring meeting in 2022. It could be either example 17a or 17b (or a mixture of both) from patent US11236068B2, but these have one extra specified stereo bond; 17a (R), 17b (S) . We matched GDC-6036's chemical structure to the INN 'divarasib' which was published in the WHO's proposed INN list 127 on 21 July 2022." . "KSQ-4279 is a first-in-class, allosteric inhibitor of the cysteine protease ubiquitin specific peptidase 1 (USP1), that was developed by KSQ Therapeutics as a novel, orally bioavailable cancer therapeutic. It is proposed as a monotherapy or as an adjunct to PARP inhibitor drugs. Its chemical structure was disclosed at the AACR spring meeting in 2022." . "CFT8634 is an orally bioavailable BRD9 degrader that was developed by C4 Therapeutics for potential to treat BRD9-dependent tumours. BRD9 degradation is predicted to offer a more effective option than BRD9 inhibition. Its chemical structure was disclosed at the AACR spring meeting in 2022." . "MRTX0902 is an inhibitor of the SOS Ras/Rac guanine nucleotide exchange factor 1 (SOS1) that is intended to target the RAS pathway in KRAS positive tumours. It ws developed by Mirati Therapeutics and its chemical structure was disclosed at the AACR spring meeting in 2022. Full details were published in the Journal of Medicinal Chemistry in July 2022 . MRTX0902 disrupts the protein-protein interaction between SOS1 and KRAS, it is orally bioavailable and can cross the blood-brain barrier. SOS1 is a key activator of KRAS function, so inhibiting their interaction is being explored as novel mechanism to combat KRAS-driven cancers ." . "FHD-286 is a first-in-class oral allosteric BAF complex inhibitor. It targets the SMARCA4 (BRG1) subunit of the complex. FHD-286 was developed by Foghorn Therapeutics, and its chemical structure was disclosed at the AACR spring meeting in 2022." . "Ponazuril is a safe and well tolerated anti-protozoal drug used in horses . Repurposing efforts have identified it as a tropomyosin related kinase (Trk) receptor positive allosteric modulator (PAM), on the hypothesis that increasing NGF/BDNF signalling is predicted to improve neuronal cell functions and survival to boost cognitive capacity in neurological/neurodegenerative diseases. This work by AlzeCure Pharma led to ponazuril's re-naming with their in-house research code ACD855 . ACD855 enhances signalling of the neurotrophins NGF and BDNF via TrkA and TrkB (repectively). It is structurally related to their TrkA-selective lead compound ACD856 that is in clinical development as a novel Alzheimer's disease therapeutic .

ACD856's chemical structure has not been disclosed (Oct 2022), but a number of derivatives with the same 1,3,5-triazine scaffold have been claimed as Trk PAMs in AlzeCure patents WO2020002950A1 and WO2018115891A1 ." . "ABBV-CLS-484 is an inhibitor of the ptotein tyrosine phosphatases PTPN2 and PTPN1 that was developed by AbbVie, Calico Life Sciences, and the Broad Institute of MIT and Harvard, for anti-tumor potential. Its chemical structure was disclosed at the AACR spring meeting in 2022." . "Eliapixant (BAY 1817080) is a selective purinergic receptor P2X 3 (P2X3) receptor antagonist. Bayer investigated this agent as a potential treatment for persistent/refractory chronic cough and for activity to reduce hypersensitive nerve fibers in inflammatory pain conditions ." . "This compound is a sphingosine kinase 1 inhibitor . It has improved anti-proliferative activity compared to in in vitro and in vivo cancer models. Compound 28 is proposed for potential to induce apoptosis in solid tumours." . "This compound inhibits the N7-methyltransferase RNA capping activity of SARS-CoV-2 nsp14 . It is a dinucleoside mimetic of S-adenosyl-l-methionine (SAM; a.k.a. ) that is the methyl donor for the reaction catalysed by nsp14. Compound 25 is selective for nsp14 compared to human RNA N7-MTase (RNMT: O43148)." . "Ulevostinag (MK-1454) is a small molecule STING agonist that was developed as an anti-tumour agent . It is a cyclic dinucleotide derivative." . "This compound is a dual inhibitor of the deubiquitinating enzymes OTUB1 and USP8 . It was developed for anti-tumour potential." . "Etavopivat (FT-4202) is an orally active, small molecule allosteric activator of the pyruvate kinase (PK) isoform that's found in erythrocytes (PK-R) . It activates the erythrocytic glycolytic pathway. Etavopivat is similar in function to ." . "Chlorprothixene can be classified as a (tricyclic) typical antipsychotic drug. The INN record stipulates the (Z) conformer. Mechanistically it acts at multiple GPCRs to mediate its neurological effects. Direct interactions with 5-HT2, dopamine D1, D2, D3, histamine H1, muscarinic and α1 adrenergic receptors have been demonstrated." . "This compound is predicted to be the active version of the TLR7 agonist prodrug . It is claimed as compound 27 in Primmune Therapeutics' patent WO2019226977A1 . TLR7 agonists are predicted to offer clinical benefit in patients with severe COVID-19 , since some loss-of-function variants in TLR7 are associated with increased COVID-19 disease severity (likely via blunted type I IFN production) . We can make a provisional link between compound 27 and the active TLR7 agonist PRX034." . "AZD4625 is a covalent, negative allosteric modulator of the mutant and oncogenic GTPase KRASG12C ." . "This compound is a small molecule inhibitor of STAT3 phosphorylation, that was designed to inhibit proliferation and metastasis of osteosarcomas . It binds directly to the SH2 domain of the transcription factor." . "AX15836 is reported as a selective inhibitor of ERK5 (mitogen-activated protein kinase 7; MAPK7) . It was designed to inhibit the catalytic function of ERK5, to offer potential for use in inflammation and oncology. AX15836 has also been reported to activate ERK5 transcriptional activity , which paradoxically elevates ERK5 signalling," . "SJB2-043 is an inhibitor of the deubiquitinating enzyme, ubiquitin specific peptidase 1 (USP1) . It was used as the core structure in the development of , which has optimised activity against USP8 and OTUB1 ." . "TO507 was reported as an inhibitor of the N7-methyltransferase (MTase) RNA capping activity of SARS-CoV-2 nsp14 . It is a derivative of the S-adenosyl-l-homocysteine (SAH) molecule. Nsp14 is one of two MTases in SARS-CoV-2 , and along with other SARS-CoV-2 enzymes (the proteases Mpro and PLpro, RNA-dependent RNA polymerase, helicase, endonuclease and the 2nd MTase nsp16) it is considered as a tractable target for the development of novel antivirals for COVID-19." . "Vipivotide tetraxetan (PSMA-617) is a potent PSMA (prostate-specific membrane antigen) inhibitor , that was designed for the treatrment of PSMA-positive hormone-relapsed metastatic prostate cancer. It has a DOTA moiety (= tetraxetan) that acts as a radionuclide-chelating domain." . "Example A225 [WO2012170976A2] is an investigational Bruton's tyrosine kinase (BTK) inhibitor. It is a fluoropiperidin analogue of and its chemical structure is claimed in Merck patent. This compound has been identified as TL-895 by online chemical resources, in which it is described as an orally-available, selective and irreversible BTK inhibitor. TL-895 was originally developed for potential to treat refractory myelofibrosis and acute myeloid leukemia (AML).

COVID-19: TL-895 has been redeployed for anti-inflammatory potential in COVID-19 patients. BTK inhibition is expected to reduce production of pro-inflammatory cytokines that are associated with cytokine storm, disease progression and poor prognosis in hospitalised COVID-19 patients." . "Acebilustat (CTX-4430) is an oral leukotriene A4 hydrolase (LTA4H) inhibitor. Pharmacokinetic data indicate that it's suitable for one-daily administration. Acebilustat disrupts biosynthesis of the pro-inflammatory mediator leukotriene B4 (which is a chemoattractant and activator of inflammatory immune cells such as neutrophils), and thus has anti-inflammatory activity.
The chemical structure is claimed in Celtaxsys' patent WO2014164658A1 .

Acebilustat is under investigation for clinical utility as an inhibitor of COVID-19 inflammation." . "Compound 41 is a small molecule, oral WD repeat domain 5 (WDR5) inhibitor . It interacts with the WDR5 interaction motif (WIN)-site which is an important binding interface for the formation of WDR5-based protein complexes. Compound 41 was developed to disrupt WDR5's participation in chromatin regulatory complexes and epigenetic processes in cancers." . "Isuzinaxib (APX-115) is a first-in-class pan-NADPH oxidase (NOX) inhibitor . We show the chemical structure for the free base, but it is generally delivered as the hydrochloride salt. Isuzinaxib was designed to reduce cellular oxidative stress and tissue injury caused by imbalanced reactive oxygen species (ROS) production in pathological condtions. NADPH oxidases (NOX1-5, DUOX1 and DUOX2) are the major sources of ROS. The effects of pan-NOX inhibition by isuzinaxib can be compared with the effects of the dual NOX1/NOX4 inhibitor (GKT137831) .

COVID-19: ROS production in response to virus infection are known activators that promote apoptosis, lung injury, and inflammation. Isuzinaxib is being evaluated as a clinical agent that may reduce ROS-induced tissue damage in SARS-CoV-2 infected patients." . "AMY-101 is a cyclic peptide analogue of . Like compstatin it acts as an inhibitor of complement component 3 (C3), and as an immunomodulator." . "BIO101 is pharmaceutical grade 20-hydroxyecdysone, the latter being a natural product found in the Asparagus filicinus fern, the trematode Trichobilharzia ocellata, and other organisms. Its activity as a non-peptidic activator of the class A orphan GPCR MAS1 has been proposed to offer potential clinical utility to counteract dysregulation of the renin-angiotensin system (RAS) in patients with COVID-19 respiratory failure . Given the role of ACE2 in the RAS, and the disturbance of ACE2 function that likely ensues when SARS-CoV-2 spike protein binds to ACE2, it is feasible that the RAS will be dysregulated in COVID-19, and that ameliorating this disruption through targeted pharmacological intervention might be of potential clinical benefit." . "Danicopan (ACH-4471) is an oral, direct inhibitor of the protease activity of complement factor D , which is a component of the alternative complement pathway. It was originally developed for potential to control complement-mediated intravascular hemolysis and prevent C3-mediated extravascular hemolysis in patients with paroxysmal nocturnal hemoglobinuria .

COVID-19: Danicoplan is being included in the ACTIV-5 platform trial NCT04988035 that is designed to identify promising agents as potential COVID-19 therapeutics that are suitable for progression to more definitive studies. It is initially being tested as a monotherapy and in combination with in hospitalised COVID-19 patients." . "Compound A34 was reported as a selective FGFR4 inhibitor, with in vitro and in vivo anti-cancer activities . In vitro A34 inhibits both the wild type FGFR4 and the FGFR4V550L mutant (IC50s 5.4 nM and 98.2 nM respectively)." . "This compound is a dual Toll-like receptor 7/8 antagonist . It produces predicted pharmacodynamic effect (inhibition of TLR7-dependent IFNα release) in vivo following oral administration." . "EP-7041 is a parenteral, selective small-molecule activated factor XIa inhibitor . It has a very short half-life compared with other FXIa-targeted therapeutics such as the anti-FXIa mAb , and therefore exerts a short-lived antithrombotic effect." . "Ezurpimtrostat (GNS561) is a small molecule inhibitor of palmitoyl-protein thioesterase 1 (PPT1). It induces lysosomal dysregulation which leads to inhibition of late-stage autophagy and cell death. Antitumour and antiviral activities have been demonstrated in vitro and in vivo ." . "Pruxelutamide (a.k.a. proxalutamide, GT0918) is an androgen receptor (AR) antagonist that was originally designed as an anti-prostate cancer drug . It binds to the ligand-binding domain of AR more potently than . Antiviral activity against SARS-CoV-2 has been reported and clinical trials have evaluated efficacy in COVID-19 patients (however note the publisher's 'Expression of concern' regarding the McCoy et al. study )." . "Terevalefim (ANG-3777) is a clinical stage small molecule hepatocyte growth factor (HGF) mimetic. HGF as a pleiotropic factor with roles in organ regeneration . Like HGF, terevalefim activates the HGF/c-MET pathway, to promote tissue and organ repair and function. Terevalefim was developed as a first-in-class therapeutic to target acute organ injury." . "VV116 is an orally available, deuterated analogue . It is a tri-isobutyrate ester prodrug (formulated as the hydrobromide salt) that is converted to an active nucleoside triphosphate (116-NTP) that acts as a viral RNA-dependent RNA polymerase (RdRP) inhibitor. VV116 was developed for antiviral activity against SARS-CoV-2. WE drew the chemical structure as represented in Xie et al. (2021) ." . "Edaravone (MCI-186) is a free radical scavenger . It is used clinically for its neuroprotective action." . "Uproleselan (GMI-1271) is a selective, glycomimetic, selectin E antagonist . It prevents leukocyte adhesion to endothelial cells. Uproleselan disrupts leukocyte-mediated endothelial damage , a mechanism that has been examined for potential to combat venous thrombosis . It is also under investigation for use in cancer as selectin E is involved in cancer cell trafficking . In the tumour microenvironment uproleselan disrupts extravasation and adhesion which are crucial components that contribute to metastasis.

COVID-19: Selectin E is a biomarker for acute respiratory distress syndrome (ARDS), that has pro-inflammatory actions that enhance cytokine release and promote continued influx of neutrophils. This existing evidence had led to inclusion of uproleselan in a clinical trial that is designed to determine if antagonising selectin E can aid recovery in patients with severe COVID-19 pneumonia/ARDS." . "Riamilovir is a synthetic guanine derivative that acts as a broad-spectrum antiviral agent. It disrupts viral transcription and replication, with antiviral activity against a range of RNA viruses. The exact molecular target has not been reported, although molecular docking studies suggest an interaction of riamilovir with SARS-CoV-2 Mpro (3CL protease) . Consequently, riamilovir has been advanced into clinical evaluation for potential anti-SARS-CoV-2 activity." . "MS40 is a cereblon (CRBN)-based proteolysis targeting chimera (PROTAC) degrader of the onco-target WD repeat domain 5 (WDR5) . WDR5 is an integral component of the MLL/KMT2A lysine methyltransferase protein complex. The WDR5-binding component of MS40 is the selective inhibitor , and the CRBN-targeting moiety is the immunomodulatory drug . MS40 promotes degradation of WDR5 and the pomalidomide transcription factor neo-substrates IKZF1 and IKZF3." . "JBJ-09-063 is a negative allosteric modulator (inhibitor) of mutant-epidermal growth factor receptor (EGFR) in tumours . It was designed to provide efficacy in in EGFR-mutant cancers with resistance to existing ATP-competitive receptor tyrosine kinase inhibitors." . "ABBV-318 is an orally bioavailable, CNS-penetrant blocker of voltage-gated sodium channels Nav1.7/Nav1.8 . Both Nav1.7 and Nav1.8 are active therapeutic targets for the development of new anti-pain medications." . "Lenrispodun (ITI-214) is a potent (picomolar) and selective PDE1 inhibitor . It is CNS-active and orally bioavailable, and demonstrates selectivity against other PDE family enzymes. Lenrispodun was developed as a novel mechanism for the treatment of cognitive impairment/dysfunction that is associated with neurodegenerative and neuropsychiatric diseases ." . "DS69910557 is a potent and selective human parathyroid hormone receptor 1 (hPTHR1) antagonist . PTHR1 antagonism is being investigated for the management of disease states in which mineral ion homeostasis and bone are perturbed, such as hyperparathyroidism, hypercalcemia of malignancy, and osteoporosis." . "GNF-1331 is an experimental inhibitor of the membrane bound O-acyl transferase porcupine (PORCN) ." . "This compound is reported as an inhibitor of kinesin family member 18A (KIF18A; Q8NI77) . Compound 24 binds at the interface of KIF18A and tubulin. KIF18A is a molecular target for the development of therapeutics for chromosomally unstable cancers. Inhibiting KIF18A function drives mitotic arrest and cell death. Compound 24 shares some structural similarity with the clinical stage KIF18A inhibitor ." . "(R)-STU104 is a first-in-class molecule that inhibits the interaction between the proteins kinases TAK1 (mitogen-activated protein kinase kinase kinase 7; MAP3K7) and MKK3 (mitogen-activated protein kinase kinase 3; MAP2K3) . These kinases are part of the inflammatory signalling cascade that culminates in TNF-α production. (R)-STU104 binds to MKK3 at a location that disrupts its interaction with the upstream kinase TAK1. This action perturbs MKK3 phosphorylation by TAK1 and inhibits downstream signal propagation. Blocking TAK1-mediated phosphorylation of MKK3 with (R)-STU104 reduces TNF-α in vitro and in mouse models of chronic ulcerative colitis (UC). In the mouse models (R)-STU104 was a more effective UC treatment than the approved UC drug (a PPARγ inhibitor). In addition to TNF-α, (R)-STU104 reduced production of several pro-inflammatory cytokines in vivo, including IL-1β, IL-6, and IL-23." . "Revaprazan (YH-1885) is a K+-competitive acid blocker (P-CAB)/proton pump inhibitor . First in human data demonstrating the on-target effect of revaprazan were reported in 2010 ." . "Tegoprazan (CJ-12420) is an oral, fast-acting potassium-competitive acid blocker (P-CAB) . It reduces gastric acid secretion by inhibiting the H+/K+ transporter (ATP4A; a.k.a. the gastric proton pump) in the stomach lining." . "XL01126 is a VHL-based PROTAC degrader targeting leucine rich repeat kinase 2 (LRRK2). The LRRK2 binding moeity of the compound is the brain-penetrant kinase inhibitor . XL01126 is orally bioavailable and retains the ability of the parent kinase inhibitor to cross the blood-brain barrier. LRRK2 is an active therapeutic target for Parkinson's disease, since activating coding mutations in LRRK2 are associated with dominantly inherited Parkinson's disease . XL01126's development was led by Dundee University's Centre for Targeted Protein Degradation and the Research Institute for Medicines at the University of Lisbon. Initially disclosed in a ChemRxiv preprint .

Cereblon-targeting LRRK2 PROTACs have been disclosed previously, but these were found to be inefficient target degraders ." . "HM43239 is an orally active, clinical stage compound that inhibits a number of kinases that are active in myeloid malignancies, including FLT3, SYK, mutant forms of cKIT, JAK1/2, and other kinases . It is intended as a treament for patients with relapsed/refractory acute myeloid leukemia (AML). We matched its chemical structure to the INN 'tuspetinib' that was released in the WHO's proposed INN list 127 (21 July 2022)." . "SNX281 is a systemically active stimulator of interferon genes (STING) agonist, that was developed to induce anti-tumour immunity . SNX281 is competitive with the endogenous cyclic dinucleotide STING agonist . Analysis reveals that SNX281 self-dimerises to generate a structure that is large enough to occupy STING's cyclic dinucleotide binding site, which switches the protein to its active state conformation." . "Rifaximin is a semisynthetic derivative of rifamycin and belongs to the ansamycin group of antibacterial compounds . It has broad spectrum activity against Gram-positive and Gram-negative bacteria." . "Somatrogon is a recombinant chimeric protein that contains the amino acid sequence of human growth hormone (hGH) and three copies of the 28 aa carboxy-terminal peptide (CTP) from human chorionic gonadotropin (CTP-hGH-CTP-CTP). It acts as a long-acting growth hormone replacement with pharmacokinetics that support once-weekly administration ." . "Wnt-C59 is an experimental inhibitor of the membrane bound O-acyl transferase, porcupine (PORCN) . Procupine catalyses crucial Wnt ligand palmitoylation, and it is an active therapeutic molecular target." . "Rifapentine is a semisynthetic derivative of rifamycin and belongs to the ansamycin group of antibacterial compounds . Rifapentine is on the World Health Organization's Model List of Essential Medicines (link provided in the Classification table, under the Summary tab below) for use as an oral antituberculosis medication." . "Rifabutin is a derivative of rifamycin S and belongs to the ansamycin group of antibacterial compounds . It is on the World Health Organization's Model List of Essential Medicines (link provided in the Classification table, under the Summary tab below) for use as an oral antituberculosis medication." . "Compound 10c is one of the most potent coronavirus Mpro (3CLpro) inhibitors described by Dampalla et al. (2022) . It inhibits Mpros from MERS-CoV and SARS-CoV-2 in vitro and has low cellular toxicity (CC50 >100 μM). Compound 10c's structure contains a spirocyclic component and we show the molecule without the sodium adduct." . "Compound 47 is a selective prostaglandin E receptor 4 (EP4 receptor) antagonist , that was designed to counter the immunosuppressive effect of EP4/PGE2 signalling in the tumour microenvironment." . "Apararenone (MT-3995) is a selective and potent non-steroidal mineralocorticoid receptor (MR) antagonist . It was developed to counteract MR-induced hypertension and organ damage in diseases including diabetic nephropathy and NASH." . "Novobiocin was originally isolated from the actinomycete Streptomyces niveus and belongs to the aminocoumarins, a class of compounds characterized by a 3-amino-4,7-dihydroxycoumarin ring. It is effective against Gram-positive bacteria but has limited activity against Gram-negative pathogens." . "Biapenem is a β-lactam (carbapenem), with broad-spectrum antibacterial activity ." . "Cefdinir is a semisynthetic, third generation cephalosporin and belongs to the β-lactam class of antibacterial compounds . It has broad-spectrum activity against both Gram-positive and Gram-negative aerobic bacteria and is stable to hydrolysis by many common β-lactamases." . "Cefmenoxime is a semisynthetic, third generation cephalosporin and belongs to the β-lactam class of antibacterial compounds . It has broad-spectrum activity against both Gram-positive and Gram-negative bacteria and is resistant to hydrolysis by β-lactamases." . "Cefoperazone is a semisynthetic, third generation cephalosporin and belongs to the β-lactam class of antibacterial compounds ." . "Resmetirom (MGL-3196) was developed as a thyroid receptor β (THRβ)-selective agonist, for potential to treat non-alcoholic steatohepatitis (NASH) and heterozygous familial hypercholesterolemia, with reduced potential to cause side-effects associated with THRα activation outside the liver ." . "Cefpiramide is a semisynthetic, third generation cephalosporin and belongs to the β-lactam class of antibacterial compounds." . "This compound is reported as a thyroid receptor β (THRβ)-selective agonist . It activates the wild type receptor and the subfunctional mutant receptor THRβH435R which has impaired sensitivity to thyroid hormones and underlies resistance to thyroid hormone in carriers." . "Ceftibuten is a semisynthetic, third generation cephalosporin and belongs to the β-lactam class of antibacterial compounds ." . "Cefditoren is a semisynthetic, third generation cephalosporin and belongs to the β-lactam class of antibacterial compounds. To provide acceptable bioavailability for oral use it is formulated as a pivoxil ester prodrug (cefditoren pivoxil, PubChem CID 6437877)." . "Latamoxef is an oxacephem molecule developed by the Shionogi Research Laboratories (Osaka, Japan) . It belongs to the β-lactam class of antibacterial compounds." . "Cefodizime is a third generation cephalosporin belonging to the β-lactam class of antibacterial compounds." . "Cefpirome is a semisynthetic, fourth generation cephalosporin belonging to the β-lactam class of antibacterial compounds ." . "MAT-POS-b3e365b9-1 is one of the non-covalent SARS-CoV-2 main protease (Mpro) inhibitors , that were identified (using A high-throughput computational approach) and based upon an isoquinoline chemical scaffold that was discovered via the COVID Moonshot Consortium." . "Cefoselis is a semisynthetic, fourth generation cephalosporin belonging to the β-lactam class of antibacterial compounds." . "Elafin is a protease inhibitor and it is an endogenous antimicrobial peptide. It is a component of the innate immune response and contributes to controlling microbial infection in mucosal surfaces . Therapeutic potential of elafin and its precursor trappin-2 is discussed by Deraison et al. (2022) ." . "Ontorpacept (TTI-621) is a 345 amino acid fusion protein that consists of the N-terminal V domain of human SIRPα fused to the Fc region of human IgG1 that was designed as an immuno-oncology agent . The SIRPα domain binds to CD47 on cancer cells (to block the CD47-SIRPα anti-phagocytic signal). Inclusion of the IgG1 Fc region enhances phagocytosis of malignant cells via interaction with Fcγ receptors." . "UE2343 is an oral, brain-penetrant hydroxysteroid 11-beta dehydrogenase 1 (11-βHSD1) inhibitor that was developed to reduce brain levels of the stress hormone cortisol, as a mechanism to improve memory in Alzheimer's disease patients . It failed to provide efficacy in a phase 2 clinical trial." . "BMS-986141 is an orally active, selective, and reversible protease-activated receptor 4 (PAR4) antagonist with antiplatelet/antithrombotic activity . It was developed as a back-up to lead compound ." . "Ocedurenone (KBP-5074) is a selective and potent non-steroidal mineralocorticoid receptor (MR) antagonist that was developed by KBP Biosciences for management of uncontrolled/resistant hypertension in advanced chronic kidney disease . The non-steroidal MR antagonist class of drugs includes and which are already in clinical use. These agents typically demonstrate a lower risk of inducing hyperkalemia and with reduced hormonal side effects compared to steroidal MR antagonists such as and .
The chemical structure for KBP-5074 that's depicted here, was disclosed in , and is the (3S,3aR) enantiomer, and this matches the structure submitted for the INN ocedurenone. This chemical structure is one of those claimed in KBP Biosciences' patent US9468635B2 (Example 12 therein) ." . "This is one of the most potent SARS-CoV-2 Mpro inhibitors that are claimed in patent WO2022021841A1 (Sichuan University) ." . "This compound is one of the most potent SARS-CoV-2 Mpro inhibitors in Heptares' patent WO2022129953 . We suspect that their clinical lead SH-879 might be claimed in this patent, but its chemical structure has not been disclosed (June 2022)." . "This compound is one of the SARS-CoV-2 main protease (Mpro) inhibitors claimed in patent WO2021252491A1 from Aligos Therapeutics and Katholieke Universiteit Leuven . We selected this example (58) for its combination of potency against SARS-CoV-2 Mpro enzymatic activity, and its ability to inhibit SARS-CoV-2 infection with relatively low cytotoxicity against model cell lines in vitro. Aligos Therapeutics have declared ALG-097558 as their lead clinical candidate SARS-CoV-2 antiviral, but have not yet disclosed its chemical structure (June 2022). Aligos have also published in vitro data (inhibition of SARS-CoV-2 infection in the Syrian hamster model) for another Mpro inhibitor, ALG-097111 , but again no complete chemical structure was divulged." . "SVEP1 is a large secreted extracellular matrix, multi-domain, multi-function protein with roles in normal physiological processes and disease states . It binds to the integrins α9β1 and α4β1 ." . "This modified dipeptide is used as an antagonist of the α9β1 and α4β1 integrins functions . It is used experimentally as the sodium salt." . "This is a small synthetic molecule that has been demonstrated to disrupt the interaction between the two monomer peptides of the functional interleukin 17A (IL-17A) homodimer (IL-17AA) . Compound 23 was designed as an orally bioavailable agent, for potential to disrupt IL-17A signalling via the IL-17 receptor (principally the IL-17RA/IL-17RC heterodimer), to induce an anti-inflammatory effect in diseases like psoriasis, which are driven by abnormally high IL-17AA expression levels. The 3D structure of compound 23 in complex with the human IL-17AA dimer has been resolved by X-ray crystallography (PDB ID 7AMA). The chemical and physical properties of compound 23 satisfy Lipinski's rule of five for druglikeness ." . "This is a small molecule that was optimised for binding to the pseudokinase (JH2) domain of Janus kinase 2 (JAK2) . It is ~150-fold selective for JH2 compared to the JH1 active kinase site of the enzyme. It binds potently to the JH2 domain with the V617F mutation (Kd 62 nM) that is a known driver of pathogenesis in some myeloproliferative neoplasms. Compound 11 is a potent binder of JAK2 JH2 but it is inactive in cellular assays." . "This is a small molecule that was optimised for binding to the pseudokinase (JH2) domain of Janus kinase 2 (JAK2) . It is ~200-fold selective for JH2 compared to the JH1 active kinase site of the enzyme. It binds potently to the JH2 domain with the V617F mutation (Kd 43 nM) that is a known driver of pathogenesis in some myeloproliferative neoplasms. Compound 13 is slightly less permeable than , but is active in cellular assays, whereas compound 11 is inactive in these assays." . "Maribavir is an orally bioavailable benzimidazole L-riboside that inhibits cytomegalovirus (CMV) pUL97 kinase with nM potency in vitro . It inhibits viral replication." . "SAGE-718 is a positive allosteric modulator (PAM) of N-Methyl-D-aspartate (NMDA) receptors that was designed as a potential treatment for cognitive impairment . Its pharmacokinetics support oral dosing." . "BI-3406 is a potent, selective, and orally bioavailable small-molecule that binds to the catalytic domain of SOS Ras/Rac guanine nucleotide exchange factor 1 (SOS1) and disrupts its interaction with KRAS . Blocking this protien-protein interaction is being explored as a novel mechanism to combat KRAS-driven cancers, and offers the advantage of providing anti-tumour activity that is independent of KRAS mutation status. BI-3406 is a useful molecular probe. It was further optimised to generate the clinical lead BI-1701963 (awaiting disclosure of chemical structure)." . "Plazinemdor (CAD-9303) is a positive allosteric modulator (PAM) of N-Methyl-D-aspartate (NMDA) ligand-gated ion channel receptors that was designed as a potential treatment for the negative and cognitive symptoms that are experienced by patients with schizophrenia. Its chemical structure and use are claimed in Cadent Therapeutics' patent WO2020086136A2 ." . "Cefcapene is a third generation cephalosporin, belonging to the β-lactam class of antibacterial compounds. The compound was developed by Shionogi Research Laboratories (Osaka, Japan) and has broad-spectrum activity against both Gram-positive and Gram-negative bacteria . It is formulated as an ester-type prodrug (cefcapene pivoxil, PubChem CID 5282438) to provide acceptable bioavailability for oral use." . "Cefozopran is a fourth generation cephalosporin, belonging to the β-lactam class of antibacterial compounds. It has broad-spectrum activity and was developed by Takeda for parenteral treatment of infections caused by a range of Gram-positive and Gram-negative bacteria ." . "Maresins are anti-inflammatory and pro-resolving lipid mediators that are biosynthesised from (DHA) by macrophages, via conversions that are catalysed by12-LOX and soluble epoxide hydrolase (sEH). Maresin 2 was identified in 2014 ." . "Compound 56 is a novel modulator of the necroptosis executor protein, mixed lineage kinase domain-like protein (MLKL) . In vitro 56 partially inibits MLKL oligomerization, and reduces translocation of MLKL to the membrane. These two effects are predicted to inhibit the necroptosis pathway." . "Maresins are anti-inflammatory and pro-resolving lipid mediators that are biosynthesised from (DHA; an omega-3 fatty acid) by macrophages. Maresin 1 was the first family member to be identified ." . "TP0556351 is a synthetic hexapeptide molecule that is a selective inhibitor of the anti-fibrosis drug target matrix metallopeptidase 2 (MMP2) ." . "2-Methoxyestradiol is a high-affinity agonist of the G protein-coupled estrogen receptor (GPER) . It is an endogenous metabolite of estradiol () and 2-hydroxyestradiol. 2-Methoxyestradiol has anti-angogenic and vasodilatory activities , but it has limited oral bioavailability and failed to show significant efficacy in clinical trials." . "This small molecule is a potent Rho kinase (ROCK) inhibitor . It was designed to be selective and to cross the blood-brain barrier, in order to evaluate the potential of ROCK inhibition as a disease modifier in Huntington's disease, since ROCK has been implicated in mutant huntingtin protein's aggregation and neurotoxic effects." . "BT7480 is a large molecule that consists of bi-cyclic peptide domains that interact with its target proteins CD137 (4-1BB; an immune cell co-activator molecule) and Nectin 4 (on certain cancer cells) . It engages two CD137 molecules for every one Nectin 4 molecule. This dual binding modality is being explored as a mechanism to induce a CD137-mediated immune cell response against Nectin 4-expressing tumour cells . BT7480 is therefore considered to represent a new modality for immuno-oncology. The SMILES string for BT7480's full chemical structure was provided within the Supporting Information for reference ." . "This compound is a potent and selective inhibitor of the cancer therapeutic target, phosphoinositide-3-kinase α (PI3Kα) . It is orally bioavailable and has a long half-life (>10h), and it mediates an anti-gastric cancer effect in vivo." . "This is a macrocyclic peptide that targets the STUB1 E3 ubiquitin ligase . 22d was developed from a short linear peptide (LWWPD) that binds STUB1 , to guide the design of more selective pharmacological inhibitors as tool compounds for target validation. Although 22d retains the binding affinity for STUB1 of the linear peptide, suboptimal cellular permeability means that this construct is not suitable for experiments in cells or in vivo." . "Danuglipron (PF-06882961) is a small molecule, non-peptide, orally active agonist of the human (and monkey) glucagon-like peptide-1 receptor (GLP-1R) . It was developed as an alternative to established peptide GLP-1R agonists that are used to treat diabetes, and in some instances, obesity (e.g. and ). Danuglipron appears to be a partial agonist in recruiting β-arrestin-2 to GLP-1R (EC50 490 nM) ." . "BI-167107 is a β-adrenoceptor agonist ." . "LY3499446 is a direct inhibitor of oncogenic KRAS mutant G12C that was developed for anticancer potential ." . "RMC-4630 (Revolution Medicines) is a clinical stage oral, allosteric SHP2 (PTPN11) inhibitor that is being evaluated for efficacy against advanced solid tumours. SHP2 is a phosphatase whose inhibition blocks activation of the RAS-RAF-MEK-ERK signalling pathway which is often hyperactivated in tumours.
We matched RMC-4630's chemical structure to the INN 'vociprotafib' which was released in the WHO's proposed INN list 127 on 21 July 2022." . "TNO155 is an oral, allosteric inhibitor of SHP2 (a nonreceptor protein tyrosine phosphatase that's encoded by the PTPN11 gene) . SHP2 is an oncoprotein in its own right, but its inhibition is also being exploited to combat tumours that are driven by hyperactivation in the RAS-RAF-ERK signalling pathway.
We matched TNO155's chemical structure to the INN 'batoprotafib' which was published in the WHO's proposed INN list 127 on 21 July 2022." . "This compound (9d) is a SOS1-directed PROTAC . It is a hybrid molecule combining a VHL ligand and a SOS1 agonist (from ). Although the SOS1-interacting part of this PROTAC is an agonist it mediates efficient SOS1 protein degradation. In vitro 9d provides antiproliferative activity against human cancer cells with various KRAS mutations, and it inhibits tumour growth in a xenograft mouse model." . "VIC 1911 (formerly TAS 119) is an oral, small molecule Aurora kinase A-selective inhibitor. It is being progressed by Vitrac Therapeutics for anti-cancer potential." . "This compound acts as a positive allosteric modulator (activator) of the alpha isoform of protein kinase cGMP-dependent 1 (PKG1α) . It was designed as a pharmacological tool to explore the potential for exploiting PKG1α activation as a mechanism that would be applicable as a treatment for cardiovascular diseases. Compound 33 binds to an allosteric pocket that's proximal to PKG1α's low-affinity cGMP binding domain." . "RP-6306 is the first lead candidate in the class of protein kinase, membrane associated tyrosine/threonine 1 (PKMYT1) inhibitors to be advanced for clinical evaluation . It is orally bioavailable and selective for PKMYT1, and it is active in appropriate preclinical xenograft models of solid tumours . PKMYT1 is a negative regulator of CDK1, and its inhibition induces activation of CDK1 selectively in CCNE1-overexpressing cells; CCNE1 being a chromosome 19q12 locus that is amplified in multiple tumour types and which is a marker of poor prognosis and/or insensitivity to cytotoxic oncotherapies." . "RP-3500 is a clinical lead, selective ATR (Ataxia telangiectasia and Rad3-related) serine/threonine kinase inhibitor that was developed as a novel oncology therapeutic . We matched RP-3500's chemical structure to the INN 'camonsertib' that was included in the WHO's proposed INN list 127 (21 July 2022)." . "Asnuciclib (CDKI-73) is an orally bioavailable cyclin-dependent kinase 9 (CDK9) inhibitor that was developed for antineoplastic potential . CDK9 plays a crucial role in the oncogenic transcription that's promoted by mixed-lineage leukemia gene (MLL) translocations in acute myeloid leukemia." . "We obtained the chemical structure for the INN 'vulolisib' from the WHO's proposed INN list 127 which was released on 21 July 2022. In the WHO document it is described as a phosphatidylinositol 3-kinase (PI3K) inhibitor and antineoplastic agent. This compound is claimed in patent WO2021104146A1, in which it is described as a PI3Kα-selective inhibitor, with antiproliferative activity against cancer cells that express mutated forms of PI3Kα ." . "We obtained the chemical structure for crozbaciclib from the WHO's proposed INN list 127 (21 July 2022). In this document it was described as a cyclin-dependent kinase inhibitor and antineoplastic. This Chemical structure mapped to PubChem CID 129202507 which has the synonym 'CDK4/6/1 Inhibitor, and via ChEMBL to compound 11 in Yin et al. (2018) . Compound 11 was optimised to cross the blood-brain barrier, and is intended as a therapy for glioblastoma multiforme." . "We obtained the chemical structure for culmerciclib from the WHO's proposed INN list 127 (21 July 2022). In this document it was described as a cyclin-dependent kinase inhibitor and antineoplastic. This Chemical structure mapped to PubChem CID 122544510, and to a structure in Nanjing Mingde New Drug Research and Development Company's patent WO2016141881A1 which claims selective CDK4/6 inhibitors as anticancer drugs." . "SPH3127 is an orally active direct renin inhibitor . It induces a more potent antihypertensive effect in in vivo models than the approved renin inhibitor ." . "We obtained the chemical structure for inixaciclib from the WHO's proposed INN list 127 (21 July 2022). In this document it was described as a cyclin-dependent kinase inhibitor and antineoplastic. This Chemical structure mapped to PubChem CID 139390026, and then to compound 442 in GiraFpharma's patent WO2019161224A1 which claims compounds as CDK4 or CDK6 inhibitors for use as anticancer drugs . We have been unable to map inixaciclib to a company research code." . "We obtained the chemical structure for ulecaciclib from the WHO's proposed INN list 127 (21 July 2022). In this document it was described as a cyclin-dependent kinase inhibitor and antineoplastic. This Chemical structure mapped to PubChem CID 126535127, and via ChEMBL to Tadesse et al.'s 2017 CDK4/6 inhibitor paper ." . "We obtained the chemical structure for edecesertib from the WHO's proposed INN list 127 (21 July 2022). In this document it was described as a serine/ threonine kinase inhibitor and antineoplastic. This Chemical structure mapped to PubChem CID 147817927, and to Example 3 in patent WO2020014468A1 which claims the examples as interleukin-1 receptor-associated kinase-4 (IRAK4) inhibitors . Based on Gilead's pipeline page they have an IRAK4 inhibitor GS-5718 in phase 1 development for potential in autoinflammatory diseases." . "We obtained the chemical structure for tilpisertib fosmecarbil from the WHO's proposed INN list 127 (21 July 2022). In this document it was described as a serine/ threonine kinase inhibitor and anti-inflammatory agent. The chemical structure is amongst those that are claimed as Cot (a.k.a. MAP3K8/TPL2) modulators in patent WO2020252151A1 . Inhibition of Cot (which is an upstream regulator in the MEK-ERK pathway) is expected to reduce production and signalling of TNFα, for application in auto-inflammatory diseases. Gilead's development pipeline contains a TPL2 inhibitor, GS-5290, that is in phase 1 for inflammatory bowel disease. Tilpisertib fosmecarbil is likely a follow-up to the parent molecule tilpisertib (formerly GS-4875) that was tested in ulcerative colitis trial NCT04130919." . "We obtained the chemical structure for tuvusertib from the WHO's proposed INN list 127 (21 July 2022). In this document it was described as a serine/ threonine kinase inhibitor and antineoplastic. The structure maps to PubChem CID 90199447, and it is one of the structures that are claimed as ATM and Rad3 related (ATR) kinase inhibitors in patent WO2014089379A1 (Vertex Pharmaceuticals) . We already had Vertex's lead candidate ATR inhibitors (VX-803) and (VE-822) in our dataset." . "This is one of the compounds that are claimed as PDE4B inhibitors in Boehringer Ingelheim's patent WO2013026797A1 . The compounds are claimed for potential to treat inflammatory or allergic diseases of the respiratory tract, such as COPD or asthma. Boehringer Ingelheim's oral PED4B clinical lead BI 1015550 has entered clinical studies , but as no structure has been disclosed, it is not clear if BI 1015550 is one of the examples in WO2013026797A1." . "We obtained the chemical structure for ocifisertib from the WHO's proposed INN list 127 (21 July 2022). In this document it was described as a serine/ threonine kinase inhibitor and antineoplastic. The SMILES converted from the IUPAC in the INN list maps to PubChem CID 58486178, which has the Polo-Like Kinase 4 (PLK4) inhibitor CFI-400945 as one of its synonyms. CFI-400945 is first-in-class oral, and selective inhibitor of polo-like kinase 4 (PLK4) . It has advanced to clinical evaluation in selected cancer patients." . "We obtained the chemical structure for pifusertib from the WHO's proposed INN list 127 (21 July 2022). In this document it was described as a serine/ threonine kinase inhibitor and antineoplastic. This appears to match the structure for TAS-117 which is an allosteric pan-Akt Inhibitor whose structure was depicted in , but the absolute stereo specification has been difficult to resolve. TAS-117 inhibits Akt1, 2, and 3 with similar potencies." . "We obtained the chemical structure for plogosertib from the WHO's proposed INN list 127 (21 July 2022). In this document it was described as a serine/threonine kinase inhibitor and antineoplastic. This Chemical structure mapped to PubChem CID 42640739, and compound 384 as claimed in patent WO2009040556A1 (Cyclacel Limited) which claims pyrimidine derivatives as inhibitors of kinases, 'particularly polo-like kinases' . Plogosertib could be CYC140, Cyclacel's PLK1 clinical lead candidate. Cancer cells with mutated KRAS or p53(-) cells are sensitive to PLK1 inhibition. In these cells it induces prolonged mitotic arrest and apoptosis." . "We obtained the chemical structure for ansornitinib from the WHO's proposed INN list 127 (21 July 2022). In this document it was described as a tyrosine kinase kinase inhibitor. Ansornitinib may be ANG-3070, an oral tyrosine kinase inhibitor that was developed by Angion Biomedica for anti-fibrotic potential in kidney diseases, such as focal segmental glomerulosclerosis and immunoglobulin A nephropathy. Clinical trial of ANG-3070 was terminated in June 2022, following an unexpected and dangerous decline in kidney function in a patient who received the drug treatment. Development for idiopathic pulmonary fibrosis appears to be continuing." . "Compound 15 inhibits phosphate uptake via the NaPi2b transporter (SLC34A2) of the small intestine . NaPi2b inhibitors are being considered for the treatment of hyperphosphatemia." . "We obtained the chemical structure for anizatrectinib from the WHO's proposed INN list 127 (21 July 2022). In this document it was described as a tyrosine kinase inhibitor and antineoplastic. It is a potent and orally active inhibitor of TrkA kinase, and its structuire and use are claimed in patent WO2015175788A1 ." . "We obtained the chemical structure for dalmelitinib from the WHO's proposed INN list 127 (21 July 2022). In this document it was described as a tyrosine kinase inhibitor and antineoplastic. It has been reported as an ATP-competitive, cMET kinase inhibitor ; cMET being the receptor for hepatocyte growth factor (HGF)." . "We obtained the chemical structure for ruserontinib from the WHO's proposed INN list 127 (21 July 2022). In this document it was described as a tyrosine kinase inhibitor and antineoplastic. Ruserontinib appears to be CSPC ZhongQi Pharmaceutical's oral multikinase inhibitor SKLB1028, which inhibits of EGFR, FLT3 and Abl , and is active against FLT3-driven malignancies and those with mutated Abl kinase proteins." . "We obtained the chemical structure for sacibertinib from the WHO's proposed INN list 127 (21 July 2022). In this document it was described as a tyrosine kinase inhibitor and antineoplastic. This same chemical structure is claimed in patent WO2011153942A1 . Inventions of this patent are described as inhibitors of erbB family receptor tyrosine kinases, in particular of EGFR and Her2 (ERBB2)." . "We obtained the chemical structure for tamnorzatinib from the WHO's proposed INN list 127 (21 July 2022). In this document it was described as a tyrosine kinase inhibitor and antineoplastic. PubChem provided the synonym ONO-7475. ONO-7475 is a clinical stage inhibitor of the TAM family receptor tyrosine kinases AXL and MER, that has been developed as a drug for the treatment of leukaemia and advanced solid tumours ." . "We obtained the chemical structure for unecritinib from the WHO's proposed INN list 127 (21 July 2022). In this document it was described as a tyrosine kinase inhibitor and antineoplastic. It is one of the inventions claimed in patent WO2013041038A1 (Teligene Ltd.) . Unecritinib was tested for anaplastic lymphoma kinase (ALK) inhibitory activity, as well as antiproliferative activity in biological assays." . "We obtained the chemical structure for zanzalintinib from the WHO's proposed INN list 127 (21 July 2022). In this document it was described as a tyrosine kinase inhibitor and antineoplastic. The synonym list in PubChem's record for this compound suggests that zanzalintinib is the INN for Exelixis's clinical lead XL092 which is an analogue of . XL092 is an ATP-competitive inhibitor of multiple RTKs including MET, VEGFR2, AXL and MER ." . "Tilpisertib (GS-4875) is an inhibitor of the serine/ threonine kinase Cot (a.k.a. MAP3K8/TPL2). It was developed by Gilead Sciences as a potential anti-inflammatory drug to treat auto-inflammatory diseases. The chemical structure is amongst those that are claimed as Cot (a.k.a. MAP3K8/TPL2) modulators in patent WO2020252151A1 . Inhibition of Cot (which is an upstream regulator in the MEK-ERK pathway) is expected to reduce production and signalling of TNFα. Gilead's development pipeline now contains a TPL2 inhibitor, GS-5290, that is in phase 1 for inflammatory bowel disease. GS-5290 may be follow-up lead compound ." . "We obtained the chemical structure for exarafenib from the WHO's proposed INN list 127 (21 July 2022). In this document it was described as an antineoplastic. The structure is claimed in Kinnate Biopharma's patent WO2021081375A1 . This patent claims the compound as a RAF kinase inhibitor, for potential to treat cancers that are driven by RAF oncogenes. Kinnate Biopharma's pipeline includes their phase 1 pan-RAF inhibitor KIN-2787." . "We obtained the chemical structure for tinlorafenib from the WHO's proposed INN list 127 (21 July 2022). In this document it was described as an antineoplastic. The INN indicates that it is a RAF kinase inhibitor. Further investigations revealed that tinlorafenib has the synonyms PF-07284890 and ARRY-461, that it inhibits BRAF and CRAF, and that it is orally bioavailable and able to cross the blood-brain barrier ." . "We obtained the chemical structure for acloproxalap from the WHO's proposed INN list 127 (21 July 2022). In this document it was described as an anti-inflammatory. Acloproxalap is an analogue of . Like its predecessor, acloproxalap was designed as a molecular trap for pro-inflammatory Reactive Aldehyde Species (RASP) molecules that are produced by metabolic and inflammatory processes, to treat diseases in which aldehyde toxicity is implicated in the pathogenesis . We predict that acloproxalap is the INN for the clinical lead known as ADX-629." . "Icanbelimod (chemical structure extracted from WHO proposed INN list 127) is a S1P receptor agonist that has immunomodulatory action. The structure can be found in patent WO2015039587A1 (Suzhou Kangnaide Biopharmaceutical) . Icanbelimod is selective for S1P1 receptor compared to S1P3 receptor," . "Tunodafil (chemical structure extracted from WHO proposed INN list 127) is a phosphodiesterase 5 (PDE5) inhibitor. It is an analogue of , but is a more potent PDE5 inhibitor than its predecessor. Tunodafil was developed for the treatment of erectile dysfunction, and has been examined for potential to protect against ischemic brain injury ." . "Vimnerixin (AZD4721/RIST4721 ) is an orally bioavailable CXC chemokine receptor type 2 antagonist . It has minimal activity on CXCR1, so has little effect on neutrophil activation." . "Zigakibart is an anti-TNFSF13 (APRIL) monoclonal antibody that has been designed for anti-inflammatory potential. Amino acid sequences for zigakibart's heavy and light chains (obtained from INN documentation) match the sequences for clone 14_1G.15 as claimed in patent US9969808B2 (Aduro Biotech) . Aduro Biotech merged into Chinook Therapeutics in mid-2020, with this new entity holding the humanized IgG4 anti-APRIL mAb BION-1301 in its development portfolio. We predict that zigakibart is the INN for BION-1301. BION-1301 is described as blocking APRIL binding to both the BCMA and TACI receptors, to down-modulate B cell functions." . "Sibeprenlimab (VIS-649) is a fully humanized IgG2κ monoclonal antibody that targets the B-cell growth factor APRIL (TNFSF13) . The antibody binds with high affinity to human trimeric APRIL, and potently blocks APRIL binding to its receptors TACI (transmembrane activator and CAML interactor) and BCMA (B-cell maturation antigen). It was developed by Visterra for anti-inflammatory potential." . "Perenostobart is a monoclonal antibody that targets ectonucleoside triphosphate diphosphohydrolase 1 (ENTPD1/CD39). Based on analysis using the amino acid (aa) sequences provided in the INN documentation and patented aa sequences (via NCBI Blast: protein), perenostobart would appear to map to Surface Oncology's clinical lead anti-CD39 mAb SRF617. Surface Oncology claim anti-CD39 mAbs in patent US10738128B2 . SRF617 is a fully human mAb that was designed to inhibit the enzymatic activity of ENTPD1/CD39." . "This compound is a mitogen-activated protein kinase kinase 7 (MKK7; MAP2K7) inhibitor . MKK7 exclusively phosphorylates downstream JNK, and represents an attractive molecular target for selectively modifying JNK signalling in human disease. 1K is suitable for in vitro work but its physicochemical properties would need to be optimised further for in vivo applications." . "Compound 19 is one of the two dihydroorotate dehydrogenase (DHODH) inhibitor lead candidates discovered by Cisar et al. (2022; Janssen Research & Development) . Compounds 19 and 29 were selected based on their combination of DHODH inhibition potency in biochemical and cellular assays, oral bioactivity, drug-like physicochemical properties, and efficacy in an AML xenograft model.
Janssen have clinical candidate DHODH inhibitor JNJ-74856665 in Phase 1 for AML (NCT04609826), but its structure has not been disclosed (as of August 2022)." . "Farudodstat (ASLAN003; ASLAN Pharmaceuticals) is an orally bioactive inhibitor of dihydroorotate dehydrogenase (DHODH) . It was developed for antineoplastic activity in acute myeloid leukemia." . "LL-K9-3 is a small-molecule that induces simultaneous degradation of CDK9 and cyclin T1 (CDK9-Cyclin T1 heterodimers) that was developed for anti-tumour potential in transcriptionally addicted cancers . It uses hydrophobic tagging technology (HyT) to induce polyubiquitination of CDK9-cyclin T1 complexes, as a mechanism to promote proteasome-mediated degradation of both proteins. In particular LL-K9-3 was evaluated for its inhibitory effects on CDK9 and androgen receptor-mediated signalling pathways in prostate cancer. LL-K9-3 elicits more potent anti-proliferative and pro-apoptotic effects than its parental CDK9 inhibitor (a.k.a. SNS032), or than the CDK9-only PROTAC ." . "Bexotegrast (PLN-74809; Pliant Therapeutics) is a dual-selective integrin inhibitor/antagonist that was developed for anti-fibrosis potential . The αv integrins regulate TGFβ activation (catalysing conversion of latent TGFβ isoforms to the active forms) and fibrogenesis in pulmonary fibrosis models , and αvβ6 and αvβ1 integrins are expressed on abnormal epithelial cells and fibroblasts (respectively) in human fibrotic lung tissue. By antagonising the function of both of these, bexotegrast restricts TGFβ activation and downstream signalling, which has been shown to promote an anti-fibrogenic effect in lung tissue samples from patients with idiopathic pulmonary fibrosis (IPF) ." . "BMS-986339 is an oral, nonbile acid farnesoid X receptor (FXR) agonist that was developed for potential to treat nonalcoholic steatohepatitis via induction of FGF15 in the liver and ileum ." . "Iclepertin (BI 425809) is an oral glycine transporter-1 (GlyT1; SLC6A9) inhibitor . Inhibiting GlyT1 increases the extracellular concentration of glycine which is a NMDA receptor co-agonist. This mecahnism is predicted to combat the neural network dysfunction and cognitive impairment that's associated with schizophrenia, and potentially Alzheimer's disease." . "MK-0159 is an orally bioavailable, small molecule inhibitor of CD38's enzymatic activity . It was developed to help determine the protective potential of CD38 inhibition in ischemia/reperfusion injury." . "NTQ1062 is a potent and oprally bioavailable inhibitor of Akt family protein kinases, that has potent antitumour efficacies in vitro and in vivo . It is an onclolgy clinical lead." . "TAS1553 is a small-molecule inhibitor of the interaction between ribonucleotide reductase R1 and R2 subunits . It binds to the R1 subunit. As a rate-limiting enzyme for dNTP production, ribonucleotide reductase is a molecular target for cancer therapeutics, as its inhibition blocks DNA synthesis and inhibits proliferation of tumour cells. TAS1553 is orally bioavailable." . "Pevonedistat (MLN4924) is an inhibitor of the NEDD8 activating enzyme (NAE) , which is a heterodimer of NAE1 (NAE1; Q13564) and UBA3 subunits. Pevonedistat is structurally similar to the NAE reaction product adenosine 5′-monophosphate (AMP), and interacts with nucleotide-binding site of NAE. NAE is essential for the NEDD8 conjugation pathway which controls the activity of the cullin-RING ubiquitin E3 ligases. NAE inhibitors are proposed to disrupt cullin-RING ligase-mediated protein turnover and to promote apoptosis in human tumour cells." . "This compound is reported as a negative allosteric modulator (NAM) of ligand-gated α5-GABAA receptors that is orally bioavailable . α5-selective inhibitors are being evaluated as a mechanism to restore normal neuronal activity and improve the cognitive deficit that's associated with schizophrenia." . "NVP-CLR457 is an orally bioavailable inhibitor of Class IA phosphoinositol-3-kinases (PI3Ks) . Inhibitors of this type are being evaluated as an approach to cancer treatment that has predicted application over a broad range of tumour types." . "RLX-33 is a nonpeptide antagonist of the neuropeptide receptor RXFP3 (relaxin family peptide receptor 3) . Targeting the RXFP3 system is being evaluated as an approach to regulate physiological processes including appetite control, and motivation for reward." . "INCB13739 is an orally bioavailable, nonsteroidal inhibitor of 11β-hydroxysteroid dehydrogenase 1 (11-βHSD1; HSD11B1) . It is a clinical lead for the control of glucose levels in the treatment of type 2 diabetes mellitus." . "This compound is an inhibitor of the α and β isoforms of p38 MAPK (MAPK14 and MAPK11 respectively) . It was designed to be delivered by inhalation as a therapy for inflammatory lung diseases. We suspect that this is Chiesi Farmaceutici's lead CHF-6297, but name-to-structure for CHF-6297 has not been published." . "MAGLi 432 is reported as a non-covalent, potent and selective inhibitor of monoacylglycerol lipase (MAGL; MGLL) . It was designed as an anti-inflammatory modulator, that was proposed to reduce pools of arachidonic acid in the brain, leading to reduced cyclooxygenase-mediated prostaglandin production and prostaglandin-induced neuroinflammation." . "Dorzagliatin (HMS5552) is an allosteric glucokinase (GCK) activator , that targets both pancreatic and hepatic GCK, and is a 'full' activator that increases GCK's maximum velocity (Vmax) . GCK activators are being developed as novel drugs for the treatment of type 2 diabetes mellitus (T2DM) ." . "BD-1063 is a chemical probe for experimental use. It acts as a sigma non-opioid intracellular receptor 1 (σ1) antagonist . It also antagonises dopamine receptors." . "This compound is an inhibitor of the ongogenic BCR-Abl kinase, that was designed to decrease cardiotoxicity compared to existing therapeutics in this class, such as . Like ponatinib, 33a potently inhibits both wild type BCR-Abl and mutant BCR-Abl kinase that expresses the gatekeeper resistance mutation T315I. Ponatinib is currently (August 2022) the only Abl kinase inhibitor that is effective in CML with the BCR-AblT315I mutation." . "Clorobiocin was originally isolated from the actinomycete Streptomyces roseochromogenes and belongs to the aminocoumarins." . "Declovanillobiocin is an aminocoumarin antibacterial compound isolated from the culture broth of a cloQ- mutant of the clorobiocin producer Streptomyces roseochromogenes . The same study also identified and ." . "Isovanillobiocin is an aminocoumarin antibacterial compound isolated from the culture broth of a cloQ- mutant of the clorobiocin producer Streptomyces roseochromogenes . The same study also identified and ." . "Vanillobiocin is an aminocoumarin antibacterial compound isolated from the culture broth of a cloQ- mutant of the clorobiocin producer Streptomyces roseochromogenes . The same study also identified and ." . "Novclobiocin 101 is an aminocoumarin antibacterial compound and a structural analogue of ." . "Kanamycin (also known as kanamycin A) is the main fermentation product of Streptomyces kanamyceticus . Additional products have been subsequently identified, including (kanamycin B), kanamycin C (PubChem CID: 439582), kanamycin D (PubChem CID: 10368104) and kanamycin X (PubChem CID: 25202222).
Kanamycin has activity against Gram-positive and Gram-negative bacteria and belongs to the aminoglycoside class of antibacterial compounds." . "This compound is an orally bioavailable inhibitor of the blood coagulation protease, factor XIa (F11a) . F11a is a key component of the intrinsic coagulation pathway, and it is an active target for antithrombotic drug discovery. Compound 3f was designed by investigators at Janssen Research & Development." . "Dibekacin is a semisynthetic derivative of (kanamycin B), with activity against Gram-positive and Gram-negative bacteria . It belongs to the aminoglycoside class of antibacterial compounds." . "(R)-AS-1 acts as a positive allosteric modulator (PAM) of the excitatory amino acid transporter, EAAT2 (SLC1A2) that enhances glutamate uptake in vitro . It exhibits potent antiseizure activity in mouse seizure models. (R)-AS-1 is one of the chemical structures that are claimed in patent WO2020214043A1 ." . "Isepamicin is a semisynthetic derivative of gentamicin B, with activity against Gram-negative bacteria . It belongs to the aminoglycoside class of antibacterial compounds." . "TDRL-551 is a small molecule that was desigend by NERx BioSciences to block the interaction between replication protein A (RPA) and single stranded DNA, as a mechanism to enhance the efficacy of platinum-containing chemotherapy drugs ." . "MS8815 is a bifunctional PROTAC molecule that targets the enhancer of zeste homolog 2 (EZH2) protein for degradation . It contains a VHL-binding ligand VHL-1 (a.k.a. VH032 ; PubChem CID 77232228; Kd 188 nM) to recruit the VHL E3 ligase, and the EZH2 engager is the FDA-approved drug (EPZ-6438). EZH2 overexpression is a marker of poor prognosis in triple-negative breast cancer (TNBC). Protein degrading agents are proposed as alternatives to small molecule inhibitors, and are of particular use for 'difficult-to-drug' protein targets." . "CYD0618 is a derivative of the natural product oridonin . Oridonin is an active compound found in the Rabdosia rubescen plant that is used in Chinese traditional medicine for its anti-inflammatory effects. CYD0618 has anti-fibrotic actions in the liver which are proposed to be mediated via inhibition of the NF-κB signalling pathway . This compound also has reported antiproliferative activity in cancer cell lines ." . "HJC0152 was originally identified as an orally bioavailable compound with anti-cancer properties , and weak anti-viral activity . Its chemical structure is based upon that of the signal transducer and activator of transcription 3 (STAT3)-inhibiting compound . STAT3 is an oncology drug target, since excessive activation of STAT3 occurs in cancers, and is a perdictor of poor prognosis. Blocking STAT3 signalling in many cancer cell types induces growth arrest and promotes apoptosis. To mour knowledge there is no quantitative data that supports the direct interaction of HJC0152 with STAT3." . "XY-06-007 is a cereblon (CRBN)-based PROTAC that promotes degradation of BRD4 protein . It was designed to bring the E3 ligase CRL4CRBN into close proximity of an engineered BRD4BD1 mutant with a L94V substitution, to provide evidence that degraders can be designed to selectively degrade a mutated protein whilst sparing the wild-type protein." . "WWL0245 is a bifunctional cereblon-based PROTAC molecule that promotes ubiquitin-proteasomal degradation of BRD4 protein . The BET domain-binding region is based on the dual BET/PLK1 inhibitor . Cereblon binding is mediated via a modified thalidomide moiety. WWL0245 exhibits selective cytotoxicity in BET inhibitor sensitive cancer cell lines such as androgen receptor (AR)-positive prostate cancer cell lines, and it promotes a more potent anti-proliferative effect than the parent BET inhibitor." . "WNY0824 is a dual inhibitor of bromodomain (BET) containing kinases and polo-like kinase 1 (PLK1) . It was designed during the process to identify novel anticancer agents." . "PHTPP-1304 is a novel protein degrader . It binds to the estrogen receptor β via the ERβ antagonist domain, and simultaneously to the autophagy receptor p62, to target the ERβ . This class of degrader is called an AUTOphagy-TArgeting Chimera, or AUTOTAC. AUTOTACs can be designed to target proteins of interest to autophagic membranes where they undergo lysosomal degradation, in a proteasome-independent manner." . "LSZ102 is a potent and orally bioavailable selective estrogen receptor degrader (SERD) . It was developed for as a potential treatment for ERα positive breast cancer." . "C004019 is a small-molecule PROTAC that selectively promotes tau protein degradation . It was designed to reduce tau burden as a mechanism to improve cognitive functions in Alzheimer's disease and other tauopathies. C004019 binds simultaneously to tau and to the VHL E3-ligase to promote selective proteasomal degradation of tau." . "TL12-186 is a PROTAC class molecule, that targets cyclin-dependent kinase (CDK) family proteins for ubiquitination and proteasomal degradation . TL12-186 binds to the CDKs via the parental multi-kinase inhibitor (TAE-684), and uses a moiety to engage cereblon (CRBN). In engineered cell lines expressing individual CDKs, all 16 kinases were degraded by TL12-186 . Interestingly, cell cycle-associated CDKs 1, 2, 4, and 6 were less susceptible to TL12-186-promoted degradation than the other CDKs. Formation of the ternary complex of TL12-186 with CRBN is required for efficient CDK2 degradation." . "Olitigaltin (GB0139) is a inhibitor that is designed for inhalation, and is intended as a therapy for fibrotic lung conditions such as idiopathic pulmonary fibrosis (IPF) . In the fibrotic setting, blocking galectin-3's biological function is predicted to combat the enhanced TGF-β receptor-mediated macrophage differentiation and myofibroblast activation that drives pathological fibrotic changes ." . "The chemical structure for ebaresdax is claimed in Cersci Therapeutics' patent WO2020159643A1 , which allowed us to associate this structure with their clinical lead candidate ACP-044. This was confirmed by synonym matches on PubChem. Ebaresdax (ACP-044) is a first-in-class, orally administered, non-opioid analgesic that was developed for potential to treat neuropathic, surgical and osteoarthritic pain." . "LJ-4517 is an antagonist of the G protein-coupled A2A adenosine receptor ." . "APD668 (also known as JNJ-28630368) is a synthetic small molecule agonist of the orphan G protein-coupled receptor GPR119 . Its in vitro profile and in vivo actions as a GLP-1 secretagogue, reducing triglyceride uptake and hepatic lipogenesis suggests the potential of GPR119 agonists for the treatment of dyslipidemia and non-alcoholic steatohepatitis. However, clinical development of both this compound and the structurally related lead has been terminated." . "The chemical structure for this MRGPRX2 antagonist was revealed during the first disclosures session at the 2022 ACS meeting in Chicago. The orphan MRGPRX GPCRs are being investigated as potential drug targets for mast cell-mediated immune diseases ." . "FLX475 is an orally bioavailable CCR4 antagonist that was developed by RAPT Therapeutics, and is one of the structures claimed in patent WO2018022992A1 . Antagonising CCR4 is proposed to activate the immune response against Epstein-Barr Virus (EBV)-positive tumours . FLX475's chemical structure was revealed during the first disclosures session at the 2022 ACS meeting in Chicago." . "Mitiperstat (AZD4831) is an irreversible and selective myeloperoxidase (MPO) inhibitor that was developed by AstraZeneca . It is intended as a treament of patients suffering from heart failure with preserved ejection fraction (HFpEF)." . "NDI-034858 is an orally bioavailable TYK2-selective inhibitor. Its chemical structure was revealed during the first disclosures session at the 2022 ACS meeting in Chicago. NDI-034858 is one of the compounds (I-908) claimed in patent US20190256519A1 ." . "Onfasprodil was identified from WHO proposed INN list 126 (Jan 2022) as a N-methyl-D-aspartate (NMDA) receptor antagonist. It acts as a negative allosteric modulator of the glutamate ionotropic receptor NMDA type subunit 2B (GRIN2B; GluN2B or NR2B) and is proposed as an intravenous, rapid onset antidepressant. Onfasprodil's chemical structure is claimed in patent US10239835B2 . We predict that is onfasprodil Novartis' Phase 2 clinical lead MIJ821, although name-to-structure has not been disclosed." . "GLPG3970's chemical structure was revealed during the first disclosures session at the 2022 ACS meeting in Chicago. This is Galapagos' oral, salt inducible kinase 2 and 3 (SIK2/3) inhibitor that was proposed for treating inflammatory diseases." . "PF-07258669's chemical structure was revealed during the first disclosures session at the 2022 ACS meeting in Chicago. This is Pfizer's melanocortin 4 receptor (MC4R) antagonist. Blocking MC4R activation is proposed as a mechanism to increase weight gain, and Pfizer intend this agent to be used to treat geriatric anorexia." . "BI-4142 is an oral HER2 selective inhibitor . It inhibits proliferation of Ba/F3 cancer cells with wild-type and activating exon 20 mutation HER2YVMA. EGFR signalling via the EGFR receptor is not altered by BI-4142. BI-4142 is being developed for potential to treat advanced non-small cell lung cancer with oncogenic alterations in Exon 20 of the ERBB2 gene." . "Netilmicin is a semisynthetic derivative of , with activity against Gram-negative bacteria . It belongs to the aminoglycoside class of antibacterial compounds." . "Paromomycin belongs to the aminoglycoside class of antibacterial compounds and was originally isolated from Streptomyces krestomuceticus. It is used as an antiprotozoal drug and is included in the World Health Organization's Model List of Essential Medicines (link provided in the Classification table, under the Summary tab below)." . "Ribostamycin belongs to the aminoglycoside class of antibacterial compounds and was originally isolated from Streptomyces ribosidificus ." . "Micronomicin belongs to the aminoglycoside class of antibacterial compounds and was originally isolated from Micromonospora sagamiensis . It is an analogue of ." . "Dihydrostreptomycin is an aminoglycoside antibacterial drug and a derivative of ." . "CHF-6366 is a dual pharmacology muscarinic receptor antagonist and β2 receptor agonist (MABA) . It was designed to be an inhaled agent for the treatment of respiratory diseases that provides sustained exposure in the lung, but which is rapidly metabolised and eliminated from the systemic circulation." . "This is a small molecule inhibitor of nicotinamide N-methyltransferase (NNMT) . It is suitable for biochemical and cellular assays." . "CC-99677 is an oral, irreversible, covalent MAPK-activated protein kinase-2 (MK2) inhibitor . It interacts with the sulphur atom of cysteine 140 in MK2's ATP binding site. CC-99677 is being explored as an alternative to direct p38 inhibitors, for potential to treat autoinflammatory diseases." . "IHMT-MST1-58 is a potent and selective serine/threonine kinase 4 (STK4; MST1) inhibitor . It is suitable as a pharmacological probe of STK4's roles in physiology and pathology, and may also be considered as a anti-diabetes clinical candidate." . "Spesolimab (BI-655130) is a monoclonal antibody that disrupts interleukin-36 (IL-36)/IL-36 receptor signalling. Blocking this pathway is a molecular mechanism with potential to treat inflammatory diseases in skin and other epithelial tissues , since IL-36R expression is restricted to epithelial cells that are in direct contact with the environment, including those in the skin. Spesolimab (BI-655130) appears to be related to which was reported by Boehringer Ingelheim in 2017 , but we have been unable to perform direct sequence matches. The heavy and light chain sequences for spesolimab (from its INN record) are claimed in Boehringer Ingelheim's patent US9023995B2 ." . "UCM-1306 is a positive allosteric modulator (PAM) of the human dopamine D1 receptor . It increases the affinity of the receptor for dopamine (i.e. the orthosteric agonist), increases the maximal effect of dopamine but is inactive in the absence of dopamine. UCM-1306, which is orally bioavailable, is being investigated as a mechanism to improve the therapeutic effect of L-DOPA in the treatment of Parkinson's disease" . "This compound acts as a pan-Janus kinase (JAK) inhibitor and has effects across a range of proinflammatory signalling pathways, including simultaneous suppression of JAK/STAT and NF-κB signalling . 8l has strong anti-inflammatory activity in in vivo models of inflammatory bowel disease." . "Emlenoflast (MCC7840 ; formerly IZD 174) is one of a growing number of NLRP3 inflammasome inhibitors that have been developed for anti-inflammatory potential . It was developed by Inflazome (acquired by Roche in 2020) as an orally bioavailable drug that is able to cross the blood-brain barrier." . "Selnoflast (RG6418) is a small molecule inhibitor of NLRP3 inflammasome activation . It is structurally related to and (MCC7840). Inhibition of NLRP3 inflammasome activity has anti-inflammatory action that can be applied for the treatment of chronic inflammatory diseases." . "NIC-0102 is a small molecule proteasome inhibitor . It selectively promotes polyubiquitination and proteasome-mediated degradation of NLRP3 protein. The resulting effect is a reduction in the amount of NLRP3 available for NLRP3 inflammasome assembly. In addition, NIC-0102 appears to disrupt the NLRP3-ASC interaction which is crucial for ASC oligomerization and inflammasome complex formation. Although NIC-0102 is structurally related to , the mechanism by which it inhibits NLRP3-dependent IL-1β secretion is different." . "LY3502970 is an oral, nonpeptide glucagon-like peptide-1 receptor (GLP-1R) agonist that was developed as a potential antidiabetic medication . It is a partial agonist (relative to native GLP-1), that biases GLP-1R signalling towards G protein activation and is devoid of β-arrestin recruitment activity." . "KC-180-2 is a dual action tubulin polymerisation inhibitor and Src kinase inhibitor that was developed as a refined derivative of the anti-cancer agent (KX2-391) . Destabilisation of tubulin polymers is the primary mechanism that underlies KC-180-2's effects on cell cycle arrest in cancer cells. KC-180-2 occupies the same non-ATP substrate binding pocket within Src as KX2-391." . "Emfizatamab (GNC-038) is a humanized immunotherapeutic monoclonal antibody that is engineered to engage 4 molecular targets (tetra-specific), to provide immunostimulatory and antineoplastic activities as an approach to treat B cell malignancies. The protein targets are CD19, CD3e, PD-L1 and 4-1BB. Emfizatamab is designed to crosslink CD19-expressing tumour B cells with cytotoxic T lymphocytes (via CD3e binding). It also targets PD-L1 on the tumour cells (preventing interaction with the inhibitory T cell checkpoint protein PD-1), and engagement of 4-1BB (TNFRSF9) acts as a co-stimulatory signal on T cells that is proposed to enhance anti-tumour activity. Likely one of the so-called 'guidance and navigation control (GNC)' proteins that are claimed in Sichuan Baili Pharmaceutical/Systimmune patent US20210024630A1 ." . "Umizortamig (predicted to be GNC-039, from Systimmune's online pipeline page) is a tetra-specific antibody construct that was designed by the same pharma group as . The main difference between the two constructs is that umizortamig has a domain that recognises epidermal growth factor receptor variant III (EGFRvIII) in place of the CD19 binding domain of emfizatamab. The other 3 recognition domains are the same; CD3E, PD-L1 and 4-1BB (TNFRSF9). Umizortamig is intended to induce immunostimulatory and antineoplastic activities against tumours with the EGFRvIII variant. EGFRvIII is a gain-of-function mutation that arises from genomic deletion of exons 2-7 in the EGFR gene, and is a driver of a proportion of high-grade gliomas such as glioblastoma multiforme (GBM). It is likely that umizortamig is one of the so-called 'guidance and navigation control (GNC)' proteins that are claimed in Sichuan Baili Pharmaceutical/Systimmune patent US20210024630A1 ." . "Eflapegrastim (SPI-2012) is a long-acting, human granulocyte colony-stimulating factor (G-CSF) recombinant peptide. Structurally it consists of a recombinant G-CSF (1-174) peptide monomer and an IgG4 Fc dimer, that are joined by a PEG-derived linker molecule. G-CSF stimulates neutrophil progenitor proliferation and differentiation, a molecular mechanism that is exploited to reduce the incidence and severity of chemotherapy-induced neutropenia. The Fc fragment increases the drug's half-life (reduces clearance) and overall efficacy by improving uptake into the bone marrow via binding to Fc receptors on the endothelial cells ." . "Compound 22 is a phosphatidylinositol 4-kinase beta (PI4KIIIβ) inhibitor that was designed by GSK as an inhalation drug that's proposed to reduce the severity of viral lung infections that often exacerbate COPD symptoms. Its chemical structure is claimed in patent WO2019141694A1 . PI4KIIIβ activity regulates pools of phosphatidylinositol-4 phosphate (PI4P) that are crucial for the integrity of cell membranes, and it is principally active within the Golgi network. Experimental evidence indicates that PI4KIIIβ is involved in the genomic replication of a range of RNA viruses (e.g. human rhinovirus, enteroviruses 68 and 71, poliovirus, coxsackie virus, hepatitis C virus, bovine kobuvirus, aichi virus and rubella). It was also reported to be required for spike protein mediated cell entry of the 2002/2003 version of SARS coronavirus . These findings led to the emergence of PI4KB as a potential target for the development of broad spectrum antiviral agents.
This structure was disclosed as 'compound 30' during a 'first disclosures' session at the XXVll EFMC International Symposium on Medicinal Chemistry in September 2022." . "Bekanamycin (also known as kanamycin B) is one of the fermentation congeners produced by Streptomyces kanamyceticus . It has activity against Gram-positive and Gram-negative bacteria and belongs to the aminoglycoside class of antibacterial compounds." . "Doripenem is a parenterally delivered, carbapenem antibacterial compound. It is a semi-synthetic derivative of thienamycin and was developed by the Shionogi Research Laboratories (Osaka, Japan) ." . "Cefmetazole is a semisynthetic, second generation cephalosporin (cephamycin subgroup) belonging to the β-lactam class of antibacterial compounds." . "Panipenem is a carbapenem antibacterial compound developed by Daiichi Sankyo ." . "This is a small molecule that can be used to examine the effects of phosphatidylinositol-3-phosphate 5-kinase (PIKfyve) inhibition on the viral lifecycle . Compound 17 is selective for PIKfyve, and it has been demonstrated to disrupt both entry and replication of β-coronaviruses in vitro. Its core structure was derived from the non-selective kinase inhibitor ." . "AMG28 is a small molecule multi-kinase inhibitor, with activity against NF-κB inducing kinase (NIK; MAP3K14), Tau tubulin kinase 1 (TTBK1), and the lipid modifying phosphoinositide kinase, FYVE-type zinc finger containing (PIKFYVE), amongst others . It is one of the kinase inhibitors claimed in Amgen patent WO2009158011A1 ." . "Varokibart is an IgG4λ, fully human anti-IL-5 monoclonal antibody that was developed for potential anti-inflammatory action. The '-bart' stem indicates that it is an engineered antibody. The amino acid sequences for varokibart's heavy and light chains are claimed in Cephalon, Inc.'s patent WO2018119016A1, as SEQ IDs 20 and 19 respectively . These two peptide chains generate the antibody disclosed as 3A5.046 therein.
Teva acquired Cephalon in 2011, and from review of Teva's development pipeline it is possible that varokibart is their clinical candidate TEV-48574. Although the mechanism of action of TEV-48574 has not been formally declared, it was initially tested for anti-asthma efficacy, which is a predictable indication for an anti-IL-5 agent." . "Cefaloglycin is a semisynthetic, first generation cephalosporin belonging to the β-lactam class of antibacterial compounds. It is orally absorbed and has activity against both Gram-positive and Gram-negative bacteria ." . "Enmetazobactam is an extended-spectrum β-lactamase inhibitor. It is an N-methylated derivative, under clinical development for use alongside β-lactam-containing antibacterial compounds to reduce their lactamase-induced degradation." . "Cefaloridine (also known as cephaloridine) is a semisynthetic, first generation cephalosporin belonging to the β-lactam class of antibacterial compounds. It is a derivative of cephalosporin C and demonstrates broad-spectrum antibacterial activity against Gram-positive and Gram-negative bacteria ." . "Ralmitaront (RO6889450) is a trace amine associated receptor 1 (TA1) partial agonist that was developed by Hoffmann-La Roche as a potential antipsychotic , with an alternative molecular target compared to existing antipsychotics , i.e. it does not directly engage dopamine D2 receptors. See also the entry for the dual TA1/5-HT1A agonist ." . "Cefapirin is a semisynthetic, first generation cephalosporin belonging to the β-lactam class of antibacterial compounds ." . "Cefacetrile is a first generation cephalosporin belonging to the β-lactam class of antibacterial compounds." . "TTK21 is a small molecule activator of CREB-binding protein (CREBBP) and p300 (EP300) histone acetyltransferases . It reaches the brain when administered intraperitonealy as a glucose-based carbon nanosphere conjugate. TTK21 induces axon regeneration in in vivo models of spinal injury and neurodegeneration ." . "LIZA-7 is a thymidine analogue. It has been found to interact with an allosteric site on the SARS-CoV-2 Nsp15 endoribonuclease ." . "FUZS-5 is a thymidine nucleoside analogue. It has been found to interact with an allosteric site on the SARS-CoV-2 Nsp15 endoribonuclease ." . "NMT5 is an aminoadamantane nitrate compound. It has been reported as a small molecule that reduces SARS-CoV-2 infection in vitro and in the Syrian hamster COVID-19 model . NMT5 has a dual-mechanism of action. It simultaneously blocks SARS-CoV-2 ion channels (that are formed by the envelope protein, E, and are implicated in viral assembly, release, and pathogenesis) on the surface of the virion, and it chemically modifies the spike protein (S) to disrupt binding to ACE2 on host cells .
A patent from 2017 reveals that aminoadamantyl nitrate compounds have been proposed for the treatment of CNS disorders, by acting as selective uncompetitive antagonists of activated extrasynaptic NMDA receptors ." . "Lecanemab (BAN2401) is a clinical lead, humanized IgG1 monoclonal antibody that targets amyloid β protein (APP) protofibrils . It binds more potently to amyloid β protofibrils than to monomeric amyloid β . Lecanemab is being investigated by Eisai and Biogen for potential to slow neurological decline in patients in the very early stages of developing Alzheimer's disease. It will not be suitable for other forms of dementia.
This blog post by Derek Lowe ('Lecanemab and Alzheimer's: More Data'; posted on Nov. 30, 2022) provides a sound review of lecanemab's reported efficacy , what it contributes as an Alzheimer's therpy, and the issues around potential lecanemab-mediated cerebral bleeding events." . "Cefazedone is a semisynthetic first generation cephalosporin belonging to the β-lactam class of antibacterial compounds." . "Cefatrizine is a semisynthetic first generation cephalosporin belonging to the β-lactam class of antibacterial compounds." . "Obicetrapib is a clinical lead, orally bioavailable, small molecule, cholesterol ester transfer protein (CETP; P11597) inhibitor . It was developed as a treament for dyslipidemia. Agents of the CETP class are proposed to increase HDL cholesterol, lower LDL cholesterol, and enhance reverse cholesterol transport, as a mechanism to reduce the risks of elevated cholesterol on atherosclerosis. Prior to the re-launching of trials involving obicetrapib by NewAmsterdam Pharma, no CETP inhibitor had demonstrated sufficient safety and/or efficacy in a clinical study to warrant continued development." . "GNE-064 is a selective and orally active small molecule inhibitor of SMARCA4, SMARCA2 and PBRM1 bromodomain-containing proteins, that can be used as a probe to study the functions of these proteins . Its high solubility suggests that it may be suitable for in vivo studies." . "ACT-660602 is a selective antagonist of the chemokine GPCR, CXCR3 . It was designed for potential to treat autoimmune diseases, in which CXCR3 signalling promotes recruitment of immune cells that mediate damage in inflamed tissues. ACT-660602 inhibits migration of these damaging cells, and is active in a rodent LPS-induced lung inflammation model." . "Compound 23 is a selective cathepsin K inhibitor . Cathepsin K (a collagenase) is upregulated in osteoclasts, chondrocytes and synoviocytes in osteoarthritic (OA) diseases, so inhibiting this cysteine protease would be expected to reduce/delay cartilage/subchondral bone destruction in OA joints . Compound 23 is active in vitro and target engagement has been demonstrated in vivo." . "Vipoglanstat (GS-248) is a prostaglandin E synthase (PTGES; mPGES) inhibitor that was designed for potential to modulate inflammatory pain. mPGES inhibitors block the generation of pro-inflammatory prostaglandin E2 in a more specific manner than NSAID cyclooxygenase (COX) inhibitors. Vipoglanstat's chemical structure matches that of example 1 in Boehringer Ingelheim's patent WO2012022793A1 ." . "Cefamandole is a semisynthetic, second generation cephalosporin belonging to the β-lactam class of antibacterial compounds . It has broad-spectrum activity and is β-lactamase-resistant. It is administered parenterally as the prodrug cefamandole nafate.
Because of its inhibitory activity towards human aldehyde dehydrogenase, cefamandole produces an effect to ethanol similar to that produced by (Antabuse®)." . "LY3023703 is a selective inhibitor of prostaglandin E synthase (mPGES-1), an inducible enzyme that regulates the biosynthesis of proinflammatory PGE2 downstream of the cyclooxygenases (COX 1 and 2) . It was developed as a potential treatment for inflammatory pain. Clinical development of LY3023703 was terminated at phase 1 because a reactive metabolite (generated from its 2-Aminoimidazole functional group) caused drug-induced liver injury ." . "Efmarodocokin alfa is a recombinant human IL-22-Fc IgG4 fusion protein that acts as an agonist of the heterodimeric Interleukin-22α1/10β receptor which is expressed by epithelial cells. It activates the IL-22 signaling pathway without inducing systemic inflammation or causing immunosuppression. Efmarodocokin alfa was developed for potential to treat infectious or inflammatory diseases . The most advanced investigation of its clinical utility has been of its potential to induce repair of the intestinal epithelial damage that is caused by inflammatory bowel diseases ." . "D5261 is an allosteric inhibitor of neurotrophic receptor tyrosine kinase 1 (NTRK1; also known as tropomyosin receptor kinase A/TrkA; which is a therapeutic target for the treatment of chronis pain) ." . "this is a test" . "MS15 is a PROTAC that targets the AKT serine/threonine kinases for proteasomal degradation . Its AKT binding domain is the allosteric pan-AKT inhibitor (ARQ-092). This is joined to a von Hippel-Lindau (VHL)-recruiting ligand by a short linker. MS15 selectively and significantly degrades AKT1 and AKT2 and suppresses proliferation in cancer cells with KRAS/BRAF mutations. AKT3 is expressed at very low levels in the SW620 cells used in the assay, so the degrading effect of MS15 on AKT3 is unclear. An earlier AKT-directed PROTAC (MS21) with an ATP-competitive AKT inhibitor (/AZD5363) as warhead was not anti-proliferative against KRAS/BRAF mutation-carrying cells." . "Cefonicid is a semisynthetic, second generation cephalosporin belonging to the β-lactam class of antibacterial compounds ." . "Ceforanide is a semisynthetic, second generation cephalosporin belonging to the β-lactam class of antibacterial compounds ." . "Cefprozil is a semisynthetic, second generation cephalosporin belonging to the β-lactam class of antibacterial compounds. We show the cis-isomer which has greater antibacterial activity in vitro than the trans form ." . "TLQP-21 is a 21 amino acid endogenous bioactive peptide that is cleaved from the neurosecretory and inducible nerve growth factor protein VGF. Experimental evidence supports its function as a complement C3a receptor 1 (C3aR1) agonist ." . "This compound is a small molecule inhibitor of phosphodiesterase 12 (PDE12) ." . "PET-UNK-29afea89-2 is one of the non-covalent SARS-CoV-2 main protease (Mpro) inhibitors , that were identified (using A high-throughput computational approach) and based upon an isoquinoline chemical scaffold that was discovered via the COVID Moonshot Consortium." . "NK01-63 is an analogue of the coronavirus Mpro inhibitor that is active against SARS-CoV-2 in biochemical and cellular assays. We show the parent molecule here, but NK01-63 may be formulated as the sodium adduct." . "ZWB67 is a bispecific monoclonal antibody that simultaneously targets the tumour antigen claudin 18.2 (CLDN18.2) and the CD3e molecule on effector T cells . It uses the VH and VL domains from the anti-hCD3e from Amgen's CD3e/PSMA bispecific pasotuxizumab. Affinity for CD3e is low by design. ZWB67 is intended to induce an anti-tumour immune response against CLDN18.2+ve cancers . ZWB67 has demonstrated in vivo efficacy in a mice bearing MC-38-hCLDN18.2 xenograft tumours." . "DF2755A inhibits CXCL8 (IL-8) signalling via its endogenous chemokine receptors CXCR1 and CXCR2 . It does not alter the binding affinity of CXCL8 for either receptor, indicating that it is behaving as a negative allosteric modulator (NAM). Activation of the IL-8 pathway has been linked to the development of chemotherapy-induced neuropathic pain. It is predicted that inhibition of this mechanism might offer clinical utility for cancer patients who experience chemotherapy-induced peripheral neuropathy .
We show the carboxylic acid parent form for this compound, but DF2755A is used as the sodium salt." . "DF2726 is a non-competitive, negative allosteric modulator of CXCL8 (IL-8) signalling via its endogenous chemokine receptors CXCR1 and CXCR2 . Its chemical structure was claimed in patent EP3192504A1 , and it appears to be structurally related to . Activation of the IL-8 pathway has been linked to the development of chemotherapy-induced neuropathic pain. It is predicted that inhibition of this mechanism might offer clinical utility for cancer patients who experience chemotherapy-induced peripheral neuropathy .
DF2726A refers to the sodium salt formulation that is used for in vitro and in vivo studies." . "ICeD-2 has been identified as a dipeptidyl peptidase 9 (DPP9) inhibitor . DPP9 inhibition activates the CARD8 inflammasome which triggers pyroptosis . The DPP9/CARD8 pathway is under investigation as a mechanism to target residual/latent HIV-1 in patients following antiretroviral therapy ." . "BAY-069 is a small molecule inhibitor of branched chain amino acid transaminases 1 and 2 (BCAT1/2) . It is an experimental tool compound for in vitro and in vivo studies. BAY-069 is available from the Structural Genomics Consortium in support of open science ." . "Teclistamab (JNJ-64007957) is a bispecific IgG4 monoclonal antibody that simultaneously engages CD3 on the surface of T cells, and B-cell maturation antigen (BCMA) that is expressed on the surface of multiple myeloma (MM) cells, to induce a T cell-mediated cytotoxic immune response against the BCMA +ve cells ." . "YH-6 is a covalent inhibitor of SARS-CoV-2 3C-like protease (3CLpro; a.k.a. main protease or Mpro) ." . "Upacicalcet is an amino acid-derived compound trhat acts as a calcium-sensing receptors (CaSR) positive allosteric modulator (PAM) . In silico and in vitro studies revealed that upacicalcet targets the amino acid binding site of CaSR, and binds competitively with L-tryptophan." . "This compound was designed as an inhibitor of eukaryotic translation initiation factor 2 alpha kinase 4 (a.ka. GCN2) , for potential anti-tumour efficacy." . "CH7057288 is an orally bioavailable pan-tropomyosin receptor kinase (TRK) inhibitor . The TRKs are oncogenic drivers and are validated therapeutic targets whose inhibition offers anti-tumour potential." . "Ceftezole is a first generation cephalosporin belonging to the β-lactam class of antibacterial compounds ." . "Azlocillin is a semisynthetic penicillin derivative." . "JNJ-64264681 is an orally bioavailable, covalent Bruton's tyrosine kinase (BTK) inhibitor ." . "Talquetamab (JNJ-64407564) is a humanized, IgG4 bispecific monoclonal antibody that engages the orphan GPCR GPRC5D that's expressed on majority of malignant plasma cells from multiple myeloma (MM) patients and CD3ε on T cells . It has amino acid substitutions in its Fc region to minimise binding to Fcγ receptors and antibody-directed effector functions. The peptide sequences for talquetamab's heavy and light chains are claimed in Janssen's patent US10562968B2 . In preclinical studies talquetamab promotes immune killing of MM cells, including cells from patients with -refractory disease ." . "Ervogastat (PF-06865571) is a diacylglycerol O-acyltransferase 2 (DGAT2) inhibitor . DGAT2 inhibition is proposed as a mechanism to reduce hepatic triglyceride (TG) accumulation that underlies hepatic injury in non-alcoholic fatty liver disease." . "Clesacostat (PF-05221304) is an acetyl-CoA carboxylase (ACC) inhibitor . It was designed to treat non-alcoholic steatohepatitis (NASH) by targeting disordered lipid metabolism in the liver." . "CP-640186 is an acetyl-CoA carboxylase (ACC) inhibitor , that binds to the enzyme's carboxyltransferase (CT) domain . It is active in vitro and in in vivo models ." . "Dicloxacillin is a narrow-spectrum β-lactam antimicrobial compound." . "SIR1-365 is a RIPK1 inhibitor. Its chemical structure is claimed in Sironax's patent US20210284598A1 ." . "GSK3145095 is an orally bioavailable receptor-interacting serine/threonine-protein kinase 1 (RIPK1) inhibitor . It was developed for potential antineoplastic and immunomodulatory activities, but development was terminated at Phase 2." . "SIAIS164029 is a PROTAC type degrader of ALK tyrosine kinase proteins . The tyrosine kinase inhibitor moiety of the molecule is an analogue ('Id' in the patent), and the CRBN-binding ligand is ." . "Loracarbef is a second generation cephalosporin, belonging to the β-lactam class of antibacterial compounds." . "D6808 is a selective and potent macrocyclic inhibitor of the MET proto-oncogene receptor tyrosine kinase (a.k.a. c-Met) . It was designed for potential to treat gastric cancers with tumour-inducing MET alterations." . "Compound 6li is reported as an orally bioactive inhbitor of AXL receptor tyrosine kinase . It was designed for antitumour potential." . "Mirvetuximab soravtansine (IMGN853) is an antibody-drug conjugate (ADC) that delivers the cytotoxic maytansinoid DM4 (a microtubule toxin) to cancer cells that express the folate receptor α (FOLR1; P15328) . FOLR1 is an active oncology drug target . Mirvetuximab soravtansine has proven particularly effective against FLOR1 +ve, advanced ovarian tumours .
The chemical structure of DM4 and its sulfo-SPDB linker is represented in PubChem CID 131704480." . "Flomoxef is a second generation cephalosporin, belonging to the β-lactam class of antibacterial compounds and developed by the Shionogi Research Laboratories (Osaka, Japan) ." . "Teplizumab is a humanized anti-CD3e monoclonal antibody that was originally developed as an immunomodulatory agent. Structurally it is a modified version of the mouse antibody (mOKT3) that has been used to reverse steroid-resistant renal allograft rejection. Alterations in the OKT3 CH2 domain disrupt Fcγ receptor binding, and blocks antibody-mediated effector cells functions and cytokine release . It was advanced to extended clinical evaluations for potential to protect pancreatic β-cells in newly diagnosed type 1 diabetes (T1D) patients , following evidence that it impaired expansion of alloreactive anti-β cell T cells , and that a single short course of teplizumab treatment could induce a long-lasting improvement in patients' C-peptide responses and clinical parameters (including preservation of insulin production) in the early stages of T1D ." . "Cefbuperazone is a second generation cephalosporin, belonging to the β-lactam class of antibacterial compounds." . "Cefotiam is a second generation cephalosporin, belonging to the β-lactam class of antibacterial compounds." . "Cefminox is a second generation cephalosporin, belonging to the β-lactam class of antibacterial compounds." . "This compound is a KRAS-SOS1 interaction inhibitor that was designed for potential to treat KRAS-driven cancers . It binds directly to SOS1 to disrupt the protein-protein interaction, and this action blocks guanine nucleotide exchange on KRAS and reduces KRAS activation." . "CaCCinh-A01 is an inhibitor (blocker) of the calcium-activated chloride channel (CaCC) ." . "MONNA is a small-molecule inhibitor of the calcium activated chloride channel (CaCC; ANO1) ." . "SRX246 is an orally bioavailable, selective vasopressin V1A receptor antagonist . Structurally it is a β-lactam derivative with an azetidone ring as its core pharmacophore. In rat studies it is able to cross the blood-brain barrier . In humans SRX246 blocks the actions of intranasal AVP on aggression/fear circuits (in a MRI study) ." . "Hetacillin is a β-lactam antimicrobial compound. It is an inactive prodrug that is converted to in vivo." . "Methicillin/meticillin, is a narrow-spectrum β-lactam antimicrobial compound that was discovered in 1960." . "Octpep-1 is a 12 amino acid peptide that's derived from an octopus venom molecule. It disrupts PI3K/AKT pathway signalling in melanoma cells and produces a cytotoxic effect that is selective for these cells compared to normal fibroblasts . Octpep-1 can induce an antiproliferative effect against aggressive and hard-to-treat melanoma cells that are driven by the BRAFV600E mutation . Although Octpep-1 appears to exhibit (very) weak agonist activity at tachykinin NK1 receptors, it's antiproliferative activity is independent of NK1R expression ." . "BJG-05-039 is a PROTAC that is designed to degrade PAK1 protein . It fuses the PAK1-selective (allosteric) inhibitor NVS-PAK1-1 , with the cereblon-binder . Inhibition of PAK1 reduces the growth and survival of PAK1-overexpressing malignancies in vivo . Targeted degradation is expected to produce the same effect." . "LLL12 is a STAT3 transcription factor inhibitor . It binds to the TF's SH2 domain and prevents its dimerisation and activation. LLL12 has antiproliferative/cytotoxic effects against cancer cells lines in vitro, and anti-tumour activity in in vivo xenograft models." . "TTI-101(formerly C188-9) is an orally bioavailable STAT3 transcription factor inhibitor. It blocks the tyrosine residue phosphorylation by Janus kinase (JAK) that mediates STAT3 activation, leading to downregulation of STAT3-mediated gene expression. This mechanism of action is considered as a valid approach for the treatment of inflammation, fibrosis, and a range of cancers ." . "KA2507 ia a clinical stage, selective and orally bioavailable HDAC6 inhibitor, that was designed for potential to treat advanced solid malignancies . This compound produces a direct antitumour effect, and it promotes an antitumour immune response." . "Avizakimab (BOS161721; Boston Pharmaceuticals) is a humanized anti-IL-21 antibody that inhibits IL-21 bioactivity. It was developed for potential to treat systemic lupus erythematosus (SLE), an auotimmune condition in which IL-21 is implicated as a driving factor . IL-21 has been explored as a therapeutic target in a range of autoimmune disease models (SLE, rheumatoid arthritis, type 1 diabetes and psoriasis). Peptide sequences for avizakimab are claimed in Boston Pharmaceuticals' patent US10022443B2 ." . "This compound is a PROTAC that targets the NAD+ synthesising enzyme nicotinamide phosphoribosyltransferase (NAMPT) to the ubiquitin-proteasome system for degradation . Its NAMPT-binding warhead (inhibitor M049-0244 ) is a fluorescent ligand that allows monitoring of degradation within cells, and it uses a VHL ligand to engage the E3 ligase. Reducing intracellular NAD+ levels is an approach that is exploited to inhibit the expansion of rapidly proliferating cancer cells." . "Mezlocillin is a broad-spectrum penicillin antimicrobial compound that is active against both Gram-negative and some Gram-positive bacteria." . "Sulbenicillin is a semisynthetic β-lactam antimicrobial compound. It is unclear if it is authorised for use in clinical practice." . "Metampicillin is a β-lactam antimicrobial compound. It is hydrolysed to in the acidic conditions within the stomach ." . "Pheneticillin is a β-lactam antimicrobial compound." . "Carindacillin is a semisynthetic β-lactam antimicrobial compound. It is a prodrug that is hydrolysed into ." . "This compound is an orally bioactive inhibitor of cyclin dependent kinase 2 (CDK2) . It is deuterated to improve its pharmacokinetic profile." . "This compound is an experimental allosteric inhibitor of EGFRL858R . It was designed for potential to overcome EGFRC797S-mediated resistance in non-small-cell lung cancers that are positive for the activating EGFRL858R mutation." . "BI-0474 is an inhibitor of the oncogenic protein KRASG12C . It was designed to target KRASG12C-driven tumours but it is not orally bioactive. Boehringer have an alternative orally bioavailable analogue (BI 1823911) from the same series as BI-0474, in clinical development (NCT04973163), but its structure has not been disclosed (Nov. 2022)." . "GDC-2394 is a potent NLRP3 inhibitor . It binds to an allosteric pocket in NLRP3's NACHT domain. GDC-2394 inhibits activated NLRP3 inflammasome-mediated production of IL-1β and IL-18 in vitro (IC50s 16 nM and 17 nM respectively, in human monocyte-derived macrophages), and orally administered GDC-2394 reduces inflammation in animal models." . "YTK-2205's chemical structure is claimed in patents as a sequestosome 1 (p62) agonist that may be useful for prevention or management of proteinopathies ." . "Valemetostat (DS-3201) is an orally bioavailable, S-adenosylmethionine (SAM)-competitive inhibitor of the histone methyltransferases enhancer of zeste homologue 1 and 2 (EZH1/EZH2) that are responsible for tri-methylation of lysine 27 on histone H3 (H3K27me3) by the polycomb repressive complex 2 (PRC2). H3K27me3 is an epigenetic modification that represses transcription of tumour suppressor and cell differentiation genes). Valemetostat was developed to target cancers with ongogenic defects that are driven by excessive activity of EZH1 and EZH2 ." . "Linzagolix (KLH-2109) is an orally bioavailable gonadotropin-releasing hormone (GnRH) receptor antagonist . It was developed for potential to downregulate the hypothalamic pituitary-gonadal axis to inhibit the driving force of LH and FSH on estrogen release, as a mechanism to combat the symptoms associated with endometriosis , heavy menstrual bleeding or uterine fibroids ." . "Pimitespib (TAS-116) is an orally bioavailable heat shock protein 90 α/β (HSP90α/β) inhibitor , that promotes proteasomal degradation of oncogenic HSP90 client proteins, and induces apoptosis of cells that overexpress (HSP90α/β). Reported to bind at the N-terminal ATP binding site of the target proteins . Pimitespib was developed for potential antineoplastic activity ." . "Desidustat (ZYAN1) is an orally bioavailable inhibitor of hypoxia-inducible factor prolyl hydroxylase (HIF-PH) enzymes (PHD1, PHD2, and PHD3; genes EGLN2, EGLN1 and EGLN3 respectively) . It was developed as a strategy to promote erythropoietin (EPO) synthesis and erythropoiesis by stabilising HIF-α transcription factors, as a mechanism to treat anemia associated with chronic diseases. Orally active HIF-PH inhibitors are being exploited as alternatives to injectable erythropoietin stimulating drugs, such as epoetin and darbepoetin, to treat anemia." . "Clazosentan is a selective endothelin receptor A (ETA) antagonist ." . "Chiglitazar (CS-038) is a synthetic small-molecule pan-agonist of peroxisome proliferator-activated receptors (PPARs) α, δ and γ . Structurally this is the S-enantiomer of carfloglitazar (the INN represents the racemic mixture; PubChem CID 9938010). Chiglitazar upregulates the expression of genes downstream of PPARα/δthat are involved in lipid metabolism and thermogenesis. 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_:ref1_12044 . "(2S)-1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine" . "2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]isoindole-1,3-dione" . "(Z)-7-[(1R,2R)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid" . "(Z,3R)-1-azabicyclo[2.2.2]oct-3-carbonimidoyl cyanide" . "2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamid" . "(E)-pent-2-enal" . "2-amino-3-(hydroxy-(phenoxy)phosphoryl)oxy-2-methylpropanoic acid" . "prop-2-enal" . "4-dodecan-6-ylbenzenesulfonic acid" . "N,2,3-trimethyl-2-propan-2-ylbutanamide" . "2-chloro-6-piperazin-1-ylpyrazine" . "2-[6-[2-(4-aminophenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol" . "3,6-dichloro-2-(4-methyl-2-propan-2-yloxyphenyl)chromen-4-one" . "4-(3H-imidazol-4-ylmethyl)pyridine" . "5-(2-aminoethyl)-4-methyl-1,3-thiazol-2-amine" . "6-[(piperidin-1-yl)carbonyl]quinoxaline" . "1-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]piperidine" . "5-[amino(carboxy)methyl]-4-methylthiophene-2-carboxylic acid" . "4-(1H-indole-3-carbonylamino)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid" . "Pyridine-3-carboxylic acid" . "5-methyl-4-oxo-5-phenylfuran-2-carboxylic acid" . "2-Methoxy-4-prop-2-enylphenol" . "6,7-dichloro-3-(hydroxyamino)-2H-indol-2-one" . "6,8-bis-sulfanyloctanoic acid" . "N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-1,3-benzodiazol-2-amine" . "3-(3-chlorophenyl)-1-(1-methyl-4-oxo-5H-imidazol-2-yl)urea" . "3-prop-2-enylsulfinylsulfanylprop-1-ene" . "(Z)-octadec-9-enamide" . "dimethylamine" . "N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide" . "2-hydroxypropane-1,2,3-tricarboxylic acid" . "2-Hydroxybutanedioic acid" . "5-[3-[3-[4-(phenoxy)-2-propylphenoxy]propoxy]phenyl]-1,3-thiazolidine-2,4-dione" . "6-[(2R)-2-[2-[4-(4-chlorophenoxy)piperidin-1-yl]ethyl]pyrrolidin-1-yl]sulfonyl-1H-indole" . "4-(3-ethoxypropyl)-3H-imidazole" . "4-[5-(4-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]pyridine" . "2-oxo-3-sulfanylpropanoic acid" . "[2-(2-aminophenyl)-1-hydroxy-1-phosphonoethyl]phosphonic acid" . "(5Z,8Z,11Z,14Z,16E,18R)-18-hydroxyicosa-5,8,11,14,16-pentaenoic acid" . "6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol" . "1,7,7-trimethylbicyclo[2.2.1]heptan-2-one" . "2-{6,12-dimethyl-4-thia-2,7,11,13-tetraazatricyclo[7.4.0.0^{3,7}]trideca-1(13),2,5,9,11-pentaen-5-yl}ethan-1-ol" . "1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine" . "1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one" . "4-fluoro-N-[2-[4-[(3S)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]piperazin-1-yl]ethyl]benzamide" . "(4aR,8aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrido[2,3-f]indazole" . "1-naphthalen-1-ylpiperazine" . "3-(2-aminoethyl)-1H-indole-5-carboxamide" . "3-(2-Aminoethyl)-1H-indol-5-o" . "oxiran-2-ylmethyl N-[2-(dimethyl-trimethylsilylsilyl)ethyl]carbamate" . "7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol" . "1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol" . "8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione" . "3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-di(phenyl)propan-2-ol" . "3-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrrolo[2,3-e]pyridin-5-one" . "2-(2-ethyl-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine" . "methyl 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylate" . "N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide" . "N-[4-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide" . "(2R)-2-(4-fluorophenyl)-2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]ethanol" . "(4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide" . "4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]aniline" . "1-[(6R)-6-(dipropylamino)-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),3,8(12),9-tetraen-9-yl]ethan-1-one" . "4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide" . "N-(6-dimethylamino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-4-fluorobenzamide" . "(2S,6S)-9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.0^{2,6}.0^{7,12}]octadeca-1(18),7,9,11,14,16-hexaene" . "5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole" . "4-fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide" . "N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]thiophene-2-carboxamide" . "1-(2,3-dihydro-1,4-benzodioxin-8-yl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine" . "N-[3-(2-dimethylaminoethoxy)-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide" . "5-(5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-3-[1-(2-phenylethyl)piperidin-4-yl]-1,3,4-oxadiazol-2-one" . "(8R)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carbonitrile" . "7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol" . "1-(2,3-dihydro-1,4-benzodioxin-8-yl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine" . "(9R)-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,13,15-hexaene-3,4-diol" . "7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-1,2,3,4-tetrahydroquinolin-2-one" . "8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione" . "1-[3-(dimethylamino)propyl]-3-ethyl-1-{[(2R,4R,7R)-6-(prop-2-en-1-yl)-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraen-4-yl]carbonyl}urea" . "2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine" . "6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaene" . "4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile" . "3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(2-phenylsulfonylethyl)-1H-indole" . "(3aS,9aS)-8-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole" . "3,3-diethyl-1-[(4S,7R)-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaen-4-yl]urea" . "N-[(1-butylpyrrolidin-2-yl)methyl]-4-cyano-1-methoxynaphthalene-2-carboxamide" . "N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide" . "3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,9-dimethylpyrido[2,1-b]pyrimidin-4-one" . "(2R)-1-(tert-butylamino)-3-thiochroman-8-yloxypropan-2-ol" . "(2R,4R,7R)-4-[(methylsulfanyl)methyl]-6-propyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene" . "2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine" . "2-[2-(4-benzo[b][1,5]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol" . "N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine" . "3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol" . "8-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one" . "1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide" . "(1R,2S,6R,7S)-4-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-4-azatricyclo[5.2.1.0^{2,6}]decane-3,5-dione" . "(2R)-1-(9H-carbazol-4-yloxy)-3-(1-fluoropropan-2-ylamino)propan-2-ol" . "3-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea" . "3-(4-hexoxy-1,2,5-thiadiazol-3-yl)-1-methyl-5,6-dihydro-2H-pyridine" . "(1R,2R,6S,7S,8S,11R)-4-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-4-azatetracyclo[5.4.2.0^{2,6}.0^{8,11}]trideca-9,12-diene-3,5-dione" . "5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one" . "(4S)-4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one" . "7-(dipropylamino)-4-fluoro-5,6,7,8-tetrahydronaphthalen-1-ol" . "(1S,6S,8S)-6-tert-butyl-3-azapentacyclo[11.8.1.0^{3,8}.0^{9,22}.0^{16,21}]docosa-9,11,13(22),16,18,20-hexaen-6-ol" . "(2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol" . "(2S)-1-(9H-carbazol-4-yloxy)-3-(1-fluoropropan-2-ylamino)propan-2-ol" . "3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]pyrimidin-4-one" . "4-iodo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide" . "N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-pyridin-4-ylbenzamide" . "(2R)-6-[(4-methoxyphenyl)sulfonylmethyl]-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine" . "2-(5-methoxy-2-phenyl-1H-indol-3-yl)-N,N-dimethylethanamine" . "(3R)-3-(di(cyclobutyl)amino)-8-fluorochroman-5-carboxamide" . "N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-nitrophenyl)cyclohexanecarboxamide" . "5-chloro-6-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylnaphthalen-1-yl)-2,3-dihydroindole-1-carboxamide" . "6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one" . "2-methyl-5-[2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethoxy]quinoline" . "methyl 4-[4-[4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butyl]piperazin-1-yl]-1H-indole-2-carboxylate" . "N-tert-butyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanamide" . "N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide" . "4-fluoro-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-N-(pyridin-2-yl)benzamide" . "(3R)-3-(di(cyclobutyl)amino)-8-fluoro-6-tritiochroman-5-carboxamide" . "3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine" . "10-(3-dimethylamino-2-methylpropyl)phenothiazine-2-carbonitrile" . "3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1H-benzimidazol-2-one" . "8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one" . "4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one" . "1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone" . "3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione" . "1-methyl-4-(8-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine" . "1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol" . "1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ylpiperidine-4-carboxamide" . "1-methyl-4-{6-thiatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene}piperidine" . "3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide" . "2-[4-[[(2R)-chroman-2-yl]methylamino]butyl]-1,1-dioxo-1,2-benzothiazol-3-one" . "3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]pyrimidin-4-one" . "6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[2,3-b]pyrimidin-5-one" . "1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one" . "2-methyl-4-nitro-5-[4-(phenylmethyl)piperazin-1-yl]aniline" . "4-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol" . "8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one" . "10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine" . "8-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione" . "methyl (1S,15R,18S,19R,20S)-18-hydroxy-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate" . "2-(8-chlorobenzo[b][1]benzothiepin-6-yl)oxy-N,N-dimethylethanamine" . "2-[(Z)-[(5-chlorothiophen-2-yl)-phenylmethylidene]amino]guanidine" . "3-hydroxybutan-2-yl 6,11-dimethyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxylate" . "(4R,7R)-N-[(1S,2R)-2-hydroxycyclopentyl]-6-methyl-11-(propan-2-yl)-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide" . "2-[[4-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]phenyl]methylideneamino]guanidine" . "2-chloro-11-methyl-11-azatricyclo[7.4.1.0^{5,14}]tetradeca-1,3,5(14)-triene" . "2-(5-nonoxy-1H-indol-3-yl)ethanamine" . "2-(5-methoxy-1H-indol-3-yl)ethanamine" . "5-fluoro-3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole" . "4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline" . "N-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]methanesulfonamide" . "3-(3-dimethylaminopropyl)-4-hydroxy-N-(4-pyridin-4-ylphenyl)benzamide" . "3-[3-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole" . "1-[3-(Trifluoromethyl)phenyl]piperazine" . "N-[[(2R)-chroman-2-yl]methyl]-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine" . "5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-(tritritiomethyl)pyrrolidin-2-yl]methyl]-1H-indole" . "1-[3-[2-[bis(tritritiomethyl)amino]ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide" . "N-[[(2R)-chroman-2-yl]methyl]-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine" . "(2R,4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide" . "3-[2-(dipropylamino)ethyl]-1H-indole-5-carboxamide" . "[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-yl]methanol" . "2-[[4-[(3-hydroxy-4-propanoyl-2-propylphenyl)methoxy]phenyl]methylideneamino]guanidine" . "3-hydroxybutan-2-yl (2R,4R,7R)-6-methyl-11-(propan-2-yl)-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxylate" . "3-hydroxybutan-2-yl 6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxylate" . "(R)-(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol" . "6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol" . "2-(1H-INDOL-3-YL)ETHANAMINE" . "(2S)-N-tert-butyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanamide" . "(2S)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol" . "6-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol" . "N-[4-[(3aR,9bS)-8-cyano-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]butyl]-4-phenylbenzamide" . "[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone" . "N-[4-methoxy-3-[4-(tritritiomethyl)piperazin-1-yl]phenyl]-3-methyl-4-pyridin-4-ylbenzamide" . "4-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-indole-2-carbonitrile" . "benzyl N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-yl]methyl]carbamate" . "(4R,7R)-N-[(2S)-1-hydroxybutan-2-yl]-6,11-dimethyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide" . "2-[(E)-({3-[(4-benzoylphenyl)methoxy]phenyl}methylidene)amino]guanidine" . "5-methyl-2,5-diazatetracyclo[13.4.0.0^{2,7}.0^{8,13}]nonadeca-1(19),8,10,12,15,17-hexaene" . "methyl (1S,15S,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate" . "(9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid" . "2-(1H-indol-3-yl)-N,N-dimethylethanamine" . "1-(3-Chlorophenyl)piperazine" . "N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]quinoline-4-carboxamide" . "3-(2-dimethylaminoethyl)-1H-indol-5-ol" . "2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine" . "2-(5-fluoro-1H-indol-3-yl)ethanamine" . "(6aR,9R)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide" . "(4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide" . "1-{6,11-dimethyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraen-4-yl}-N,N-dimethylmethanesulfonamide" . "(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide" . "4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide" . "3-(2-aminopropyl)-1H-indol-5-ol" . "(4S,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide" . "1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine" . "(2R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine" . "2-[5-methoxy-1-(propan-2-yl)-1H-indol-3-yl]ethan-1-amine" . "2-(1-propan-2-ylindol-3-yl)ethanamine" . "(2S)-1-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)propan-2-amine" . "1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine" . "1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine" . "1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine" . "(2S)-1-(6-chloro-5-fluoroindol-1-yl)propan-2-amine" . "2-[1-[2-(2,3-dihydro-1,4-benzodioxin-8-yloxy)ethyl]pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone" . "(2S)-1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine" . "1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine" . "1-[6-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine" . "(3S)-3-[(5-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]pyrrolidine" . "2-piperazin-1-ylquinoline" . "2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)acetamide" . "8-[3-(4-fluorophenoxy)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one" . "phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol" . "N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamide" . "4-(4-fluoronaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine" . "1-methyl-N-pyridin-3-yl-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide" . "6-chloro-5-methyl-N-quinolin-5-yl-2,3-dihydroindole-1-carboxamide" . "5-methylsulfanyl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide" . "N-(3-fluoro-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide" . "6-chloro-5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide" . "5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide" . "8-[4-(4-fluorophenyl)-4-oxobutyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one" . "3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione" . "N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide" . "(6aR,9R,10aR)-N-cyclohexyl-7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide" . "dimethyl({3-[(2E)-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene]propyl})amine" . "8-chloro-6-piperazin-1-ylbenzo[b][1,5]benzoxazepine" . "(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine" . "N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine" . "2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol" . "8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,5]benzoxazepine" . "(6aR,9S,10aR)-9-(dimethylsulfamoylamino)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline" . "3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one" . "3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine" . "2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol" . "4-[1-dimethylamino-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid" . "(9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide" . "2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,5-a]pyridin-3-one" . "10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine" . "1-[3-(trifluoromethyl)phenyl]propan-2-amine" . "(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-amine" . "(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine" . "3-(2-Aminoethyl)-2-methyl-1H-indol-5-ol" . "(6aR,9R)-N,N-diethyl-7-(tritritiomethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide" . "1-(1-methylindol-5-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea" . "methyl (1S,15S,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate" . "N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide" . "N-[(1-butylpiperidin-4-yl)methyl]-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carboxamide" . "1-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-pentylguanidine" . "(11R,15R)-7,10-diazatetracyclo[8.5.1.0^{5,16}.0^{11,15}]hexadeca-1,3,5(16)-triene" . "(2S)-1-(7-ethylfuro[2,3-g]indazol-1-yl)propan-2-amine" . "33-ethyl-N-[(5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxobenzimidazole-1-carboxamide" . "N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide" . "2-piperidin-1-ylethyl 4-amino-5-chloro-2-methoxybenzoate" . "[1-[3-(2,3-dihydro-1,4-benzodioxin-7-yl)propyl]piperidin-4-yl]methyl 4-amino-5-chloro-2-methoxybenzoate" . "1-(4-amino-5-chloro-2-methoxyphenyl)-3-(1-butylpiperidin-4-yl)propan-1-one" . "4-amino-5-chloro-N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]-2-methoxybenzamide" . "[1-[3-(2,3-dihydro-1,4-benzodioxin-7-yl)propyl]piperidin-4-yl]methyl 4-amino-5-chloro-2-methoxybenzoate" . "4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide" . "4-amino-5-chloro-N-(2-diethylaminoethyl)-2-methoxybenzamide" . "4-amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide" . "3-(2-amino-1,1,2,2-tetratritioethyl)-1H-indole-5-carboxamide" . "3-cyclopentyl-N-(2-dimethylaminoethyl)-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]propanamide" . "4-amino-5-chloro-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide" . "4-amino-N-[(5S,6S)-1-azabicyclo[3.3.1]nonan-6-yl]-5-chloro-2-methoxybenzamide" . "4-amino-N-(1-azabicyclo[2.2.2]octan-8-yl)-5-chloro-2-methoxybenzamide" . "(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 6-methoxy-2-oxo-3H-benzimidazole-1-carboxylate" . "[1-(2-methanesulfonamidoethyl)piperidin-4-yl]methyl 1-methylindole-3-carboxylate" . "[1-(2-methanesulfonamidoethyl)piperidin-4-yl]methyl 5-fluoro-2-methoxy-1H-indole-3-carboxylate" . "2-(3,5-dimethylpiperidin-1-yl)ethyl 4-amino-5-chloro-2-methoxybenzoate" . "1-(5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-3-[1-[3-(3,4-dimethoxyphenyl)propyl]piperidin-4-yl]propan-1-one" . "(1-butylpiperidin-4-yl)methyl 2,3-dihydro-1,4-benzodioxine-8-carboxylate" . "N-[(1-butylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide" . "3-piperidin-1-ylpropyl 4-amino-5-chloro-2-methoxybenzoate" . "2-piperidin-1-ylethyl 1H-indole-3-carboxylate" . "(1-butylpiperidin-4-yl)methyl 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate" . "(1-butylpiperidin-4-yl)methyl 5-amino-6-iodo-2,3-dihydro-1,4-benzodioxine-8-carboxylate" . "2-diethylaminoethyl 4-amino-5-chloro-2-methoxybenzoate" . "[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 1-(tritritiomethyl)indole-3-carboxylate" . "[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate" . "(4R,7R)-N,N-diethyl-10-(125I)iodo-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide" . "2-[5-(phenylmethoxy)-1H-indol-3-yl]ethanamine" . "7-[4-[4-(2,3-dichloro-4-hydroxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one" . "7-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propoxy]-1H-quinolin-2-one" . "2-[(6aR,9S,10aR)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]acetonitrile" . "(6aR,9R)-5-bromo-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide" . "N,N-dimethyl-2-(3-phenylquinolin-2-yl)sulfanylethanamine" . "4-amino-N-[2,6-bis(methylamino)pyrimidin-4-yl]benzenesulfonamide" . "4-amino-N-[2,6-bis(methylamino)pyridin-4-yl]benzenesulfonamide" . "5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)-3-methyl-1-benzothiophene-2-sulfonamide" . "1-methyl-4-{tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ylidene}piperidine" . "N-[7-benzyl-2-hydroxy-5,8-dioxo-4-(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide" . "3-fluoro-6-(4-methylpiperazin-1-yl)-11H-benzo[c][1]benzazepine" . "1-(2-Methoxyphenyl)piperazine" . "N,3-dimethyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide" . "N-[2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide" . "3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[2,1-b]pyrimidin-4-one" . "2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane" . "(3S)-3-(acetyloxy)-1-azabicyclo[2.2.2]octan-1-ium" . "(2R)-2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane" . "1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-diphenylacetate" . "[(8R)-1-azoniabicyclo[2.2.2]octan-8-yl] acetate" . "4-(4-butylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one" . "4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl-trimethylazanium chloride" . "8-[4-(3-phenylprop-2-ynoxy)-1,2,5-thiadiazol-3-yl]-1-azabicyclo[2.2.2]octane" . "8-[4-[3-[4-[3-[[4-(1-azabicyclo[2.2.2]octan-8-yl)-1,2,5-thiadiazol-3-yl]oxy]prop-1-ynyl]phenyl]prop-2-ynoxy]-1,2,5-thiadiazol-3-yl]-1-azabicyclo[2.2.2]octane" . "8-[4-[3-[3-[3-[[4-(1-azabicyclo[2.2.2]octan-8-yl)-1,2,5-thiadiazol-3-yl]oxy]prop-1-ynyl]phenyl]prop-2-ynoxy]-1,2,5-thiadiazol-3-yl]-1-azabicyclo[2.2.2]octane" . "2-acetyloxyethyl-trimethylazanium" . "prop-2-ynyl 1-methyl-5,6-dihydro-2H-pyridine-3-carboxylate" . "methyl 1-methyl-5,6-dihydro-2H-pyridine-3-carboxylate" . "2-carbamoyloxypropyl-trimethylazanium" . "2-carbamoyloxyethyl-trimethylazanium" . "furan-2-ylmethyl-trimethylazanium" . "trimethyl-[(5-methylfuran-2-yl)methyl]azanium" . "N-methoxy-1-(1-methyl-5,6-dihydro-2H-pyridin-3-yl)methanimine" . "1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one" . "trimethyl-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]azanium" . "1-methyl-3-(4-pentylsulfanyl-1,2,5-thiadiazol-3-yl)-5,6-dihydro-2H-pyridine" . "(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one" . "(1,1-dimethylpiperidin-1-ium-4-yl) 2,2-di(phenyl)acetate" . "cyclohexyl-(4-fluorophenyl)-hydroxy-(3-piperidin-1-ylpropyl)silane" . "11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one" . "cyclohexyl-hydroxy-phenyl-(3-piperidin-1-ylpropyl)silane" . "(1R,2R,4S,5S)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-9-ium" . "(1R,2R,4S,5S)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-9-ium" . "2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-di(phenyl)acetamide" . "[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate" . "2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-di(phenyl)acetamide" . "1-cyclohexyl-1-phenyl-4-piperidin-1-ylbutan-1-ol" . "1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol" . "(1S,3aS,4aR,8aS,9R,9aR)-9-[(E)-2-[(2R,6S)-1,6-dimethylpiperidin-2-yl]ethenyl]-1-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-naphtho[3,2-c]furan-3-one" . "(8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate" . "[2-hydroxy-6-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptyl]-trimethylazanium" . "N,N'-bis[6-[(2-methoxyphenyl)methylamino]hexyl]octane-1,8-diamine" . "11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one" . "6-[dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azanium" . "methyl-di(propan-2-yl)-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium" . "(1R,2R,4S,5S,7S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate" . "cyclohexyl-[(4,4-dimethylpiperazin-4-ium-1-yl)methyl]-hydroxy-phenylsilane" . "(1S,11S,18S,20R,21R,22S)-17-benzyl-4,5-dimethoxy-9-oxo-12-oxa-8,17-diazaheptacyclo[15.5.2.0^{1,18}.0^{2,7}.0^{8,22}.0^{11,21}.0^{15,20}]tetracosa-2(7),3,5,14-tetraen-17-ium" . "3-chloro-6-piperazin-1-yl-5H-benzo[c][1,5]benzodiazepine" . "4-[3-(4-butylpiperidin-1-yl)propyl]-7-fluoro-1,4-benzoxazin-3-one" . "hexyl (15R,16R,18S)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1(26),2(6),7(27),8,10,12,20,22,24-nonaene-16-carboxylate" . "methyl (15S,16R,18R)-16-methoxy-4,15-dimethyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1(26),2(6),7(27),8,10,12,20,22,24-nonaene-16-carboxylate" . "(3S,4S,7S,8R,11S,12R,15S)-8-ethynyl-3,7-dimethyl-18,20,27-triazaheptacyclo[15.11.0.0^{3,15}.0^{4,12}.0^{7,11}.0^{19,27}.0^{21,26}]octacosa-1(28),17,19,21,23,25-hexaen-8-ol" . "(1S,9Z,11S,13S,17S,25Z,27S,33S,35S,38S)-28,37-bis(2-hydroxyethylidene)-14,30-bis(prop-2-en-1-yl)-8,14,24,30-tetraazaundecacyclo[25.5.2.2^{11,14}.1^{1,8}.1^{10,17}.0^{2,7}.0^{13,17}.0^{18,23}.0^{30,33}.0^{24,35}.0^{26,38}]octatriaconta-2,4,6,9,18,20,22,25-octaene-14,30-diium" . "(1R,11S,18S,20R,21R,22S)-4,5-dimethoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0^{1,18}.0^{2,7}.0^{8,22}.0^{11,21}.0^{15,20}]tetracosa-2(7),3,5,14-tetraen-9-one" . "(1S,11S,17R,18S,20R,21R,22S)-4,5-dimethoxy-9-oxo-12-oxa-8,17-diazaheptacyclo[15.5.2.0^{1,18}.0^{2,7}.0^{8,22}.0^{11,21}.0^{15,20}]tetracosa-2(7),3,5,14-tetraen-17-ium-17-olate" . "(1S,11S,18S,20R,21R,22S)-17-(chloromethyl)-4,5-dimethoxy-9-oxo-12-oxa-8,17-diazaheptacyclo[15.5.2.0^{1,18}.0^{2,7}.0^{8,22}.0^{11,21}.0^{15,20}]tetracosa-2(7),3,5,14-tetraen-17-ium" . "(2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8,10,12,14(28),15(19),20(27),21,23,25-nonaen-16-one" . "(1R,11S,18S,20R,21R,22S)-12-oxa-8,17-diazaheptacyclo[15.5.2.0^{1,18}.0^{2,7}.0^{8,22}.0^{11,21}.0^{15,20}]tetracosa-2,4,6,14-tetraen-9-one" . "methyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.0^{2,7}.0^{8,18}.0^{15,19}]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate" . "2-(4-cyclohexylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)sulfinylphenyl]acetonitrile" . "(1-methyl-1-azoniabicyclo[2.2.2]octan-8-yl) 2-hydroxy-2,2-di(phenyl)acetate" . "(1-methylpiperidin-4-yl) 2-hydroxy-2,2-di(phenyl)acetate" . "(3S)-3-phenyl-3-[1-(phenylmethyl)piperidin-4-yl]piperidine-2,6-dione" . "2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate" . "(2R,3R,4S,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol" . "2-[2,6-bis(2-triethylazaniumylethoxy)phenoxy]ethyl-triethylazanium" . "3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine" . "(3R)-3-phenyl-3-[1-(phenylmethyl)piperidin-4-yl]piperidine-2,6-dione" . "4-diethylaminobut-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate" . "2-[(1R)-3-(di(propan-2-yl)amino)-1-phenylpropyl]-4-methylphenol" . "11-[2-[6-[methyl-[8-[methyl-[6-[[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]hexyl]amino]octyl]amino]hexyl-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one" . "3-(1,3-dioxoisoindol-2-yl)propyl-[6-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]hexyl]-dimethylazanium" . "2-[[[1-[3-[4-[(Z)-(1,3-dioxoisoindol-2-yl)methoxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]methylideneamino]oxymethyl]isoindole-1,3-dione" . "6-[dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azanium" . "(1-methyl-1-azoniabicyclo[2.2.2]octan-8-yl) 2-hydroxy-2,2-di(phenyl)acetate" . "(1R,2R,4S,5S)-7-{[2-hydroxy-2,2-bis(thiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-9-ium" . "N-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide" . "(2R,3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol" . "(2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide" . "(2R,3R,4S,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol" . "3-[4-[2-[[6-amino-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid" . "2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-(4-hydroxy-phenyl)-pyridine-3,5-dicarbonitrile" . "(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide" . "(2S,3S,4R,5R)-5-[6-amino-2-(2-phenylethynyl)-9H-purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide" . "(2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol" . "N-(3,4-dichlorophenyl)-2-{[5-(2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl]oxy}acetamide" . "8-{1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-1H-pyrazol-5-yl}-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione" . "N-(3,4-dimethylphenyl)-2-{[5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl]oxy}acetamide" . "9-chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine" . "8-cyclopentyl-1,3-dimethyl-7H-purine-2,6-dione" . "8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione" . "2-(1-methylpiperidin-4-yl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one" . "1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione" . "3-[2-(4-aminophenyl)ethyl]-7-[2-(ethyl-(2-hydroxyethyl)amino)ethyl]-8-(phenylmethyl)-1-propylpurine-2,6-dione" . "N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yl]oxy}acetamide" . "3,5,7-triethoxy-2-phenylchromen-4-one" . "2-phenyl-3,5,7-tripropoxychromen-4-one" . "3-hydroxy-6-methoxy-2-phenyl-2-(2-phenylethynyl)chroman-4-one" . "4-methoxy-7-[(E)-2-phenylethenyl]pyrano[3,2-f][1]benzoxol-5-one" . "4-ethoxy-7-[(E)-2-phenylethenyl]pyrano[3,2-f][1]benzoxol-5-one" . "7-[(E)-2-phenylethenyl]-4-propoxypyrano[3,2-f][1]benzoxol-5-one" . "2-(2,4-diethoxyphenyl)-3,5,7-triethoxychromen-4-one" . "3,7-diethoxy-5-hydroxy-2-phenylchromen-4-one" . "3-chloro-2-phenylchromen-4-one" . "2-(2,4-dimethoxyphenyl)-3,5,7-trimethoxychromen-4-one" . "3,5,7-trimethoxy-2-phenylchromen-4-one" . "4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-7-amine" . "N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide" . "4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenol" . "8-cyclopentyl-1,3-bis(1,3-ditritiopropyl)-7H-purine-2,6-dione" . "1,3,7-trimethylpurine-2,6-dione" . "2-Phenylchroman-4-one" . "2-phenylchromen-4-one" . "3,5,7-trihydroxy-2-phenylchromen-4-one" . "2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one" . "(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychroman-4-one" . "1,3-dimethyl-7H-purine-2,6-dione" . "(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-1-phenylpropan-2-yl]amino]purin-9-yl]oxolane-3,4-diol" . "(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2S)-1-phenylpropan-2-yl]amino]purin-9-yl]oxolane-3,4-diol" . "(2S,3S,4R,5R)-5-[6-[(4-aminophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide" . "(2R,3R,4S,5R)-2-[6-[[2-(3,5-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol" . "2-[6-amino-2-(4-methoxyphenyl)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol" . "(2R,3R,4S,5R)-2-[6-amino-2-(phenylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol" . "(2S,3S,4R,5R)-3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]-N-methyloxolane-2-carboxamide" . "(2R,3R,4S,5R)-2-[6-(cyclohexylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol" . "3-[4-[2-[[6-amino-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid" . "(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide" . "(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(2-methylphenyl)methylamino]purin-9-yl]oxolane-3,4-diol" . "1,3-dipropyl-7H-purine-2,6-dione" . "8-(3,4-dimethoxyphenyl)-7-methyl-1,3-dipropylpurine-2,6-dione" . "3,6-dichloro-2-phenylchromen-4-one" . "4-(2-{[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino}ethyl)-2-(125I)iodophenol" . "4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-7-amine" . "N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide" . "4-methoxy-7-methylpyrano[3,2-f][1]benzoxol-5-one" . "N'-[6-anilino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-ethyloxamide" . "(2S,3S,4R,5R)-5-[6-({[4-amino-3-(125I)iodophenyl]methyl}amino)-9H-purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide" . "2-[6-[2-(4-aminophenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol" . "O3-[3-[4,4-di(phenyl)piperidin-1-yl]propyl] O5-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate" . "[(5Z)-5-(2,6-dioxo-1,3-dipropylpurin-8-ylidene)-1-methyl-2H-pyrazol-3-yl] 2-[(3,4-dimethoxyphenyl)amino]acetate" . "N-[(5Z)-5-(2,6-dioxo-1,3-dipropylpurin-8-ylidene)-1-methyl-2H-pyrazol-3-yl]-2-[4-(phenylmethoxy)phenyl]acetamide" . "N-(1,3-benzodioxol-5-yl)-2-[[(5Z)-5-(2,6-dioxo-1,3-dipropylpurin-8-ylidene)-2H-1,2-oxazol-3-yl]oxy]acetamide" . "ethyl 4-[[2-[[(5Z)-5-(2,6-dioxo-1,3-dipropylpurin-8-ylidene)-1-methyl-2H-pyrazol-3-yl]oxy]acetyl]amino]benzoate" . "4-[[2-[[(5Z)-5-(2,6-dioxo-1,3-dipropylpurin-8-ylidene)-1-methyl-2H-pyrazol-3-yl]oxy]acetyl]amino]benzoic acid" . "(8Z)-8-[2-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-1H-pyrazol-3-ylidene]-1,3-di(prop-2-enyl)purine-2,6-dione" . "(E)-3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]prop-2-enoic acid" . "8-cyclohexyl-1,3-di(prop-2-enyl)-7H-purine-2,6-dione" . "1,3-diethyl-8-phenyl-7H-purine-2,6-dione" . "2-[4-[3-[(4-amino-3-iodophenyl)methyl]-2,6-dioxo-1-propyl-7H-purin-8-yl]phenoxy]acetic acid" . "3-(2-methylpropyl)-8-pyrrolidin-1-yl-7H-purine-2,6-dione" . "N-(9-chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-2-phenylacetamide" . "N-(4-cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide" . "N-[2-[[2-phenyl-6-[4-(3-phenylpropyl)piperazine-1-carbonyl]-7H-pyrrolo[3,2-e]pyrimidin-4-yl]amino]ethyl]acetamide" . "2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetic acid" . "2-[4-[3-[(4-amino-3-iodophenyl)methyl]-2,6-dioxo-1-propyl-7H-purin-8-yl]phenoxy]acetic acid" . "N-(4-cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide" . "N-[2-[[2-phenyl-6-[4-(3-phenylpropyl)piperazine-1-carbonyl]-7H-pyrrolo[3,2-e]pyrimidin-4-yl]amino]ethyl]acetamide" . "4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]-2-tritiophenol" . "1H-Benzo[g]pteridine-2,4-dione" . "(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide" . "(2R,3R,4S,5R)-2-[6-[(4-amino-3-iodophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol" . "3-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(12),2,4,7,9-pentaen-7-yl]-1-(4-methoxyphenyl)urea" . "(2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-[6-[(4-methoxyphenyl)methylamino]purin-9-yl]oxolane-2-carboxamide" . "3,5-diethyl 2-methyl-6-phenyl-4-[(E)-2-phenylethenyl]-1,4-dihydropyridine-3,5-dicarboxylate" . "N-(9-chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)benzamide" . "N-(9-chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)propanamide" . "O3-ethyl O5-(phenylmethyl) 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate" . "ethyl 4,6-diethyl-5-ethylsulfanylcarbonyl-2-phenylpyridine-3-carboxylate" . "ethyl 4-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-6-propylpyridine-3-carboxylate" . "propyl 2-(3-chlorophenyl)-4,6-diethyl-5-propylsulfanylcarbonylpyridine-3-carboxylate" . "propyl 6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propylpyridine-3-carboxylate" . "4-methoxy-N-(2-pyridin-2-ylquinazolin-4-yl)benzamide" . "N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide" . "3-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(12),2,4,7,9-pentaen-7-yl]-1-(4-methoxyphenyl)urea" . "4-[(1R)-1-hydroxy-2-methylaminoethyl]benzene-1,2-diol" . "N-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide" . "N-[3-[(1R)-2-amino-1-hydroxyethyl]-4-fluorophenyl]methanesulfonamide" . "2-[[2-(4-hydroxy-2-iodophenyl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-one" . "2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol" . "4-(2-amino-1-hydroxyethyl)benzene-1,2-diol" . "N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine" . "2-[[2-(4-hydroxy-3-iodophenyl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-one" . "(2S)-2-amino-5-(carbamoylamino)pentanoic acid" . "3-[(1R)-1-hydroxy-2-methylaminoethyl]phenol" . "[(4aR,8aS)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-furan-2-ylmethanone" . "O3-[3-[4,4-di(phenyl)piperidin-1-yl]propyl] O5-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate" . "5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide" . "6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3,5-trimethylpyrimidine-2,4-dione" . "3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-phenyl-1H-thieno[3,2-e]pyrimidine-2,4-dione" . "3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-(3-methylphenyl)-1H-thieno[3,2-e]pyrimidine-2,4-dione" . "1-(3-hydroxypropyl)-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindole-7-carboxamide" . "1-(5-chloro-1H-indol-3-yl)-N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-2-methylpropan-2-amine" . "N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide" . "3-[3-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-5-methyl-1H-pyrimidine-2,4-dione" . "methyl (4R)-5-[3-[4,4-di(phenyl)piperidin-1-yl]propylcarbamoyl]-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate" . "N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzamide" . "3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphenyl)amino]phenol" . "[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-furan-2-ylmethanone" . "4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol" . "phenylmethyl (2S)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2-(tert-butylcarbamoyl)piperazine-1-carboxylate" . "4-[(1R,2S)-2-amino-1-hydroxypropyl]benzene-1,2-diol" . "4-(1-hydroxy-2-methylaminoethyl)benzene-1,2-diol" . "4-(2-amino-1-hydroxyethyl)-5-fluorobenzene-1,2-diol" . "8-methoxy-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine" . "N-(4,5-dihydro-1H-imidazol-2-yl)-2-methylindazol-4-amine" . "N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine" . "N-[3-(1-hydroxy-2-methylaminoethyl)phenyl]methanesulfonamide" . "2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole" . "N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine" . "2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole" . "2-bromo-7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.0^{4,13}]trideca-1,4,6,8(13)-tetraene" . "5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine" . "2-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetic acid" . "ethyl 2-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate" . "4-[(1S)-1-(2,3-dimethylphenyl)ethyl]-3H-imidazole" . "N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide" . "N-(2,6-Dimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine" . "2-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-4,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,3-dione" . "2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-1,3-dihydroisoindole" . "2-(2-methoxy-3H-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole" . "2-(2-methoxy-3H-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole" . "4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one" . "4-[3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one" . "4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]benzene-1,2-diol" . "4-[(1R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]phenol" . "4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol" . "4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol" . "4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol" . "N-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide" . "4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-iodo-1H-indole-2-carbonitrile" . "2-hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]propyl]amino]ethoxy]benzamide" . "1-[4-(2-methoxyethoxy)phenoxy]-3-(propan-2-ylamino)propan-2-ol" . "(2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol" . "1-[2-[[3-[2-cyano-4-[2-(cyclopropylmethoxy)ethoxy]phenoxy]-2-hydroxypropyl]amino]ethyl]-3-(4-hydroxyphenyl)urea" . "1-[4-(3-hydroxypropyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol" . "1-(phenoxy)-3-(propan-2-ylamino)propan-2-ol" . "(2S)-1-(2-ethylphenoxy)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-ol" . "2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide" . "1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol" . "N-[(4-dimethylaminophenyl)methyl]-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide" . "(2S)-2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-3-(1H-indol-3-yl)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide" . "(2S)-3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide" . "8-[(1S,5R,6S)-6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-1-cyclohex-2-enyl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one" . "1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol" . "1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol" . "1-[4-[2-(cyclopropylmethoxy)ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol" . "1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol" . "(2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol" . "N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide" . "(1R,2S)-2-methylamino-1-phenylpropan-1-ol" . "5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol" . "4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol" . "(2S)-2,5-diamino-5-oxopentanoic acid" . "2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol" . "5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol" . "4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-iodo-1H-indole-2-carbonitrile" . "1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol" . "1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol" . "(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol" . "1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol" . "5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one" . "1-(tert-butylamino)-3-thiochroman-8-yloxypropan-2-ol" . "(2S)-N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-fluorophenyl)methyl]-2-[(1R)-1-naphthalen-1-yl-3,4-dihydro-1H-isoquinolin-2-yl]propanamide" . "(2S)-2-acetamido-N-[(3S,9S,12S,15R,18S)-15-(cyclohexylmethyl)-9-[3-(diaminomethylideneamino)propyl]-12-(1H-indol-3-ylmethyl)-2,8,11,14,17-pentaoxo-1,7,10,13,16-pentazabicyclo[16.3.0]henicosan-3-yl]-3-phenylpropanamide" . "2-methyl-1-[3-phenyl-4-(2-phenylethoxy)phenyl]guanidine" . "(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(3H-imidazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid" . "2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid" . "2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid" . "4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid" . "2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one" . "N-[1-[[1-[[1-[[2-[[1-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[1-[3-methyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoyl]pyrrolidine-2-carbonyl]amino]pentanediamide" . "[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol" . "(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate" . "2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid" . "(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid" . "(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-[[(2S)-5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-[[(2S)-3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoyl]amino]hexanoyl]amino]-3-(3H-imidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid" . "1-[(4-amino-3-methylphenyl)methyl]-5-[2,2-di(phenyl)acetyl]-6,7-dihydro-4H-imidazo[5,4-d]pyridine-6-carboxylic acid" . "(6S)-1-[(4-dimethylamino-3-methylphenyl)methyl]-5-[2,2-di(phenyl)acetyl]-6,7-dihydro-4H-imidazo[5,4-d]pyridine-6-carboxylic acid" . "2-[[1-[2-[[2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[(2-methylaminoacetyl)amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(3H-imidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid" . "tert-butyl 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate" . "(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid" . "(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid" . "(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid" . "(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid" . "2-[(2-aminoacetyl)amino]-N-[1-[[1-[[1-[[1-[[2-[[1-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]butanediamide" . "(2S)-2,6-diaminohexanoic acid" . "(2S)-3-(1H-indol-3-yl)-N-[[1-(5-methoxypyridin-2-yl)cyclohexyl]methyl]-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide" . "(2R)-2-[[(4-chlorophenyl)amino]carbamoylamino]-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide" . "(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid" . "(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid" . "(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid" . "(2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[(2-methylaminoacetyl)amino]pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid" . "(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid" . "(2S)-2,5-diaminopentanoic acid" . "2-[[1-[2-[[2-[[2-[[1-[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid" . "(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid" . "(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid" . "(2S,4S)-2-[[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl]-[(2R,4S)-4-propoxypyrrolidine-2-carbonyl]amino]-2-[1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidin-2-yl]-4-(diaminomethylideneamino)-1-oxobutan-2-yl]-5-hydroxy-4-[[(2S)-2-[[2-[[(2S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopentanoic acid" . "[1-[4-[2,2-di(phenyl)ethylamino]-3-(morpholine-4-carbonyl)phenyl]sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone" . "N-[(4-chlorophenyl)methyl]-2-[[2-[(3-chlorophenyl)methylamino]-6-imidazol-1-ylpyrimidin-4-yl]amino]-3-cyclohexylpropanamide" . "(2R)-2-[[(3R)-3-(1,3-benzodioxol-5-yl)-3-[(6-methoxynaphthalen-2-yl)sulfonylamino]propanoyl]amino]-3-[4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]-N-methyl-N-propan-2-ylpropanamide" . "(3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(4R)-7-(piperidin-1-ylmethyl)chroman-4-yl]propanamide" . "2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide" . "1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]urea" . "N-[(2R)-1-[[(2S)-6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide" . "(2S)-2-amino-3-hydroxypropanoic acid" . "(3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline" . "(N-(N-(D-arginyl-DL-arginyl-DL-prolyl-(4R)-4-hydroxy-DL-prolyl-glycyl-3-(2-thienyl)-L-alanyl-L-seryl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)-(3aS,7aS)-octahydroindole-2-carbonyl)-L-arginine" . "4-[(E)-3-[[2-[[2,4-dichloro-3-[[2-methyl-4-(pyridin-2-ylmethoxy)quinolin-8-yl]oxymethyl]phenyl]-methylamino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide" . "(E)-3-(6-acetamidopyridin-3-yl)-N-[2-[[2,4-dichloro-3-[[2-methoxy-1-(pyridin-2-ylmethyl)benzimidazol-4-yl]oxymethyl]phenyl]-methylamino]-2-oxoethyl]prop-2-enamide" . "(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-methoxyphenyl)propyl]amino]-5-(diaminomethylideneamino)pentanoic acid" . "4-[(E)-3-[[2-[[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-methylamino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylbenzamide" . "(E)-3-(6-acetamidopyridin-3-yl)-N-[2-[[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-methylamino]-2-oxoethyl]prop-2-enamide" . "(2R)-3-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-2-[[(2S)-2-amino-3-thiophen-2-ylpropanoyl]-[(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)-2-[2-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]pentanoic acid" . "(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid" . "tributyl-[[4-[[(2S)-2-[(N,N'-dicyclohexylcarbamimidoyl)amino]-3-naphthalen-2-ylpropanoyl]amino]phenyl]methyl]phosphanium chloride" . "(2S)-N-[3-[(4-carbamimidoylbenzoyl)amino]propyl]-1-[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carboxamide" . "(2S)-N-[2-(2-dimethylaminoethyl-methylamino)ethyl]-1-[4-[2-[di(phenyl)methylcarbamothioyl]hydrazinyl]-3-nitrophenyl]sulfonylpyrrolidine-2-carboxamide" . "(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid" . "octadecanoic acid" . "N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide" . "(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol" . "N,N'-bis(3-aminopropyl)butane-1,4-diamine" . "3-{[(2R)-2-[(1R)-2-{[1-(1-benzothiophen-2-yl)-2-methylpropan-2-yl]amino}-1-hydroxyethyl]pyrrolidin-1-yl]methyl}benzonitrile" . "2-chloro-6-[(2R)-2-hydroxy-3-[(2S)-2-(phenylmethyl)pyrrolidin-1-yl]propoxy]benzonitrile" . "(2E)-5-ethyl-3-[2-(2-fluorophenyl)ethyl]-6-methyl-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrimidin-4-one" . "4-chloro-N-[(1S,2S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide" . "4-methoxy-N-[(1R,2R)-2-{[1-(naphthalen-1-yl)ethyl]amino}cyclohexyl]benzene-1-sulfonamide" . "2-chloro-6-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]benzonitrile" . "(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid" . "3-(2-chlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-1-amine" . "(1R)-N-(1H-indol-2-ylmethyl)-1-naphthalen-1-ylethanamine" . "(2S)-2-aminopropanoic acid" . "carbonocyanidic acid" . "1,3-Dihydroxy-2-propanyl (5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoate" . "2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol" . "(6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol" . "(5Z,8Z,11Z,14Z)-20-cyano-N-[(2R)-1-hydroxypropan-2-yl]-16,16-dimethylicosa-5,8,11,14-tetraenamide" . "(11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-[(naphthalen-1-yl)carbonyl]-9-oxa-1-azatricyclo[6.3.1.0^{4,12}]dodeca-2,4,6,8(12)-tetraene" . "2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol" . "(6aR,8S,9S,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-8,9-ditritio-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol" . "(11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-[(naphthalen-1-yl)carbonyl]-9-oxa-1-azatricyclo[6.3.1.0^{4,12}]dodeca-2,4,6,8(12)-tetraene" . "(5Z,8Z,11Z,14Z)-N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide" . "(5Z,8Z,11Z,14Z)-N-cyclopropylicosa-5,8,11,14-tetraenamide" . "6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol" . "1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide" . "4-[6-methoxy-2-(4-methoxyphenyl)1-benzofuran-3-carbonyl]benzonitrile" . "5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide" . "1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide" . "5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4-(tritritiomethyl)pyrazole-3-carboxamide" . "[(1R,2S,5R)-2-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methanol" . "(6aR,10aR)-6,6,9-trimethyl-3-(2-methylpentan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene" . "(6aR,10aR)-1-methoxy-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene" . "(6aR,10aR)-1-methoxy-6,6-dimethyl-9-methylidene-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromene" . "[6-iodo-2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methoxyphenyl)methanone" . "5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]-N-[(1S,4R,6S)-1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl]pyrazole-3-carboxamide" . "[5-chloro-2-[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]phenyl]urea" . "(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-34-amino-22-(4-aminobutyl)-10-(3-amino-3-oxopropyl)-13,19-bis[3-(diaminomethylideneamino)propyl]-25-(1-hydroxyethyl)-28-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-31-(phenylmethyl)-7-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carboxylic acid" . "1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one" . "1-[(3-chlorophenyl)methyl]pyrrole-2-carboxylic acid" . "6-methyl-1'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-1,2-dihydrospiro[3,1-benzoxazine-4,4'-piperidine]-2-one" . "(E)-3-(3,4-dichlorophenyl)-N-[5-[4-(5-hydroxy-1H-indol-3-yl)piperidin-1-yl]pentyl]prop-2-enamide" . "dimethyl-[[4-[[3-(4-methylphenyl)8,9-dihydro-7H-benzo[7]annulene-6-carbonyl]amino]phenyl]methyl]-(oxan-4-yl)azanium" . "N-[(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]-2-{[3-(trifluoromethyl)phenyl]formamido}acetamide" . "1-[(2R)-1-[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]-3-methylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea" . "1-[(2R)-1-[4-[(3,4-dichlorophenyl)methyl]-1-methylpiperidin-1-ium-1-yl]-3-methylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea" . "1-[(2S)-1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-3-hydroxybutan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea" . "N-[2-[(2S,4R)-4-[(3,4-dichlorophenyl)methyl]pyrrolidin-2-yl]ethyl]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]sulfanylacetamide" . "N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(3-hydroxy-5-methylpyridine-2-carbonyl)piperidin-4-ylidene]acetamide" . "2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide" . "1-acetyl-N-[3-[4-[(4-carbamoylphenyl)methyl]piperidin-1-yl]propyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide" . "(5E)-8-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]-3,4-dihydro-2H-1-benzazocine-5-carboxamide" . "3-[(4-{4-[(1Z)-(4-bromophenyl)(ethoxyimino)methyl]piperidin-1-yl}-4-methylpiperidin-1-yl)carbonyl]-2,4-dimethylpyridin-1-ium-1-olate" . "4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide" . "[4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)methanone" . "4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl-hydroxymethyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzoic acid" . "4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide" . "(4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]methanone" . "2-[2-[4-[[3-(phenoxy)phenyl]methyl]piperazin-1-yl]ethoxy]ethanol" . "3-(2-bromophenyl)-1-(2-hydroxy-4-nitrophenyl)urea" . "1-(2-hydroxy-4-nitrophenyl)-3-phenylurea" . "N-[1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide" . "1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane" . "(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-6-[(2-methylphenyl)carbamoylamino]hexanoyl]amino]-4-oxobutanoic acid" . "3-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid" . "(3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-4-oxobutanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid" . "2-[3-(2H-indazol-3-ylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl]-N-(4-methoxyphenyl)-N-propan-2-ylacetamide" . "N-(4-dimethylaminophenyl)-2-[2,4-dioxo-5-phenyl-3-(phenylcarbamoylamino)-1,5-benzodiazepin-1-yl]-N-propan-2-ylacetamide" . "(E)-4-[[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-1-phenylethyl]amino]-4-oxobut-2-enoic acid" . "2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5,7-dimethylindol-1-yl]acetic acid" . "(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[3-(2-methylpropoxycarbonylamino)propanoylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid" . "2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid" . "1-adamantyl N-[(2R)-1-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate" . "4-[[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid" . "N-[(11S)-9-(2-fluorophenyl)-12-oxo-1,10-diazatricyclo[6.4.1.0^{4,13}]trideca-4(13),5,7,9-tetraen-11-yl]-1H-indole-2-carboxamide" . "(2S)-N-[(4aS,5R)-1,3-dioxo-2-(phenylmethyl)-4,4a,5,6,7,8-hexahydropyrido[2,1-f]pyrimidin-5-yl]-2-(tert-butylcarbamoylamino)-3-(1H-indol-3-yl)propanamide" . "(2S)-3-[5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid" . "N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide" . "1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(3-methylphenyl)urea" . "1-[(3R)-5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-[3-(methyl-(2H-tetrazol-5-yl)amino)phenyl]urea" . "1-[(3R)-5-(3-azabicyclo[3.2.2]nonan-3-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea" . "4-[[(1R)-2-[[(2R)-3-(2,3-dihydro-1H-indol-3-yl)-2-methyl-2-[[(1S,4S)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl]oxycarbonylamino]propanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid" . "3-[(3S)-1-(2-fluorophenyl)-6-methoxy-2-oxo-3-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)indol-3-yl]propanoic acid" . "2-[(2R)-3-[4-[di(phenyl)methyl]piperazin-1-yl]-2-(1H-indole-2-carbonylamino)-3-oxopropyl]sulfanylpyridine-3-carboxylic acid" . "3-[[3-[(5-carbamimidoyl1H-indole-2-carbonyl)amino]benzoyl]amino]-3-phenylpropanoic acid" . "1-[(3R)-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylaminophenyl)urea" . "3-(3-methylphenyl)-1-[(3R)-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea" . "(4R)-4-[(3,4-dichlorobenzoyl)amino]-5-(3-methoxypropyl-pentylamino)-5-oxopentanoic acid" . "2-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]acetic acid" . "4-[(3,4-dichlorobenzoyl)amino]-5-(dipentylamino)-5-oxopentanoic acid" . "4-[(3,4-dichlorobenzoyl)amino]-5-(3-methoxypropyl-pentylamino)-5-oxopentanoic acid" . "4-(benzoylamino)-5-(dipropylamino)-5-oxopentanoic acid" . "(3S)-4-[[(2R)-1-[2-[[(2S)-2-[[1H-indol-3-ylmethyl-[2-[[(2S)-2-[3-(4-sulfooxyphenyl)propanoylamino]hexanoyl]amino]acetyl]carbamoyl]amino]hexanoyl]carbamoyl]phenyl]propan-2-yl]amino]-3-methylamino-4-oxobutanoic acid" . "(3S)-3-[[(2S)-2-[[(2S)-2-[(3-amino-3-oxopropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]-methylamino]hexanoyl]amino]-4-[[(2S)-1-[[(1S)-1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]amino]pentyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid" . "(3S)-4-[[(2S)-1-[[(2S)-3-(1H-indol-3-yl)-2-[[2-oxo-3-[[(1S)-1-[[(2S)-2-(2,2,3,3,3-pentatritiopropanoylamino)-3-(4-sulfooxyphenyl)propanoyl]amino]pentyl]amino]propanoyl]amino]propanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-methylaminohexanoyl]amino]-4-oxobutanoic acid" . "(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[(3-hydroxy-3-oxopropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]-methylamino]hexanoyl]amino]-4-oxobutanoic acid" . "2-[(3R)-1-(2,2-diethoxyethyl)-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide" . "(4R,5S)-N-(4-bromophenyl)-3-oxo-4,5-diphenylpyrazolidine-1-carboxamide" . "(3S)-3-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-phenylbutanoic acid" . "(3R)-3-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-phenylbutanoic acid" . "3-[(2S)-2-{[(adamantan-2-yloxy)carbonyl]amino}-2-(1H-indol-3-ylmethyl)propanamido]-4-(4-fluorophenyl)butanoic acid" . "2-[3-[[2-[[2-(methyl-phenylamino)-2-oxoethyl]-phenylamino]-2-oxoethyl]carbamoylamino]phenyl]acetic acid" . "3-[[(3R)-1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid" . "5-[[(2S)-2-[[6-(1-adamantylmethylcarbamoyl)1H-indole-5-carbonyl]amino]-3-phenylpropanoyl]amino]benzene-1,3-dicarboxylic acid" . "(3R)-5-[[2-(8-azaspiro[4.5]decane-8-carbonyl)-4,6-dimethylphenyl]amino]-3-naphthalen-1-yl-5-oxopentanoic acid" . "2-[(8Z,10E,15E)-13,26-dihydroxy-3,4,18-trimethyl-24,28-dioxo-27-oxa-21-thiatetracyclo[23.2.1.0^{1,6}.0^{19,23}]octacosa-4,8,10,15,25-pentaen-20-yl]-2-oxoacetic acid" . "[(2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate" . "N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoylbenzamide" . "(1S)-6-chloro-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol" . "10-propyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,13,15-hexaene-3,4-diol" . "1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol" . "3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol" . "6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol" . "6-chloro-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol" . "4-(2-Aminoethyl)benzene-1,2-diol" . "(6S)-6-(propyl-(2-thiophen-2-ylethyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol" . "7-chloro-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol" . "5-chloro-2-methoxy-4-methylamino-N-[(2R,3R)-2-methyl-1-(phenylmethyl)pyrrolidin-3-yl]benzamide" . "7-bromo-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol" . "(5R)-8-(125I)iodo-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol" . "7-chloro-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol" . "2-[4-[(3Z)-3-[2-(Trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol" . "7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol" . "(7R)-7-[[(Z)-3-iodoprop-2-enyl]-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol" . "(4aS,10bS)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol" . "(6S)-N'-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine" . "(5aR,9aR)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine" . "N,N-dipropyl-2,3,5,6,7,8-hexahydrobenzo[f][1]benzoxol-7-amine" . "(1S)-7-chloro-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol" . "(1S,2R)-5-methoxy-1-methyl-N,N-dipropyl-1,2-dihydronaphthalen-2-amine" . "N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoylbenzamide" . "(2R)-2-[[(2R)-2-amino-3-(1-methoxycarbonylindol-3-yl)propanoyl]-[(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4,4-dimethylpentanoyl]amino]hexanoic acid" . "4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide" . "6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one" . "5-chloro-3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide" . "2-[4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol" . "(9R)-10-propyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,13,15-hexaene-3,4-diol" . "(1S,2R)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine" . "5-fluoro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole" . "2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine" . "N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-3-methylbenzamide" . "(7R,9aS)-7-[(4-fluorophenoxy)methyl]-2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine" . "3-[[4-(4-iodophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine" . "2-[4-[(2-phenyl-3H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine" . "4-[4-[2-[(1S)-isochroman-1-yl]ethyl]piperazin-1-yl]benzenesulfonamide" . "N-[1-[(4-iodophenyl)methyl]piperidin-4-yl]-N-methyl-3-propan-2-yloxypyridin-2-amine" . "N-[2-[2-hydroxy-3-[4-(4-hydroxy-3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]acetamide" . "5-chloro-2-methoxy-4-methylamino-N-[2-methyl-1-(phenylmethyl)pyrrolidin-3-yl]benzamide" . "(1R)-6-chloro-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol" . "(4R,7R)-N-[(1S,2S,4R,7R)-7-[(2S)-butan-2-yl]-2-hydroxy-5,8-dioxo-4-(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide" . "L-cysteinyl-L-seryl-L-cysteinyl-L-seryl-L-seryl-L-leucyl-L-methionyl-L-alpha-aspartyl-L-lysyl-L-alpha-glutamyl-L-cysteinyl-L-valyl-L-tyrosyl-L-phenylalanyl-L-cysteinyl-L-histidyl-L-leucyl-L-alpha-aspartyl-L-isoleucyl-L-isoleucyl-L-tryptophan (1->15),(3->11)-bis(disulfide)" . "2-[(3R,6R,9S,12R,15S)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid" . "(2R)-2-[[(2R)-2-[[(2S)-2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-3-(1-methylindol-3-yl)propanoyl]amino]-3-pyridin-2-ylpropanoic acid" . "sodium (Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]but-2-enoate" . "2-[[2-[2-butyl-4-[(E)-3-hydroxy-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-3-oxoprop-1-enyl]pyrazol-3-yl]-5-methoxyphenoxy]methyl]benzoic acid" . "(2R)-2-[[(2R)-2-[[(2S)-2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-3-(1-methylindol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid" . "(Z)-2-(1,3-benzodioxol-5-yl)-3-[[3-[4-[2-(4-hydroxy-3-iodophenyl)ethylamino]-4-oxobutoxy]-4,5-dimethoxyphenyl]methyl]-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid" . "(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-[(2,6-diethylphenyl)amino]-2-oxoethyl]-2-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid" . "4-tert-butyl-N-[6-[(2R)-2,3-dihydroxypropoxy]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]benzenesulfonamide" . "(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol" . "(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol" . "1-[(3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone" . "(7R,8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol" . "2-[4-[(Z)-1,2-di(phenyl)but-1-enyl]phenoxy]-N,N-dimethylethanamine" . "(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid" . "(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone" . "(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoic acid" . "(5S,6R,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid" . "4-butoxy-N-[2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide" . "(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid" . "3-(4-{[(3-phenoxyphenyl)methyl]amino}phenyl)propanoic acid" . "(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid" . "(9Z,12Z)-octadeca-9,12-dienoic acid" . "3,3,14,14-Tetramethylhexadecanedioic acid" . "(Z)-Octadec-9-enoic acid" . "Hexadecanoic acid" . "5-[[4-[2-(methyl-pyridin-2-ylamino)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione" . "ethyl 4-[5-[(2-ethoxypyrimidin-5-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]-4-oxopyrimidin-1-yl]benzoate" . "acetic acid" . "butanoic acid" . "2-Methylpropanoic acid" . "Pentanoic acid" . "Propanoic acid" . "(3R)-4-amino-3-(4-chlorophenyl)butanoic acid" . "[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate" . "3-aminopropyl-(difluoromethyl)phosphinic acid" . "4-Aminobutanoic acid" . "3-amino-2-(4-chlorophenyl)-2-hydroxypropane-1-sulfonic acid" . "3-aminopropyl-(diethoxymethyl)phosphinic acid" . "cyclohexylmethyl-[(2S)-3-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-hydroxypropyl]phosphinic acid" . "3-[(1R)-1-[[(2S)-3-(cyclohexylmethyl-hydroxyphosphoryl)-2-hydroxypropyl]amino]ethyl]benzoic acid" . "3-[(1R)-1-[[(2S)-2-hydroxy-3-[hydroxy-[(4-methoxyphenyl)methyl]phosphoryl]propyl]-methylamino]ethyl]benzoic acid" . "3-[(1R)-1-[[(2S)-2-hydroxy-3-[hydroxy-[5-[3-(4-hydroxy-3-iodophenyl)propanoylamino]pentyl]phosphoryl]propyl]amino]ethyl]benzoic acid" . "3-[(1R)-1-[[(2S)-3-[5-[(4-azido-2-hydroxy-5-iodobenzoyl)amino]pentyl-hydroxyphosphoryl]-2-hydroxypropyl]amino]ethyl]benzoic acid" . "2-[(2S)-5,5-dimethylmorpholin-2-yl]acetic acid" . "3-[(1R)-1-[[(2S)-2-hydroxy-3-[hydroxy-[5-[3-(4-hydroxy-3-iodophenyl)propanoylamino]pentyl]phosphoryl]propyl]amino]ethyl]benzoic acid" . "3-[(1R)-1-[[(2S)-3-[5-[(4-azido-2-hydroxy-5-iodobenzoyl)amino]pentyl-hydroxyphosphoryl]-2-hydroxypropyl]amino]ethyl]benzoic acid" . "3-amino-2-(4-chlorophenyl)propane-1-sulfonic acid" . "2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol" . "3-aminopropyl-methylphosphinic acid" . "3-aminopropyl-hydroxy-oxophosphanium" . "[(2R)-3-amino-2-hydroxypropyl]-methylphosphinic acid" . "4-amino-3-(4-chlorophenyl)butanoic acid" . "3-aminopropyl-butylphosphinic acid" . "3-aminopropyl-(cyclohexylmethyl)phosphinic acid" . "[(2S)-3-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-hydroxypropyl]-(phenylmethyl)phosphinic acid" . "cyclohexylmethyl-[(2S)-3-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-hydroxypropyl]phosphinic acid" . "[3-amino-2-(4-chlorophenyl)propyl]phosphonic acid" . "(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanamide" . "6-amino-2-[[2-[[2-[2-[[2-[[2-amino-3-(3H-imidazol-4-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanamide" . "2-amino-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-(phenylmethoxy)propan-2-yl]propanamide" . "3-amino-5-(azepan-1-yl)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide" . "(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(3H-imidazol-4-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoic acid" . "N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylbutanamide" . "2-(1,3-thiazol-2-yl)ethanamine" . "2-[2-(3-bromophenyl)-3H-imidazol-4-yl]ethanamine" . "2-[2-(3-chlorophenyl)-3H-imidazol-4-yl]ethanamine" . "2-[2-(3-iodophenyl)-3H-imidazol-4-yl]ethanamine" . "3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione" . "5-[(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide" . "5-[(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide" . "propan-2-yl 7-[(2,6-difluorophenyl)methyl]-3-[(methyl-(phenylmethyl)amino)methyl]-2-[4-(2-methylpropanoylamino)phenyl]-4-oxothieno[3,2-e]pyridine-5-carboxylate" . "1-[4-[1-[(2,6-difluorophenyl)methyl]-5-[(methyl-(phenylmethyl)amino)methyl]-2,4-dioxo-3-phenylthieno[4,5-e]pyrimidin-6-yl]phenyl]-3-methoxyurea" . "3-(2-amino-2-phenylethyl)-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione" . "2-pyridin-2-ylethanamine" . "3-(3,4-difluorophenyl)-3-(1H-imidazol-2-yl)-N-{N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl}propanamide" . "3-(4-fluorophenyl)-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-pyridin-2-ylpropanamide" . "N-{N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl}-2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}acetamide" . "N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]-3,3-diphenylpropanamide" . "3,3-bis(4-fluorophenyl)-N-{N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl}propanamide" . "2-[2-[3,3-di(phenyl)propyl]-3H-imidazol-4-yl]-N,N-dimethylethanamine" . "2-(3H-imidazol-4-yl)ethanamine" . "2-[2-[3,3-di(phenyl)propyl]-3H-imidazol-4-yl]-N-methylethanamine" . "(2S,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine" . "(2S,4R)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine" . "N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine" . "(2S,4R)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine" . "(3S)-3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine" . "(2R,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine" . "(3R)-3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine" . "2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid" . "2-[2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid" . "N-[(2R)-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide" . "(1,5-diacetyloxy-3,4-dimethoxyhexan-2-yl) acetate" . "4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile" . "1-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine" . "N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(5-tritiopyridin-2-yl)ethane-1,2-diamine" . "1-[3-(4-fluorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(3H-imidazol-4-yl)propyl]guanidine" . "2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid" . "N'-[(4-chlorophenyl)methyl]-1-[3-(3H-imidazol-4-yl)propylsulfanyl]methanimidamide" . "2-[di(phenyl)methoxy]-N,N-dimethylethanamine" . "4-amino-N-[2-[[N-cyano-N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]-3-iodobenzamide" . "3-methyl-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]thiourea" . "methyl (6S)-1-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propylcarbamoyl]-6-(3,4-difluorophenyl)-4-(methoxymethyl)-2-oxo-3,6-dihydropyrimidine-5-carboxylate" . "N-[6-(dimethylaminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-fluorophenyl)benzamide" . "(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine" . "2-[3-(3H-imidazol-4-yl)propyl]-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine" . "N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine" . "2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine" . "1-[4-(1H-indazol-4-yl)butyl]-3-methylthiourea" . "4-amino-N-[2-[[N-cyano-N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]-3-iodobenzamide" . "3-cyano-2-methyl-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine" . "2-amino-2-(2-chloro-5-hydroxyphenyl)acetic acid" . "N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-N'-methyl-2-nitroethene-1,1-diamine" . "3-cyano-1-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-2-methylguanidine" . "(2R)-1-(3H-imidazol-4-yl)propan-2-amine" . "(2R)-1-(3H-imidazol-4-yl)propan-2-amine" . "(2S)-1-(3H-imidazol-4-yl)propan-2-amine" . "2-(3H-imidazol-4-yl)-N-methylethanamine" . "2-(3H-imidazol-4-yl)-N-methylethanamine" . "2-(1-methylimidazol-4-yl)ethanamine" . "2-(1-methylimidazol-4-yl)ethanamine" . "3-[(4-chlorophenyl)methyl]-5-[2-(3H-imidazol-4-yl)ethyl]-1,2,4-oxadiazole" . "4-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-3H-imidazole" . "5-(3H-imidazol-4-yl)-N,N-dimethylpentan-1-amine" . "3-(1H-imidazol-5-yl)propyl carbamimidothioate" . "2-(3H-imidazol-4-yl)ethanamine" . "3-dimethylaminopropylsulfanylmethanimidamide" . "4-(3H-imidazol-4-yl)butan-1-amine" . "2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide" . "N-[4-(2-ethylaminoethoxy)-3-methoxyphenyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide" . "4-(3H-imidazol-4-ylmethyl)piperidine" . "5-(3H-imidazol-4-yl)pentan-1-amine" . "4-[3-[(4-iodophenyl)methoxy]propyl]-3H-imidazole" . "4-(3H-imidazol-4-ylmethyl)-1-methylpiperidine" . "4-[3-(phenylmethoxy)propyl]-3H-imidazole" . "1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine" . "4-(3-piperidin-1-ylpropoxy)benzonitrile" . "(2R)-2-amino-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]propan-1-one" . "4-(4-phenylbutyl)-3H-imidazole" . "cyclohexylmethyl N-[(1R,2R)-2-(3H-imidazol-4-yl)cyclopropyl]carbamate" . "1-[(4-chlorophenyl)methyl]-1-(7-pyrrolidin-1-ylheptyl)guanidine" . "N-[5-(3H-imidazol-4-yl)pentyl]cyclohexanamine" . "4-[3-[(4-iodophenyl)methoxy]propyl]-3H-imidazole" . "cyclopropyl-[4-[3-(3H-imidazol-4-yl)propoxy]phenyl]methanone" . "(1S)-1-[3-(3H-imidazol-4-yl)propylsulfanyl]-N-[2-(4-iodophenyl)ethyl]methanediamine" . "N-cyclohexyl-4-(3H-imidazol-4-yl)piperidine-1-carbothioamide" . "5-(2-hydroxyethyl)-1,3-bis(hydroxymethyl)-1,3,5-triazinane-2-thione" . "2-(5-methyl-1H-imidazol-4-yl)ethanamine" . "2-(3H-imidazol-4-yl)-N,N-dimethylethanamine" . "2-(1-ethylimidazol-4-yl)ethanamine" . "6-[2-(3H-imidazol-4-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]heptanamide" . "2-(diaminomethylideneamino)ethylsulfanylmethanimidamide" . "3-cyano-1-[3-(3H-imidazol-4-yl)propyl]-2-methylguanidine" . "(6-chloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone" . "(5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone" . "(5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone" . "4-[2-[2-[3-acetamido-2-[[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-5-[[6-amino-1-[[1-[(1-hydroxy-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid" . "N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-fluoro-4-oxochromene-2-carboxamide" . "N-(cis-4-{[4-(Dimethylamino)-2-quinazolinyl]amino}cyclohexyl)-3,4-difluorobenzamide" . "6-(4-chlorophenyl)-3-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]thieno[2,3-e]pyrimidin-4-one" . "2-[3-[(4S)-3-[2-(3-fluorophenyl)ethyl]-1-[(2S)-1-(phenylmethylamino)propan-2-yl]-2-sulfanylideneimidazolidin-4-yl]propyl]guanidine" . "methyl (6S)-6-(3,4-difluorophenyl)-4-(methoxymethyl)-2-oxo-1-[3-[4-[3-(propanoylamino)phenyl]piperidin-1-yl]propylcarbamoyl]-3,6-dihydropyrimidine-5-carboxylate" . "3-(3-chloro-4-fluorophenyl)-1-(7-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[3-(4-methylpiperazin-1-yl)propyl]urea" . "(3S,6S,9R,12S,15S,23S)-9-benzyl-6-{3-[(diaminomethylidene)amino]propyl}-15-[(2S)-2-acetamidohexanamido]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaazacyclotricosane-23-carboxamide" . "(2S)-2-acetamido-N-[(3S,6S,13E)-14-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(2,3-dihydro-1H-indol-3-yl)propanoyl]amino]-3-(4H-imidazol-4-ylmethyl)-2,5,8,15-tetraoxo-1,4,9-triazacyclopentadec-13-en-6-yl]hexanamide" . "(1R,4S,6R)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-7-methyl-7-azabicyclo[2.2.2]octane-6-carboxamide" . "(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide" . "1-[(1S)-1-(4-fluorophenyl)-2-[4-[4-(2-methoxynaphthalen-1-yl)butyl]piperazin-1-yl]ethyl]-4-propan-2-ylpiperazine" . "4-[(1S)-1-amino-2-hydroxy-2-oxoethyl]benzoic acid" . "N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide" . "N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide" . "N-[2-[5-(2-hydroxyethoxy)-1H-indol-3-yl]ethyl]acetamide" . "N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide" . "N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide" . "1-[3-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone" . "N-[2-(2,3,7,8-tetrahydrofuro[2,3-g]indol-1-yl)ethyl]acetamide" . "N-[2-(2-methoxy-6H-isoindolo[2,3-a]indol-11-yl)ethyl]butanamide" . "N-[(2R)-2-(6-chloro-5-methoxy-1H-indol-3-yl)propyl]acetamide" . "N-[2-[5-methoxy-2-[(3-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide" . "N-[2-[3-(3-aminophenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide" . "N-[2-[7-[4-[8-(2-acetamidoethyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]acetamide" . "N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzoxol-8-yl]ethyl]propanamide" . "N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide" . "N-(4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide" . "N-[2-(11-methoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]butanamide" . "N-(2-naphthalen-1-ylethyl)cyclobutanecarboxamide" . "N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]acetamide" . "N-[2-[7-[3-[8-(2-acetamidoethyl)naphthalen-2-yl]oxypropoxy]naphthalen-1-yl]ethyl]acetamide" . "N-[2-[2-(phenylmethyl)-1H-indol-3-yl]ethyl]acetamide" . "N-[2-[5-methoxy-2-(phenylmethyl)-1H-indol-3-yl]ethyl]acetamide" . "(1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid" . "(2S)-2-amino-2-(3-hydroxyphenyl)acetic acid" . "2-amino-2-(3,5-dihydroxyphenyl)acetic acid" . "(1S,2S)-2-[(1S)-1-amino-2-hydroxy-2-oxoethyl]cyclopropane-1-carboxylic acid" . "5-methyl-2-(2-phenylethynyl)pyridine" . "(2S)-2-aminopentanedioic acid" . "(2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid" . "2-amino-2-(3-oxo-1,2-oxazol-5-yl)acetic acid" . "(2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid" . "4-[(2S)-2-amino-1-hydroxy-1-oxopropan-2-yl]benzoic acid" . "4-[(1S)-1-amino-2-hydroxy-2-oxoethyl]-2-hydroxybenzoic acid" . "1-amino-2,3-dihydroindene-1,5-dicarboxylic acid" . "(1R,2R)-3-[(1S)-1-amino-2-hydroxy-2-oxoethyl]cyclopropane-1,2-dicarboxylic acid" . "4-[(1S)-1-amino-2-hydroxy-2-oxoethyl]-3-methylbenzoic acid" . "(3aS,6aS)-5-methylidene-3a-(naphthalen-2-ylmethyl)-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one" . "ethyl 7-hydroxyimino-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate" . "O4-(3,3-dimethylbutan-2-yl) O2-propyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate" . "N-(1-adamantyl)quinoxaline-2-carboxamide" . "3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl-(4-methoxycyclohexyl)methanone" . "ethyl N-[2,2-di(phenyl)acetyl]carbamate" . "butyl N-(9H-xanthene-9-carbonyl)carbamate" . "2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine" . "7-amino-N-cyclohexyl-N,1-dimethyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide" . "1-ethyl-2-methyl-6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile" . "1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-phenylethanone" . "(2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid" . "(4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone" . "2-[4-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]acetonitrile" . "3-cyano-N-[2,5-di(phenyl)pyrazol-3-yl]benzamide" . "N-[4-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-2-hydroxybenzamide" . "(1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid" . "(1S,2R,5R,6R)-2-amino-4-oxabicyclo[3.1.0]hexane-2,6-dicarboxylic acid" . "(1R,2S,5S,6S)-2-amino-6-fluoro-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid" . "(1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid" . "(1R,2R,3R,5R,6R)-2-amino-3-[(3,4-dichlorophenyl)methoxy]-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid" . "2-amino-2-methyl-3-phosphonooxypropanoic acid" . "(2S)-2-amino-2-ethylpentanedioic acid" . "2,2,2-trifluoro-N-[3-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide" . "2,2,2-trifluoro-N-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide" . "1-[2-hydroxy-3-propyl-4-[4-[4-(2H-tetrazol-5-yl)phenoxy]butoxy]phenyl]ethanone" . "(2S)-2-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]pentanedioic acid" . "2-amino-2-(4-phosphonophenyl)acetic acid" . "4-[(1S)-1-amino-2-hydroxy-2-oxoethyl]phthalic acid" . "(2S,4S)-4-amino-1-[(2E)-3-carboxyprop-2-enoyl]pyrrolidine-2,4-dicarboxylic acid" . "(2S)-2-amino-4-phosphonobutanoic acid" . "(2S)-2-amino-3-phosphonooxypropanoic acid" . "(2S)-2-amino-4-phosphonobutanoic acid" . "2-amino-2-cyclopropyl-2-(4-phosphonophenyl)acetic acid" . "(2S)-2-amino-2-methyl-4-phosphonobutanoic acid" . "2-amino-2-(4-phosphonophenyl)propanoic acid" . "7-hydroxyimino-N-phenyl-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide" . "1-(3-fluorophenyl)-N-[(3-fluorophenyl)methylideneamino]methanimine" . "2-[2-(3-methoxyphenyl)ethynyl]-6-methylpyridine" . "2-methyl-6-(2-phenylethynyl)pyridine" . "3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]benzonitrile" . "2-methyl-4-(2-pyridin-3-ylethynyl)-1,3-thiazole" . "(2R)-N-[4-(benzoyl)phenyl]-2-(4-methylphenoxy)propanamide" . "2-methyl-6-(2-phenylethenyl)pyridine" . "3-(3-chlorophenyl)-1-(1-methyl-4-oxo-5H-imidazol-2-yl)urea" . "4-amino-1-(phenylmethyl)pyrrolidine-2,4-dicarboxylic acid" . "(E)-4-(2-aminoethoxy)-2-[[2-methyl-3-oxo-5-(phosphonooxymethyl)-2,6-dihydro-1H-pyridin-4-yl]methylamino]but-3-enoic acid" . "(1S,2S)-2-[(2S)-2-amino-1-hydroxy-1-oxopropan-2-yl]cyclopropane-1-carboxylic acid" . "N,N'-bis[di(phenyl)methyl]ethane-1,2-diamine" . "(2R)-2-amino-4-phosphonobutanoic acid" . "(1R,2R,3S,4S,5R,8R,9R,10S,11R)-8-ethyl-2-[(2S,3R,4S,6R)-4-(ethyl-methylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-hydroxy-4-[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,3,5,9,11,13-hexamethyl-7,15-dioxabicyclo[10.2.1]pentadec-12-en-6-one" . "(1S,2R,3S,4S,5R,8R,9S,10R,11R)-8-ethyl-2-[(2S,3R,4S,6R)-4-(ethyl-methylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-9,10-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,3,5,9,11,13-hexamethyl-7,15-dioxabicyclo[10.2.1]pentadec-12-en-6-one" . "(1R,2R,3S,4S,5R,8R,9S,10R,11R)-2-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-9,10-dihydroxy-4-[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,3,5,9,11,13-hexamethyl-7,15-dioxabicyclo[10.2.1]pentadec-12-en-6-one" . "14-ethyl-6-[4-[ethyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione" . "(1R,2R,3S,4S,5R,8R,9S,10R,11R)-2-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-9,10-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,3,5,9,11,13-hexamethyl-7,15-dioxabicyclo[10.2.1]pentadec-12-en-6-one" . "(1S,2R,3S,4S,5R,8R,9S,10S,11R)-2-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-10-hydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,3,5,9,11,13-hexamethyl-7,15-dioxabicyclo[10.2.1]pentadec-12-en-6-one" . "4-[(R)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide" . "(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione" . "(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one" . "(2S)-2-amino-N-[(2S,13S)-2-[(3-tert-butyl-4-hydroxyphenyl)methyl]-3,7,14-trioxo-1,4,8-triazacyclotetradec-13-yl]-3-phenylpropanamide" . "(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanediamide" . "(2R)-5-(diaminomethylideneamino)-2-[[2,2-di(phenyl)acetyl]amino]-N-[(4-hydroxyphenyl)methyl]pentanamide" . "(2R)-N-[[4-[(carbamoylamino)methyl]phenyl]methyl]-5-(diaminomethylideneamino)-2-[[2,2-di(phenyl)acetyl]amino]pentanamide" . "(2S)-5-(diaminomethylideneamino)-N-[2-[3,5-dioxo-1,2-di(phenyl)-1,2,4-triazolidin-4-yl]ethyl]-2-[[2-[1-[2-oxo-2-[4-(6-oxo-5,11-dihydrobenzo[c][2]benzazepin-11-yl)piperazin-1-yl]ethyl]cyclopentyl]acetyl]amino]pentanamide" . "N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide" . "1-methyl-3-(9-propan-2-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-1-(2-pyridin-4-ylethyl)urea" . "9-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-one" . "ethyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-methylaminopentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-methylpentanoate" . "(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2,6-diaminohexyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid" . "(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid" . "(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-4-carboxy-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid" . "2-[[5-(2,6-dimethoxyphenyl)-1-[4-(3-dimethylaminopropyl-methylcarbamoyl)-2-propan-2-ylphenyl]pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid" . "(2S)-2-[[1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]-2-cyclohexylacetic acid" . "2-[[1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid" . "2-[[5-[2,6-bis(tritritiomethoxy)phenyl]-1-(7-chloroquinolin-4-yl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid" . "Pyridine-3-carboxylic acid" . "5-(5-bromothiophen-3-yl)-5-methyl-4-oxofuran-2-carboxylic acid" . "2-pyridin-3-ylacetic acid" . "5-butyl-1H-pyrazole-3-carboxylic acid" . "5-methylpyridine-3-carboxylic acid" . "(3R)-3-hydroxybutanoic acid" . "5-methyl-4-oxidopyrazin-4-ium-2-carboxylic acid" . "1-propan-2-ylbenzotriazole-5-carboxylic acid" . "5-ethyl-4-oxo-5-phenylfuran-2-carboxylic acid" . "5-methyl-5-(5-methylthiophen-3-yl)-4-oxofuran-2-carboxylic acid" . "(6R)-6-dimethylamino-4,4-di(phenyl)heptan-3-one" . "(2R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid" . "(4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3,3,14,14-tetramethyl-6,9,12-trioxo-7-(phenylmethyl)-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid" . "(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoic acid" . "2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid" . "(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid" . "(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid" . "(4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol" . "(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid" . "(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide" . "2-[2-[(4-ethoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]-N,N-diethylethanamine" . "(2S)-2-[[(2S)-2-[[2-[[(2S)-2-(di(prop-2-enyl)amino)-3-(4-hydroxyphenyl)propanoyl]amino]-2-methylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid" . "(2S)-2-[[(2S)-2-[[(3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]methylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid" . "N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide" . "(1S,5R,13R,14S,17R)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18),15-tetraene-10,14-diol" . "(1S,5R,13S,17S)-4-(cyclopropylmethyl)-14-methylidene-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-triene-10,17-diol" . "(1S,5R,13R,14S,17R)-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,15-tetraene-10,14-diol" . "4R,4aR,7S,7aR,12bS)-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol" . "methyl (2E)-3-{[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-trien-14-yl]carbamoyl}prop-2-enoate" . "(1S,5R,13R,15Z,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-15-(phenylmethylidene)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-trien-14-one" . "(1S,5R,13R,17S)-10,17-dihydroxy-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one" . "(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one" . "2-(1-benzofuran-4-yl)-N-methyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide" . "(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]-methylamino]-N-(2-hydroxyethyl)-3-phenylpropanamide" . "(2S)-N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2R)-1-ethylamino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]-methylamino]-1-oxopentan-2-yl]-2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-methylaminopropanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide" . "methyl 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate" . "2-[3-[1-[[2-(3,4-dichlorophenyl)acetyl]-methylamino]-2-pyrrolidin-1-ylethyl]phenoxy]acetic acid" . "(E)-N-[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]-3-(furan-3-yl)-N-methylprop-2-enamide" . "2-(3,4-dichlorophenyl)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide" . "2-(3,4-dichlorophenyl)-N-methyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide" . "N-methyl-2-phenyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide" . "N-methyl-2-phenyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide" . "(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol" . "N-[(E)-[(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ylidene]amino]benzamide" . "methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-acetyloxy-2-furan-3-yl-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate" . "N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]thiophene-3-carboxamide" . "(4R,4aR,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one" . "2-[(1S,2S,13R,21R)-22-(cyclopropylmethyl)-2,16-dihydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.0^{1,13}.0^{2,21}.0^{4,12}.0^{5,10}.0^{19,25}]pentacosa-4(12),5,7,9,15(25),16,18-heptaen-7-yl]guanidine" . "(1S,2R,6S,14R,15R,16R)-3-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.1^{2,8}.0^{1,6}.0^{6,14}.0^{7,12}]icosa-7(12),8,10-trien-11-ol" . "(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-N-methylpyrrolidine-2-carboxamide" . "(3S,6R)-6-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3-cyclohexylpropanoyl]amino]-N-[(2R)-1-[[(2R)-1-amino-3-(4-chlorophenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[2,3-f]pyridine-3-carboxamide" . "(1S,5R,13R,14S,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18),15-tetraen-14-ol" . "(4R,7S,10S,13R,16S,19R)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-10-(3-aminopropyl)-7-(1-hydroxyethyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-3,3-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide" . "(1S,5R,13R,17S)-10,17-dihydroxy-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one" . "(1S,5R,13R,14Z,17S)-14-{2-[(1S,5R,13R,14Z,17S)-10,17-dihydroxy-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-trien-14-ylidene]hydrazin-1-ylidene}-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-triene-10,17-diol" . "(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]hexanamide" . "8-[(1S,3aS)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one" . "1-[(3R,4R)-1-(cyclooctylmethyl)-3-(hydroxymethyl)piperidin-4-yl]-3-ethylbenzimidazol-2-one" . "N-(4-amino-2-methylquinolin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide" . "(7S,9S)-7-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-4-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-ol" . "3-(2,4-dibromophenyl)-1-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]urea" . "3-(2-bromophenyl)-1-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]urea" . "1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea" . "1-(6,8-difluoro-2-methylquinolin-4-yl)-3-(4-dimethylaminophenyl)urea" . "1-(5,8-difluoroquinolin-4-yl)-3-(4-dimethylaminophenyl)urea" . "[(2S)-2-[[5-(2,6-ditritiophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-1-yl]-[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone" . "[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate" . "[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate" . "[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate" . "[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate" . "[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate" . "[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (dioxidophosphinothioyloxy-oxidophosphoryl) phosphate" . "[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate" . "[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate" . "[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate" . "[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate" . "[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl sulfo hydrogen phosphate" . "[2-[(hydroxy-oxidophosphoryl)oxymethyl]-5-(6-methylaminopurin-9-yl)oxolan-3-yl] hydrogen phosphate" . "[(1S,2R,4R)-4-[(2-chloro-6-methylaminopurin-9-yl)methyl]-2-(phosphonooxymethyl)cyclopentyl] dihydrogen phosphate" . "[2-[(2-chloro-6-methylaminopurin-9-yl)methyl]-3-phosphonooxypropyl] dihydrogen phosphate" . "[2-[(2-chloro-6-methylaminopurin-9-yl)methyl]-3-phosphonopropyl]phosphonic acid" . "[(1R,2S,4S,5S)-4-[2-iodo-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate" . "[(1S,2R,4R)-4-[(2-chloro-6-methylaminopurin-9-yl)methyl]-2-(phosphonooxymethyl)cyclopentyl] dihydrogen phosphate" . "8-[[4-methyl-3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid" . "4-methylbenzenesulfonic acid; 1-oxido-2-pyridin-2-ylindol-1-ium-3-one" . "[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate" . "[(2R,3S,4R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate" . "[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphinato]oxy}phosphinato)oxy]phosphonate" . "[(2R,3S,4R,5R)-4-amino-3-hydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate" . "[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate" . "(dihydroxyphosphinothioyloxy-hydroxyphosphoryl) [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate" . "[[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate" . "[[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate" . "5-(7-chloro-10H-benzo[1,2]cyclohepta[2,4-c][1,3]thiazol-10-yl)-1-methyl-4-sulfanylidenepyrimidin-2-one" . "1-amino-4-[[4-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-3-sulfophenyl]amino]-9,10-dioxoanthracene-2-sulfonic acid" . "({[({[4-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,3-dihydroxybicyclo[3.1.0]hexan-1-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid" . "[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate" . "[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate" . "[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate" . "3-{[3-(2-carboxyethyl)-4-{[(5E)-6-(4-methoxyphenyl)hex-5-en-1-yl]oxy}phenyl]carbonyl}benzoic acid" . "[(2R,3S,4R,5R)-5-[2,4-dioxo-3-(2-oxo-2-phenylethyl)pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate" . "{[(3aR,4R,6R,6aR)-2-benzyl-6-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methoxy}({[({[(2S,3R,4S,5S)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphinic acid" . "[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-iodo-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid" . "[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid" . "[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate" . "dihydroxyphosphinothioyl [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate" . "[[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate" . "1-isothiocyanato-4-[2-(4-isothiocyanatophenyl)ethyl]benzene" . "3-(3-isothiocyanatophenyl)-1-[4-[(3-isothiocyanatophenyl)carbamothioylamino]butyl]thiourea" . "[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydroxyphosphinothioyl hydrogen phosphate" . "[[[[(2R,3S,4R,5R)-5-(6-amino-2-propylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]-dichloromethyl]phosphonic acid" . "[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]oxolan-3-yl] 4-(benzoyl)benzoate" . "[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate" . "8-[[4-fluoro-3-[[3-[[3-[[2-fluoro-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid" . "tetrasodium;4-[[3-[[5-[(3,7-disulfonatonaphthalen-1-yl)carbamoyl]-2-methylphenyl]carbamoylamino]-4-methylbenzoyl]amino]naphthalene-2,6-disulfonate" . "[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate" . "[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate" . "(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[5,4-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol" . "5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxy-7-methylquinoline-2-carbonyl]amino]-5-oxopentanoic acid" . "(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxy-7-methylquinoline-2-carbonyl]amino]-5-oxopentanoic acid" . "[(2S,3aR,4R,6R,6aR)-6-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[4,3-d][1,3]dioxol-4-yl]methyl dihydrogen phosphate" . "(2Z)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]acetic acid" . "(2Z)-2-[1-[(1S)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]acetic acid" . "chloro-(4-sulfophenyl)mercury" . "[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate" . "(6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoic acid" . "[dichloro-[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid" . "[(2Z)-2-[(4-chloro-3-nitrophenyl)hydrazinylidene]-4-formyl-6-methyl-5-oxopyridin-3-yl]methyl dihydrogen phosphate" . "[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate" . "[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate" . "[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate" . "(2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid" . "2-[(2-ethoxy-3-hexadecoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium" . "[2-acetyloxy-3-(2-methyloctadecoxy)propyl] 2-trimethylazaniumylethyl phosphate" . "[(2R)-2-acetyloxy-3-hexadecoxypropyl] 2-trimethylazaniumylethyl phosphate" . "[(2R)-2-acetyloxy-3-hexadecoxypropyl] 2-trimethylazaniumylethyl phosphate" . "(2-acetyloxy-3-hexadecoxypropyl) 2-trimethylazaniumylethyl phosphate" . "N-(3-chlorophenyl)-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide" . "(1S,6R,9R,13S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,15,18-trione" . "[3-[(3R)-7-[1-(dimethylcarbamoyl)-6-(4-fluorophenyl)indole-3-carbonyl]-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-3-yl]pyridin-1-ium-1-yl]methyl acetate chloride" . "4-ethynyl-3-[3-fluoro-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-N,N-dimethylindole-1-carboxamide" . "9-(2-chlorophenyl)-14-{2-[(3,4-dimethoxyphenyl)sulfanyl]ethanethioyl}-3-methyl-17-thia-2,4,5,8,14-pentaazatetracyclo[8.7.0.0^{2,6}.0^{11,16}]heptadeca-1(10),3,5,8,11(16)-pentaene" . "[3-[acetyl-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamoyl]oxy-2-methoxypropyl] N-octadecylcarbamate" . "1-(4-{13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene}piperidin-1-yl)ethan-1-one" . "1-(4-{13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}piperazin-1-yl)ethan-1-one" . "5-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline" . "N',N'-dimethyl-N-(pyridin-3-ylmethyl)-N-[4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-yl]ethane-1,2-diamine" . "7-(2-chlorophenyl)-9,13-dimethyl-4-{2-[4-(2-methylpropyl)phenyl]ethyl}-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaene" . "N-(3-chlorophenyl)-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide" . "3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-(morpholin-4-yl)propan-1-one" . "3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-(morpholin-4-yl)propan-1-one" . "(1R,3R,8S,10R,13S,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,15,18-trione" . "(1R,3R,8S,10R,13S,16S,17R)-8-tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,15,18-trione" . "(1R,3R,8S,9R,10S,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,15,18-trione" . "(1R,3R,8S,9R,10S,13S,16S,17R)-8-tert-butyl-6,9,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,15,18-trione" . "(Z)-7-[(1S,5E)-5-[(3S)-3-hydroxyoctylidene]-4-oxo-1-cyclopent-2-enyl]hept-5-enoic acid" . "(Z)-7-[(1S,5E)-5-[(Z)-oct-2-enylidene]-4-oxo-1-cyclopent-2-enyl]hept-5-enoic acid" . "7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid" . "4-[3-[3-(3-hydroxyoctyl)-4-oxo-1,3-thiazolidin-2-yl]propyl]benzoic acid" . "2-{9-[(4-chlorophenyl)sulfanyl]-6-fluoro-1H,2H,3H-benzo[b]pyrrolizin-1-yl}acetic acid" . "(Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid" . "7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid" . "(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid" . "(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid" . "(Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxo-1-cyclopent-2-enyl]hept-5-enoic acid" . "4-[(1S,2R,3S,6R,7E)-2-[(3S)-3-cyclohexyl-3-hydroxyprop-1-yn-1-yl]-3-hydroxybicyclo[4.2.0]octan-7-ylidene]butanoic acid" . "(5Z)-7-[(1S,2S,3S,4R)-3-[(1E,3S)-3-cyclohexyl-3-hydroxyprop-1-en-1-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid" . "(Z)-7-[(1R,2R,3R,5R)-5-chloro-3-hydroxy-2-[(E,4S)-4-hydroxy-4-(1-prop-2-enylcyclobutyl)but-1-enyl]cyclopentyl]hept-5-enoic acid" . "2-[3-[(1R,2S,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-5-[2-(methoxymethyl)phenyl]pent-1-enyl]-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetic acid" . "(Z)-7-[(1S,4R,5R,6S)-5-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid" . "(Z)-7-[(2R,3R,5R)-5-chloro-2-[(E,3S)-3-cyclohexyl-3-hydroxyprop-1-enyl]-3-hydroxycyclopentyl]hept-5-enoic acid" . "2-[(Z)-4-[(1R,2R,3R,5R)-5-chloro-3-hydroxy-2-[(E,3R)-3-hydroxy-3-(2-methylcyclohexyl)prop-1-enyl]cyclopentyl]but-2-enoxy]acetic acid" . "(Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid" . "7-[(1R,2R,3R)-3-hydroxy-2-[(E,4S)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]-5-oxocyclopentyl]heptanoic acid" . "(5Z)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid" . "(Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid" . "(5E)-5-[(3aS,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid" . "9-oxo-6-propan-2-yloxyxanthene-2-carboxylic acid" . "7-[3-[(2-cyclohexyl-2-hydroxyethyl)amino]-2,5-dioxo-1-(phenylmethyl)imidazolidin-4-yl]heptanoic acid" . "(Z)-7-[(1R,2R,3R,5S)-2-[(5-hydroxy1-benzothiophene-3-carbonyl)amino]-7,7-dimethyl-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid" . "7-[3-[(2-cyclohexyl-2-hydroxyethyl)amino]-2,5-dioxo-1-(phenylmethyl)imidazolidin-4-yl]heptanoic acid" . "(Z)-7-[(1R,2R,5S)-5-hydroxy-3-oxo-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acid" . "(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acid" . "5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S)-3-hydroxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid" . "(Z)-7-[(1R,4S,5R,6R)-5-[(2-(phenylcarbamoyl)hydrazinyl)methyl]-7-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid" . "(Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3R)-3-hydroxy-3-methyloct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid" . "(Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid" . "(Z)-7-[(1R,2E,5S)-5-hydroxy-2-[(E)-oct-2-enylidene]-3-oxocyclopentyl]hept-5-enoic acid" . "2-[3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid" . "2-[(1S)-9-[(4-chlorophenyl)sulfanyl]-6-fluoro-1H,2H,3H-benzo[b]pyrrolizin-1-yl]acetic acid" . "7-[(1R,2R,5S)-5-hydroxy-2-[(3S)-3-hydroxyocta-1,5-dien-1-yl]-3-oxocyclopentyl]hept-5-enoic acid" . "2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid" . "3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid" . "3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid" . "(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid" . "7-[(1R,2R)-2-[(E,3R)-3-hydroxy-4-(phenoxy)but-1-enyl]-5-oxocyclopentyl]heptanoic acid" . "4-[2-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]acetyl]cyclohexane-1-carboxylic acid" . "(Z)-7-[(1R,4S,5R,6R)-5-[(2-(phenylcarbamoyl)hydrazinyl)methyl]-7-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid" . "(5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[d]furan-2-ylidene]pentanoic acid" . "(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid" . "2-{2-[(2E,3aS,4S,5R,6aS)-5-hydroxy-4-[(3S,4S)-3-hydroxy-4-methylnona-1,6-diyn-1-yl]-octahydropentalen-2-ylidene]ethoxy}acetic acid" . "methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-(phenoxy)but-1-enyl]-5-oxocyclopentyl]hepta-4,5-dienoate" . "(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-(phenoxy)but-1-enyl]-5-oxocyclopentyl]-N-methylsulfonylhept-5-enamide" . "(Z)-6-[(7S,8R)-7-[[(4-chloro-2-methylphenyl)sulfonylamino]methyl]-8-bicyclo[2.2.2]octanyl]hex-5-enoic acid" . "(E)-3-[4-[[2-(furan-2-ylsulfonyl-(2-methylpropyl)amino)-5-(trifluoromethyl)phenoxy]methyl]phenyl]prop-2-enoic acid" . "N'-acetyl-3-chloro-6H-benzo[b][1,5]benzoxazepine-5-carbohydrazide" . "3-chloro-N'-(3-pyridin-4-ylpropanoyl)-6H-benzo[b][1,5]benzoxazepine-5-carbohydrazide" . "3-chloro-N'-[3-(furan-2-ylmethylsulfanyl)propanoyl]-6H-benzo[b][1,5]benzoxazepine-5-carbohydrazide" . "7-[(1R,2R)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid" . "(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid" . "7-[2-[4-(1-hydroxyhexyl)phenyl]-5-oxocyclopentyl]heptanoic acid" . "2-[3-[[(4-tert-butylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetic acid" . "methyl 4-[2-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-5-oxocyclopentyl]ethylsulfanyl]butanoate" . "(Z)-7-[(1R,2R,3R)-3-methoxy-2-[(E,3S)-3-methoxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid" . "7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid" . "methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoate" . "[4-(benzoylamino)phenyl] (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(2R)-2-hydroxy-3-(phenoxy)propoxy]-5-oxocyclopentyl]hept-5-enoate" . "(Z)-7-[(1S,4R,5R,6R)-5-[(E,3R)-3-hydroxy-4-(4-iodophenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid" . "(Z)-7-[(1S,2R,3R,5S)-3-[(E,3R)-3-hydroxyoct-1-enyl]-7-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid" . "(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid" . "(E)-N-(5-bromo-2-methoxyphenyl)sulfonyl-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enamide" . "4-[4-cyano-2-[2-(4-fluoronaphthalen-1-yl)propanoylamino]phenyl]butanoic acid" . "2-[[2-[(4-methyl-2-naphthalen-1-ylpentanoyl)amino]-4-(pyrazol-1-ylmethyl)phenyl]methyl]benzoic acid" . "7-[(1R,2R,3R)-2-[(E,3S)-3,7-dihydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid" . "7-[(1R,2R,3R)-3-hydroxy-2-[(3S)-3-hydroxyoctyl]-5-oxocyclopentyl]heptanoic acid" . "(Z)-7-[(1R,2R,3R)-2-[(E,3S,7R)-3,7-dihydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoic acid" . "(Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoic acid" . "(E)-7-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoic acid" . "N-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-5-methylthiophene-2-carboxamide" . "2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]-N-phenylsulfonylacetamide" . "7-[(1R,2R,3R,5S)-2-[(3R)-4-(3-chlorophenoxy)-3-hydroxybutyl]-3,5-dihydroxycyclopentyl]heptanoic acid" . "(Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid" . "(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-2,3-ditritiooct-1-enyl]-1,2,3,5-tetratritiocyclopentyl]-5,6-ditritiohept-5-enoic acid" . "(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide" . "(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoic acid" . "(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid" . "(E)-7-[3-[[2-hydroxy-3-(4-hydroxy-3-iodophenyl)propyl]amino]-7,7-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid" . "(Z)-7-[(1R,2S,3S,5S)-3-[(4-iodophenyl)sulfonylamino]-7,7-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid" . "(5Z)-7-[(1S,2R,3R,4R)-3-{[({[4-(125I)iodophenyl]carbamoyl}amino)amino]methyl}-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid" . "(Z)-7-[(1R,4S,5S,6S)-5-(phenylsulfonylamino)-6-bicyclo[2.2.1]heptanyl]hept-5-enoic acid" . "propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate" . "(5Z)-5-[(3aR,4R,5R,6aS)-3,3-difluoro-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]furan-2-ylidene]pentanoic acid" . "2-[3-[4-[4,5-di(phenyl)-1,3-oxazol-2-yl]-1,3-oxazol-5-yl]phenoxy]acetic acid" . "2-[[5-[2-[(phenyl-pyridin-3-ylmethylidene)amino]oxyethyl]-7,8-dihydronaphthalen-1-yl]oxy]acetic acid" . "5-[(5R,6R)-5-hydroxy-6-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid" . "(5Z)-5-[(3aS,4R,5R,6aR)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-1-tritio-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid" . "4-{4-hydroxy-3-[(1E)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]-7-oxatricyclo[6.4.0.0^{2,6}]dodeca-1(12),8,10-trien-9-yl}butanoic acid" . "3-[(Z)-[(3aR,4R,5R,6aS)-4-[(E,3S)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[d]furan-2-ylidene]methyl]benzoic acid" . "N-[4-[(4-propan-2-yloxyphenyl)methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine" . "(Z)-7-[(2S,3R)-3-[(E,3S)-3-hydroxyoct-1-enyl]-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid" . "(Z)-7-[(1S,4R,5R,6R)-5-[(E,3S)-4-(4-fluorophenoxy)-3-hydroxybut-1-enyl]-7-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid" . "(Z)-7-[(1S,2R,3R,4R)-3-[(E,3S)-3-hydroxyoct-1-enyl]-5,6-dioxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid" . "(5E)-7-[(1S,2R,3R,4R)-3-[(1E,3R)-3-hydroxy-4-[4-(125I)iodophenoxy]but-1-en-1-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid" . "(Z)-7-[(1S,4R,5R,6S)-5-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid" . "(Z)-7-[(1R,2R,3S,5S)-3-hydroxy-5-[(4-phenylphenyl)methoxy]-2-piperidin-1-ylcyclopentyl]hept-4-enoic acid" . "(11E)-11-[2-(5,6-dimethylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate" . "(Z)-7-[(1S,2S,3S,5R)-3-[[(2R)-2-cyclopentyl-2-hydroxyacetyl]amino]-7,7-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid" . "(Z)-7-[(1R,4S,5S,6S)-5-(phenylsulfonylamino)-6-bicyclo[2.2.1]heptanyl]hept-5-enoic acid" . "2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]acetic acid" . "3-[2-[[(1S,4R,5S,6R)-5-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-6-yl]methyl]phenyl]propanoic acid" . "(3R)-1,1-dibutyl-3-(4-phenyl-3H-imidazol-2-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indole" . "(2R)-N-(6-amino-2,2,4-trimethylhexyl)-3-naphthalen-1-yl-2-[(2-phenylethyl-(2-pyridin-2-ylethyl)carbamoyl)amino]propanamide" . "[(2S)-2-aminopropyl] (2S)-6-amino-2-[[2-(2-naphthalen-2-yl-1H-benzo[g]indol-3-yl)acetyl]amino]hexanoate" . "[(3S,6S,9S,12R,15S,18S,20R)-9-(4-aminobutyl)-12-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-15-phenyl-6-[[4-(phenylmethoxy)phenyl]methyl]-3-(phenylmethyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-20-yl] N-(2-aminoethyl)carbamate" . "[(3R,4aR,10aR)-6-methoxy-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone" . "(3R)-1,1-dipentyl-3-(4-phenyl-3H-imidazol-2-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indole" . "methyl (2S)-6-amino-2-[[(2R)-2-[[(2S)-1-[(4-nitrophenyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamoylamino]hexanoyl]amino]hexanoate" . "10-(4-aminobutyl)-N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-19-[(2-amino-3-naphthalen-2-ylpropanoyl)amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide" . "tert-butyl (2S)-6-amino-2-[[(2R,3S)-3-(1H-indol-3-yl)-2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]amino]butanoyl]amino]hexanoate" . "N-[(2R,3S)-1-[[(1R,3R)-3-(aminomethyl)cyclohexyl]methylamino]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide" . "(3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-15-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-1,18-dimethyl-3-(phenylmethyl)-6-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone" . "10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-N-(1,3-dihydroxybutan-2-yl)-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-16-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide" . "[(4S,4aS,8aR)-2-[3-(6-methoxypyridin-3-yl)-2-methylpropyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-4-yl]-[4-(3,4-difluorophenyl)piperazin-1-yl]methanone" . "methyl (2S)-5-(diaminomethylideneamino)-2-[4-(5,7-difluoro-2-phenyl-1H-indol-3-yl)butanoylamino]pentanoate" . "(4R,7S,10S,13S,16R,19S,22S,25R)-25-amino-13-(4-aminobutyl)-10-(1-hydroxyethyl)-16-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24-heptaoxo-7,19,22-tris(phenylmethyl)-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carboxamide" . "(3S)-3-[[(2S)-6-amino-2-[[(2S)-3-hydroxy-2-[[(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid" . "3-amino-4-[[1-[2-[[6-amino-1-[[1-[[1-[[5-amino-1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid" . "(3S)-3-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(3H-imidazol-4-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid" . "(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(3H-imidazol-4-yl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid" . "4-[2-[[4-amino-1-[[6-amino-1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxo-3-[2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoylamino]butanoic acid" . "(2S)-N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide" . "(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide" . "(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine" . "N-[(18Z)-6-(2-amino-2-oxoethyl)-9-(1-hydroxyethyl)-3-(hydroxymethyl)-18-[(4-hydroxyphenyl)methylidene]-19,22-dimethyl-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-12-(phenylmethyl)-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-3-(2-pentylphenyl)propanamide" . "(7R,8R)-7-[di(phenyl)methyl]-N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-8-amine" . "3,5-dichloro-N-[(2Z,3R)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-[4-[(3R)-3-(2-methylamino-2-oxoethyl)-2-oxopiperidin-1-yl]piperidin-1-yl]pentyl]-N-methylbenzamide" . "1-[(3S)-3-(3,4-dichlorophenyl)-3-[2-(4-phenyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethyl]piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone" . "3-cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-[2-[(S)-methylsulfinyl]phenyl]piperidin-1-yl]butyl]-N-methylnaphthalene-1-carboxamide" . "N-[1-[3-[(3R)-1-(benzoyl)-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]-N-methylacetamide" . "N-[(2S)-4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide" . "(2S,4R)-4-hydroxy-1-(1-methylindole-3-carbonyl)-N-[(2S)-1-(methyl-(phenylmethyl)amino)-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide" . "5-fluoro-3-[2-[4-methoxy-4-[[(R)-phenylsulfinyl]methyl]piperidin-1-yl]ethyl]-1H-indole" . "(3S)-3-amino-4-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid" . "6-methyl-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide" . "(3S)-3-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid" . "N-[2-(3,4-dichlorophenyl)-4-(3-oxospiro[2,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)butyl]-3,4,5-trimethoxy-N-methylbenzamide" . "N-[2-(3,4-dichlorophenyl)-4-(3-oxospiro[2,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)butyl]-4-fluoro-N-methylbenzamide" . "1-[3-(3,4-dichlorophenyl)-3-[2-(1-methyl-4-phenylpiperidin-1-ium-1-yl)ethyl]piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone" . "(2S)-2-[[(3S,6S,9S,12S)-12-[[(2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-2-amino-4-oxobutanoyl]amino]-9-(1H-indol-3-ylmethyl)-5,8,11,14-tetraoxo-6-(phenylmethyl)1,4,7,10-tetrazacyclotetradecane-3-carbonyl]amino]-4-methylpentanoic acid" . "tert-butyl N-[(2S)-1-[[(2R)-1-[7-(carbamoylamino)heptylamino]-2-methyl-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate" . "(3S)-4-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-[(4-hydroxy-4-oxobutanoyl)amino]-4-oxobutanoic acid" . "methyl N-[(3-methoxy-2-phenylquinoline-4-carbonyl)amino]-N-phenylcarbamate" . "methyl N-[[3-[(4-tert-butylpiperazin-1-yl)methyl]-8-fluoro-2-phenylquinoline-4-carbonyl]amino]-N-phenylcarbamate" . "3-methyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide" . "3-hydroxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide" . "3-[1-[3-[(3R)-1-(benzoyl)-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]-1,1-dimethylurea" . "(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide" . "(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide" . "(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide" . "(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide" . "2-phenylethanamine" . "4-[4-(2-aminoethyl)phenoxy]-2-iodophenol" . "(2R)-1-phenylpropan-2-amine" . "(2S)-1-phenylpropan-2-amine" . "4-(2-Aminoethyl)phenol" . "4-(2-amino-1-hydroxyethyl)phenol" . "4-(2-Aminoethyl)phenol" . "3-(4-chlorophenyl)-3-(2-dimethylaminoethyl)isochroman-1-one" . "(2S)-2-[[(4R,7S,10S,13S,16S,19R)-10-(4-aminobutyl)-19-[[(2S)-2-aminopropanoyl]amino]-16-(cyclohexylmethyl)-7-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-methylbutanoic acid" . "1-[(3-carbamimidoylphenyl)methyl]-4-methyl-N-(naphthalen-1-ylmethyl)indole-2-carboxamide" . "3,4-dichloro-N-[(3S)-1-[[4-(3-dimethylaminopropoxy)phenyl]methyl]pyrrolidin-3-yl]benzamide" . "2-bromo-4,5-dimethoxy-N-[3-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)phenyl]benzenesulfonamide" . "(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(phenylmethyl)1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide" . "L-cysteinyl-L-tyrosyl-(3S)-DL-isoleucyl-L-glutaminyl-L-asparagyl-L-cysteinyl-DL-prolyl-L-arginyl-glycinamide (1->6)-disulfide" . "(2S)-N-[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(phenylmethyl)1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide" . "2-[(5R)-1-(2-chloro-4-pyrrolidin-1-ylbenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]-N-propan-2-ylacetamide" . "(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide" . "(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide" . "(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(phenylmethyl)1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide" . "(2S)-N-[(2R)-1-[[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylidenepropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]butanediamide" . "1-[1-[4-(1-acetylpiperidin-4-yl)oxy-2-methoxybenzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one" . "N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(phenylmethyl)1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide" . "N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(phenylmethyl)1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide" . "(2S,4Z)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidine-2-carboxamide" . "3-[4-[(4-chlorophenyl)-[2-oxo-2-[2-(2-oxoindol-3-yl)hydrazinyl]ethyl]sulfamoyl]phenyl]-N-(3-dimethylaminopropyl)propanamide" . "N-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]acetamide" . "N-[4-(5-dimethylamino2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide" . "N-[4-[(4aS)-1,2,4,4a,5,11-hexahydro-[1,4]oxazino[3,4-c][1,4]benzodiazepine-6-carbonyl]-3-chlorophenyl]-2-phenylbenzamide" . "N-[4-(7-chloro-5-hydroxy2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide" . "4-{[(1s,4s)-5'-Ethoxy-4-[2-(4-morpholinyl)ethoxy]-2'-oxospiro[cyclohexane-1,3'-indol]-1'(2'H)-yl]sulfonyl}-3-methoxy-N-(2-methyl-2-propanyl)benzamide" . "(2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxy2H-indole-2-carbonyl]pyrrolidine-2-carboxamide" . "4-chloro-3-[(3R)-5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-ethyl-N-(pyridin-3-ylmethyl)benzamide" . "(2S,4R)-1-[(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide" . "N-[4-(2-methyl4,5-dihydro-3H-imidazo[5,4-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide" . "N-[4-[(5Z)-4,4-difluoro-5-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethylidene]2,3-dihydro-1-benzazepine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide" . "N-[4-[(5Z)-5-[2-(4-dimethylaminopiperidin-1-yl)-2-oxoethylidene]-4,4-difluoro2,3-dihydro-1-benzazepine-1-carbonyl]phenyl]-2-phenylbenzamide" . "(2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16R)-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16-[(4-ethoxyphenyl)methyl]-10-(1-hydroxyethyl)-6,9,12,15,18-pentaoxo1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide" . "(2S)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(10R,13S,16S,19S,22R)-13-(2-amino-2-oxoethyl)-22-[(4-ethoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-19-(phenylmethyl)-16-propan-2-yl7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide" . "(2R)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(10R,13S,16S,19S,22R)-13-(2-amino-2-oxoethyl)-16-(3-amino-3-oxopropyl)-22-[(4-methoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-19-(phenylmethyl)7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide" . "N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-methoxyphenyl)methyl]-20,20-dimethyl-6,9,12,15,18-pentaoxo-13-(phenylmethyl)1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide" . "N-tert-butyl-4-[5'-ethoxy-4-(2-morpholin-4-ylethoxy)-2'-oxospiro[cyclohexane-1,3'-indole]-1'-yl]sulfonyl-3-methoxybenzamide" . "(2S)-N-[(2R)-1-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-2-[[(2R,3R)-3-methyl-2-[[(2S)-2-[[(2S,3S)-3-methyl-2-[[2-(2-sulfanylidenecyclohexyl)acetyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]butanediamide" . "N-[3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide" . "(2R)-2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-ylacetamide" . "2-[6-hydroxy-7,7-dimethyl-1-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)-6-bicyclo[2.2.1]heptanyl]acetic acid" . "(2S)-1-[(2R)-2-amino-3-(3H-imidazol-4-yl)propanoyl]-N-[(2R)-1-[[(2S,3S)-1-[(2S)-2-formyl-2-(piperidine-1-carbonyl)piperidin-1-yl]-3-methyl-1-oxopent-4-en-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide" . "(2S)-2-amino-N-[(2S,3S)-1-[(2S)-1-[(2R)-2-amino-3-[2,2-bis(piperidine-1-carbonyl)imidazol-4-yl]propanoyl]-2-formylpyrrolidin-2-yl]-3-methyl-1-oxopentan-2-yl]-3-naphthalen-2-ylpropanamide" . "N-[(1S,4R,6S)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-6-bicyclo[2.2.1]heptanyl]-2-(3H-imidazol-4-yl)acetamide" . "(2S)-2-amino-N-[(1S,4R,6S)-7,7-dimethyl-1-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]-6-bicyclo[2.2.1]heptanyl]-4-methylsulfonylbutanamide" . "1-[1-[2-methoxy-4-[1-[(2-methyl-1-oxidopyridin-1-ium-3-yl)methyl]piperidin-4-yl]oxybenzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one" . "1-(diaminomethylidene)-2-phenylguanidine" . "N-(1-azabicyclo[2.2.2]octan-8-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide" . "methyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate" . "2-(3-chlorophenyl)-1-(diaminomethylidene)guanidine" . "4-amino-N-[(8R)-1-azabicyclo[2.2.2]octan-8-yl]-5-chloro-2-methoxybenzamide" . "4-amino-N-[(8S)-1-azabicyclo[2.2.2]octan-8-yl]-5-chloro-2-methoxybenzamide" . "9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one" . "1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide" . "2,2,2-Trichloroethanol" . "1$l^{5},9$l^{5},17,24-tetraazaheptacyclo[23.6.2.2^{9,16}.2^{19,22}.1^{3,7}.0^{10,15}.0^{26,31}]octatriaconta-1(31),3(38),4,6,9,11,13,15,19,21,25,27,29,32,34,36-hexadecaene-1,9-bis(ylium)" . "1$l^{5},7$l^{5},15,21-tetraazapentacyclo[20.6.2.2^{7,14}.0^{8,13}.0^{23,28}]dotriaconta-1(28),7,9,11,13,22,24,26,29,31-decaene-1,7-bis(ylium)" . "1H-Indol-5-ol" . "5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one" . "[(2S,3S)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate" . "ethanol" . "5-chloro-3H-1,3-benzoxazol-2-one" . "N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine" . "5,6-dichloro-3-ethyl-1H-benzimidazol-2-one" . "1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide" . "(1-methylindol-3-yl)-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone" . "3,3-dimethyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2H-indole-1-carboxamide" . "3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-3-yl)propan-1-one" . "2-(3-chlorophenyl)-1-(diaminomethylidene)guanidine" . "(3S)-3-(5-chloro-2-methoxyphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one" . "1,3-bis[2-hydroxy-5-(trifluoromethyl)phenyl]urea" . "11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0^{2,11}.0^{5,10}.0^{16,24}.0^{17,22}]tetracosa-9,16(24),17,19,21-pentaen-8-one" . "(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one" . "1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine" . "3-ethyl-1H-benzimidazol-2-one" . "6-(trifluoromethoxy)-1,3-benzothiazol-2-amine" . "5-chloro-1,3-benzoxazol-2-amine" . "1-[(2-chlorophenyl)-di(phenyl)methyl]imidazole" . "2,2-bis(4-fluorophenyl)-2-phenylacetamide" . "methyl 4-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-3-oxo-4,7-dihydro-1H-2-benzofuran-5-carboxylate" . "O3-ethyl O5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate" . "benzo[e][1,3]benzothiazol-2-amine" . "[(2R,3R)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate" . "3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenal" . "6-(4-fluorophenoxy)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one" . "1-[(2-chlorophenyl)-di(phenyl)methyl]pyrazole" . "N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(phenylmethyl)aniline" . "2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol" . "(1S,2S,6R,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0^{2,6}.0^{11,13}]pentadeca-3,8-dien-14-yl tetradecanoate" . "(S)-[(4S,5R,7R)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol" . "tetraethylazanium" . "2-amino-9-[(1S,6R,8R,9R)-3,9-dihydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]-3H-purin-6-one" . "N-(2-methylaminoethyl)isoquinoline-5-sulfonamide" . "(1S,6R,8R,9R)-8-(6-aminopurin-9-yl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol" . "3-[[(3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one" . "3-[3-[[(8S)-3,4-dimethoxy-8-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one" . "3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one" . "N-ethyl-1,2-dimethyl-6-methylimino-N-phenylpyrimidin-4-amine" . "(1R,11S,18S,20R,21R,22S)-12-oxa-8,17-diazaheptacyclo[15.5.2.0^{1,18}.0^{2,7}.0^{8,22}.0^{11,21}.0^{15,20}]tetracosa-2,4,6,14-tetraen-9-one" . "5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid" . "3-ethyl-3-methylthiolan-2-one" . "(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide" . "3-Aminopropanoic acid" . "(1S,4R,7R,8S,9R,11S)-9-tert-butyl-7,9-dihydroxy-3,5,12-trioxatetracyclo[6.6.0.0^{1,11}.0^{4,8}]tetradecane-2,6,13-trione" . "N-[(3R,4S)-4-(cyclopropylamino)-3-hydroxy-2,2-dimethyl-7-nitrochroman-6-yl]-2-(4-methoxyphenyl)acetamide" . "3-isothiocyanatoprop-1-ene" . "(5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoic acid" . "(5Z,8Z,11Z,13E,15S)-15-hydroperoxyicosa-5,8,11,13-tetraenoic acid" . "N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide" . "cyano-tri(phenyl)boron" . "(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one" . "(1'R,2R,4'S,10'E,14'E,16'E,21'R)-6-(butan-2-yl)-21',24'-dihydroxy-12'-{[(2R,4S,6S)-5-{[(2S,4S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-tetraen-2'-one" . "butyl 9H-pyrido[5,4-b]indole-3-carboxylate" . "4-tert-butyl-1-oxothian-4-ol" . "1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone" . "(2-acetyloxy-3-hydroxypropyl) (E)-octadec-9-enoate" . "[(2S)-1-hydroxy-3-octadecanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate" . "(5S,6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoic acid" . "(8S,9S,10R,13S,14S,17S)-17-Acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one" . "(3aS,3bS,5aR,7S,9aS,9bS,11aS)-2-amino-7-hydroxy-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,7,8,9,9b,11-dodecahydronaphtho[2,1-e]indol-10-one" . "2-aminoethanesulfonic acid" . "S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (Z)-octadec-9-enethioate" . "[(2R)-3-[hydroxy-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate" . "but-2-ynedinitrile" . "N-(3-aminopropyl)butane-1,4-diamine" . "(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid" . "2,3,4,5-tetrachloro-6-(3-hydroxy-2,4,5,7-tetraiodo-6-oxoxanthen-9-yl)benzoic acid" . "5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide" . "7-chloro-3-methyl-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide" . "1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide" . "3-(9-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine" . "3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine" . "1-Chloro-1,2,2-trifluorocyclobutane" . "2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE" . "[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate" . "(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol" . "(1R,2R,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol" . "methyl({3-[(2E)-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-2-ylidene]propyl})amine" . "[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-triethylazanium" . "2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile" . "2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol" . "2-(pyridine-3-carbonylamino)ethyl nitrate" . "3-cyano-2-(3,3-dimethylbutan-2-yl)-1-pyridin-4-ylguanidine" . "3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chroman-6-carbonitrile" . "5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide" . "pyridin-4-amine" . "3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide" . "(E)-3-phenylprop-2-enal" . "(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol" . "2-[4,6-diamino-3-[3-amino-6-(1-methylaminoethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-methylaminooxane-3,5-diol" . "(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one" . "1-(2-hydroxyphenyl)-4-(3-nitrophenyl)-3,6-dihydropyrimidin-2-one" . "(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol" . "Methyl 2-hydroxybenzoate" . "2-di(phenyl)boranyloxyethanamine" . "[(2S)-1-hydroxy-3-octanoyloxypropan-2-yl] octanoate" . "N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide" . "2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylic acid" . "1-[2-(4-Methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl]imidazole" . "[(2S)-1-hydroxy-3-octadecanoyloxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate" . "2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid" . "[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentoxy]phosphoryl] hydrogen phosphate" . "(2R,3R,4S,5R,13R,14S,15R,16R)-3,4,8,10,14,15-hexahydroxy-24-imino-7,9,11,25,26-pentaoxa-1,17,19,22-tetraaza-8$l^{5},10$l^{5}-diphosphapentacyclo[18.3.1.1^{2,5}.1^{13,16}.0^{17,21}]hexacosa-18,20,22-triene-8,10-dione" . "1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole" . "2-[[3-(Trifluoromethyl)phenyl]amino]benzoic acid" . "1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole" . "1-[(2R,3R,4S,5R)-5-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyridin-1-ium-3-carboxylic acid" . "[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate" . "(2S,3R)-2-aminooctadec-4-ene-1,3-diol" . "(2S,3R)-2-aminooctadecane-1,3-diol" . "(E,2R,3S)-2-dimethylaminooctadec-4-ene-1,3-diol" . "[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate" . "[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]phosphonic acid" . "N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)piperazine-1-carboxamide" . "N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide" . "(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol" . "3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol" . "4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane" . "(9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decan-2-yl)methanol" . "[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxypropanoate" . "(2E)-3,7-dimethylocta-2,6-dien-1-ol" . "7-HYDROXY-3,7-DIMETHYLOCTANAL" . "3,7-Dimethylocta-1,6-dien-3-ol" . "N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)piperazine-1-carbothioamide" . "N-[3-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-3-yl)acetamide" . "(5Z,8Z,11Z,14Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]icosa-5,8,11,14-tetraenamide" . "N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide" . "(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid" . "(Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enamide" . "(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one" . "di(phenyl)boranyloxy-di(phenyl)borane" . "2-methyl-5-propan-2-ylphenol" . "2,2-di(phenyl)oxolane" . "5-methyl-2-propan-2-ylphenol" . "3-[(E)-2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-5-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-(2-oxo-5H-furan-3-yl)ethyl]-5H-furan-2-one" . "Chloroform" . "(3S)-3-amino-4-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-oxobutanoic acid" . "2-Chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane" . "(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide" . "4-(4-chlorophenyl)butyl-diethyl-heptylazanium" . "[(2R)-3-acetyloxy-2-hydroxypropyl] 2-trimethylazaniumylethyl phosphate" . "N-pentyl-1-(phenylmethyl)quinolin-4-imine" . "(R)-[(4S,5R,7S)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol" . "methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate" . "[5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate" . "O5-methyl O3-propan-2-yl (4S)-4-(2,1,3-benzoxadiazol-7-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate" . "dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate" . "(2S)-2-(3,4-dimethoxyphenyl)-5-[2-(3-methoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile" . "(2S)-2-(3,4-dimethoxyphenyl)-5-[2-(3-methoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile" . "methyl 2,5-dimethyl-4-[2-(phenylmethyl)benzoyl]-1H-pyrrole-3-carboxylate" . "2-(phenyl-(phenylmethyl)amino)ethyl (4R)-5-(5,5-dimethyl-2-oxo-1,3-dioxa-2$l^{5}-phosphacyclohex-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate" . "[(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] 2-methoxyacetate" . "O5-(2-methoxyethyl) O3-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate" . "O5-methyl O3-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate" . "3,7-bis(cyclopropylmethyl)spiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane]" . "(E)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-enamide" . "4-[4-(phenoxy)butoxy]furo[3,2-g]chromen-7-one" . "O5-methyl O3-[2-(methyl-(phenylmethyl)amino)ethyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate" . "N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide" . "1-[2-(2-hydroxy-3-propylaminopropoxy)phenyl]-3-phenylpropan-1-one" . "phenylmethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate" . "(2-butyl-1-benzofuran-3-yl)-[4-(2-diethylaminoethoxy)-3,5-diiodophenyl]methanone" . "1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one" . "1-[4-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone" . "3-(6-bicyclo[2.2.1]heptanyl)benzene-1,2-diol" . "1-hexadecyl-4-aza-1-azoniabicyclo[2.2.2]octane" . "1,4-diazabicyclo[2.2.2]octane" . "5-ethyl-5-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione" . "2-[4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl]sulfanylacetic acid" . "3-[(2S)-1-methylpyrrolidin-2-yl]pyridine" . "1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine" . "1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione" . "N-[(3R,4S)-3-hydroxy-2,2-dimethyl-6-(4,4,4-trifluorobutoxy)chroman-4-yl]-N-methylethanesulfonamide" . "N-butyl-N-(6-cyano-2,2-dimethylchroman-4-yl)ethanesulfonamide" . "(E)-3-(2,4-dichlorophenyl)-N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]prop-2-enamide" . "2-[(2,3-Dimethylphenyl)amino]benzoic acid" . "(3R)-5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1-methyl-3H-1,4-benzodiazepin-2-one" . "10,10-bis(pyridin-4-ylmethyl)anthracen-9-one" . "zinc 1-oxidopyridine-2-thione" . "ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamate" . "ethyl N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]carbamate" . "1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine" . "N-[4-[2-[2-(4-methanesulfonamidophenyl)ethyl-methylamino]ethoxy]phenyl]methanesulfonamide" . "N-[4-[1-[2-(6-methylpyridin-2-yl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide" . "N-ethyl-N-[4-(4-nitrophenyl)butyl]heptan-1-amine" . "N-[(4R)-1'-[(2R)-6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-4-hydroxyspiro[chroman-2,4'-piperidine]-6-yl]methanesulfonamide" . "1-(4-tert-butylphenyl)-4-[4-[hydroxy-di(phenyl)methyl]piperidin-1-yl]butan-1-ol" . "(2S)-3-[4-[2-(1,3-benzoxazol-2-yl-methylamino)ethoxy]phenyl]-2-(2,2,2-trifluoroethoxy)propanoic acid" . "1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one" . "(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-8-(acetyloxy)-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-4-yl benzoate" . "N-(2,6-dimethylphenyl)-2-(ethyl-propylamino)butanamide" . "6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine" . "(2R)-3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-(2,2,2-trifluoroethoxy)propanoic acid" . "2-diethylamino-N-(2,6-dimethylphenyl)acetamide" . "5,5-di(phenyl)imidazolidine-2,4-dione" . "[(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate" . "1-(2,6-dimethylphenoxy)propan-2-amine" . "2-[4-[[4-hydroxy-3-[2-(4-nitrophenyl)ethynyl]-5-propan-2-ylphenyl]methyl]-3,5-dimethylphenoxy]acetic acid" . "(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid" . "2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid" . "(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid" . "2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]propanoic acid" . "2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid" . "2-[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]acetic acid" . "2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetic acid" . "4-[2-[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid" . "4-[(E)-2-[5,5-dimethyl-8-(2-phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl]benzoic acid" . "4-[(E)-2-(7-heptoxy-4,4-dimethyl-1,1-dioxo-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoic acid" . "4-[(5,5-dimethyl-8-quinolin-3-yl6H-naphthalene-2-carbonyl)amino]benzoic acid" . "3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid" . "(2E,4E,6Z,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid" . "5-({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione" . "4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid" . "4-[(5,5,8,8-tetramethyl6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid" . "4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoic acid" . "4-[(4-bromo-3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]-2,6-difluorobenzoic acid" . "4-[(1,1,3,3-tetramethyl-2-oxoindene-5-carbonyl)amino]benzoic acid" . "3-chloro-4-[(E)-2-(5,5-dimethyl-8-phenyl-6H-naphthalen-2-yl)ethenyl]benzoic acid" . "4-[(E)-3-hydroxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid" . "3-fluoro-4-[[(2R)-2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]amino]benzoic acid" . "4-[7-(1-adamantyl)-6-(2-methoxyethoxymethoxy)naphthalen-2-yl]benzoic acid" . "3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid" . "(2S)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-[[(Z)-4-oxo-4-phenylbut-2-en-2-yl]amino]propanoic acid" . "(2S)-2-methyl-3-[4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-(phenoxy)propanoic acid" . "2-methyl-2-[4-[3-[1-[(4-methylphenyl)methyl]-5-oxo-2H-1,2,4-triazol-3-yl]propyl]phenoxy]propanoic acid" . "2-methyl-2-[4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]phenoxy]propanoic acid" . "(Z)-N-(2-hydroxyethyl)octadec-9-enamide" . "(2S)-2-ethoxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid" . "Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate" . "2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoic acid" . "icosa-5,8,11,14-tetraynoic acid" . "4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1,2-oxazolidine-3,5-dione" . "5-[[4-[2-(4-oxo-2H-1,3-benzoxazin-3-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione" . "(2S)-2-[[2-(benzoyl)phenyl]amino]-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid" . "2-[4-[2-[(2,4-difluorophenyl)carbamoyl-heptylamino]ethyl]phenyl]sulfanyl-2-methylpropanoic acid" . "2-[4-[2-(4-cyclohexylbutyl-(cyclohexylcarbamoyl)amino)ethyl]phenyl]sulfanyl-2-methylpropanoic acid" . "(4E)-4-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-4-phenylbutanoic acid" . "(2S,6R,10R)-2,6,10,14-tetramethylpentadecanoic acid" . "5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide" . "(5Z,8S,9E,11Z,14Z)-8-hydroxyicosa-5,9,11,14-tetraenoic acid" . "(2S)-2-[4-[2-[(2,4-difluorophenyl)carbamoyl-heptylamino]ethyl]phenoxy]-2-methylbutanoic acid" . "4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol" . "5-chloro-1-[(4-chlorophenyl)methyl]-3-(phenylsulfanyl)-1H-indole-2-carboxylic acid" . "2-[4-[3-[2-(2-chloro-6-fluorophenyl)ethyl-[(2,3-dichlorophenyl)carbamoyl]amino]propyl]phenoxy]-2-methylpropanoic acid" . "[(2R)-1-(2-aminoethoxy-hydroxyphosphoryl)oxy-3-pentadecanoyloxypropan-2-yl] icosanoate" . "2-tetradecyloxirane-2-carboxylic acid" . "2-[4-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-2-methylphenoxy]acetic acid" . "2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]acetic acid" . "2-[3-chloro-4-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propylsulfanyl]phenyl]acetic acid" . "2-[3-chloro-4-[3-[(3-phenyl-7-propyl-1-benzofuran-6-yl)oxy]propylsulfanyl]phenyl]acetic acid" . "2-[3-chloro-4-[3-[(3-ethyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propylsulfanyl]phenyl]acetic acid" . "2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy]acetic acid" . "(Z)-7-[(1S,5E)-5-[(E)-oct-2-enylidene]-4-oxo-1-cyclopent-2-enyl]hept-5-enoic acid" . "5-[[4-[(6-hydroxy-2,5,7,8-tetramethylchroman-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione" . "5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione" . "4-[4-[(2S,5S)-5-[2-(bis(phenylmethyl)amino)-2-oxoethyl]-2-heptyl-4-oxo-1,3-thiazolidin-3-yl]butyl]benzoic acid" . "2-chloro-3-(phenylsulfonylmethyl)quinoxaline" . "5-Amino-2-hydroxybenzoic acid" . "5-[[4-[2-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione" . "5-[[4-[2-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione" . "(2S)-2-[[2-(benzoyl)phenyl]amino]-3-[4-[2-(methyl-pyridin-2-ylamino)ethoxy]phenyl]propanoic acid" . "(2S)-2-[(2-methoxycarbonylphenyl)amino]-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid" . "2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid" . "2-[4-[2-[(2,4-difluoro-6-tritiophenyl)carbamoyl-heptylamino]ethyl]phenoxy]-2-methylbutanoic acid" . "5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione" . "2-[4-[2-[4-(oxiran-2-yloxy)phenyl]propan-2-yl]phenoxy]oxirane" . "(5Z)-5-[[4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione" . "(2S)-3-(4-{2-[(1,3-benzoxazol-2-yl)(methyl)amino]ethoxy}-3-(125I)iodophenyl)-2-ethoxypropanoic acid" . "5-[[4-[(1-methylcyclohexyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione" . "2-[4-(2-methylpropyl)phenyl]propanoic acid" . "2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetic acid" . "2-[2-[2-[4-(phenoxy)-2-propylphenoxy]ethyl]-1H-indol-5-yl]acetic acid" . "(4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylic acid" . "10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol" . "O5-methyl O3-propan-2-yl (4S)-4-(2,1,3-benzoxadiazol-7-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate" . "[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate" . "[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate" . "(2E,4E,6E)-7-(3,5-ditert-butylphenyl)-3-methylocta-2,4,6-trienoic acid" . "(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxo-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid" . "(3S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol" . "3-[(E)-2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]ethenyl]benzoic acid" . "methyl (Z)-3-[3-[cyclohexanecarbonyl-[[4-(4-dimethylaminophenyl)phenyl]methyl]amino]phenyl]prop-2-enoate" . "(8R,9S,10R,13S,14S,17E)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione" . "(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol" . "(5R,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one" . "(3R,5S,8S,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol" . "(3R,5S,8R,9S,10S,13R,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol" . "(1S,3Z)-3-[(2E)-2-[(1R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol" . "(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol" . "(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol" . "(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol" . "(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,6R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol" . "[(1S,4aS,10aR)-6-acetyloxy-1,4a-dimethyl2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl] (1S,4aS,10aR)-6-acetyloxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate" . "2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-[2,2-di(phenyl)ethyl]amino]propoxy]phenyl]acetic acid" . "N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide" . "3,5-dichloro-2-[4-(3,5-dichloropyridin-2-yl)oxyphenoxy]pyridine" . "1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine" . "1-[6-(4-chlorophenyl)imidazo[2,3-b][1,3]thiazol-5-yl]-N-[(3,4-dichlorophenyl)methoxy]methanimine" . "(3S,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carbonitrile" . "4-[2,2-bis(diethoxyphosphoryl)ethenyl]-2,6-ditert-butylphenol" . "(1R,5S,6R,7S)-4-hydroxy-6-methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione" . "(4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid" . "(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol" . "(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one" . "(9S,10R)-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.0^{2,7}]hexadeca-1(16),2,4,6,12,14-hexaene" . "(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate" . "2-(3,7-dimethylocta-2,6-dienyl)-3-methylnaphthalene-1,4-dione" . "benzyl N-[(R)-[(1S,2S)-2-methyl-2-[(propan-2-yl)carbamoyl]cyclopropyl](phenyl)methyl]carbamate" . "benzyl N-({2-methyl-2-[(propan-2-yl)carbamoyl]cyclopropyl}(phenyl)methyl)carbamate" . "(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1R)-1-(4-ethyl-4-hydroxyhexoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol" . "(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol" . "(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3E,5E)-7-ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol" . "(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol" . "(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol" . "(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol" . "(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol" . "(1R,3S,5Z)-5-{2-[(1R,4E,7aR)-1-(2,10-dihydroxy-2,10-dimethylundecan-6-yl)-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol" . "(1R,2R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol" . "(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol" . "(1R,3Z,5S)-3-[(2E)-2-[(3aS,7aS)-1-[(E,2S)-6-ethyl-6-hydroxyoct-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-fluoro-4-methylidenecyclohexan-1-ol" . "(3R,5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-hydroxy-3-methyloxolan-2-one" . "3-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]propane-1,2-diol" . "(5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methylideneoxolan-2-one" . "butyl 1-[(E,1R,4R)-4-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-hydroxypent-2-enyl]cyclopropane-1-carboxylate" . "(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol" . "(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol" . "[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1S,2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate" . "[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(2R,3R,5S,6R)-2,4,6-trihydroxy-3,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate" . "2-[[(2R)-2,3-di(hexadecanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium" . "4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol" . "(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene" . "(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol" . "5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione" . "(8S,11R,13S,14S,17S)-11-(4-dimethylaminophenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one" . "Tetradecanoic acid" . "4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid" . "6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid" . "4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzoic acid" . "(E)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-6, 7-dihydronaphthalen-2-yl)phenyl]prop-2-enoic acid" . "(2E,4E)-3-methyl-5-[2-methyl-2-(5,5,8,8-tetramethyl-6, 7-dihydronaphthalen-2-yl)cyclopropyl]penta-2,4-dienoic acid" . "(2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid" . "3,7,11,15-Tetramethylhexadecanoic acid" . "(2E,4E,6Z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-6, 7-dihydronaphthalen-2-yl)octa-2,4,6-trienoic acid" . "2-[methyl-(5,5,8,8-tetramethyl-3-pentoxy-6, 7-dihydronaphthalen-2-yl)amino]pyrimidine-5-carboxylic acid" . "(2E)-3-{4-hydroxy-3-[5,5,8,8-tetramethyl-3-(pentyloxy)-5,6,7,8-tetrahydronaphthalen-2-yl]phenyl}prop-2-enoic acid" . "4-[(Z)-1-[4-(2-dimethylaminoethyloxy)phenyl]-1-phenylbut-1-en-2-yl] phenol" . "(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one" . "4,4',4''-(4-propyl-1H-pyrazole-1,3,5-triyl)triphenol" . "[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone" . "2-(4-{4-[4-({[(1R)-1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]phenyl}phenyl)acetic acid" . "(4R,6S)-6-[(E)-2-[6-chloro-4-(4-fluorophenyl)-2-(propan-2-yl)quinolin-3-yl]ethenyl]-4-hydroxyoxan-2-one" . "(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16, 17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol" . "(5R,11R)-5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol" . "4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol" . "2,3-bis(4-hydroxyphenyl)propanenitrile" . "5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one" . "4-[2,2,2-trichloro-1-(4-hydroxyphenyl)ethyl]phenol" . "7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one" . "5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one" . "1,2,3,4,7,7-hexachloro-6,6-bis(chloromethyl)-5-methylidenebicyclo[2.2.1]heptane" . "1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoindene" . "(E)-3-[4-[[2, 4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyano-N-[5- (trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide" . "1-cyclohexyl-N-[[1-(4-methylphenyl)indol-3-yl]methyl]methanamine" . "N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide" . "4-hydroxy-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide" . "(2-hydroxy-3-phosphonooxypropyl) (Z)-octadec-9-enoate" . "(4R,6S)-6-[[2-[chloro(cyclohexyl)methyl]-4,6-dimethylphenoxy]methyl]-4-hydroxyoxan-2-one" . "(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol" . "(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one" . "(8S,13S,14S,17S)-17-hydroxy-13,17-dimethyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one" . "(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one" . "(7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-7,13,17-trimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one" . "(8R,9S,10R,13S,14S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione" . "(8S,9R,10S,11S,13S,14S,17S)-9-fluoro-11,17-dihydroxy-10,13,17-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one" . "2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide" . "N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide" . "3-[[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]methylsulfanyl]propanoic acid" . "5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione" . "(1R,3aS,3bR,7aR,8aS,8bS,8cS,10aS)-1-acetyl-5-chloro-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl acetate" . "(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one" . "(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-fluoro-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one" . "(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one" . "(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one" . "(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one" . "(8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one" . "(8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde" . "(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one" . "(1R,2R,4R,10R,11S,14S,15S,16S,18S,19S)-10,14-dimethylspiro[hexacyclo[9.8.0.0^{2,4}.0^{5,10}.0^{14,19}.0^{16,18}]nonadecane-15,2'-oxolan]-5-ene-5',7-dione" . "(9Z)-octadec-9-enamido]-3-[4-(pyridin-3-ylmethoxy)phenyl]propoxy]phosphonic acid" . "[(2R)-2-[[(Z)-octadec-9-enoyl]amino]-3-[4-(phenylmethoxy)phenyl]propyl] dihydrogen phosphate" . "phosphono [(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate" . "S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate" . "methyl (1'R,2R,2'S,9'R,10'R,11'S,15'S,17'R)-2',15'-dimethyl-5,5'-dioxo-18'-oxaspiro[oxolane-2,14'-pentacyclo[8.8.0.0^{1,17}.0^{2,7}.0^{11,15}]octadecan]-6'-ene-9'-carboxylate" . "(8S,13S,14S,17S)-13,17-dimethyl-17-propanoyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one" . "(8S,9R,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one" . "(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one" . "[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] dihydrogen phosphate" . "(2S)-2-methoxy-3-(thiophosphonooxy)propyl (9Z)-octadec-9-enoate" . "[(2S)-2-methoxy-3-[(9Z)-octadec-9-en-1-yloxy]propoxy](sulfanylidene)phosphonous acid" . "[(3S)-1-fluoro-3-methoxy-4-[(9E)-octadec-9-enoyloxy]butyl]phosphonic acid" . "[(2R)-3-(hydroxy-phosphonooxyphosphoryl)oxy-2-octanoyloxypropyl] octanoate" . "(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one" . "(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one" . "(8S,11R,13R,14S,17S)-11-(4-dimethylaminophenyl)-17-hydroxy-17-(3-hydroxypropyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one" . "(8S,11R,13S,14S,17S)-11-[4-[(E)-hydroxyiminomethyl]phenyl]-17-methoxy-17-(methoxymethyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one" . "(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol" . "(2R)-2-[(1S)-6,7-dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-2-phenylacetamide" . "[(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone" . "3-(2,6-dichloropyridin-4-yl)-1-[(1,3-dimethyl-4-propan-2-ylpyrazolo[4,5-e]pyridin-6-yl)amino]urea" . "(4R)-6-{2-[4-(4-fluorophenyl)-6-phenyl-2-(propan-2-yl)pyridin-3-yl]ethyl}-4-hydroxyoxan-2-one" . "(4R)-6-{2-[2-ethyl-4-(4-fluorophenyl)-6-phenylpyridin-3-yl]ethyl}-4-hydroxyoxan-2-one" . "4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide" . "4-(4-methylsulfonylphenyl)-3-phenyl-5H-furan-2-one" . "4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide" . "N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylpropanamide" . "(6E)-8-[(9Z)-3,6-difluoro-9H-fluoren-9-ylidene]-3,5-dihydroxy-8-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)oct-6-enoate" . "(4R)-6-[2-(4-fluorophenyl)-4,6-bis(propan-2-yl)phenoxymethyl]-4-hydroxyoxan-2-one" . "5-chloro-2-(6-methylpyridin-3-yl)-3-(4-methylsulfonylphenyl)pyridine" . "2-[2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl]acetic acid" . "6-dimethyl-5H,6H-imidazo[2,1-b][1,3]thiazol-3-yl}methyl)sulfanyl]methanimidamide" . "N,N'-dicyclohexyl({5H,6H-imidazo[2,1-b][1,3]thiazol-3-ylmethyl}sulfanyl)methanimidamide" . "(5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoic acid" . "tert-butyl 2-[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]acetate" . "ethyl 2-{[5-(methylsulfanyl)thiophen-2-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylate" . "4-oxo-1H-quinoline-2-carboxylic acid" . "5-(2-propoxyphenyl)-2,3-dihydrotriazolo[4,5-e]pyrimidin-7-one" . "4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid" . "[(2S,3R)-2-amino-3-hydroxyoctadecyl] dihydrogen phosphate" . "[(2S,3S,4R)-2-amino-3,4-dihydroxyoctadecyl] dihydrogen phosphate" . "[2-amino-2-(2-{2-chloro-4-[(3-phenoxyphenyl)sulfanyl]phenyl}ethyl)-3-hydroxypropoxy]phosphonic acid" . "[2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate" . "3-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophen-5-yl]methylamino]propanoic acid" . "5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole" . "4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine" . "2-({4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl}amino)ethan-1-ol" . "1-[[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid" . "[(3R)-3-amino-4-[(3-octylphenyl)amino]-4-oxobutyl]phosphonic acid" . "[(3R)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]phosphonic acid" . "(2S)-2-hydroxypropanoic acid" . "(3S)-3-hydroxyoctanoic acid" . "(2R)-2-hydroxypropanoic acid" . "{3-hydroxy-2-[(9Z)-octadec-9-enoyloxy]propoxy}phosphonic acid" . "[(2R)-2-amino-4-(4-heptoxyphenyl)-2-methylbutyl] dihydrogen phosphate" . "(5E)-octadec-5-en-7,9-diynoic acid" . "(4S,6S)-6-{2-[1-benzyl-5-(4-fluorophenyl)-3-(propan-2-yl)-1H-pyrazol-4-yl]ethyl}-4-hydroxyoxan-2-one" . "(4S,6S)-6-{2-[1,5-bis(4-fluorophenyl)-3-(propan-2-yl)-1H-pyrazol-4-yl]ethyl}-4-hydroxyoxan-2-one" . "(1R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine" . "N-(6,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-1,3-benzodiazol-2-amine" . "2-[3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-2-propylphenoxy]benzoic acid" . "(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid" . "(E,3R,5S)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoic acid" . "(E,3R,5S)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid" . "(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid" . "(3R,5S)-7-[4-(4-fluorophenyl)-2-(methyl-methylsulfonylamino)-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid" . "[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate" . "methyl (3R,5S,6E)-7-[3-bromo-4,5-bis(4-fluorophenyl)-2-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyhept-6-enoate" . "5-(4-fluorophenyl)-1-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-N,4-diphenyl-2-(propan-2-yl)-1H-pyrrole-3-carboxamide" . "4-[3-(dodeca-1,3-diyn-1-yl)oxiran-2-yl]butanoic acid" . "4-[({5-[(3R,5R)-6-carboxylato-3,5-dihydroxyhexyl]-1-ethyl-4-(4-fluorophenyl)-3-methyl-1H-pyrrol-2-yl}formamido)methyl]benzoate" . "3-hydroxy-3-methylpentanedioic acid" . "1-[(2R,5S,11S,14R,15R)-5-hydroxy-2,6,6,15-tetramethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-11-yl]ethan-1-one" . "[4-(4-phenylphenyl)-1-phosphonatobutyl]phosphonate" . "(4R)-6-[(E)-2-[6-tert-butyl-4-(4-fluorophenyl)-2-(propan-2-yl)pyridin-3-yl]ethenyl]-4-hydroxyoxan-2-one" . "(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)pyrimidin-5-yl]ethenyl]-4-hydroxyoxan-2-one" . "(4S,6R)-6-[(1E)-4,4-bis(4-fluorophenyl)-3-(1-methyltetrazol-5-yl)buta-1,3-dienyl]-4-hydroxyoxan-2-one" . "(4R)-6-[(1,3-dichloro-7-fluoro-9H-fluoren-9-yl)methyl]-4-hydroxyoxan-2-one" . "(3S,5R)-7-[(1S,2S,6R,8R)-2,6-dimethyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate" . "(3S)-4-{[(E)-2-[3'-(4-fluorophenyl)spiro[cyclopentane-1,1'-indene]-2'-yl]ethenyl](hydroxy)phosphoryl}-3-hydroxybutanoic acid" . "(3S)-4-{[(E)-2-[1-(4-fluorophenyl)-3-(propan-2-yl)-1H-indol-2-yl]ethenyl](hydroxy)phosphoryl}-3-hydroxybutanoic acid" . "(3S)-4-({2-[2-(4-fluoro-3-methylphenyl)-4-methyl-6-(propan-2-yl)phenyl]ethyl}(hydroxy)phosphoryl)-3-hydroxybutanoic acid" . "(3S)-4-({[2-(4-fluoro-3-methylphenyl)-4-methyl-6-(propan-2-yl)phenyl]methoxy}(hydroxy)phosphoryl)-3-hydroxybutanoic acid" . "(3S)-3-{[(2S)-1-[(2S)-2-(2-aminoacetamido)-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-({[(carboxymethyl)carbamoyl]methyl}carbamoyl)propanoic acid" . "sodium (3S,5R,6E)-9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyltetrazol-5-yl)nona-6,8-dienoate" . "(3R,6E)-7-[6-tert-butyl-4-(4-fluorophenyl)-2-(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoate" . "(3R,6E)-7-[6-chloro-4-(4-fluorophenyl)-2-(propan-2-yl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate" . "(3R,5S,6E)-7-[5-(4-fluorophenyl)-2-(propan-2-yl)-4-(pyridin-3-yl)-1H-imidazol-1-yl]-3,5-dihydroxyhept-6-enoate" . "(3R,5S,6E)-7-[4-(4-fluorophenyl)-2-methyl-1-phenyl-1H-pyrrol-3-yl]-3,5-dihydroxyhept-6-enoate" . "(3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[methyl(1-methyl-1H-1,2,3,4-tetrazol-5-yl)amino]-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate" . "(3R,5S,6E)-7-[4-(4-fluorophenyl)-1-phenyl-2-(propan-2-yl)-1H-pyrrol-3-yl]-3,5-dihydroxyhept-6-enoate" . "(3R,5S,6E)-7-[4-(4-fluorophenyl)-1,2-bis(propan-2-yl)-1H-pyrrol-3-yl]-3,5-dihydroxyhept-6-enoate" . "(3R,5S,6E)-7-[2,4-bis(4-fluorophenyl)-5-(propan-2-yl)-1H-imidazol-1-yl]-3,5-dihydroxyhept-6-enoate" . "(3R,5S,6E)-7-[2,3-bis(4-fluorophenyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyhept-6-enoic acid" . "(3R,5S,6E)-7-[2-(4-fluorophenyl)-7-[(4-phenylphenyl)methyl]-4,5,6,7-tetrahydro-2H-indazol-3-yl]-3,5-dihydroxyhept-6-enoate" . "(3R,5S,6E)-7-[2-(4-fluorophenyl)-4-(3-phenylpentan-3-yl)phenyl]-3,5-dihydroxyhept-6-enoate" . "(3R,5S,6E)-7-[1-(4-fluorophenyl)-2-phenyl-4-(propan-2-yl)-1H-imidazol-5-yl]-3,5-dihydroxyhept-6-enoate" . "(3R,5R,6E)-7-[4,5-bis(4-fluorophenyl)-2-(propan-2-yl)-1H-imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid" . "(3R,5R)-7-[5-(3-fluorophenyl)-1-(4-fluorophenyl)-4-oxo-3-(propan-2-yl)-3H,4H,5H-pyrrolo[2,3-c]quinolin-2-yl]-3,5-dihydroxyheptanoate" . "(3R,5R)-7-[4-(4-fluorophenyl)-5-methyl-1-phenyl-2-(propan-2-yl)-1H-pyrrol-3-yl]-3,5-dihydroxyheptanoate" . "(3R,5R)-7-[4-(4-fluorophenyl)-2-methyl-1-(propan-2-yl)-1H-pyrrol-3-yl]-3,5-dihydroxyheptanoate" . "(3R,5R)-7-[4-(4-fluorophenyl)-2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl]-3,5-dihydroxyheptanoate" . "(3R,5R)-7-[4-(4-fluorophenyl)-1-phenyl-2-(propan-2-yl)-1H-pyrrol-3-yl]-3,5-dihydroxyheptanoate" . "(3R,5R)-7-[3-(4-fluorophenyl)-8-oxo-7-phenyl-1-(propan-2-yl)-1H,4H,5H,6H,7H,8H-pyrrolo[2,3-c]azepin-2-yl]-3,5-dihydroxyheptanoate" . "(3R,5R)-7-[1-cyclohexyl-4-(4-fluorophenyl)-2-(propan-2-yl)-1H-pyrrol-3-yl]-3,5-dihydroxyheptanoate" . "(3R,5R)-7-[1-(4-fluorophenyl)-3-{methyl[(1R)-1-phenylethyl]carbamoyl}-4-(propan-2-yl)-1H-pyrazol-5-yl]-3,5-dihydroxyheptanoate" . "(3R,5R)-7-[(1S,2S,3R,6S)-2-{[(2,2-dimethylbutanoyl)oxy]methyl}-6-methyl-3-propylcyclohexyl]-3,5-dihydroxyheptanoic acid" . "(3R,5R)-7-(5-{[(4-cyanophenyl)methyl]carbamoyl}-3-(4-fluorophenyl)-4-phenyl-1-(propan-2-yl)-1H-pyrrol-2-yl)-3,5-dihydroxyheptanoate" . "(3R,5R)-7-[4-[[3-(2-amino-2-oxoethyl)phenyl]sulfamoyl]-2,3-bis(4-fluorophenyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid" . "(3R)-7-[(1S,2S,4aR,6S,8S)-2,6-dimethyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3-hydroxy-5-oxoheptanoic acid" . "(3R)-6-{[2-(4-fluorophenyl)-4-(propan-2-yl)quinolin-3-yl]oxy}-3,5-dihydroxyhexanoate" . "(3R)-6-[2-(4-fluorophenyl)-4-[(4-fluorophenyl)sulfanyl]-6-(propan-2-yl)phenoxy]-3,5-dihydroxyhexanoate" . "(3R)-6-[2-(4-fluorophenyl)-4,6-bis(propan-2-yl)phenoxy]-3,5-dihydroxyhexanoate" . "(3R)-6-({3-[bis(4-fluorophenyl)methyl]-1-(propan-2-yl)naphthalen-2-yl}oxy)-3,5-dihydroxyhexanoate" . "(3R)-4-{[6-(4-fluorophenyl)-4-(propan-2-yl)-3-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-yl]methyl phosphonato}-3-hydroxybutanoate" . "(3R)-4-{[(E)-2-[5-ethyl-4-(4-fluorophenyl)-6-phenyl-2-(propan-2-yl)pyridin-3-yl]ethenyl]phosphinato}-3-hydroxybutanoate" . "(3R)-3-hydroxy-5-oxo-7-phenylheptanoic acid" . "(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]propanamido]pentanedioic acid" . "(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]propanamido]pentanedioic acid" . "N-(2-Hydroxyethyl)octadecanamide" . "(1S,3R,4R,4aR,7S,8S)-4-[(benzylcarbamoyl)oxy]-8-{2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-decahydronaphthalen-1-yl 2,2-dimethylbutanoate" . "(1S,3R,4aR,7S,8S,8aS)-3-hydroxy-8-{2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-7-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl (2S)-2-methylbutanoate" . "(1S,2S,5R,7R,10R,11S,15R,16S)-5-hydroxy-14-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-16-yl (2S)-2-methylbutanoate" . "[(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate" . "(E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid" . "(4S,6R)-6-[(E)-2-[2-(4-fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexenyl]ethenyl]-4-hydroxyoxan-2-one" . "(3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid" . "S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] ethanethioate" . "S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-oxobutanethioate" . "(3S)-5-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-hydroxy-3-methyl-5-oxopentanoic acid" . "[(2S,3S,4S,5S)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl [[(2S,3R,4S,5S)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate" . "(3R)-3,5-dihydroxy-3-methylpentanoate" . "[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl [hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]phosphoryl] hydrogen phosphate" . "[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate" . "(3R)-3-hydroxy-3-methyl-5-phosphonooxypentanoic acid" . "(3R)-3-hydroxy-5-(hydroxy-phosphonooxyphosphoryl)oxy-3-methylpentanoic acid" . "3-methylbut-3-enyl phosphono hydrogen phosphate" . "(3-methylbut-2-enoxy-oxidophosphoryl) phosphate" . "phosphono 3,7,11-trimethyldodeca-2,6,10-trienyl hydrogen phosphate" . "[(2E)-3,7-dimethylocta-2,6-dienyl] phosphono hydrogen phosphate" . "phosphono 3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl hydrogen phosphate" . "[(1S,2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropyl]methyl phosphono hydrogen phosphate" . "2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaene" . "3-hydroxy-5-(hydroxy-phosphonooxyphosphoryl)oxy-3-methylpentanoic acid" . "3,5-dihydroxy-3-methylpentanoic acid" . "(1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-benzyl-3-methylidenehexyl]-6-{[(2E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy}-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid" . "2-[7-chloro-5-(2-chlorophenyl)-1-(2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetic acid" . "{1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl}phosphonic acid" . "[(6E)-7,11-dimethyl-1-phosphonododeca-6,10-dien-1-yl]phosphonic acid" . "4-[dimethyl(9-phenylnonyl)azaniumyl]butane-1-sulfonate" . "4-{dimethyl[5-(4-phenylphenyl)pentyl]azaniumyl}butane-1-sulfonate" . "[(7E)-8,12-dimethyl-1-phosphonotrideca-7,11-dien-1-yl]phosphonic acid" . "[(3E,7E)-4,8,12-trimethyl-1-phosphonatotrideca-3,7,11-trien-1-yl]phosphonate" . "(2-{4-[(E)-2-phenylethenyl]phenoxy}ethyl)(2-phenylpropyl)amine" . "benzyl(2-{4-[(E)-2-phenylethenyl]phenoxy}ethyl)amine" . "1-[(10E)-6,8-dimethyl-11-phenylundec-10-en-1-yl]-2-hydroxypropane-1,2,3-tricarboxylic acid" . "1-[(6E)-6,8-dimethyl-9-phenylnon-6-en-1-yl]-2-hydroxypropane-1,2,3-tricarboxylic acid" . "(2S)-2-({[(2S,3S)-4-(3,4-dichlorophenyl)-3-(3-fluoro-4-phenylphenyl)butan-2-yl]carbamoyl}methyl)butanedioic acid" . "2-[4-(4-bromophenyl)phenyl]-4-methyl-octahydro-2H-1,4-benzoxazin-2-ol" . "2-[4-(5-bromothiophen-2-yl)phenyl]-4-methyl-octahydro-2H-1,4-benzoxazin-2-ol" . "(1S,3S,4S,5R,6R,7R)-1-[(4R,5R)-4-(acetyloxy)-5-benzylhexyl]-4,7-dihydroxy-6-{[(4E,6R)-6-methyl-9-phenylnon-4-enoyl]oxy}-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid" . "3-[4-(4-bromophenyl)phenyl]-octahydropyrido[2,1-c]morpholin-3-ol" . "3-[4-(1,3-benzothiazol-2-yl)phenyl]-octahydropyrido[2,1-c]morpholin-3-ol" . "2-[4-(4-bromophenyl)phenyl]-4-methylmorpholin-2-ol" . "ethyl 2-[4-(2-{3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl}ethynyl)phenyl]acetate" . "2-[4-(1,3-benzothiazol-2-yl)phenyl]-4-methylmorpholin-2-ol" . "3-[4-(5-bromothiophen-2-yl)phenyl]-octahydropyrido[2,1-c]morpholin-3-ol" . "3-[4-(thiophen-2-yl)phenyl]-octahydropyrido[2,1-c]morpholin-3-ol" . "4-methyl-2-[4-(thiophen-2-yl)phenyl]morpholin-2-ol" . "(6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-benzyl-3-methylidenehexyl]-6-{[(decyloxy)carbonyl]oxy}-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid" . "(6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-benzyl-3-methylidenehexyl]-6-(dodecyloxy)-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid" . "2-{2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetamido}acetic acid" . "(6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-benzyl-3-methylidenehexyl]-4,7-dihydroxy-6-(tetradecyloxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid" . "methyl 4-[4-(2-{3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl}ethynyl)-3-(prop-2-en-1-yl)phenyl]butanoate" . "(6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-benzyl-3-methylidenehexyl]-4,7-dihydroxy-6-{[(11-phenoxyundecyl)carbamoyl]oxy}-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid" . "(6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-benzyl-3-methylidenehexyl]-4,7-dihydroxy-6-({[(11-phenoxyundecyl)oxy]carbonyl}oxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid" . "3-[(E)-2-(4-phenylphenyl)ethenyl]-1-azabicyclo[2.2.2]octane" . "3-[2-(4-phenylphenyl)ethyl]-1-azabicyclo[2.2.2]octane" . "3-(4-phenylphenyl)-1-azabicyclo[2.2.2]octane" . "3-[2-(4-phenylphenyl)ethynyl]-1-azabicyclo[2.2.2]octan-3-ol" . "ethyl 4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzoate" . "{2-[4-(benzyloxy)phenoxy]ethyl}(2-phenylpropyl)amine" . "(1S,2S,3S,4S)-3,4-bis[(2-methylpropyl)[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid" . "(1S,2S,3S,4S)-3,4-bis({butyl[(4-phenoxyphenyl)methyl]carbamoyl})cyclobutane-1,2-dicarboxylic acid" . "(pyridin-3-ylmethyl)[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]amine" . "[(5E)-6,10-dimethyl-1-phosphonoundeca-5,9-dien-1-yl]phosphonic acid" . "3-(4-phenylphenyl)-1-azabicyclo[2.2.2]octan-3-ol" . "[(2E)-6,6-dimethylhept-2-en-4-yn-1-yl](ethyl)[(3-{[4-(thiophen-3-yl)thiophen-2-yl]methoxy}phenyl)methyl]amine" . "(3S)-3-(2-{2-benzyl-6-[(3S,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridin-3-yl}ethynyl)-1-azabicyclo[2.2.2]octan-3-ol" . "ethyl 3-[4-(2-{3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl}ethynyl)-3-(prop-2-en-1-yl)phenyl]propanoate" . "(1S,2S,3S,5R)-1-(carboxymethyl)-3,5-bis({[(4-phenoxyphenyl)methyl](propyl)carbamoyl})cyclopentane-1,2-dicarboxylic acid" . "(2S,4R,5S,6S)-2-[(4S,5R)-4-(acetyloxy)-5-benzyl-3-methylidenehexyl]-2-carbamoyl-4-({[(2E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy}methyl)-5-hydroxy-1,3-dioxane-4,5,6-tricarboxylic acid" . "4-{[3-({[(2E)-6,6-dimethylhept-2-en-4-yn-1-yl](ethyl)amino}methyl)phenoxymethyl]dimethylsilyl}benzonitrile" . "(E)-N-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-N-methyl-N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]methenimidamide" . "(3R)-4-{[(2S,3S,4E)-3-[(3,4-dichlorophenyl)methyl]-5-(naphthalen-2-yl)pent-4-en-2-yl]carbamoyl}-3-methylbutanoic acid" . "3-{2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetamido}propanoic acid" . "3-(prop-2-en-1-yl)-4-{3-[(propan-2-yl)amino]propoxy}phenyl propanoate" . "(E)-ethylidene({[3-(prop-2-en-1-yl)-4-{3-[(propan-2-yl)amino]propoxy}phenyl]methoxy})amine" . "{3-[4-butoxy-2-(prop-2-en-1-yl)phenoxy]propyl}(propan-2-yl)amine" . "{3-[4-phenyl-2-(prop-2-en-1-yl)phenoxy]propyl}(propan-2-yl)amine" . "benzyl(3-{[1-(prop-2-en-1-yl)-9H-carbazol-2-yl]oxy}propyl)amine" . "(6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-benzyl-3-methylidenehexyl]-4,7-dihydroxy-6-[(11-phenoxyundecanoyl)oxy]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid" . "(6R,7R)-1-(5-benzylhexyl)-4,7-dihydroxy-6-{[(4E)-6-methyl-9-phenylnon-4-enoyl]oxy}-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid" . "(6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-benzyl-3-methylidenehexyl]-4,7-dihydroxy-6-[(11-phenoxyundecyl)oxy]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid" . "4-[3-(2-fluorophenoxy)phenyl]-1-phosphonatobutane-1-sulfonate" . "[1-(hydroxyamino)-1-oxo-5-(3-phenoxyphenyl)pentan-2-yl]phosphonic acid" . "[2-oxo-2-[3-(3-phenoxyphenyl)propylamino]ethyl]phosphonic acid" . "4-[2-fluoro-5-(4-fluorophenoxy)phenyl]-1-phosphonatobutane-1-sulfonate" . "4-[3-(1-benzofuran-5-yloxy)phenyl]-1-phosphonatobutane-1-sulfonate" . "4-(9-ethyl-9H-carbazol-3-yl)-1-phosphonatobutane-1-sulfonate" . "2-(3-phenoxyphenyl)-1-phosphonatoethane-1-sulfonate" . "(1-phosphonato-4-{4-[4-(trifluoromethyl)phenyl]phenyl}butyl)phosphonate" . "[2-methyl-1-oxo-1-[3-(3-phenoxyphenyl)propylamino]propan-2-yl]phosphonic acid" . "4-[3-(2-benzylphenoxy)phenyl]-1-phosphonatobutane-1-sulfonate" . "(5E,9E)-6,10,14-trimethyl-1-phosphonatopentadeca-5,9,13-triene-1-sulfonate" . "2-({[(3-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)methyl]carbamoyl}(hydroxy)amino)-2-methylpropanoate" . "({[({4-[(1E)-2,6-dimethylhepta-1,5-dien-1-yl]phenyl}methoxy)methyl](hydroxy)phosphoryl}methyl)phosphonic acid" . "{[hydroxy({[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}methyl)phosphoryl]methyl}phosphonic acid" . "(5-{[4-(benzenesulfonyl)-1,2,5-oxadiazol-3-yl]oxy}-1-hydroxy-1-phosphonopentyl)phosphonic acid" . "{5-[(4-phenyl-1,2,5-oxadiazol-3-yl)oxy]-1-phosphonopentyl}phosphonic acid" . "1-(prop-2-en-1-yl)-2-{3-[(propan-2-yl)amino]propoxy}-9H-xanthen-9-one" . "(3-{[1-(prop-2-en-1-yl)-9H-carbazol-2-yl]oxy}propyl)(propan-2-yl)amine" . "(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid" . "(3R,5aS,6S,10aR)-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulfanyl)-1H,2H,3H,4H,5aH,6H,10H,10aH-piperazino[1,2-a]indole-1,4-dione" . "(phosphonooxy)phosphonic acid" . "hydrogen {2-[decyl(methyl)sulfaniumyl]-1-phosphonoethyl}phosphonate" . "[1-hydroxy-1-phosphono-2-(piperidin-2-yl)ethyl]phosphonic acid" . "1-benzyl-N-(4-cyclohexylphenyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrole-3-carboxamide" . "{1-phosphono-2-[(pyridin-2-yl)amino]ethyl}phosphonic acid" . "(1-hydroxy-2-{imidazo[1,2-a]pyridin-3-yl}-1-phosphonoethyl)phosphonic acid" . "2-hydroxy-2-phosphono-3-(pyridin-3-yl)propanoic acid" . "{[(3-methyl-3,4,5,6-tetrahydropyridin-2-yl)amino](phosphono)methyl}phosphonic acid" . "[1-hydroxy-1-phosphono-2-(pyridin-2-yl)ethyl]phosphonic acid" . "[1-fluoro-1-phosphono-2-(pyridin-3-yl)ethyl]phosphonic acid" . "{[(3-methylpyridin-2-yl)amino](phosphono)methyl}phosphonic acid" . "[(cyclohexylamino)(phosphono)methyl]phosphonic acid" . "[(3E)-4,8-dimethyl-1-phosphononona-3,7-dien-1-yl]phosphonic acid" . "[1-hydroxy-1-phosphono-2-(pyridin-3-yl)ethyl]phosphonic acid" . "N-(2,5-dibromo-3-fluorophenyl)-4-methoxy-3-(piperazin-1-yl)benzene-1-sulfonamide" . "[1-hydroxy-2-(1H-imidazol-1-yl)-1-phosphonoethyl]phosphonic acid" . "[1-phosphono-2-(pyridin-3-yl)ethyl]phosphonic acid" . "[1-phosphono-2-(pyridin-2-yl)ethyl]phosphonic acid" . "3-(2-hydroxy-2,2-diphosphonoethyl)-1-methylpyridin-1-ium" . "(2-carbamimidamido-1-hydroxy-1-phosphonoethyl)phosphonic acid" . "[(6E,11E)-2,6,12,16-tetramethyl-9-phosphonoheptadeca-2,6,11,15-tetraen-9-yl]phosphonic acid" . "{1-hydroxy-2-[3-(4-phenylphenyl)phenyl]-1-phosphonoethyl}phosphonic acid" . "hydrogen [2-(dodecyldimethylphosphaniumyl)-1-phosphonoethyl]phosphonate" . "(1-hydroxy-1-phosphonododecyl)phosphonic acid" . "{[(3-{[(3E)-4,8-dimethylnona-3,7-dien-1-yl](methyl)amino}propoxy)(hydroxy)phosphoryl]oxy}phosphonic acid" . "{2-[3-(decyloxy)phenyl]-1-hydroxy-1-phosphonoethyl}phosphonic acid" . "3-(decyloxy)-5-(2-hydrogen phosphonato-2-phosphonoethyl)-1-methylpyridin-1-ium" . "{2-[dodecyl(methyl)amino]-1-phosphonoethyl}phosphonic acid" . "3-(decyloxy)-1-(2-hydrogen phosphonato-2-phosphonoethyl)pyridin-1-ium" . "[1,3-bis(2,4-dichlorophenyl)-2-phosphonopropan-2-yl]phosphonic acid" . "(1-hydroxy-1-phosphonodecyl)phosphonic acid" . "{[hydroxy(2-{methyl[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]amino}ethoxy)phosphoryl]oxy}phosphonic acid" . "[(3E,7E)-4,8,12-trimethyl-1-phosphonotrideca-3,7,11-trien-1-yl]phosphonic acid" . "3-hydroxy-3-methyl-6-phosphonohexanoic acid" . "3-phenylprop-2-enoic acid" . "2-fluoro-3-hydroxy-5-{[hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylpentanoic acid" . "6-fluoro-3-hydroxy-5-{[hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylhexanoic acid" . "1-(1,2-dihydroxy-2,2-diphosphonoethyl)pyrrolidine-2-carboxylic acid" . "5-({[({[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-fluoro-3-hydroxy-3-methylpentanoic acid" . "7-({[({[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3,5-dihydroxy-3-methylheptanoic acid" . "8-[[[(2E)-3,7-dimethylocta-2,6-dienoxy]-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,5-dihydroxy-3-methyloctanoic acid" . "3-hydroxy-3,4-dimethylpentyl phosphanylidenephosphinite" . "3-hydroxy-3-methylpentyl phosphanylidenephosphinite" . "2,2-difluoro-3-hydroxy-5-(hydroxy-phosphonooxyphosphoryl)oxy-3-methylpentanoic acid" . "{[(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yl]oxy}phosphonic acid" . "3,7,11-trimethyldodeca-2,6,10-trien-1-ol" . "sulfanyl[(3,7,11-trimethyldodeca-2,6,10-trien-1-yl phosphonato)oxy]phosphinate" . "6-chloro-N-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]imidazo[2,3-b][1,3]thiazole-5-sulfonamide" . "(7R)-7-(dipropylamino)-4-fluoro-5,6,7,8-tetrahydronaphthalen-1-ol" . "5-methyl-8-[4-(3H3)methylpiperazin-1-yl]-N-[4-(morpholin-4-yl)phenyl]-4-oxo-4H-chromene-2-carboxamide" . "4-{5-propoxypyrrolo[3,2-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridine" . "N-[3-(4-methyl-1H-imidazol-1-yl)phenyl]-5H,6H-benzo[h]quinazolin-4-amine" . "4-{[8-(morpholin-2-ylmethoxy)-2H-chromen-3-yl]methyl}morpholine" . "4-(18F)fluoro-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-N-(pyrimidin-2-yl)benzamide" . "(1S)-1-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-N-methyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide" . "2-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-2H-naphtho[1,8-cd][1,2]thiazole 1,1-dioxide" . "N-(2-{4-[3-(4-amino-5-chloro-2-methoxyphenyl)-3-oxopropyl]piperidin-1-yl}ethyl)methanesulfonamide" . "1'-ethyl-7-({4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl}carbonyl)-2,5,6,7-tetrahydrospiro[furo[2,3-f]indole-1,4'-piperidine]" . "4-iodo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzene-1-sulfonamide" . "3-[(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-1-sulfonyl]phenol" . "2-(1-{6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonyl}-1H-indol-3-yl)ethan-1-amine" . "N-(3,5-dichloro-2-methoxyphenyl)-4-methoxy-3-(piperazin-1-yl)benzene-1-sulfonamide" . "3-[2-(4-{[4-(18F)fluorophenyl]carbonyl}piperidin-1-yl)ethyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one" . "(1-butylpiperidin-4-yl)methyl 8-amino-7-(123I)iodo-2,3-dihydro-1,4-benzodioxine-5-carboxylate" . "(4-{[(8-amino-7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)carbonyloxy]methyl}piperidin-1-yl)([11C])methylidyne" . "4-iodo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzene-1-sulfonamide" . "4-amino-N-[2,6-bis(methylamino)pyridin-4-yl]benzenesulfonamide" . "3-[(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonylphenol" . "3-(2-amino-1,2-ditritioethyl)-1H-indol-5-ol" . "(R)-[2,3-di(methoxy)phenyl]-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol" . "(2S)-2-[2-(2-{[3-(2-aminoethyl)-1H-indol-5-yl]oxy}acetamido)acetamido]-3-[4-hydroxy-3-(125I)iodophenyl]propanamide" . "N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide-Tritiated" . "N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide" . "2-[(3S)-1-[7-[[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-propylamino]heptyl]pyrrolidin-3-yl]-2,2-di(phenyl)acetamide" . "3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4,6-dimethylthieno[5,4-b]pyridine-2-carboxamide" . "1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)-2,3-dihydro-1H-indole-2,3-dione" . "3-[1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one" . "cyclopentyl 1,6-dimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-3,4-dihydropyrimidine-5-carboxylate" . "1-azabicyclo[2.2.2]octan-8-yl 2-hydroxy-2,2-di(phenyl)acetate" . "2-[(4-ethoxyphenyl)amino]-N'-[(1E)-(2-hydroxynaphthalen-1-yl)methylidene]acetohydrazide" . "3-amino-5-chloro-N-cyclopropyl-6-methoxy-4-methylthieno[4,5-e]pyridine-2-carboxamide" . "3-amino-N-[(4-methoxyphenyl)methyl]-4,6-dimethylthieno[5,4-b]pyridine-2-carboxamide" . "N-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide" . "5-{4-[(2-fluoroethyl)sulfanyl]-2,3-dihydro-1,2,5-thiadiazol-3-yl}-1-methyl-1,2,3,6-tetrahydropyridine" . "3-butylsulfanyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole" . "1-[3-(4-butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one" . "11-[2-[4-(tritritiomethyl)piperazin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one" . "N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]-2,1,3-benzothiadiazole-7-sulfonamide" . "(3R)-1-azabicyclo[2.2.2]octan-3-yl (2R)-2-{4-[(18F)fluoromethyl]phenyl}-2-hydroxy-2-phenylacetate" . "4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazine-1-carboximidamide" . "{5-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1,2,3,6-tetrahydropyridin-1-yl}(11C)methylidyne" . "6-[[2-[4-[(E)-2-[(5Z)-5-[(1-difluoroboranyl-5-thiophen-2-ylpyrrol-2-yl) methylidene]pyrrol-2-yl]ethenyl]phenoxy]acetyl]amino]-N-[2-[[2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetyl]amino]ethyl]hexanamide" . "3-(2-methoxyphenyl)-1-(2-pyridin-3-ylquinazolin-4-yl)urea" . "4-(furan-2-yl)-10-[3-(4-methoxyphenyl)propyl]-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-7-amine" . "8-{4-[4-(4-chlorophenyl)piperazine-1-sulfonyl]phenyl}-1-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione" . "1-butyl-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3-(3-hydroxypropyl)-3,7-dihydro-1H-purine-2,6-dione" . "4-(2,6-dioxo-1-propyl-1,2,3,6-tetrahydropurin-8-yl)benzene-1-sulfonic acid" . "N-(4-acetylphenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-1,2,3,6-tetrahydropurin-8-yl)phenoxy]acetamide" . "(2R,3R,4S,5R)-2-(6-{[(1S,2S)-2-hydroxycyclopentyl]amino}-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol" . "2-({6-amino-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl}sulfanyl)acetamide" . "3-[[4-(4-iodophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine" . "7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol" . "2-[4-[(2-phenyl-3H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine" . "(4aS,10bS)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol" . "3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide" . "8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one" . "N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide" . "4-[5-(4-chlorophenyl)-4-methyl-1,2-oxazol-3-yl]-1-(2-phenylethyl)piperidine" . "3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine" . "(6aS,13bR)-11-chloro-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepin-12-ol" . "(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid" . "N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine" . "(2S)-2-aminobutanedioic acid" . "(2S)-2-amino-3-(imidazol-4-yl)propanoic acid" . "(2S,3S)-2-Amino-3-methylpentanoic acid" . "(2S)-2-amino-4-methylpentanoic acid" . "(2S)-2-amino-3-phenylpropanoic acid" . "(2S)-pyrrolidine-2-carboxylic acid" . "(2-iodo-5-nitrophenyl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone" . "1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide" . "cyclopentyl N-{3-[(2-methoxy-4-{[(2-methylbenzene)sulfonyl]carbamoyl}phenyl)methyl]-1-methyl-1H-indol-5-yl}carbamate" . "(1R,2S)-2-[(3,5-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid" . "[(2R)-2-amino-2-[(3-octylphenyl)carbamoyl]ethoxy]phosphonic acid" . "(5S)-6-[6-[(1E,3R,5Z)-3-hydroxyundeca-1,5-dienyl]pyridin-2-yl]hexane-1,5-diol" . "2-[(3,4,5-trihydroxyphenyl)amino]acetic acid" . "3-{[(1S,2R,3E,5Z)-1-hydroxy-1-[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]pentadeca-3,5-dien-2-yl]sulfanyl}propanoic acid" . "2-{[3-(quinolin-2-ylmethoxy)phenyl]amino}benzoic acid" . "methyl (4Z)-7-[(1R,2R,3R)-2-[(1E,4R,5E)-6-(cyclopent-1-en-1-yl)-4-hydroxy-4-methylhexa-1,5-dien-1-yl]-3-hydroxy-5-oxocyclopentyl]hept-4-enoate" . "(Z)-7-[(1R,2S,3S,5S)-3-[(4-iodophenyl)sulfonylamino]-7,7-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid" . "(5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoic acid" . "(2S,3R)-3-[(2-carboxyethyl)sulfanyl]-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid" . "(1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-phenylcyclopropane-1-carboxylic acid" . "3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine" . "sodium (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl [({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}(sodiooxy)phosphoryl)oxy]phosphonate" . "[(1R,2R,3S,5S)-4-[6-amino-2-(methylsulfanyl)-9H-purin-9-yl]-2,3-dihydroxybicyclo[3.1.0]hexan-1-yl]methyl sodium {[bis(sodiooxy)phosphoryl]oxy}phosphonate" . "methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(1E,4R)-4-hydroxy-4-(1-propylcyclobutyl)but-1-en-1-yl]-5-oxocyclopentyl]heptanoate" . "2-[1-({[(1R)-1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanyl}methyl)cyclopropyl]acetic acid" . "6-(4-methoxyphenyl)-5-methyl-3-(pyridin-4-yl)-4H,5H-[1,2]oxazolo[4,5-c]pyridin-4-one" . "12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,8,10,12-hexaene" . "2-[2-(3-methoxyphenyl)ethynyl]-6-methylpyridine" . "3-(methoxymethyl)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine" . "6-methoxy-N-(4-methoxyphenyl)quinazolin-4-amine" . "2-({4-[(2,3-dihydro-1H-inden-2-yl)amino]-5,6,7,8-tetrahydroquinazolin-2-yl}sulfanyl)ethan-1-ol" . "(4S,6S)-4-amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid" . "(2S,4S)-2-amino-4-(4,4-diphenylbutyl)pentanedioic acid" . "1-(2-ethyl-5-hydroxy-3-{[6-methyl-6-(1H-1,2,3,4-tetrazol-5-yl)heptyl]oxy}phenyl)ethan-1-one" . "(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-3-hydroxy-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid" . "(5S,6R,7E,9E,11Z,14Z)-6-({2-amino-2-[(carboxymethyl)carbamoyl]ethyl}sulfanyl)-5-hydroxyicosa-7,9,11,14-tetraenoic acid" . "(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-[[(4S)-4-amino-5-hydroxy-5-oxopentanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid" . "4-[4-(5-methoxypyridin-2-yl)phenoxymethyl]-5-methyl-N-[(2-methylbenzene)sulfonyl]oxolane-2-carboxamide" . "(5S,6E,8Z,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid" . "cyclopentyl N-[1-({4-[(benzenesulfonyl)carbamoyl]-2-methoxyphenyl}methyl)-1H-indazol-6-yl]carbamate" . "2-[(3R)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methanesulfonyl-1H,2H,3H,4H-cyclopenta[b]indol-3-yl]acetic acid" . "(5R)-5-[(1E,3R)-4,4-difluoro-3-hydroxy-4-phenylbut-1-en-1-yl]-1-[6-(1H-1,2,3,4-tetrazol-5-yl)hexyl]pyrrolidin-2-one" . "cyclopentyl N-[1-({4-[(benzenesulfonyl)carbamoyl]-2-methoxyphenyl}methyl)-1H-indazol-6-yl]carbamate" . "2-amino-4-(5-methyl-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)butanoic acid" . "6-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-1-cyclopentenyl]pyridine-2-carboxylic acid" . "(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid" . "1-ethyl-2-methyl-6-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-3-yl)-1,6-dihydropyrimidine-5-carbonitrile" . "7-chloro-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one" . "N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide" . "5-[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}-2-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione" . "1-[(3S,4R)-4-hydroxy-3-[(4-phenylphenyl)methyl]chroman-7-yl]cyclopentane-1-carboxylic acid" . "7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine" . "N-[3-(4-cyanophenyl)phenyl]-N-(pyridin-3-ylmethyl)ethane-1-sulfonamide" . "4-{[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]sulfanyl}benzoic acid" . "(5S,6R,7E,9E,11Z,13E,15S)-15-(4-fluorophenoxymethyl)-5,6-dihydroxyhexadeca-7,9,11,13-tetraenoic acid" . "({[({[(2R,3S,4R,5R)-5-[6-amino-2-(propylsulfanyl)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}difluoromethyl)phosphonic acid" . "N-[(6-methoxy-9-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)methyl]acetamide" . "(Z)-7-[(2R,3S,4R)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-4-hydroxyoxolan-3-yl]hept-4-enoic acid" . "(1S,5S,6R,7R)-6-[(2Z)-7-hydroxyhept-2-en-1-yl]-7-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2,4-dioxabicyclo[3.2.1]octan-3-one" . "3-amino-6-chloro-5-(dimethylamino)-N-(pyridin-3-yl)pyrazine-2-carboxamide" . "(5S,6E,8Z,11Z,14Z)-5-hydroxyicosa-6,8,11,14-tetraenoic acid" . "(6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoic acid" . "(6Z,8Z,11Z)-5-oxoicosa-6,8,11-trienoic acid" . "methyl N-[3-(2-acetamidoethyl)-1H-indol-5-yl]carbamate" . "4-(3,3-dimethylbutan-2-yl) 2-propyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate" . "[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate" . "(5S,6Z,8E,10E,12R,14Z)-5,12,20-trihydroxyicosa-6,8,10,14-tetraenoic acid" . "(5Z,8Z,11Z,13E,15S)-15-hydroxyicosa-5,8,11,13-tetraenoic acid" . "(5S,6R,7E,9E,11E,13E)-5,6-dihydroxyicosa-7,9,11,13-tetraenoic acid" . "(5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acid" . "(5Z,8Z,10E,12R,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acid" . "({[({[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)sulfanylidene-$l^{5}-phosphanyl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid" . "[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](sulfanylidene)phosphonous acid" . "(5S,6R,7E,9E,11Z,14Z)-6-({2-amino-2-[(carboxymethyl)carbamoyl]ethyl}sulfanyl)-5-hydroxyicosa-7,9,11,14-tetraenoic acid" . "(5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-en-1-yl]cyclopentyl]hept-5-enoic acid" . "3-ethyl-6-[(4-methoxycyclohexyl)carbonyl]-2-(11C)methylquinoline" . "(2S)-2-amino-2-[3-(2H-1,2,3,4-tetrazol-5-yl)bicyclo[1.1.1]pentan-1-yl]acetic acid" . "(2S)-2-(4-chlorophenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-3-methylbutanamide" . "3-[(S)-amino(carboxy)methyl]bicyclo[1.1.1]pentane-1-carboxylic acid" . "(2S)-3-(4-phenylphenyl)sulfonyl-N-[(R)-phenyl-pyridin-2-ylmethyl]-1,3-thiazolidine-2-carboxamide" . "(2S,5S)-2-(3-methoxy-5-methylsulfonyl-4-propoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane" . "[(2R)-3-hexadecoxy-2-(methylcarbamoyloxy)propyl] 2-trimethylazaniumylethyl phosphate" . "(3R)-4-amino-3-(4-chlorophenyl)butanoic acid" . "3-[(1R)-1-[[(2S)-2-hydroxy-3-[hydroxy-[(4-methoxyphenyl)methyl]phosphoryl]propyl]-methylamino]ethyl]benzoic acid" . "6-[3-(1-adamantyl)-4-hydroxyphenyl]naphthalene-2-carboxylic acid" . "(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol" . "4-(5,7,7,10,10-pentamethyl-8,9-dihydronaphtho[2,3-b][1, 4]benzodiazepin-13-yl)benzoic acid" . "(3R,8S,9S,10R,13R,14S,17R)-17-[(1S)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3-diol" . "(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid" . "(8S,13S,14S,17S)-17-hydroxy-13,17-dimethyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one" . "4-[1-(4-hydroxyphenyl)-4-methyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrazol-3-ylidene]cyclohexa-2,5-dien-1-one" . "4-[2-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenol" . "2-[4-(2,2-Dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid" . "5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid" . "N-[(2S)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-[[(Z)-4-oxo-4-[4-(trifluoromethyl)phenyl]but-2-en-2-yl]amino]propyl]propanamide" . "methyl 3-[(4-anilino-2-methoxy-phenyl)sulfamoyl]thiophene-2-carboxylate" . "2-Chloro-5-nitro-N-phenylbenzamide" . "methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate" . "2-chloro-5-nitro-N-pyridin-4-ylbenzamide" . "(8S,9S,10R,11S,13S,14S,17S)-11,17-dihydroxy-6,10,13-trimethyl-17-prop-1-ynyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one" . "(8S,9S,10R,11S,13S,14S,17S)-11,17-dihydroxy-10,13-dimethyl-17-prop-1-ynyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one" . "(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one" . "(8S,11R,13S,14R,17S)-11-(4-acetylphenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one" . "(8S,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione" . "3-[(7R,8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-7-propyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid" . "(8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde" . "(8R,9S,10R,13S,14S,16R,17S)-16-ethyl-17-(2-hydroxyacetyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one" . "(8R,9S,10R,13S,14S,16R,17S)-16-ethyl-17-(2-hydroxyacetyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one-tritiated" . "(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one" . "(7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-7,13,17-trimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one" . "5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid" . "3-[(2S)-2-hydroxy-3-[2-[4-(phenylsulfonylamino)phenyl]ethylamino]propoxy]benzenesulfonamide" . "8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one" . "N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide" . "N-[2-hydroxy-5-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]phenyl]methanesulfonamide" . "N-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-4-iodobenzenesulfonamide" . "{4-[(1-{[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino}cyclopentyl)methyl]phenoxymethyl}(phenyl)phosphinic acid" . "N-[6-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-methylphenyl]methanesulfonamide" . "2-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-1-ethylimidazole" . "(2R,3R)-2-benzhydryl-N-[(2-iodanylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine" . "(3S)-3-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-4-(4-amino-3-iodophenyl)butanoic acid" . "(2S,3S)-N-[[2-(fluoranylmethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine" . "(2R)-5-(diaminomethylideneamino)-2-[[2,2-di(phenyl)acetyl]amino]-N-[(4-hydroxyphenyl)methyl]pentanamide" . "2-(1-benzofuran-4-yl)-N-methyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide" . "N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide" . "1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(3-methylphenyl)urea" . "N-[1-[3-[(3R)-1-(benzoyl)-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]-N-methylacetamide" . "N-[(2S)-4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide" . "(2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxy2H-indole-2-carbonyl]pyrrolidine-2-carboxamide" . "(2S,4R)-1-[(3R)-1-[2,4-bis(tritritiomethoxy)phenyl]sulfonyl-5-chloro-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide" . "1-[1-[2-[4-(1-methylsulfonylpiperidin-4-yl)oxy-2-(2,2,2-trifluoroethoxy)phenyl]acetyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one" . "2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide" . "(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid" . "N-butyl-N-ethyl-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[3,2-e]pyrimidin-4-amine" . "5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one" . "1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol" . "3-(3-acetylphenyl)-1-[3-[(2R,4S)-2-[(1S)-1-hydroxypropyl]-4-(phenylmethyl)piperidin-1-yl]propyl]urea" . "4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide" . "N-butyl-N-ethyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[3,2-e]pyrimidin-4-amine" . "(2S)-4-amino-2-[[(2S)-2-[[1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indol-6-yl]carbamoylamino]-3-(3,4-difluorophenyl)propanoyl]amino]-N-(phenylmethyl)butanamide" . "3,6-dimethyl-N-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine" . "N-[(2S,3S,5R)-5-carbamoyl-1-(3-fluorophenyl)-3,8-dihydroxy-8-methylnonan-2-yl]quinoxaline-2-carboxamide" . "N-ethyl-4-[4-(3-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-6-methyl-N-(2-methylsulfanyl-4-propan-2-ylphenyl)pyrimidin-2-amine" . "8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl)-2,7-dimethylpyrazolo[5,1-f][1,3,5]triazin-4-amine" . "1-butyl-3-(cyclohexylmethyl)-9-(2,3-dihydro-1,4-benzodioxin-7-ylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione" . "N-[1-(4-chlorophenyl)-3-dimethylaminopropyl]-4-phenylbenzamide" . "3-[3-(2,3-dihydroxypropylamino)phenyl]-4-(5-fluoro-1-methylindol-3-yl)pyrrole-2,5-dione" . "1-[(3R)-1-(1-adamantylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenylurea" . "(E)-N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(3-cyanophenyl)-N-[1-(2-cyclopentylethyl)piperidin-4-yl]prop-2-enamide" . "4-[3-(5-bromo-2-propoxyphenyl)-5-(4-chlorophenyl)-1H-pyrrol-2-yl]pyridine" . "(2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3,3-di(phenyl)propanoic acid" . "(4S,5R)-N-(4-bromophenyl)-3-oxo-4,5-diphenylpyrazolidine-1-carboxamide" . "N-[(2R)-1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide" . "(1S,2R,3S,4S,5R,8R,9R,11S)-8-ethyl-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methyl-propan-2-ylamino)oxan-2-yl]oxy-9-methoxy-1,3,5,9,11,13-hexamethyl-7,15-dioxabicyclo[10.2.1]pentadec-12-ene-6,10-dione" . "5-chloro-N-(cyclopropylmethyl)-2-methyl-N-propyl-N'-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine" . "1-[3-[(5-bromopyridin-2-yl)-[(3,4-dichlorophenyl)methyl]amino]propyl]-3-[3-(3H-imidazol-4-yl)propyl]urea" . "2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone" . "1-[2-[4-hydroxy-4-(phenylmethyl)piperidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea" . "(Z)-2-(1,3-benzodioxol-5-yl)-3-[[3-[4-[2-(4-hydroxy-3-iodophenyl)ethylamino]-4-oxobutoxy]-4,5-dimethoxyphenyl]methyl]-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid" . "3-(6-dimethylamino-4-methylpyridin-3-yl)-2,5-dimethyl-N,N-dipropylpyrazolo[5,1-b]pyrimidin-7-amine" . "(3aR,7aR)-2-[2-(2-methoxyphenyl)ethanimidoyl]-7,7-di(phenyl)-1,3,3a,5,6,7a-hexahydroisoindol-4-one" . "2-[3-[[2-[(3-methoxyphenyl)-[2-(methyl-phenylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamoylamino]phenyl]ethanesulfonic acid" . "1-phenyl-3-[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]urea" . "(1S,2R,3S)-1-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethyloxy)-4-methoxyphenyl]-5-propoxy-2,3-dihydro-1H-indene-2-carboxylic acid" . "(2S)-5-(diaminomethylideneamino)-2-[[2-[2,2-di(phenyl)ethoxy]acetyl]amino]pentanoic acid" . "methyl (2S)-2-(naphthalene-2-carbonylamino)-3-(4-nitrophenyl)propanoate" . "2,6-dichloro-N-[4-chloro-3-(2-dimethylaminoethoxy)phenyl]-4-(trifluoromethyl)benzenesulfonamide" . "4-(2-chloro-4-methoxy-5-methylphenyl)-N-[(1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl]-5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine" . "N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide" . "(3R,6S,9R,12R)-6-cyclopropyl-12-[(4-fluorophenyl)methyl]-3,8,9-trimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione" . "1-(cycloheptylmethyl)-4-(2,7-dichloro-9H-xanthene-9-amido)-1-ethylpiperidin-1-ium" . "[2-chloro-4-(3-methylpyrazol-1-yl)phenyl]-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone" . "N-(3-methoxy-5-methylpyrazin-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-sulfonamide" . "N-(2-Hydroxyethyl)hexadecanamide" . "[(2R)-2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-trimethylazaniumylethyl phosphate" . "N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-4-(4-phenylbutoxy)benzamide" . "2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]acetic acid" . "2-Oxopentanedioic acid" . "butanedioic acid" . "(2S)-2-amino-3-[[(2R)-2-butanoyloxy-3-propanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid" . "(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid" . "(2R)-2-[[(1R,3S,4S)-3-[[4-[2-ethyl-5-(phenylmethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]-methylamino]-3-methylbutanoic acid" . "(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide" . "2-[(3S)-3-(aminomethyl)piperidine-1-carbonyl]-N-[1-(cyclononen-1-ylmethyl)piperidin-4-yl]-9H-xanthene-9-carboxamide" . "(3S,6S)-3-amino-6-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-hydrazinyl-3-phenylpropanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]amino]-7-(4-hydroxyphenyl)-4,5-dioxoheptanoic acid" . "(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide" . "(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoic acid" . "N,N-dimethyl-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)phenethylamine" . "(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(carbamoylamino)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide" . "N-[2-[[(2S)-1-[[(2R)-1-[[(2S)-1-dimethylamino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide" . "(2S)-N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-1-[(2R)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-(benzoylamino)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide" . "(N-(N-acetyl-L-ornithyl-L-arginyl)-(2S,3aS,7aS)-octahydroindole-2-carbonyl)-L-prolyl-glycyl-alpha-methyl-L-phenylalanyl-L-seryl-3-(2-naphthyl)-D-alanyl-L-isoleucine" . "N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine" . "1-hexyl-3-[4-[[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]sulfamoyl]phenyl]urea" . "N-[[3-[(2S)-2-hydroxy-3-[2-[4-(phenylsulfonylamino)phenyl]ethylamino]propoxy]phenyl]methyl]acetamide" . "(2S)-2-[[(2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid" . "(3S)-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-4-oxo-4-(2-phenylethoxy)butanoic acid" . "(1R,4S,7S,10R,13R,16S)-13-(1H-indol-3-ylmethyl)-4-(2-methylpropyl)-7-(2-methylsulfanylethyl)-16-(phenylmethyl)-3,6,9,12,15,18,20-heptazabicyclo[8.8.4]docosane-2,5,8,11,14,17,21-heptone" . "2-[(2R,5S,8S,11S,14S,17R)-8-(carboxymethyl)-17-(1H-indol-3-ylmethyl)-14-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-5-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-11-thiophen-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetic acid" . "(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-methylpyrimidin-2-yl)methylamino]methyl]piperidin-1-yl]methanone" . "(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-methylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]methanone" . "5-methyl-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide" . "3-(1-methylpiperidin-4-yl)-1H-indol-5-ol" . "2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)pyridin-2-yl]benzamide" . "(5S,6R,7E,9E,11Z,13E,15R)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid" . "(4Z,7S,8S,9E,11E,13Z,15E,17S,19Z)-7,8,17-trihydroxydocosa-4,9,11,13,15,19-hexaenoic acid" . "butyl N-[3-[4-[(2-ethyl-5,7-dimethylimidazo[5,4-b]pyridin-3-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate" . "(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid" . "2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid" . "2-ethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[5,4-b]pyridine" . "4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid" . "[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol" . "5-chloro-N-[2-(4-hydroxy-3-iodanylphenyl)ethyl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxamide" . "(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-[[(2S)-5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-[[(2S)-3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoyl]amino]hexanoyl]amino]-3-(3H-imidazol-4-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid" . "(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid" . "1-(1,3-benzothiazol-2-yl)-1-(2,4-dimethylphenyl)ethanol" . "(3S)-4-[[(2S)-1-[[(2S)-3-(1H-indol-3-yl)-2-[[2-oxo-3-[[(1S)-1-[[(2S)-2-(propanoylamino)-3-(4-sulfooxyphenyl)propanoyl]amino]pentyl]amino]propanoyl]amino]propanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-methylaminohexanoyl]amino]-4-oxobutanoic acid" . "N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide" . "(2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-di(phenyl)propanoic acid" . "3-{4-[2-(2-methylphenyl)ethynyl]phenyl}propanoic acid" . "3-(azepan-1-yl)-9-(dimethylamino)pyrido[1,2]thieno[3,4-d]pyrimidin-4-one" . "4-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoic acid" . "1-[(Z)-2-cycloheptyloxy-2-(2,6-dichlorophenyl)ethenyl]-1,2,4-triazole" . "N-(4-chloro-3-methoxyphenyl)pyridine-2-carboxamide" . "N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine" . "(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine" . "3-cyano-1-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-2-methylguanidine" . "(1S)-1-[3-(3H-imidazol-4-yl)propylsulfanyl]-N-[2-(4-iodophenyl)ethyl]methanediamine" . "4-(4-bromophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-8-sulfonamide" . "trimethyl[6-(trimethylazaniumyl)hexyl]azanium" . "(2-{[4-fluoro-3-(trifluoromethyl)phenyl]amino}-4-(pyridin-4-yl)-1,3-thiazol-5-yl)methanol" . "1,1-dimethyl-4-phenylpiperazin-1-ium" . "5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine" . "(2R)-5'-phenyl-3'H-4-azaspiro[bicyclo[2.2.2]octane-2,2'-furo[2,3-b]pyridine]" . "N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide" . "(2R)-5'-(3-fluorophenyl)-3'H-4-azaspiro[bicyclo[2.2.2]octane-2,2'-furo[2,3-b]pyridine]" . "2-[(1R,6R,9S,12S,18S,21S,24S,27S,30R,33S,39S,45S,48S,53R)-53-(2-aminoacetamido)-27-benzyl-6-carbamoyl-18-(carbamoylmethyl)-21-[(1R)-1-hydroxyethyl]-48-(hydroxymethyl)-45-[(4-hydroxyphenyl)methyl]-24-methyl-8,11,17,20,23,26,29,32,38,44,47,50,52-tridecaoxo-3,4,55,56-tetrathia-7,10,16,19,22,25,28,31,37,43,46,49,51-tridecaazapentacyclo[28.20.7.0^{12,16}.0^{33,37}.0^{39,43}]heptapentacontan-9-yl]acetic acid" . "2,2-dimethyl-5-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-ium" . "2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane" . "2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane" . "3-(1-methylpyrrolidin-2-yl)pyridine" . "[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate" . "2-[(1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,42S,48S,51S,56R)-56-(2-aminoacetamido)-6-carbamoyl-21,24-bis(carbamoylmethyl)-51-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-27,30-dimethyl-48-(2-methylpropyl)-8,11,14,20,23,26,29,32,35,41,47,50,53,55-tetradecaoxo-3,4,58,59-tetrathia-7,10,13,19,22,25,28,31,34,40,46,49,52,54-tetradecaazapentacyclo[31.20.7.0^{15,19}.0^{36,40}.0^{42,46}]hexacontan-12-yl]acetic acid" . "(4S)-4-amino-4-{[(1R,7S,10S,13S,16S,19R,24R,27S,33S,36S,43R)-7-(3-carbamimidamidopropyl)-19-carbamoyl-27-(carbamoylmethyl)-16-(hydroxymethyl)-13-[(3-hydroxyphenyl)methyl]-10-(1H-imidazol-5-ylmethyl)-36-methyl-2,5,8,11,14,17,25,28,34,37,44-undecaoxo-21,22,40,41-tetrathia-3,6,9,12,15,18,26,29,35,38,45-undecaazatricyclo[22.14.7.0^{29,33}]pentatetracontan-43-yl]carbamoyl}butanoic acid" . "4-[5-(4-chlorophenyl)-2-methyl-3-propanoyl-1H-pyrrol-1-yl]benzene-1-sulfonamide" . "(E)-4-(5-ethoxypyridin-3-yl)-N-methylbut-3-en-1-amine" . "N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-chlorobenzamide" . "N,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine" . "1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea" . "N-(4-fluorophenyl)-4-methyl-5-[(thiophen-3-yl)carbonyl]-1,3-thiazol-2-amine" . "3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile" . "(E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine" . "3-{5-methyl-octahydropyrrolo[3,4-c]pyrrol-2-yl}-6-phenylpyridazine" . "{[(2S,4R,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl}trimethylazanium" . "N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide" . "N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide" . "3-(5-chloro-2-hydroxyphenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]urea" . "1-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-5,14-bis(acetyloxy)-2,15-dimethyl-13-(1-methylpiperidin-1-ium-1-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-4-yl]-1-methylpiperidin-1-ium" . "1-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-5,14-bis(acetyloxy)-2,15-dimethyl-4-(piperidin-1-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-13-yl]-1-methylpiperidin-1-ium" . "1-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-14-(acetyloxy)-5-hydroxy-2,15-dimethyl-4-(morpholin-4-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-13-yl]-1-(prop-2-en-1-yl)pyrrolidin-1-ium" . "trimethyl[2-({4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl}oxy)ethyl]azanium" . "[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate" . "(1S,16S)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.0^{1,13}.0^{2,7}]heptadeca-2(7),13-dien-4-one" . "4-[4-[3-[(3R)-3-dimethylaminopyrrolidin-1-yl]propoxy]phenyl]benzonitrile" . "2-[2-[3,3-di(phenyl)propyl]-3H-imidazol-4-yl]ethanamine" . "2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol" . "[3-hydroxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] (2,3,4,5,6-pentahydroxycyclohexyl) phosphate" . "Decyl dihydrogen phosphate" . "dodecyl phosphate" . "[(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] 2-trimethylazaniumylethyl phosphate" . "6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]thieno[2,3-e]pyrimidin-4-one" . "1-[4-[(3-fluorophenyl)amino]piperidin-1-yl]-2-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]ethanone" . "(2S)-N-[(2S)-3-(3-tert-butyl-4-hydroxyphenyl)-1-(ethylamino)-1-oxopropan-2-yl]-2-[[(2S)-3-(4-fluorophenyl)-2-(methylamino)propanoyl]-methylamino]-3-methylbutanamide;hydrochloride" . "N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide" . "(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(pyridin-4-ylmethylamino)butan-1-one" . "5-[3-[(2S)-2-[(3R)-3-hydroxy-4-[3-(trifluoromethyl)phenyl]butyl]-5-oxopyrrolidin-1-yl]propyl]thiophene-2-carboxylate" . "(5S)-1'-[(3,5-dimethylphenyl)methyl]-2-ethyl-6,8-dimethoxy-5-methylspiro[5,10-dihydroimidazo[1,5-b][2]benzazepine-3,4'-piperidine]-1-one" . "4-[1-[[2,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiophene-3-carbonyl]amino]cyclopropyl]benzoic acid" . "3-(4-fluorophenyl)-2-[[5-(4-fluorophenyl)-1-benzofuran-2-yl]methoxycarbonylamino]propanoic acid" . "[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethyloxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-[hydroxy(phenoxy)phosphoryl]oxyphosphoryl] hydrogen phosphate" . "[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-4-(3-phenylpropoxyamino)pyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate" . "3-(2-carboxy-2-phenyleth-1-en-1-yl)-4,6-dichloro-1H-indole-2-carboxylic acid" . "tetrasodium;[2-[[3-[[3-[[3-[[5-[[2,4-bis[[hydroxy(oxido)phosphoryl]methyl]phenyl]carbamoyl]-2-methylphenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]-4-methylbenzoyl]amino]-5-[[hydroxy(oxido)phosphoryl]methyl]phenyl]methyl-hydroxyphosphinate" . "ethyl N-[(3R,3aS,4S,4aR,7R,8aR,9aR)-4-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-3-methyl-1-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-naphtho[6,7-c]furan-7-yl]carbamate" . "1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)ethanone" . "4-(7-bromo-5-hydroxy-3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,5-dien-1-one" . "(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraen-1-ol" . "4-[4-(2-butoxyethoxy)-5-methyl-1,3-thiazol-2-yl]-2-fluorobenzoic acid" . "4-(4-octylphenyl)benzoic acid" . "N-[2-(2-fluorophenyl)-5-phenylpyrazol-3-yl]-4-nitrobenzamide" . "6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolan-2-yl]naphthalene-2-carboxylic acid" . "(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-octadecanoyloxypropoxy]phosphoryl]oxypropanoic acid" . "methyl (4S)-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate" . "(3R)-3-amino-1-hydroxypyrrolidin-2-one" . "2-(aminomethyl)cyclopropane-1-carboxylic acid" . "2-amino-2-(1H-1,2,3,4-tetrazol-5-yl)acetic acid" . "(2S)-2-amino-3-(3-oxo-7,8-dihydro-6H-cyclohepta[d][1,2]oxazol-4-yl)propanoic acid" . "(2S)-2-amino-3-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanoic acid" . "(2S)-2-amino-3-(5-iodo-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanoic acid" . "(5Z)-5-[(2S,6E)-13-(furan-3-yl)-10-hydroxy-2,6,10-trimethyltridec-6-en-1-ylidene]-4-hydroxy-3-methyl-2,5-dihydrofuran-2-one" . "4-amino-N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-chloro-2-(tritritiomethoxy)benzamide" . "(2S,4R)-2-amino-4-methylpentanedioate" . "1-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]-3-(6,8-ditritioisoquinolin-5-yl)urea" . "2-amino-3-(5-methyl-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)propanoic acid" . "2-amino-4-(phosphonomethyl)hept-3-enoic acid" . "4-[2-(4-azidophenyl)acetamido]-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid" . "4-(phosphonomethyl)piperidine-2-carboxylic acid" . "7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile" . "4-(3-phosphonopropyl)piperazine-2-carboxylic acid" . "4-[6-imino-3-(4-methoxyphenyl)-1,6-dihydropyridazin-1-yl]butanoic acid" . "2-aminoacetic acid" . "(2S,3S,4S)-3-(carboxylatomethyl)-4-(prop-1-en-2-yl)pyrrolidine-2-carboxylate" . "(2S,4R)-5,7-dichloro-4-(phenylcarbamoylamino)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid" . "1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide" . "1-methyl-16-azatetracyclo[7.6.1.0^{2,7}.0^{10,15}]hexadeca-2(7),3,5,10(15),11,13-hexaene" . "5-(aminomethyl)-2,3-dihydro-1,2-oxazol-3-one" . "3-[[3-[(2S)-2-amino-3-hydroxy-3-oxopropyl]-5-methyl-2,6-dioxopyrimidin-1-yl]methyl]thiophene-2-carboxylic acid" . "({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)methyl](hydroxy)phosphoryl}oxy)phosphonic acid" . "methyl 5-(4-methoxyphenyl)-1-methyl-2-oxo-6-(pyridin-4-yl)-1,2-dihydropyridine-3-carboxylate" . "1-methyl-4-({[3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxy}methyl)-1H-1,2,3-triazole" . "[(1R,3S)-3-aminocyclopentyl](butyl)phosphinic acid" . "2-(4-chlorophenoxy)butanoic acid" . "2-(4-chlorophenoxy)propanoic acid" . "[(1R,3R)-3-aminocyclopentyl](butyl)phosphinic acid" . "(3R,4aS,5S,6S,6aS,10aS,10bR)-3-ethenyl-6-hydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-dodecahydro-1H-naphtho[2,1-b]pyran-5-yl acetate" . "1-(3-hexanoyl-2,4,6-trihydroxyphenyl)hexan-1-one" . "(2R,6S,7S)-2-[(2R)-2-azaniumyl-2-carboxylatoethyl]-6,7-dihydroxy-hexahydro-2H-furo[3,2-b]pyran-2-carboxylate" . "(5Z,8Z,11Z,14Z)-20-hydroxyicosa-5,8,11,14-tetraenoic acid" . "2-(4-chlorophenoxy)-3-phenylpropanoic acid" . "(1S,2S,6S,10S,11R,13S,14R,15R)-14-(hexanoyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0^{2,6}.0^{11,13}]pentadeca-3,8-dien-13-yl hexanoate" . "2-(4-methyl-1H-imidazol-5-yl)acetic acid" . "1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone" . "N-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]-7-methyloctanamide" . "2-tert-butyl-5-methylphenol" . "(2R,6S)-2-[(2S)-2-azaniumyl-2-carboxylatoethyl]-6-hydroxy-hexahydro-2H-furo[3,2-b]pyran-2-carboxylate" . "anthracene-9-carboxylic acid" . "phenanthren-9-ol" . "5-{[(3-phenoxyphenyl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid" . "6-{2-[2-methyl-1-(propan-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]cyclopropyl}naphthalene-2-carboximidamide" . "3-(isoquinolin-5-yl)-1-{[4-(trifluoromethyl)phenyl]methyl}urea" . "3-{[5-(2,3-dichlorophenyl)-1H-1,2,3,4-tetrazol-1-yl]methyl}pyridine" . "N-{1-[(E)-[(cyanoamino)[(quinolin-5-yl)amino]methylidene]amino]-2,2-dimethylpropyl}-2-(3,4-dimethoxyphenyl)acetamide" . "1-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]-3-isoquinolin-5-ylurea" . "1-cyano-2-[(1S)-1-phenylethyl]-3-(quinolin-5-yl)guanidine" . "1-(2,3-dichlorophenyl)-N-{[2-(pyridin-2-yloxy)phenyl]methyl}-1H-1,2,3,4-tetrazol-5-amine" . "3-({3-[(2S)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}methyl)-5-phenylthiophene-2-carboxylic acid" . "{[(2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-4-{[(2R,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-bis(phosphonooxy)oxan-2-yl]oxy}-5-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid" . "5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine" . "2-(4-aminobutyl)guanidine" . "adamantan-1-amine" . "N-[4-({6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)-1,3-benzothiazol-2-yl]acetamide" . "N-{4-[(6-{4-[(1R)-1-(4-fluorophenyl)ethyl]piperazin-1-yl}pyrimidin-4-yl)oxy]-1,3-benzothiazol-2-yl}acetamide" . "2-amino-3-(5-methyl-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)propanoic acid" . "N-(3-aminopropyl)-2-[(3-methylphenyl)methoxy]-N-(thiophen-2-ylmethyl)benzamide" . "1-[(4-methoxyphenyl)carbonyl]pyrrolidin-2-one" . "(E)-N-[(3E)-4-(4-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine" . "5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one" . "2-{4-[(diaminomethylidene)amino]butyl}guanidine" . "(2S)-N-(5-{[3-({3-[(2S)-2-amino-5-[(diaminomethylidene)amino]pentanamido]propyl}amino)propyl]amino}pentyl)-2-[2-(2,4-dihydroxyphenyl)acetamido]butanediamide" . "2-acetyloxybenzoic acid" . "2-azaniumyl-3-(5-tert-butyl-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)propanoate" . "2-amino-3-[5-tert-butyl-3-(phosphonomethoxy)-1,2-oxazol-4-yl]propanoic acid" . "3-{1-[4-(3-nitrophenyl)phenoxy]-4-(pyridin-4-yl)butan-2-yl}-1,3-thiazolidine-2,4-dione" . "1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-3-ol" . "3,5-diamino-N-(N'-benzylcarbamimidoyl)-6-chloropyrazine-2-carboxamide" . "sodium 3-({[(1E,4E)-4-({4-[(4-ethoxyphenyl)amino]phenyl}(4-{ethyl[(4-sulfonatophenyl)methyl]amino}-2-methylphenyl)methylidene)-3-methylcyclohexa-2,5-dien-1-ylidene](ethyl)azaniumyl}methyl)benzene-1-sulfonate" . "(Z)-4-aminobut-2-enoic acid" . "1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-4-phenylpiperidin-4-ol" . "2-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl]-5-pentylbenzene-1,3-diol" . "(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(4-hydroxy-4-oxobutanoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid" . "4-chlorobenzo[f]isoquinoline" . "4-({4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl)benzoic acid" . "(E)-2-amino-4-methyl-5-phosphonopent-3-enoic acid" . "(2S,4R)-4-(phosphonomethyl)piperidine-2-carboxylic acid" . "2-phenyl-1H,2H,3H-pyrazolo[4,3-c]quinolin-3-one" . "2-[(2-chlorophenyl)methylidene]propanedinitrile" . "{2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]ethyl}diethylamine" . "3-{bicyclo[2.2.1]hept-5-en-2-yl}-6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide" . "(4R)-4-amino-4-carboxybutyl]-hydroxyphosphinate" . "4-[(2E)-3-phosphonoprop-2-en-1-yl]piperazine-2-carboxylic acid" . "(2R)-2-amino-3-hydroxypropanoic acid" . "1-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione" . "4-chloro-2-[(3-chlorophenyl)amino]benzoic acid" . "4-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid" . "1,3-dibutyl-5-[5-(1,3-dibutyl-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)penta-2,4-dien-1-ylidene]-1,3-diazinane-2,4,6-trione" . "5-isothiocyanato-2-[2-(4-isothiocyanato-2-sulfophenyl)ethenyl]benzene-1-sulfonic acid" . "methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate" . "(2S,3S,4S)-4-[(2Z,4E,6R)-6-carboxy-6-methylhexa-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid" . "2-(phenylamino)benzoic acid" . "4-chloro-N-[6,8-dibromo-2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide" . "4-chloro-N-[2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide" . "(2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6-hydroxy-7-(methylamino)-hexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid" . "3-amino-6-chloro-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide" . "[(2S,5S,7R,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxidanesulfonic acid" . "3-ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate" . "2-{[3-(trifluoromethyl)phenyl]amino}benzoate" . "ethyl 12-fluoro-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,11,13-pentaene-5-carboxylate" . "5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H-1,4-benzodiazepin-2-one" . "(2S,3S,4S)-3-(carboxylatomethyl)-4-(prop-1-en-2-yl)pyrrolidine-2-carboxylate" . "methanesulfonic acid; 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethylsulfanylmethanimidamide" . "N-{2-[4-(4-cyanophenyl)phenyl]propyl}propane-2-sulfonamide" . "6-[(2-carboxy-4,4-difluoropyrrolidin-1-yl)methyl]-decahydroisoquinoline-3-carboxylic acid" . "2-(3-fluoro-4-phenylphenyl)propanoic acid" . "formaldehyde" . "4-[6-imino-3-(4-methoxyphenyl)-1,6-dihydropyridazin-1-yl]butanoic acid" . "5-amino-3-(3,4-dichlorophenyl)-1,2,3$l^{5},4-oxatriazol-3-ylium" . "(1S,2S,4S,5S,6R,9R,17S)-4-tert-butyl-2,6-dihydroxy-14-methyl-8,10,16-trioxapentacyclo[9.7.0.0^{1,5}.0^{5,9}.0^{13,17}]octadeca-11,13-diene-7,15-dione" . "N'-[(3,5-dibromo-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-(naphthalen-2-ylamino)acetohydrazide" . "1-(4-methylquinazolin-2-yl)guanidine" . "7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-yl)naphthalen-2-yl]-2,3,8-trihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1-carbaldehyde" . "N-[(2S)-1-[4-[(2S)-2-[(2,4-dichlorophenyl)sulfonylamino]-3-hydroxypropanoyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide" . "({[({[5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(sulfanylidene)phosphonous acid" . "4,6-dichloro-3-{[(3E)-2-oxo-1-phenylpyrrolidin-3-ylidene]methyl}-1H-indole-2-carboxylate" . "10-(4-aminophenyl)-N,13-dimethyl-4,6-dioxa-11,12-diazatricyclo[7.5.0.0^{3,7}]tetradeca-1(9),2,7,10-tetraene-12-carboxamide" . "4-{13-methyl-4,6-dioxa-11,12-diazatricyclo[7.5.0.0^{3,7}]tetradeca-1(9),2,7,10,12-pentaen-10-yl}aniline" . "2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-[4-(propan-2-yl)phenyl]acetamide" . "bis[(thiophen-2-yl)carbonyl]-1,2,5-oxadiazol-2-ium-2-olate" . "2-methyl-1-[3-(morpholin-4-yl)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide" . "(3S,4aR,6S,8aR)-6-[(4-carboxyphenyl)methyl]-decahydroisoquinoline-3-carboxylic acid" . "N-{2-[4-(2-fluorophenyl)phenyl]propyl}propane-2-sulfonamide" . "(2S,3S,4R,5R,6R)-6-{[(2S,3S,4S,5R,6S)-6-{[(2R,3S,4S,5R)-2-carboxy-4,6-dihydroxy-5-(sulfooxy)oxan-3-yl]oxy}-2-hydroxy-4-(sulfomethyl)-5-(sulfooxy)oxan-3-yl]oxy}-3-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-[(sulfooxy)methyl]oxan-2-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid" . "3-(carboxymethyl)pyridine-2-carboxylic acid" . "2-[(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]acetic acid" . "2-(2-{[10-(6-amino-2-{6-amino-2-[2-(2-{[7,34-bis(4-aminobutyl)-37-{2-[2-(2-{[10-(4-aminobutyl)-22-(3-carboxy-2-{2-[3-carboxy-2-(3-hydroxy-2-{2-[(5-oxopyrrolidin-2-yl)formamido]-3-phenylpropanamido}butanamido)propanamido]-3-methylbutanamido}propanamido)-7-(2-carboxyethyl)-13,19-bis(hydroxymethyl)-6,9,12,15,18,21-hexaoxo-16-(propan-2-yl)-1,2-dithia-5,8,11,14,17,20-hexaazacyclotricosan-4-yl]formamido}-3-(1H-indol-3-yl)propanamido)-3-hydroxypropanamido]-3-methylbutanamido}-25-benzyl-13-(3-carbamimidamidopropyl)-16,31-bis(carboxymethyl)-28-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-19-(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacontan-4-yl]formamido}-4-(methylsulfanyl)butanamido)acetamido]hexanamido}hexanamido)-7-(3-carbamimidamidopropyl)-6,9-dioxo-1,2-dithia-5,8-diazacycloundecan-4-yl]formamido}-3-(4-hydroxyphenyl)propanamido)-4-carbamoylbutanoic acid" . "7-chloro-3-methyl-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-1,1-dione" . "1,5,9-trimethyl-12-(propan-2-yl)-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-yl acetate" . "N-methyl-N-(3-{3-[(thiophen-2-yl)carbonyl]pyrazolo[1,5-a]pyrimidin-7-yl}phenyl)acetamide" . "{[(1R,2S,3R,4R,5S,6R)-2,3,5-trihydroxy-4,6-bis(phosphonooxy)cyclohexyl]oxy}phosphonic acid" . "(1S,2R,3R,4R,5R,6S)-2,3,5-trihydroxy-4,6-bis(phosphonatooxy)cyclohexyl phosphate" . "[(1R,2S,3S,4R,5S,6R)-3,4-dihydroxy-2,5,6-triphosphonooxycyclohexyl] dihydrogen phosphate" . "[[[bis[[(2R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryloxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate" . "1,2,3,6-tetrahydropyridine-4-carboxylic acid" . "piperidine-4-carboxylic acid" . "4-[3-(trifluoromethyl)pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide" . "(2S)-N-{5-[3-({4-[(3-aminopropyl)amino]butyl}amino)propanamido]pentyl}-2-[2-(2,4-dihydroxyphenyl)acetamido]butanediamide" . "3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-methanesulfonamidophenyl)methyl]thiourea" . "2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one" . "7-chloro-4-{4-[(4-chlorobenzene)sulfonyl]piperazin-1-yl}quinoline" . "4-[(2S)-2-(N-methylisoquinoline-5-sulfonamido)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl isoquinoline-5-sulfonate" . "({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}methyl)phosphonic acid" . "ethyl 15-methoxy-12-oxo-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(13),3,5,14,16-pentaene-5-carboxylate" . "(2S,4R)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid" . "7-chloro-2-hydroxy-3-(3-phenoxyphenyl)-1,4-dihydroquinolin-4-one" . "5-({[7-tert-butyl-3-(2,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy}methyl)-1-methyl-1H-1,2,4-triazole" . "7-[(2R,4aR,5R,7aR)-2-(1,1-difluoropentyl)-2-hydroxy-6-oxo-3,4,4a,5,7,7a-hexahydrocyclopenta[e]pyran-5-yl]heptanoic acid" . "(2R,4S)-4-(1H-1,2,3,4-tetrazol-5-ylmethyl)piperidine-2-carboxylic acid" . "(3R,4aS,6R,8aS)-6-(1H-1,2,3,4-tetrazol-5-ylmethyl)-decahydroisoquinoline-3-carboxylic acid" . "(3S,4aR,6R,8aR)-6-[2-(1H-1,2,3,4-tetrazol-5-yl)ethyl]-decahydroisoquinoline-3-carboxylic acid" . "2-amino-4-[(2E)-3-(naphthalen-2-yl)prop-2-en-1-yl]pentanedioic acid" . "4-{4-[(2R)-2-fluoro-1-(propane-2-sulfonamido)propan-2-yl]phenyl}-N-methylbenzamide" . "[2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol" . "3,5-dimethyladamantan-1-amine" . "2,6-diamino-4-(piperidin-1-yl)pyrimidin-1-ium-1-olate" . "4-methyl-2-(piperidin-1-yl)quinoline" . "1-(5-chloronaphthalene-1-sulfonyl)-1,4-diazepane" . "5-({[3-tert-butyl-7-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-d][1,2,4]triazin-2-yl]oxy}methyl)-1-methyl-1H-1,2,4-triazole" . "(2R,3aR,7aR)-2-[(2S)-2-azaniumyl-2-carboxylatoethyl]-hexahydro-2H-furo[3,2-b]pyran-2-carboxylate" . "5-(aminomethyl)-2,3-dihydro-1,2-oxazol-3-one" . "N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide" . "(5Z,8Z,11Z,14Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]icosa-5,8,11,14-tetraenamide" . "6-carbamimidoylnaphthalen-2-yl 4-[(diaminomethylidene)amino]benzoate" . "1-{2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl}pyrrolidine" . "6-nitro-2,3-dioxo-1H,2H,3H,4H-benzo[f]quinoxaline-7-sulfonamide" . "4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol" . "1,3,5-trisodium 8-{[3-({[3-({4,6,8-tris[(sodiooxy)sulfonyl]naphthalen-1-yl}carbamoyl)phenyl]carbamoyl}amino)benzene]amido}naphthalene-1,3,5-trisulfonate" . "1,3-disodium 4-{[3-({[3,5-bis({2,4-bis[(sodiooxy)sulfonyl]phenyl}carbamoyl)phenyl]carbamoyl}amino)-5-({2,4-bis[(sodiooxy)sulfonyl]phenyl}carbamoyl)benzene]amido}benzene-1,3-disulfonate" . "(2R)-2-(methylamino)butanedioic acid" . "[(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] cyclopropanecarboxylate" . "5-nitro-2-[(3-phenylpropyl)amino]benzoic acid" . "1-(5-chloro-2-hydroxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one" . "1-[2-hydroxy-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one" . "1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-bromo-2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]urea" . "4,6-dibenzamidobenzene-1,3-dicarboxylic acid" . "4-[4-[(3,5-dichlorophenyl)carbamoylamino]-2-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide" . "[(S)-{[(1S)-1-(4-bromophenyl)ethyl]amino}(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)methyl]phosphonic acid" . "4-{3-[(pyridin-2-yl)carbonyl]pyrazolo[1,5-a]pyrimidin-7-yl}pyridine" . "octan-1-ol" . "4-(cyclohexyloxy)-2-(1-{4-[(4-methoxybenzene)sulfonyl]piperazin-1-yl}ethyl)quinazoline" . "5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methane]sulfinyl}-1H-1,3-benzodiazole" . "3,5-diamino-6-chloro-N-(N'-{4-[4-(2,3-dihydroxypropoxy)phenyl]butyl}carbamimidoyl)pyrazine-2-carboxamide" . "3,5-diamino-N-[(1E)-amino(phenylamino)methylidene]-6-chloropyrazine-2-carboxamide" . "1-(1-phenylcyclohexyl)piperidine" . "(7R,9E)-17-{[(4-hydroxy-3-methoxyphenyl)methyl]carbamoyl}heptadec-9-en-7-yl 2-phenylacetate" . "2-[2-(1H-indol-3-yl)-N-methylacetamido]-2-phenyl-N-[4-(propan-2-yl)phenyl]acetamide" . "3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one" . "piperidine-4-sulfonic acid" . "2-(2-oxopyrrolidin-1-yl)acetamide" . "2-amino-3-{3-[2-(phosphonomethyl)phenyl]phenyl}propanoic acid" . "[(1S,2R,5S,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxidanesulfonic acid" . "2-(diethylamino)ethyl 4-aminobenzoate" . "ethyl 1-[4-(trichloroprop-2-enamido)phenyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate" . "2,4-dichloro-N-(propan-2-yl)-N-{2-[(propan-2-yl)amino]ethyl}benzene-1-sulfonamide" . "1-benzyl-4-[(4-chloro-2-nitrobenzene)sulfonyl]piperazine" . "ethyl 12-azido-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,11,13-pentaene-5-carboxylate" . "tert-butyl 8-methyl-7-oxo-5-thia-1,8,12-triazatricyclo[8.3.0.0^{2,6}]trideca-2(6),3,10,12-tetraene-11-carboxylate" . "5-{[4,5-dimethoxy-2-(propan-2-yl)phenyl]methyl}pyrimidine-2,4-diamine" . "15-bromo-5-(difluoromethyl)-2,4,8,9,11-pentaazatetracyclo[11.4.0.0^{2,6}.0^{8,12}]heptadeca-1(17),3,5,9,11,13,15-heptaene" . "4-{3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-yl]-2-hydroxypropoxy}benzamide" . "tert-butyl 12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,10,12-pentaene-5-carboxylate" . "(1R,2R,3S,6S,7S,9S,10R,11S,12R,13S,14R)-2,6,9,11,13,14-hexahydroxy-3,7,10-trimethyl-11-(propan-2-yl)-15-oxapentacyclo[7.5.1.0^{1,6}.0^{7,13}.0^{10,14}]pentadecan-12-yl 1H-pyrrole-2-carboxylate" . "(6S)-8$l^{6}-thia-2,7-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),10,12-triene-8,8-dione" . "N-(2-hydroxyethyl)-4-methyl-2-[(4-methyl-1H-indol-3-yl)sulfanyl]pentanamide" . "(3S,7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol" . "(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R,6R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol" . "2-hydroxybenzoic acid" . "4-[5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-imidazol-2-yl]phenol" . "(2E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide" . "1-(2-bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea" . "1-(2-bromophenyl)-3-[(3R)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]urea" . "6-[(2-ethoxyphenyl)(methyl)sulfamoyl]-4-oxo-N-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide" . "5-acetamido-2-[(E)-2-(5-isothiocyanato-2-sulfophenyl)ethenyl]benzenesulfonic acid" . "1-(6-chloropyridin-2-yl)piperidin-4-amine" . "(2S,4R)-2-amino-4-methylpentanedioate" . "propan-2-yl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate" . "(2R,3R,4S,5R,6S)-4,5,6-tris({3,4-dihydroxy-5-[(3,4,5-trihydroxyphenyl)carbonyloxy]phenyl}carbonyloxy)-2-[({3,4-dihydroxy-5-[(3,4,5-trihydroxyphenyl)carbonyloxy]phenyl}carbonyloxy)methyl]oxan-3-yl 3,4-dihydroxy-5-[(3,4,5-trihydroxyphenyl)carbonyloxy]benzoate" . "4-tert-butyl-2,6,7-trioxa-1$l^{5}-phosphabicyclo[2.2.2]octane-1-thione" . "2-hydroxy-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone" . "2H,3H,4H,5H,6H,7H-[1,2]oxazolo[5,4-c]pyridin-3-one" . "8-(diethylamino)octyl 3,4,5-trimethoxybenzoate" . "6-amino-9-[4'-({[hydroxy({[hydroxy(phosphonatooxy)phosphoryl]oxy})phosphoryl]oxy}methyl)-2,4,6-trinitrospiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole]-2,4-dien-6'-yl]-5H-1,3,7,9$l^{5}-purin-9-ylium" . "(3S,7R,8S,9S,10R,13R,14S,17R)-17-[(2R,6R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol" . "(3S,7R,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol" . "2-[4-[(Z)-4-chloro-1,2-di(phenyl)but-1-enyl]phenoxy]-N,N-dimethylethanamine" . "5-fluoro-2-{2-fluoro-5-[8-fluoro-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl}benzonitrile" . "5-({[7-tert-butyl-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy}methyl)-1-ethyl-1H-1,2,4-triazole" . "P-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-phosphinate" . "6-phenylpteridine-2,4,7-triamine" . "dimethyl({3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl})amine" . "1-[2-(trifluoromethyl)phenyl]-1H-imidazole" . "(2R,3S)-1-[(phenanthren-3-yl)carbonyl]piperazine-2,3-dicarboxylic acid" . "2-({3-[(2S)-2-amino-2-carboxyethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}methyl)benzoic acid" . "3-[[3-[(2S)-2-amino-3-hydroxy-3-oxopropyl]-5-methyl-2,6-dioxopyrimidin-1-yl]methyl]thiophene-2-carboxylic acid" . "2-(pyridin-4-yl)-4H-benzo[h]chromen-4-one" . "6-(furan-2-yl)-2-(pyridin-4-yl)-4H-benzo[h]chromen-4-one" . "1-(3-chlorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one" . "3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate" . "4-methyl-2-(5-phenyl-1H-pyrazol-3-yl)phenol" . "N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide" . "(1R,2S,5R)-N-(4-methoxyphenyl)-5-methyl-2-(propan-2-yl)cyclohexane-1-carboxamide" . "(1R,8S,10R,15S,22S,29R)-9,30-dioxa-11,25-diazapentacyclo[20.6.2.2^{8,11}.0^{10,15}.0^{25,29}]dotriacontane" . "N-(3-{3-cyanopyrazolo[1,5-a]pyrimidin-7-yl}phenyl)-N-ethylacetamide" . "ethyl 6-(benzyloxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate" . "ethyl 4-methyl-5-(propan-2-yloxy)-9H-pyrido[3,4-b]indole-3-carboxylate" . "N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide" . "3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(2+)" . "(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol" . "(3S,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol" . "4-(Dipropylsulfamoyl)benzoic acid" . "5-(2-fluorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one" . "N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[3,2-a]pyridin-3-yl]acetamide" . "ethyl 15-methoxy-12-oxo-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(13),3,5,14,16-pentaene-5-carboxylate" . "ethyl 8-ethynyl-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate" . "ethyl 8-azido-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate" . "2-phenyl-1H-pyrazolo[4,5-c]quinolin-3-one" . "ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate" . "ethyl 8-fluoro-5-(2-fluoroethyl)-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate" . "4-tert-butyl-1-sulfanylidene-2,6,7-trioxa-1$l^{5}-phosphabicyclo[2.2.2]octane" . "4-[(1S)-1-hydroxy-2-methylaminoethyl]benzene-1,2-diol" . "3,3-bis(3,5-dibromo-4-hydroxy-2-methylphenyl)-3H-2,1$l^{6}-benzoxathiole-1,1-dione" . "(2S)-2-amino-3-{[4-(2-bromo-4,5-difluorophenoxy)phenyl]carbamoyl}propanoic acid" . "(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one" . "[(2R,5R)-5-[(5-fluoropyridin-2-yl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone" . "N-[[(2S)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide" . "(Z)-7-[(1S,2S,3R,5S)-3-[(E,3S)-3-hydroxyoct-1-enyl]-4,7-dioxabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid" . "(Z)-7-[(1S,2R,3R,4R)-3-[(E,3S)-3-hydroxyoct-1-enyl]-5,6-dioxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid" . "(Z)-7-[(2R,3S,4S)-4-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-6-oxooxan-3-yl]hept-5-enoic acid" . "[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate" . "O5-methyl O3-propan-2-yl 4-(2,1,3-benzoxadiazol-7-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate" . "2-[(2-aminoacetyl)-methylamino]acetic acid" . "2,6-dimethyl-N-[(S)-{1-[(3H3)methyl(methyl)amino]cyclopentyl}(phenyl)methyl]benzamide" . "(2R)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxy-S-[(4-3H)naphthalen-1-yl]propane-1-sulfonamido" . "(2S,3S)-2-amino-3-[(3-{4-[(1,2-3H2)ethyl]benzamido}phenyl)methoxy]butanedioic acid" . "2-hydroxy-2-{4-[4-(2-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl)phenyl]phenyl}-4,4-dimethylmorpholin-4-ium dibromide" . "2-[4-[4-(2-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl)phenyl]phenyl]-4,4-dimethylmorpholin-4-ium-2-ol" . "(1R,2R,3r,4S,5S,6s)-cyclohexane-1,2,3,4,5,6-hexol" . "2-(1-methylcarbamimidamido)acetic acid" . "(2S,3S)-2-amino-3-hydroxybutanedioic acid" . "(2S)-1-{2-amino-6-[(4-nitrophenoxycarbonyl)amino]hexanoyl}pyrrolidine-2-carboxylic acid" . "2-{2-azaniumyl-6-[(4-nitrophenoxycarbonyl)amino]hexanamido}-6-({[(4-nitrophenyl)methoxy]carbonyl}amino)hexanoate" . "(2S)-2-amino-3-(benzyloxy)propanoic acid" . "(2R)-2-amino-3-(benzylsulfanyl)propanoic acid" . "1-[(diaminomethylidene)amino]-N,N-dimethylmethanimidamide" . "disodium 2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfonatophenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]benzene-1-sulfonate" . "disodium 2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfonatophenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]benzene-1-sulfonate" . "(2S)-2-amino-3-carbamoylpropanoic acid" . "(2S)-2-aminobutanedioic acid" . "(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol" . "(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol" . "(2S)-2-azaniumyl-4-[(4-nitrophenyl)carbamoyl]butanoate" . "diammonium carbonate" . "(2S,3R,4S,5R)-2-(6-hydroxy-9H-purin-9-yl)-5-(hydroxymethyl)-2-{[(2-nitrophenyl)methyl]sulfanyl}oxolane-3,4-diol" . "(2S,3R,4S,5R)-2-(6-hydroxy-9H-purin-9-yl)-5-(hydroxymethyl)-2-{[(2-nitrophenyl)methyl]sulfanyl}oxolane-3,4-diol" . "2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-{[(2-nitrophenyl)methyl]sulfanyl}-6,9-dihydro-1H-purin-6-one" . "technetiumoylolate" . "(2S,4R)-pyrrolidin-1-ium-2,4-dicarboxylate" . "3-bromo-2-oxopropanoate" . "2,2-dichloroacetate" . "2,3,4,5,6-pentahydroxyhexanoate" . "(3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate" . "2-oxo-1,3-thiazolidine-4-carboxylate" . "3-oxobutanoate" . "(1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl sulfate" . "(2S)-2-amino-3-sulfanylpropanoic acid" . "oxalate" . "urea" . "formate" . "{[(2R,3S,4R,5R)-2-({[({[(3R)-3-{[2-({2-[(1-14C)acetylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid" . "(2S)-2-aminopropanoic acid" . "(2S)-2-aminopropanoic acid" . "2-[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]acetic acid" . "2-[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]acetic acid" . "2-[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]ethane-1-sulfonic acid" . "2-[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]ethane-1-sulfonic acid" . "2-[(4R)-4-[(1S,2S,5R,7R,10R,11S,14R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]ethane-1-sulfonic acid" . "2-(trimethylazaniumyl)acetate" . "(2-hydroxyethyl)trimethylazanium" . "1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium dichloride" . "prop-2-enamide" . "9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-3H-purin-6-one" . "6,7-dihydro-3H-purin-6-one" . "2-amino-6,9-dihydro-1H-purin-6-one" . "3,7-dihydropurine-2,6-dione" . "tetraphenylphosphanium" . "(2S)-2-(3-aminopropanamido)-3-(1H-imidazol-4-yl)propanoic acid" . "1,2,3,4-tetrahydropyrimidine-2,4-dione" . "(3S,4R)-4-(4-fluorophenyl)-3-[(6-tritio-1,3-benzodioxol-5-yl)oxymethyl]piperidine" . "(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid" . "(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid" . "piperidine-3-carboxylic acid" . "benzoate" . "1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione" . "2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one" . "1-methyl-4-phenylpyridin-1-ium" . "3,8-diamino-5-ethyl-6-phenylphenanthridin-5-ium" . "(7S,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25(29),26-octaen-13-yl acetate" . "(2S,3S,4R)-3-(carboxylatomethyl)-4-(propan-2-yl)pyrrolidine-2-carboxylate" . "(1R,4S,7S,9S,10S,13R,15S)-15-hydroxy-7-{[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3-[(3-methylbutanoyl)oxy]-4,5-bis(sulfooxy)oxan-2-yl]oxy}-9-methyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5,5-dicarboxylic acid" . "2-amino-3-methylpentanedioic acid" . "[1-(2H-1,3-benzodioxol-5-yl)propan-2-yl](methyl)amine" . "tetraethylazanium" . "N-{1-tert-butyl-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl}-4-methylbenzamide" . "3-(2-{[3-(2-carboxyethyl)-5-{[(2Z)-3-ethenyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-{[(2Z)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid" . "[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphosphoryl] hydrogen phosphate" . "tetrasodium (6E)-4-amino-6-[[4-[4-[(2E)-2-(8-amino-1-oxo-5,7-disulfonatonaphthalen-2-ylidene)hydrazinyl]-3-methylphenyl]-2-methylphenyl]hydrazinylidene]-5-oxonaphthalene-1,3-disulfonate" . "3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium" . "5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione" . "2-[methyl-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetic acid" . "2-[methyl-[3-[4-(4-methylbenzoyl)phenoxy]-3-phenylpropyl]amino]acetic acid" . "2-{methyl[(3R)-3-[4-(4-methylbenzoyl)phenoxy]-3-phenylpropyl]amino}acetic acid" . "1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one" . "(2S,3R,4R,5S,6R)-2-(3-{[5-(4-fluorophenyl)thiophen-2-yl]methyl}-4-methylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol" . "4-{[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]amino}-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol" . "2-amino-6-chloro-N-[(1S)-1-{4-phenyl-1-[propane-1-(35S)sulfonyl]piperidin-4-yl}ethyl]benzamide" . "octanoic acid" . "(2R,3R,4R,5S)-1-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol" . "ethyl [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{2-[(4-methoxyphenyl)methyl]phenoxy}oxan-2-yl]methyl carbonate" . "2-(4-propan-2-yloxyphenyl)-1-[5-propan-2-yl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrazol-4-yl]ethanone" . "2-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]acetic acid" . "1-{[(4-amino-2,6-dichlorophenyl)carbamoyl]methyl}-4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide" . "5-(4-chlorophenyl)-2H,3H,5H-imidazo[2,1-a]isoindol-5-ol" . "1-(4-chlorophenyl)propan-2-amine" . "3-amino-6-chloro-5-{[(4-chlorophenyl)methyl]amino}-N-[(1E)-{2-[(2,4-dimethylphenyl)methyl]hydrazin-1-yl}methylidene]pyrazine-2-carboxamide" . "(2S,3R,4R,5S,6R)-2-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-6-(hydroxymethyl)oxane-3,4,5-triol" . "3-amino-6-chloro-N-(diaminomethylidene)-5-[methyl(propyl)amino]pyrazine-2-carboxamide" . "3,5-diamino-6-chloro-N-[(E)-N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]pyrazine-2-carboxamide" . "N-[(S)-[1-(dimethylamino)cyclopentyl](phenyl)methyl]-2,6-dimethylbenzamide" . "2-[2-amino-N-methyl(1-14C)acetamido]acetic acid" . "2-chloro-N-[(S)-[(2S)-1-methylpiperidin-2-yl](phenyl)methyl]-3-(trifluoromethyl)benzamide" . "2-chloro-N-[(S)-[(2S)-1-methylpiperidin-2-yl](phenyl)methyl]-3-(trifluoromethyl)benzamide" . "methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate" . "methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate" . "[6-amino-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium" . "{[(2S,3S,11bS)-2-hydroxy-10-methoxy-11b-methyl-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-9-yl]oxy}(11C)methylidyne" . "2-amino-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile" . "1-[3-(9H-carbazol-9-yl)propyl]-4-(2-methoxyphenyl)piperidin-4-ol" . "1-(2-{bis[4-(trifluoromethyl)phenyl]methoxy}ethyl)-1,2,5,6-tetrahydropyridine-3-carboxylic acid" . "ethyl({1-[3-(trifluoromethyl)phenyl]propan-2-yl})amine" . "1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione" . "2-{4-[(2,5-difluorophenyl)methoxy]phenoxy}-5-ethoxyaniline" . "2-{[(3R)-3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl](methyl)amino}acetic acid" . "2-{[3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl](methyl)amino}acetic acid" . "2-{[3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl](methyl)amino}acetic acid" . "1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile" . "(2S)-2-amino-3-{[2-(benzyloxy)phenyl](3-fluorophenyl)methoxy}propanoic acid" . "(2S)-2-amino-3-(1H-imidazol-4-yl)(2-14C)propanoic acid" . "amino(14C)methylidyne" . "(2S,3S)-2-amino-3-(phenylmethyl)butanedioic acid" . "(2S)-2-amino-3-[(9H-fluoren-2-yl)carbamoyl]propanoic acid" . "(2S)-2-amino-3-{4-[4-hydroxy-3-(125I)iodo-5-iodophenoxy]-3,5-diiodophenyl}propanoic acid" . "3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium" . "3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium" . "(2R,3R,5S)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-ol" . "(2S,3S)-2-amino-3-(phenylmethoxy)butanedioic acid" . "2-[(1R,4S,10S,13S,16S,34S)-34-(butan-2-yl)-13-[(3R)-3,4-dihydroxybutan-2-yl]-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27$l^{4}-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14.12.11.0^{6,10}.0^{18,26}.0^{19,24}]nonatriaconta-18(26),19,21,23-tetraen-4-yl]acetamide" . "(2S)-2-amino-4-carbamoylbutanoic acid" . "(2S)-2-amino-4-carbamoylbutanoic acid" . "2-aminoacetic acid" . "3-(2-methoxyphenoxy)-3-phenyl-N-(tritritiomethyl)propan-1-amine" . "3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine" . "1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazine" . "1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazine" . "(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol" . "(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol" . "(4R,5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol" . "(4S,5R,6R,7S,8R)-5-acetamido-4,6,7,8,9-pentahydroxy-2-oxononanoic acid" . "(1R,2R,3S,4S,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol" . "(2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol" . "{[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}phosphonic acid" . "(1R,2R,3S,4R,5r,6S)-cyclohexane-1,2,3,4,5,6-hexol" . "(1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol" . "(3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol" . "(5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one" . "[(1-methyl-1,2-dihydropyridin-2-ylidene)methyl](oxo)azanium" . "(3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one" . "(2S)-azetidine-2-carboxylic acid" . "5-amino-2-hydroxybenzoate" . "4-methyl-2-oxopentanoic acid" . "2-oxohexanedioic acid" . "3-carbamoyl-1-methylpyridin-1-ium" . "2-(2-amino-N-methylacetamido)acetic acid" . "acetamide" . "methylurea" . "(2R,4S,5R,6R)-2-[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid" . "3-{4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl}-1-cyclohexylurea" . "N-(4-methyl-1,3-thiazol-2-yl)-2-[(6-phenylpyridazin-3-yl)sulfanyl]acetamide" . "1-methyl-4-{[4-({4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}quinolin-1-ium" . "4-(benzyloxy)-N-{[1-(dimethylamino)cyclopentyl]methyl}-3,5-dimethoxybenzamide" . "3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid" . "1-(2-{[(diphenylmethylidene)amino]oxy}ethyl)-1,2,5,6-tetrahydropyridine-3-carboxylic acid" . "(2S)-2-amino-3-(1H-imidazol-4-yl)propanoic acid" . "(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid" . "(2S)-2-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]formamido}-3-phenylpropanoic acid" . "(2S)-2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid" . "(2S)-2-[(4-{[(2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid" . "(2R)-pyrrolidine-2-carboxylic acid" . "(3S)-1-{2-[tris(4-methoxyphenyl)methoxy]ethyl}piperidine-3-carboxylic acid" . "(2R)-2-aminopropanoic acid" . "(2R)-2-amino-3-(1H-imidazol-4-yl)propanoic acid" . "(2R)-2-amino-5-[(diaminomethylidene)amino]pentanoic acid" . "(2R)-2,6-diaminohexanoic acid" . "(2R)-2,5-diaminopentanoic acid" . "(2R)-2-amino-5-(carbamoylamino)pentanoic acid" . "(2R)-2-[(4-{[(2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid" . "(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid" . "(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,10R,11S,14S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-yl]oxy}oxane-2-carboxylic acid" . "(2S,3S,4S,5R,6S)-6-{[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid" . "(2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-(carboxymethyl)-6-methoxy-2,5,17-trimethyldocosa-2,4,8,10,14,18,20-heptaenedioic acid" . "2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid" . "1,2,5,6-tetrahydropyridine-3-carboxylic acid" . "2-(phosphonooxy)prop-2-enoic acid" . "2-amino-3-(1H-indol-3-yl)-2-methylpropanoic acid" . "2-amino-3-(1-methyl-1H-indol-3-yl)propanoic acid" . "2-amino-3-sulfinopropanoic acid" . "2-methyl-2-(methylamino)propanoic acid" . "(2R)-2-aminobutanedioic acid" . "(3S)-3-hydroxybutanoic acid" . "2-aminobicyclo[2.2.1]heptane-2-carboxylic acid" . "benzene-1,2,3-tricarboxylic acid" . "4-(aminomethyl)benzoic acid" . "5-oxopyrrolidine-2-carboxylic acid" . "(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid" . "1-(4,4-diphenylbut-3-en-1-yl)piperidine-3-carboxylic acid" . "3-[(diaminomethylidene)amino]propanoic acid" . "(2R)-2-aminopentanedioic acid" . "3-(1H-indol-3-yl)propanoic acid" . "(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid" . "4-[(1S,2S,5S,7R,10R,11S,14R,15S,16R)-5-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2,5-dihydrofuran-2-one" . "2H,3H,4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-3-one" . "4-hydroxybutanoic acid" . "2-({2-[4-(2H-1,3-benzodioxol-5-yl)-2-tert-butylphenoxy]ethyl}(methyl)amino)acetic acid" . "2-(methylamino)acetic acid" . "2-[(4R)-4-[(1S,2S,5R,7R,10R,11S,14R,15R,16S)-5,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]acetic acid" . "2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid" . "2-[(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)methoxy]-3-hydroxypropyl (2S)-2-amino-3-methylbutanoate" . "3-{4-[3-(3,4,5-trimethoxybenzoyloxy)propyl]-1,4-diazepan-1-yl}propyl 3,4,5-trimethoxybenzoate" . "1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione" . "(2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanal" . "(2S,3R,4S)-2,3,4,5-tetrahydroxypentanal" . "(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal" . "(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal" . "(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid" . "(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal" . "4-[(1S,2S,5S,7R,10R,11S,14R,15S,16R)-5-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2,5-dihydrofuran-2-one" . "4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one" . "{[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy({[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy})phosphoryl]oxy})phosphinic acid" . "2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione" . "(5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-trione" . "3-{1-[6,7-diethoxy-2-(morpholin-4-yl)quinazolin-4-yl]piperidin-4-yl}-1,6-dimethyl-1,2,3,4-tetrahydroquinazoline-2,4-dione" . "(5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid" . "28-(2,3-dihydroxy-2-methylpropyl)-18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo[12.11.11.0^{3,11}.0^{4,9}.0^{16,20}]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone" . "3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H,4H,7H-pyrazolo[4,3-d]pyrimidin-7-one" . "(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one" . "formamide" . "(2,3-dihydroxypropoxy)phosphonic acid" . "[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acid" . "4-phenoxy-3-(pyrrolidin-1-yl)-5-sulfamoylbenzoic acid" . "5-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1H,4H,7H-pyrazolo[4,3-d]pyrimidin-7-one" . "(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidine-2-sulfonic acid" . "2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol" . "triethyl(2-hydroxyethyl)azanium" . "(2R,3R)-5-iodanyl-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol" . "2-[(4R)-4-[(1S,2S,5R,7S,9S,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]ethane-1-sulfonic acid" . "2-[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]ethane-1-sulfonic acid" . "[(1S,10R,11S,15S)-15-methyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-5-yl]oxidanesulfonic acid" . "[(1S,10R,11S,15S)-15-methyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-5-yl]oxidanesulfonic acid" . "(2S)-2-amino-3-methylbutan-1-ol" . "(2S)-2-amino-4-methylpentan-1-ol" . "(2S)-2-amino-3-phenylpropan-1-ol" . "(2S,3R,4R,5S,6R)-2-[4-chloro-3-({4-[(3S)-oxolan-3-yloxy]phenyl}methyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol" . "(2R,3R,4S,5R)-2-{4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-5-(hydroxymethyl)oxolane-3,4-diol" . "4-{[4,4-bis(4-fluorophenyl)butyl]amino}-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol" . "1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-hydroxyphenyl)propan-1-one" . "4-phenyl-1-(2-tritiooxycyclohexyl)piperidine" . "7-azido-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-8-iodanyl-1H-quinazoline-2,4-dione" . "9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-ol" . "(3R,4R)-1-[(3-iodophenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol" . "5-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]pentan-2-one" . "1-[(diaminomethylidene)amino]-N,N-dimethylmethanimidamide" . "(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate" . "(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one" . "(2R)-2-amino-3-sulfanylpropanoic acid" . "guanidine" . "5-amino-4-oxopentanoic acid" . "(2S,3R)-2-amino-3-hydroxybutanoic acid" . "[(3S)-3-amino-3-carboxypropyl]({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl})methylsulfanium" . "5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanoic acid" . "7H-purin-6-amine" . "5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione" . "(3S,4R)-3-[(2H-1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine" . "(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid" . "2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine" . "4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one" . "(2S)-2-amino-3-methylbutanoic acid" . "2-(3-benzoylphenyl)propanoic acid" . "(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" . "5-(4-chlorophenyl)-2H,3H,5H-imidazo[2,1-a]isoindol-5-ol" . "(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine" . "(2R,3S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol" . "5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine" . "5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione" . "(2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol" . "N-methyl-1-phenylpropan-2-amine" . "1-phenylpropan-2-amine" . "(8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H,4H,7H,8H-imidazo[4,5-d][1,3]diazepin-8-ol" . "(2R,3S,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol" . "2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin-1-yl)pyrimido[5,4-d][1,3]diazin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol" . "(2S)-2-[(S)-2-ethoxyphenoxy(phenyl)methyl]morpholine" . "2-oxopropanoic acid" . "2-[(4-aminophenyl)formamido]acetic acid" . "(2S,5R,6R)-6-(1-aminocyclohexaneamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" . "4-amino-N-[2-(diethylamino)ethyl]benzamide" . "(2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethylethyl)-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide" . "(2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinolin-2-ylformamido)butanediamide" . "(2S)-2-amino-4-(methylsulfanyl)butanoic acid" . "(2S)-2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid" . "(2S)-2-[(4-{[(2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid" . "(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid" . "2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropanoic acid" . "2-(3-phenoxyphenyl)propanoic acid" . "4-aminohex-5-enoic acid" . "5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid" . "methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyloxy)-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate" . "2-[(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate" . "1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione" . "4-[(1S,2R,3R,5S,7S,10R,11S,14R,15R,17R)-3,7,11,17-tetrahydroxy-2-(hydroxymethyl)-15-methyl-5-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2,5-dihydrofuran-2-one" . "4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one" . "{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid" . "4-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one" . "(6R,7R)-7-[(2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "(6R,7R)-7-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "(6R,7R)-7-[(2R)-2-amino-2-phenylacetamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-3H-purin-6-one" . "4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoic acid" . "6-methoxy-3-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-phenylethyl-(phenylmethyl)amino)methyl]-1H-quinolin-2-one" . "9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-one" . "6-chloro-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide" . "6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide" . "3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid" . "7-chloro-2-methyl-3-(2-methylphenyl)-4-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide" . "2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid" . "(2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol" . "(2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol" . "sodium 4-[2-[(1E,3E,5E,7Z)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-2-ylidene]hepta-1,3,5-trienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]butane-1-sulfonate" . "N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine" . "(2E)-2-cyano-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-enethioamide" . "(3S)-3-{[(1S)-4-carbamimidamido-1-{[(2S)-2-methylbutyl]carbamoyl}butyl]carbamoyl}-3-[(2S,3S)-2-[(2S)-5-ethanimidamido-2-{2-[4-(naphthalene-2-amido)phenyl]acetamido}pentanamido]-3-methylpentanamido]propanoic acid" . "3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine" . "4-(6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine" . "[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R,5R,6R)-4-decoxy-3-hydroxy-5-(3-oxotetradecanoylamino)-6-phosphonooxyoxan-2-yl]methoxy]-4-[(3R)-3-methoxydecoxy]-2-(methoxymethyl)-5-[[(Z)-octadec-11-enoyl]amino]oxan-3-yl] dihydrogen phosphate" . "N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine" . "N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine" . "(2R,3R,4S,5R)-2-(2-hex-1-ynyl-6-methylaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol" . "(3Z)-3-[(1-methyl-1H-indol-3-yl)methylidene]-1H,2H,3H-pyrrolo[3,2-b]pyridin-2-one hydrochloride" . "N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(2-{[(2-methanesulfonylethyl)amino]methyl}-1,3-thiazol-4-yl)quinazolin-4-amine dihydrochloride" . "sodium (2S,3S,4R,5R,6R)-3-{[(2S,3R,4R,5S,6R)-4-{[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid" . "{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid" . "{[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid" . "2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid" . "1-(2-methylpropyl)-1H-imidazo[4,5-c]quinolin-4-amine" . "2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-(prop-2-en-1-yl)-6,7,8,9-tetrahydro-3H-purine-6,8-dione" . "(3S)-3-{[(1R)-4-carbamimidamido-1-{[(1S,2S)-1-carbamoyl-2-methylbutyl]carbamoyl}butyl]carbamoyl}-3-[(2S,3S)-3-methyl-2-[(3R)-2-oxo-3-{2-[4-(quinoxaline-2-amido)phenyl]acetamido}pyrrolidin-1-yl]pentanamido]propanoic acid" . "(2R,6S)-2,6-diaminoheptanedioic acid" . "(4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoic acid" . "{[3,4-dihydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid; {[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid" . "7-nitro-1H-indazole" . "3-tert-butyl-1-(2-{[4-(diethylamino)butyl]amino}-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl)urea" . "3-(5-chloro-2-methoxyphenyl)-1-(2-methylquinolin-4-yl)urea" . "1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol" . "methyl (2S)-2-{2-[(3R)-1-methanehydrazonoylpiperidin-3-yl]acetamido}-3-[4-(2-phenylethynyl)phenyl]propanoate" . "(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one" . "(3Z)-N-(3-chlorophenyl)-3-({3,5-dimethyl-4-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-2-yl}methylidene)-N-methyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide" . "2-amino-2-methyl-3-phenylpropanoic acid" . "2-butyl-9-methyl-8-(triazol-2-yl)purin-6-amine" . "{[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid" . "{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}(3-azaniumylpropyl)methylsulfanium" . "{[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid" . "16,17-dimethoxy-21,21-dimethyl-1,3,10-triazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{14,19}]henicosa-2,4,6,8,10,12,14(19),15,17-nonaene" . "(2S)-2-amino-4-[(E)-2-hydroxycarbamimidamido]butanoic acid" . "[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)methyl]phosphonic acid" . "2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid" . "2-(3,4-dihydroxyphenyl)pentanamide" . "(4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihydroxy-hexahydro-1,3,5,2$l^{5}-furo[3,2-d][1,3,2$l^{5}]dioxaphosphinin-2-one" . "2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide" . "[(2R,3S,5R,6R)-2,3,5,6-tetrahydroxy-4-phosphonatooxycyclohexyl] phosphate" . "[(1R,2S,4R,5S)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl] dihydrogen phosphate" . "(1S,2R,10R,11S,14R,15S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one" . "(5Z,8Z,10E,12R,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoic acid" . "(E)-N'-{[3-(aminomethyl)phenyl]methyl}ethenimidamide" . "1-[(1S,2R,5S,10R,11S,14R,15S)-5,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-14-yl]ethan-1-one" . "(1S,2R,10R,11S,14R,15S)-14-acetyl-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one" . "(5Z,8Z,11Z,14Z,16E,18S)-18-hydroxyicosa-5,8,11,14,16-pentaenoic acid" . "(5S,6Z,8E,10E,12R,14Z,16E,18S)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoic acid" . "(2S)-2-amino-6-(dihydroxyboranyl)hexanoic acid" . "(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-methyloxolan-3-ol" . "(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol" . "9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-3H-purin-6-one" . "4-methylpyridin-2-amine" . "1,3-dihydroxypropan-2-yl (9Z)-octadec-9-enoate" . "3-bromo-7-nitro-2H-indazole" . "2-amino-3-(3-chloro-4-hydroxyphenyl)propanoic acid" . "(2R,3R,4S,5R)-2-{4-amino-1H-imidazo[4,5-c]pyridin-1-yl}-5-(hydroxymethyl)oxolane-3,4-diol" . "3-(hydrazinylmethyl)phenol" . "2-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid" . "{[(1R,2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(phosphonooxy)cyclohexyl]oxy}phosphonic acid" . "(5Z)-7-[(2R,3S)-3,5-dihydroxy-2-[(1E)-3-hydroxyoct-1-en-1-yl]cyclopentyl]hept-5-enoic acid" . "(1S,2R,3S,5R)-3-amino-5-{4-amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl}cyclopentane-1,2-diol" . "5-(3-bromophenyl)-7-[6-(morpholin-4-yl)pyridin-3-yl]pyrido[2,3-d]pyrimidin-4-amine" . "5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-4-carboxamide" . "[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[2-(hydroxyamino)ethyl]-methylsulfanium" . "1-aminoguanidine" . "2-(aminooxy)acetic acid" . "2-[3-(1-cyano-1-methylethyl)-5-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile" . "O-(3-aminopropyl)hydroxylamine" . "N-hydroxy-2-[N-(propan-2-yloxy)(4-phenylbenzene)sulfonamido]acetamide" . "5-chloro-2-(5-chlorothiophene-2-sulfonamido)-N-[4-(morpholine-4-sulfonyl)phenyl]benzamide" . "(6Z,9Z,12Z,15Z)-1,1,1-trifluorohenicosa-6,9,12,15-tetraen-2-one" . "2-[(3,4-dichlorophenyl)amino]-6-nitro-4-oxo-N-(prop-2-en-1-yl)-1,4-dihydroquinazoline-8-carboxamide" . "5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one" . "(2S)-2-[[N'-[(4S)-4-amino-5-hydroxy-5-oxopentyl]carbamimidoyl]amino]butanedioic acid" . "(2R,3S)-N-hydroxy-N'-[(1S)-1-(methylcarbamoyl)-2-phenylethyl]-2-(2-methylpropyl)-3-[(thiophen-2-ylsulfanyl)methyl]butanediamide" . "5-cyclopropyl-2-{1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl}pyrimidin-4-amine" . "2-[(3,4-dimethoxyphenyl)methyl]-7-[(2R,3R)-2-hydroxy-6-phenylhexan-3-yl]-5-methyl-1H-imidazo[5,1-f][1,2,4]triazin-4-one" . "(2R)-2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acid" . "(6E)-6-(bromomethylidene)-3-(naphthalen-1-yl)oxan-2-one" . "2-amino-3-hydroxy-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide" . "(2R)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido]-4-methylpentanoic acid" . "3-[2-[(Z)-[(5E)-3-(2-carboxyethyl)-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-2-ylidene]methyl]-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid" . "N,N,2-trimethyl-5-nitrobenzene-1-sulfonamide" . "(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid" . "(2R)-1-{3,10-dihydroxy-12-[(2R)-2-[(4-hydroxyphenoxycarbonyl)oxy]propyl]-2,6,7,11-tetramethoxy-4,9-dioxo-4,9-dihydroperylen-1-yl}propan-2-yl benzoate" . "5-[2-(1H-imidazol-1-yl)ethoxy]-2,3-dihydro-1H-indene-1-carboxylic acid" . "2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-diol" . "N-(aminoiminomethyl)-glycine" . "(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid" . "(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid" . "N-pentadecylcyclohexanecarboxamide" . "(2E)-3-phenylprop-2-en-1-yl (2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate" . "5,6-bis[(4-fluorophenyl)amino]-2,3-dihydro-1H-isoindole-1,3-dione" . "(2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-{[(1S)-2,2-dimethylcyclopropyl]formamido}hept-2-enoic acid" . "N-cyclohexyl-N-methyl-4-[(2-oxo-1,2-dihydroquinolin-6-yl)oxy]butanamide" . "4-{[(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)phenyl]methoxy}phenyl)ethyl]amino]methyl}benzoic acid" . "4-(3-{[4-(2-methyl-1H-imidazol-1-yl)phenyl]sulfanyl}phenyl)oxane-4-carboxamide" . "N-[4-(morpholin-4-yl)butyl]-1-benzofuran-2-carboxamide" . "(1S,2R,10S,11S,14R,15S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,17-dione" . "8-(4-chlorophenyl)sulfanyl-9-[(1R,6R,8R,9R)-3-hydroxy-9-methoxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]purin-6-amine" . "(2S)-2-amino-4-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanoic acid" . "4-[2-(1H-imidazol-1-yl)ethoxy]benzoic acid" . "N-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide" . "2,5-diamino-2-(difluoromethyl)pentanoic acid" . "(2R,3R,4S,5R)-2-(5,6-dichloro-1H-1,3-benzodiazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol" . "9-[(2R,3S)-2-hydroxynonan-3-yl]-9H-purin-6-aminium chloride" . "6,7-dihydroxy-2H-chromen-2-one" . "5-(1,4-diazepane-1-sulfonyl)isoquinoline" . "2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one" . "[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy})phosphinic acid" . "{[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy}phosphonic acid" . "2-amino-3-fluoro-2-(1H-imidazol-5-ylmethyl)propanoic acid" . "(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-dodecahydro-1H-naphtho[2,1-b]pyran-5-yl acetate" . "1-{[bis(4-methoxyphenyl)-1,3-thiazol-2-yl]carbonyl}-4-methylpiperazine hydrochloride" . "3-{1-[3-(dimethylamino)propyl]-5-methoxy-1H-indol-3-yl}-4-(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione" . "3-{1-[3-(dimethylamino)propyl]-1H-indol-3-yl}-4-(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione" . "propane-1,2,3-triol" . "4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-piperidin-3-ylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol" . "(2S)-2-amino-4-sulfanylbutanoic acid" . "{[(1S,2R,3S,4S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphonic acid" . "N-phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide" . "N-{2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl}naphthalene-2-carboxamide" . "4-nitrophenyl 4-[bis(2H-1,3-benzodioxol-5-yl)(hydroxy)methyl]piperidine-1-carboxylate" . "[1-(4-hydroxyphenoxy)-1-phosphonoethyl]phosphonic acid" . "4-[(4-cyanophenyl)(1H-1,2,4-triazol-1-yl)methyl]benzonitrile" . "5-[(3-chlorophenyl)(1H-imidazol-1-yl)methyl]-1H-1,3-benzodiazole" . "methyl (2S)-2-amino-5-(1-nitrocarbamimidamido)pentanoate" . "4-[(2S,3S)-3-[(1E,3E,5Z,8Z)-tetradeca-1,3,5,8-tetraen-1-yl]oxiran-2-yl]butanoic acid" . "2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one" . "(5S,6E,8Z,10E,12E,14R,15S)-5,14,15-trihydroxyicosa-6,8,10,12-tetraenoic acid" . "N-[2-(4-{benzyl[2-(hydroxycarbamoyl)-4,6-dimethylphenyl]sulfamoyl}phenoxy)ethyl]-1-benzofuran-2-carboxamide" . "(2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid" . "(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl methyl fluorophosphonate" . "3-[(2-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-3-oxopropanoic acid" . "(2S,3R)-N-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N',2-dihydroxy-3-(2-methylpropyl)butanediamide" . "N-(2-hydroxyethyl)tetradecanamide" . "methyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate" . "3-[(2-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-2-methyl-3-oxopropanoic acid" . "2-methyl-1,2-bis(pyridin-3-yl)propan-1-one" . "4-(4-carbamoylphenyl)phenyl N-methyl-N-{[3-(pyridin-4-yl)phenyl]methyl}carbamate" . "6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridine-3-carbonitrile" . "2-amino-5-{[amino(hydroxyamino)methylidene]amino}pentanoic acid" . "(4aR,6R,7R,7aS)-6-[6-(benzylamino)-9H-purin-9-yl]-2,7-dihydroxy-hexahydro-1,3,5,2$l^{5}-furo[3,2-d][1,3,2$l^{5}]dioxaphosphinin-2-one" . "(2S)-2-amino-5-(1,1-dimethylcarbamimidamido)pentanoic acid" . "(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid" . "(2R)-2-amino-6-ethanimidamidohexanoic acid" . "[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 4-methylpentanoate" . "2-amino-7-(furan-2-yl)-5,6,7,8-tetrahydroquinazolin-5-one" . "1H-[1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one" . "7-phenyl-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one" . "2-oxobutanedioic acid" . "2-(4-benzylpiperazin-1-yl)-N'-[(1Z)-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene]acetohydrazide" . "(1R,4r)-4-[(1R)-1-aminoethyl]-N-(pyridin-4-yl)cyclohexane-1-carboxamide" . "N-(4-hydroxyphenyl)acetamide" . "2-amino-3-(4-chlorophenyl)propanoic acid" . "2-(2-amino-3-methoxyphenyl)chromen-4-one" . "1,1,1-trichloro-3-(pyridin-4-yl)propan-2-ol" . "N-(pyridin-3-yl)-4-[(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)methyl]piperidine-1-carboxamide" . "N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide" . "(5Z)-7-[(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroperoxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid" . "[(2-{3-[2-(carbamimidoylsulfanyl)ethyl]phenyl}ethyl)sulfanyl]methanimidamide" . "2-[(prop-2-yn-1-yl)amino]acetic acid" . "{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-[(2-{[2-(propanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid" . "[(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy]phosphonic acid" . "cyclohexylideneamino N-[6-({[(cyclohexylideneamino)oxy]carbonyl}amino)hexyl]carbamate" . "[5-(1-benzyl-1H-indazol-3-yl)furan-2-yl]methanol" . "4-(3-chlorophenyl)-1,7-diethyl-1H,2H-pyrido[2,3-d]pyrimidin-2-one" . "2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)octanoic acid" . "methyl N-(4,6-diamino-2-{1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl}pyrimidin-5-yl)-N-methylcarbamate" . "4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one" . "3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propylsulfanylmethanimidamide" . "4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one" . "9-[(4aR,7S)-2,7-dihydroxy-2-sulfanyl-hexahydro-1,3,5,2$l^{5}-furo[3,2-d][1,3,2$l^{5}]dioxaphosphinin-6-yl]-2-amino-8-[(4-chlorophenyl)sulfanyl]-6,9-dihydro-1H-purin-6-one" . "(2R)-2-amino-3-{[2-(dihydroxyboranyl)ethyl]sulfanyl}propanoic acid" . "(2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}sulfanyl)butanoic acid" . "(2S)-2-aminopent-4-enoic acid" . "(1E)-1-{[(diaminomethylidene)amino]imino}-2,3-dihydro-1H-indene-4-carboximidamide" . "4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-1H-imidazol-5-yl]pyridine" . "(11R,15S)-8-methyl-4-{[4-(trifluoromethyl)phenyl]methyl}-1,3,5,8,10-pentaazatetracyclo[7.6.0.0^{2,6}.0^{11,15}]pentadeca-2(6),3,9-trien-7-one" . "(2S)-2-amino-5-[(E)-2,3-dimethylcarbamimidamido]pentanoic acid" . "sodium 1-[(4-chlorobenzene)sulfonyl]-3-(4-cyano-3-methyl-1-phenyl-1H-pyrazol-5-yl)urea" . "11-oxo-3,10-diazapentacyclo[10.7.1.0^{2,10}.0^{4,9}.0^{16,20}]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaene-17-carboxylic acid" . "methyl 2-[(2-methylpyridin-4-yl)methyl]-1-oxo-8-(pyrimidin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydro-2,7-naphthyridine-3-carboxylate" . "(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-3,4,5,6,7,8-hexahydropteridin-4-one" . "(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl (2S)-2-formamido-4-methylpentanoate" . "2-[(2S)-2-benzyl-3-sulfanylpropanamido]acetic acid" . "tin(4+) ion 10,14-bis(2-carboxyethyl)-4,19-diethenyl-5,9,15,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaene-21,22,23,24-tetraide" . "5-(tetradecyloxy)furan-2-carboxylic acid" . "2-phenylcyclopropan-1-amine" . "(2Z,3Z)-bis({amino[(2-aminophenyl)sulfanyl]methylidene})butanedinitrile" . "1-(6-{[(1S,10R,11S,14S,15S)-5-methoxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-14-yl]amino}hexyl)-2,5-dihydro-1H-pyrrole-2,5-dione" . "ethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.0^{2,7}.0^{8,18}.0^{15,19}]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate" . "1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea" . "methyl (3S)-5-fluoro-3-[[(2S)-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-oxopentanoate" . "4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one" . "(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "(1R,2R,3R,4S,6S)-3-aminotricyclo[2.2.1.0^{2,6}]heptane-1,3-dicarboxylic acid" . "(3aR,4S,6aR)-3-hydroxy-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazole-4-carboxylic acid" . "2-amino-3-sulfopropanoate" . "1-ethylpyrrole-2,5-dione" . "5-ethyl-5-phenyl-1,3-diazinane-4,6-dione" . "benzo[b][1]benzazepine-11-carboxamide" . "(1S,4R,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one" . "methyl (1S,15R,18S,19S,20S)-18-hydroxy-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate" . "2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one" . "(1R,9S)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one" . "(1S,2S,4R)-2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane" . "(2R)-3-[(2S,5R,6R,8S)-8-[(2R,3E)-4-[(2R,4'aR,5R,6'S,8'R,8'aS)-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-7'-methylidene-hexahydro-3'H-spiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl]-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid" . "(2R,3S,9R)-5-acetyl-4-hydroxy-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.0^{2,9}.0^{3,7}.0^{15,18}]octadeca-1(17),4,11(18),12,14-pentaen-6-one" . "(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2H,3H,3aH,4H,5H,6H,6aH,7H,8H,9bH-azuleno[4,5-b]furan-7-yl octanoate" . "[(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate" . "(3-aminopropyl)(hydroxy)oxo-$l^{5}-phosphanylium" . "(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid" . "(2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine" . "2-{4-[(furan-2-yl)carbonyl]piperazin-1-yl}-6,7-dimethoxyquinazolin-4-amine" . "5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine" . "4-[3-(tert-butylamino)-2-hydroxypropoxy]-2,3-dihydro-1H-1,3-benzodiazol-2-one" . "[2-hydroxy-3-(2-propylphenoxy)propyl](propan-2-yl)amine" . "11-amino-N-cyclohexyl-N,3-dimethyl-5-thia-2,7-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,6,8,10-pentaene-4-carboxamide" . "3-(methoxymethyl)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine" . "{2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propoxy}phosphonic acid" . "3-[(2S)-azetidin-2-ylmethoxy]pyridine" . "2-(3-methyl-3H-diazirin-3-yl)ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate" . "({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)methyl](hydroxy)phosphoryl}oxy)phosphonic acid" . "[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] dioxidophosphinothioyl phosphate" . "5-{[(3-phenoxyphenyl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid" . "(Z)-2-cyano-3-[(1S)-1-[(4-3H)phenyl]ethyl]-1-(quinolin-5-yl)guanidine" . "methyl (1S,3S,4S,5R)-3-(4-iodanylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate" . "4-aminobutanoic acid" . "(2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol" . "7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]heptanoic acid" . "(2R)-2-amino-3-{[(2R)-2-amino-2-carboxyethyl]disulfanyl}propanoic acid" . "6,14-dimethyl-4,12-diazapentacyclo[8.6.1.1^{2,5}.0^{13,17}.0^{9,18}]octadeca-1(17),2,5,9(18),10,13-hexaene-7,8,15,16-tetrone" . "[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydroxyphosphinothioyl hydrogen phosphate" . "(4Z,7R,8E,10Z,12E,14E,17S,19Z)-7,16,17-trihydroxydocosa-4,8,10,12,14,19-hexaenoic acid" . "4-amino-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol" . "4-(methylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol" . "3-[(3-hydroxy-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)amino]propyl acetate" . "4-(heptyloxy)phenol" . "ethyl 2-[(2-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]propanoate" . "ethyl 2-(3,5-dihydroxy-2-octanoylphenyl)acetate" . "(3R,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one" . "oxolan-2-one" . "N-(4-{5-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl}butyl)-4-(1,8-naphthyridin-2-yl)butanamide" . "2-[(1Z)-5-fluoro-1-[(4-methanesulfinylphenyl)methylidene]-2-methyl-1H-inden-3-yl]acetic acid" . "(9Z,11E)-13-hydroxyoctadeca-9,11-dienoic acid" . "(2-{[(2R)-2-[(8-carboxyoctanoyl)oxy]-3-(hexadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium" . "(2-{[(2R)-2-[(8-carboxyoctanoyl)oxy]-3-(hexadecyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium" . "6-[3-(adamantan-1-yl)-4-methoxyphenyl]naphthalene-2-carboxylic acid" . "2-(4-hydroxyphenyl)-3-({4-[4-(propan-2-yl)piperazin-1-yl]phenyl}carbonyl)-1-benzothiophen-6-ol" . "2,3-dihydro-1$l^{6},2-benzothiazole-1,1,3-trione" . "4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione" . "3-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-2$l^{6}-thia-3-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4(12),5,7,9-pentaene-2,2-dione" . "N-{1-[3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl}-2-phenylacetamide" . "4-benzyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid" . "2-{1-[(5-bromo-2-fluorophenyl)methyl]-1H-indole-3-sulfonyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide" . "N-[(1R,2R)-6-[1-[(4-fluorophenyl)methyl-methylamino]ethylideneamino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-phenylbenzamide" . "6-(prop-2-en-1-yl)-4H,5H,6H,7H,8H-[1,3]thiazolo[4,5-d]azepin-2-amine" . "(2R)-2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl]amino}propanoic acid" . "2-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide" . "(8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-8,11,14-trienamide" . "(7Z,10Z,13Z,16Z)-N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide" . "4-N,6-N-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine" . "(2R)-2-amino-3-sulfinopropanoic acid" . "(2S)-2-amino-3-(4-hexyl-3-oxo-2,3-dihydro-1,2-oxazol-5-yl)propanoic acid" . "2-amino-3-(4-methyl-3-oxo-2,3-dihydro-1,2-oxazol-5-yl)propanoic acid" . "ammonium (9Z)-N-[(2R)-1-(hydrogen phosphonatooxy)-3-[4-(pyridin-2-ylmethoxy)phenyl]propan-2-yl]octadec-9-enamide" . "N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide" . "{[bis({[(2R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphoryl]oxy}[({[(phosphonatooxy)phosphinato]oxy}phosphinato)oxy]phosphinate" . "{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphinic acid" . "(5Z)-7-[(1R,2R,3R,5S)-5-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3-methylcyclopentyl]-N-(2-hydroxyethyl)hept-5-enamide" . "N-(3-ethoxyphenyl)-4-(pyrrolidin-1-yl)-3-(trifluoromethyl)benzamide" . "6-(dimethylamino)-4,4-diphenylheptan-3-one" . "(1R,12S)-5,8,14-triazatetracyclo[10.3.1.0^{2,11}.0^{4,9}]hexadeca-2(11),3,5,7,9-pentaene" . "ethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate" . "2,6-bis(propan-2-yl)phenol" . "2-hydroxy-N'-[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]benzohydrazide" . "1-[(Z)-2-chloro-2-(2,4-dichlorophenyl)ethenyl]-1H-1,2,4-triazole" . "ethyl 4-(butylamino)-1-ethyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate" . "6-chloro-N-ethyl-4-methyl-4-phenyl-2,4-dihydro-1H-3,1-benzoxazin-2-imine" . "(1E)-1-(2H-1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-ol" . "(2E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enamide" . "4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol" . "2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide" . "3-(carbamoyloxy)-2-phenylpropyl carbamate" . "4-[2-(4-azidophenyl)acetamido]-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid" . "7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile" . "piperidine" . "1-[(1S,2S,4S,5S,7S,10S,11S,14S,15S,17R)-17-(dimethylamino)-4-ethoxy-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]ethan-1-one" . "5-ethyl-5-(pentan-2-yl)-1,3-diazinane-2,4,6-trione" . "methylbenzene" . "1,1,1-trichloroethane" . "2-[1-(aminomethyl)cyclohexyl]acetic acid" . "phosphonoformic acid" . "[1-[(Z)-octadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl] (Z)-octadec-9-enoate" . "(3S)-3-(aminomethyl)-5-methylhexanoic acid" . "(4aR,6R,7R,7aR)-6-(6-butanamido-9H-purin-9-yl)-2-hydroxy-2-oxo-hexahydro-1,3,5,2$l^{5}-furo[3,2-d][1,3,2$l^{5}]dioxaphosphinin-7-yl butanoate" . "2,6-di-tert-butylbenzene-1,4-diol" . "2-[(R)-{[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methane}sulfinyl]-1H-1,3-benzodiazole" . "6-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole" . "2-[(2R)-1-{2-[tris(4-methoxyphenyl)methoxy]ethyl}pyrrolidin-2-yl]acetic acid" . "N,N-dimethyl-2-[[(1R,4R,6S)-1,7,7-trimethyl-6-phenyl-6-bicyclo[2.2.1]heptanyl]oxy]ethanamine" . "2-(2-amino-4,5-dihydro-1H-imidazol-1-yl)acetic acid" . "2-(diaminomethylideneazaniumyl)ethanesulfonate" . "2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yl]amino}acetic acid" . "4-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenamido]butanoic acid" . "2-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)butanamide" . "N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide" . "4-(2-bromoethyl)-2-(4-{4-[4-(2-bromoethyl)-2-hydroxymorpholin-2-yl]phenyl}phenyl)morpholin-2-ol" . "N-[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine" . "(3S)-5,7-ditert-butyl-3-hydroxy-3-(trifluoromethyl)-1-benzofuran-2-one" . "[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate" . "3-METHYLBUTAN-1-AMINE" . "Cyclohexanamine" . "(5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acid" . "2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole" . "2-phenylpropan-1-amine" . "4-amino-N'-(furan-2-ylmethyl)-N'-[1-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide" . "2-[[2-(benzotriazol-1-yl)acetyl]-(4-methoxyphenyl)amino]-2-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide" . "N,N-dimethylmethanamine" . "1-Methylpiperidine" . "N,N-Dimethylethanamine" . "5-methyl-4-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3-diol" . "4-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl]-5-pentylbenzene-1,3-diol" . "2-[4-methoxy-3,5-bis[[2-methoxy-5-(2-methylaminoethyl)phenyl]methyl]phenyl]-N-methylethanamine" . "Decanoic acid" . "Undecanoic acid" . "Dodecanoic acid" . "methyl (4Z,7S,8R,9E,11E,13Z,15E,17S,19Z)-7,8,17-trihydroxydocosa-4,9,11,13,15,19-hexaenoate" . "(2-methyl-1-propylindol-3-yl)-naphthalen-1-ylmethanone" . "N'-(7-chloroquinolin-4-yl)-N,N-diethylpentane-1,4-diamine" . "2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid" . "2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]propane-1,3-diol" . "(Z)-Hexadec-9-enoic acid" . "(2R,3R,4S,5R,6R)-2-[(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol" . "3,4,5-Trihydroxybenzoic acid" . "1,8,9-trihydroxy-3-methoxy-[1]benzoxolo[3,2-c]chromen-6-one" . "(Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]octadec-9-enamide" . "2-aminoethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate" . "5-[4-[4-[3-[[3',6'-bis(dimethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl]amino]propyl]phenyl]phenyl]-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide" . "[4-(4-amino-2-fluorophenyl)piperazin-1-yl]-[2-(4-fluorophenyl)-5-methylsulfonylphenyl]methanone" . "[4-[2-fluoro-4-(1-methoxyethyl)phenyl]piperazin-1-yl]-[2-(4-fluorophenyl)-5-methylsulfonylphenyl]methanone" . "3-(2-methoxyphenyl)-N-[[4-(methyl-phenylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide" . "N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(8-methoxy-4-methyl-[1,2,4]triazolo[4,5-a]quinolin-1-yl)sulfanyl]acetamide" . "3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide" . "(9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid" . "(2R,4R,4aR,6S,8aS)-6-(hydroxymethyl)-4-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol" . "2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol" . "4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]benzene-1,2-diol" . "[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfate" . "3-ethyl-1-[3-[4-[(5-formyl-4-methoxy-2-phenylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylurea" . "6-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]quinoxaline" . "(2S,3S,4R,5R)-3-amino-5-[6-[[5-chloro-2-[(3-methyl-1,2-oxazol-5-yl)oxymethyl]phenyl]methylamino]purin-9-yl]-4-hydroxy-N-methyloxolane-2-carboxamide" . "1-(3-azabicyclo[2.2.2]octan-3-yl)-2-[2-(3,5-dimethylphenyl)-3-[(2S)-1-(2-pyridin-4-ylethylamino)propan-2-yl]-1H-indol-5-yl]-2-methylpropan-1-one" . "1-[4-[1-[(2,6-difluorophenyl)methyl]-5-(dimethylaminomethyl)-3-(6-methoxypyridazin-3-yl)-2,4-dioxothieno[4,5-e]pyrimidin-6-yl]phenyl]-3-methoxyurea" . "4-(4-{2-[phenyl(pyridin-2-yl)amino]ethoxy}phenyl)butanoic acid" . "2,4-dihydroxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid" . "2-hydroxy-4-methoxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid" . "(1E)-1-[[6-(cyclopentylamino)-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]hydrazinylidene]-3-phenylurea" . "(2R,3R,4R,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol" . "(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(3R)-oxolan-3-yl]amino]purin-9-yl]oxolane-3,4-diol" . "(2S,3S,4R,5R)-2-[(2-fluorophenyl)sulfanylmethyl]-5-[6-[[(1R,2R)-2-hydroxycyclopentyl]amino]purin-9-yl]oxolane-3,4-diol" . "methyl 4-[3-[6-amino-9-[(2R,3R,4S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]prop-2-ynyl]piperidine-1-carboxylate" . "(2R,3R,4S,5R)-2-[6-amino-2-((2E)-2-(cyclohexylmethylidene)hydrazinyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol" . "1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-methylpyrazole-4-carboxamide" . "(2S,3S,4R,5R)-3,4-dihydroxy-N-methyl-5-[6-(methylamino)-2-(2-phenylethynyl)purin-9-yl]oxolane-2-carboxamide" . "(1S,2R,3S,4R,5S)-4-[2-chloro-6-[(3-chlorophenyl)methylamino]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide" . "8-cyclopentyl-3-(3-fluoranylpropyl)-1-propyl-7H-purine-2,6-dione" . "3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-bicyclo[2.2.2]octanyl]propanoic acid" . "(E)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one" . "2-cyclohexyl-5,7-di(phenyl)-1H-imidazo[4,5-b]pyridine" . "8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione" . "8-[2-(3-chlorophenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione" . "3-(3-hydroxypropyl)-8-[(E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-1-prop-2-ynylpurine-2,6-dione" . "4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxamide" . "3-[(4-amino-3-methylphenyl)methyl]-7-furan-2-yltriazolo[5,4-d]pyrimidin-5-amine" . "3-ethyl-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-7H-purine-2,6-dione" . "N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)pyridin-2-yl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide" . "4-furan-2-yl-N-pyridin-3-yl-5-pyrimidin-4-ylpyrimidin-2-amine" . "2-(4-bromophenyl)-4-propyl-7,8-dihydro-1H-imidazo[2,1-f]purin-5-one" . "(8R)-8-ethyl-4-methyl-2-(2,3,5-trichlorophenyl)-7,8-dihydro-1H-imidazo[2,1-f]purin-5-one" . "(8R)-8-ethyl-4-methyl-2-phenyl-7,8-dihydro-1H-imidazo[2,1-f]purin-5-one" . "9-[[[(2E)-3,7-dimethylocta-2,6-dienoxy]-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,5-dihydroxy-3-methylnonanoic acid" . "[(2S)-3-hexadecanoyloxy-2-hydroxypropyl] 2-trimethylazaniumylethyl phosphate" . "[(2R)-2-hydroxy-3-octadecanoyloxypropyl] 2-trimethylazaniumylethyl phosphate" . "[(2R)-3-acetyloxy-2-hydroxypropyl] 2-aminoethyl phosphate" . "N-(2-fluoro-4-methylsulfonylphenyl)-5-nitro-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine" . "5-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}-3-methyl-1H-indazole" . "N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide" . "1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea" . "4-[4-(piperidin-4-yl)phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid" . "(2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)butanamide" . "3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-{10-[2-(morpholin-4-yl)ethoxy]-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,5,8,10-pentaen-4-yl}phenyl)urea" . "N-methyl-2-({3-[(E)-2-(pyridin-2-yl)ethenyl]-1H-indazol-6-yl}sulfanyl)benzamide" . "N-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-2-[(pyridin-4-ylmethyl)amino]pyridine-3-carboxamide" . "3-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-1-(4-{[6-(methylamino)pyrimidin-4-yl]oxy}phenyl)urea" . "4-[(2,6-dichlorobenzene)amido]-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide" . "2-{5-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}quinazolin-4-yl)amino]-1H-pyrazol-3-yl}-N-(3-fluorophenyl)acetamide" . "4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline" . "5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-1,3-benzodiazole-6-carboxamide" . "4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide" . "methyl (2R)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate" . "tert-butyl N-[(2S)-1-[[(2R)-2-(8-hydroxyoctylamino)-2-methyl-3-phenylpropanoyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate" . "[(1S)-2-methyl-1-phenylpropyl] N-[(2S)-1-[7-(carbamoylamino)heptylamino]-3-(2,3-difluorophenyl)-2-methyl-1-oxopropan-2-yl]carbamate" . "(1S,2R)-2-[(aminooxy)methyl]-N-(3,4-dichlorophenyl)cyclohexane-1-carboxamide" . "(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-oxolan-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide" . "3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea" . "N-(2-aminoethyl)-1,8-dimethylimidazo[1,2-a]quinoxalin-4-amine" . "N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide" . "2-[(2-chloro-4-iodophenyl)amino]-N-(cyclopropylmethoxy)-3,4-difluorobenzamide" . "(2R)-1-({4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl}oxy)propan-2-ol" . "(15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1(26),2(6),7(27),8,10,12,20,22,24-nonaen-3-one" . "1-methyl-5-({2-[4-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl}oxy)-N-[4-(trifluoromethyl)phenyl]-1H-1,3-benzodiazol-2-amine" . "N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[3-(morpholin-4-yl)propoxy]quinazolin-6-yl}prop-2-enamide" . "N-[(2S)-3,3-dimethylbutan-2-yl]-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxamide" . "2-[5-[3-[di(phenyl)methylamino]-3-oxopropyl]naphthalen-1-yl]oxyacetic acid" . "3-[(3R,4R)-4-methyl-3-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]piperidin-1-yl]-3-oxopropanenitrile" . "N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide" . "1-N'-[3-fluoro-4-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinolin-4-yl}oxy)phenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide" . "2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4H-chromen-4-one" . "4-[(4-chlorophenyl)amino]-2-[4-[(2E)-2-hydroxyiminopropanoyl]piperazin-1-yl]-6-propan-2-yl-5H-pyrrolo[4,3-e]pyrimidin-7-one" . "2-[2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]quinolin-3-yl]oxyacetic acid" . "3-amino-N-[(S)-cyclopropyl(phenyl)methyl]-2-(3-fluorophenyl)quinoline-4-carboxamide" . "2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethan-1-ol" . "4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine" . "2-{[2-({1-[2-(dimethylamino)acetyl]-5-methoxy-2,3-dihydro-1H-indol-6-yl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluoro-N-methylbenzamide" . "5-{6-[(4-methylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-1-yl}-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide" . "5-({3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl}methyl)pyrimidine-2,4-diamine" . "3-[(E)-2-{4-[(piperazin-1-yl)carbonyl]phenyl}ethenyl]-2H-indazole" . "(2E)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide" . "N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide" . "(3R)-3-cyclopentyl-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)propanenitrile" . "4-cyano-N-[2-(cyclohex-1-en-1-yl)-4-{1-[2-(dimethylamino)acetyl]piperidin-4-yl}phenyl]-1H-imidazole-2-carboxamide" . "1-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-2-methoxyphenyl}-3-[1-(1,3-thiazol-2-yl)ethyl]urea" . "(4S)-4-[(N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine" . "N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine" . "3-(1-methyl-1H-indol-3-yl)-4-{1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-indol-3-yl}-2,5-dihydro-1H-pyrrole-2,5-dione" . "N-{6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl}-2-methylpyridine-3-carboxamide" . "4-{6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinolin-4-yl}-N-[4-(propan-2-yloxy)phenyl]piperazine-1-carboxamide" . "4-{[13-chloro-10-(2,6-difluorophenyl)-3,5,9-triazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,9,11,13-heptaen-4-yl]amino}benzoic acid" . "4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide" . "5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)-2-methylbenzene-1-sulfonamide" . "6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfanyl)phenyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one" . "(3Z)-5-{[(2,6-dichlorophenyl)methane]sulfonyl}-3-[(3,5-dimethyl-4-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-1H-pyrrol-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one" . "3-[6-(morpholin-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-4-yl]phenol" . "N-[(S)-cyclopropyl(phenyl)methyl]-3-[[methyl(methylsulfonyl)amino]methyl]-2-phenylquinoline-4-carboxamide" . "(2R)-2-amino-3-phenylpropanoic acid" . "N-[(2S,3R,4R,6R)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8,10,12,14(28),15(19),20(27),21,23,25-nonaen-4-yl]-N-methylbenzamide" . "N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide" . "2-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol" . "N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine" . "5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-N-[(2S)-2-hydroxy-3-(morpholin-4-yl)propyl]-2,4-dimethyl-3H-pyrrole-3-carboxamide" . "6-[[5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[2,3-e][1,4]oxazin-3-one" . "5-[(2,3-difluoro-6-methoxyphenyl)carbonyl]-2-N-(1-methanesulfonylpiperidin-4-yl)pyrimidine-2,4-diamine" . "6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[5,4-f]pyridazin-3-yl]sulfanyl]quinoline" . "4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile" . "4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide" . "N-[2-(diethylamino)ethyl]-5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxamide" . "5-chloro-2-N-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}-4-N-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine" . "3-[2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl]phenol" . "N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzene-1-sulfonamide" . "6-amino-2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-methyl-3,4-dihydropyrimidin-4-one" . "7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide" . "2-Hydroxyoctanoic acid" . "(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid" . "N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine" . "N-[4-({4-[(3-methyl-1H-pyrazol-5-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl}sulfanyl)phenyl]cyclopropanecarboxamide" . "5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpyridazino[6,1-f]pyrimidin-6-one" . "(9E)-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]octadec-9-enamide" . "(Z)-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]octadec-9-enamide" . "2-(4-bromophenyl)-6-methyl-N-[2-(1-oxidopyridin-1-ium-3-yl)ethyl]pyrimidin-4-amine" . "4-[1-(2-cyclobutyl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)piperidin-4-yl]butanoic acid" . "(1-methylcyclopropyl) 4-[(1S)-1-fluoro-2-[[2-(2,3,6-trifluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxylate" . "propan-2-yl 4-[5-methoxy-6-[(2-methyl-6-methylsulfonylpyridin-3-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate" . "8-{4-[4-(4-chlorophenyl)piperazine-1-sulfonyl]phenyl}-1-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione" . "8-ethyl-4-methyl-2-phenyl-1H,4H,5H,7H,8H-imidazo[2,1-f]purin-5-one" . "2-[4-({7-benzyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)piperidin-1-yl]pyridine" . "1'-pentylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one" . "5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-carboxamide" . "4-[({2-[(2S)-2-methyl-4-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]piperazin-1-yl]pyrimidin-5-yl}oxy)methyl]pyridine-3-carbonitrile" . "(2R,3R,4S,5R)-2-(2-hex-1-ynyl-6-methylaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol" . "tert-butyl 4-[1-(4-methylsulfonylphenyl)pyrazolo[4,5-e]pyrimidin-4-yl]oxypiperidine-1-carboxylate" . "tert-butyl 4-{[1-(2-fluoro-4-methanesulfonylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}piperidine-1-carboxylate" . "tert-butyl 4-{[1-(2-fluoro-4-methanesulfonylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}piperidine-1-carboxylate" . "tert-butyl 4-{[9-(2-fluoro-4-methanesulfonylphenyl)-8-oxo-8,9-dihydro-7H-purin-6-yl]oxy}piperidine-1-carboxylate" . "tert-butyl 4-[[3-(4-methylsulfonylphenyl)-[1,2]oxazolo[5,4-e]pyrimidin-7-yl]oxy]piperidine-1-carboxylate" . "2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide" . "propan-2-yl 4-[3-cyano-5-(quinoxalin-6-yl)pyridin-2-yl]piperazine-1-carboxylate" . "5-(4-cyano-3-methylphenyl)-2-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pyridine-3-carbonitrile" . "tert-butyl 4-[1-(pyridin-3-yl)piperidin-4-yl]piperidine-1-carboxylate" . "3-fluoro-4-[4-methoxy-3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]phenyl]benzonitrile" . "2-ethynyl-4-methyl-6-{4-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]piperidin-1-yl}pyrimidine" . "5-chloro-2-{4-[(1R,2S)-2-{2-[(5-methanesulfonylpyridin-2-yl)oxy]ethyl}cyclopropyl]piperidin-1-yl}pyrimidine" . "(2R)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid" . "3-[bis(thiophen-3-ylmethyl)amino]-1H-pyrazole-5-carboxylic acid" . "(5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one" . "tert-butyl (1S,5S)-3-({5-methyl-6-[(2-methylpyridin-3-yl)oxy]pyrimidin-4-yl}oxy)-8-azabicyclo[3.2.1]octane-8-carboxylate" . "(7S,8S)-7-[di(phenyl)methyl]-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1-azabicyclo[2.2.2]octan-8-amine" . "(2S,3S)-N-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine" . "2-[4-[(2R,4S)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-(phenylmethyl)piperidin-4-yl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide" . "3-chloro-4-[(6-{[(1S,5S)-8-(cyclopropanesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}-5-methylpyrimidin-4-yl)amino]benzonitrile" . "2,3-dihydroxypropyl (Z)-octadec-9-enoate" . "(2S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide" . "(2R,4S)-4-(4-acetylpiperazin-1-yl)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide" . "2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-morpholin-4-ylpyridin-3-yl]propanamide" . "3-nitro-4-propylaminobenzoic acid" . "3-methanesulfonamido-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide" . "N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]butyl]-N-methylbenzamide" . "N-methyl-N-[1-(phenylmethyl)piperidin-4-yl]-3-propan-2-yloxypyridin-2-amine" . "3,5-Dihydroxybenzoic acid" . "3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole" . "4-methoxy-4-oxobut-2-enoic acid" . "(E)-3-(4-hydroxyphenyl)prop-2-enoic acid" . "2-[[3-[3-(5-hydroxy-1,2-dihydropyridin-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropanoyl]amino]cyclohexene-1-carboxylic acid" . "(4R)-2-[[(2S)-2-amino-3-[3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]-4-methylcyclohexene-1-carboxylic acid" . "2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid" . "2-[[4-(6-oxo-4H-quinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoic acid" . "5-(2-methylpyrazol-3-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid" . "3-(3,4-dichlorocyclohexyl)-7-methyl-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide" . "1-[2-[2-(2-chlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea" . "1-(4-cyclohexylphenyl)-3-[2-[2-(2-ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]urea" . "[(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,5-dichlorophenyl)methanone" . "1-(4-pentylphenyl)-3-[2-(2-propan-2-ylphenyl)-1-benzofuran-7-yl]urea" . "1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea" . "1-(3,4-dichlorophenyl)-3-[4-[[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-dimethylidene-$l^{6}-sulfanyl]phenyl]urea" . "N-[(4-fluorophenyl)methyl]-3-oxo-1,1-di(phenyl)-5,6,8,8a-tetrahydro-[1,3]oxazolo[4,3-c]pyrazine-7-carboxamide" . "3-[5-(4-chlorophenyl)-6-methoxyimidazo[1,2-b]isoindol-5-yl]-N,N-diethylpropanamide" . "N-(3-methyl-1-morpholin-4-ylpentan-3-yl)-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide" . "2-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetic acid" . "1-(4-fluorobenzoyl)-3-[(6-methoxynaphthalen-2-yl)oxymethyl]azetidine-3-carboxylic acid" . "(E)-N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide" . "ethyl 2-(furan-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiophene-3-carboxylate" . "2-[[(2R,3R,3aS,9aS)-2-hydroxy-3-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-8-yl]oxy]acetic acid" . "(E)-3-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-N-(4,5-dichlorothiophen-2-yl)sulfonylprop-2-enamide" . "3-[2-[1-[[(1R)-1-(3,5-dimethylphenyl)-3-methylbutyl]amino]ethenyl]-4-[(2-methylphenoxy)methyl]phenyl]propanoic acid" . "2-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzoic acid" . "3,5-dichloro-N-(2-chloro-5-methylphenyl)-2-hydroxybenzamide" . "1,2-di(phenyl)-4-(2-phenylsulfinylethyl)pyrazolidine-3,5-dione" . "3-methyl-2-[(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid" . "[6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] acetate" . "N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide" . "N-[2-(2,6-dimethylanilino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2-hydroxybenzamide" . "3-(4-chlorophenyl)-1-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea" . "2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methylsulfanylphenyl)acetamide" . "2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide" . "(2R)-N-(4-bromophenyl)-2-{5-[(3-methoxyphenyl)methyl]-3-methyl-6-oxo-1,6-dihydropyridazin-1-yl}-2-phenylacetamide" . "N-[[3-methoxy-4-(phenylmethoxy)phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide" . "(E)-N-(5-bromo-2-methoxyphenyl)sulfonyl-3-[5-chloro-2-(naphthalen-2-ylmethyl)phenyl]prop-2-enamide" . "2-(2-tert-butylphenoxy)-N-{5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}pyridin-3-amine" . "6-(octylamino)-1H-pyrimidine-2,4-dione" . "2-Hydroxydecanoic acid" . "3-Hydroxydecanoic acid" . "2-Hydroxydodecanoic acid" . "3-Hydroxydodecanoic acid" . "(2S)-3-phenyl-2-[[6-[4-(phenylmethoxy)phenyl]pyrimidin-4-yl]amino]propanoic acid" . "2-[4-[[5,6-di(phenyl)pyrazin-2-yl]-propan-2-ylamino]butoxy]acetic acid" . "2-[3-[[2-[4,5-di(phenyl)-1,3-oxazol-2-yl]-1-cyclohex-2-enyl]methyl]phenoxy]acetic acid" . "2-[[(6R)-6-[di(phenyl)carbamoyloxymethyl]-6-hydroxy-7,8-dihydro-5H-naphthalen-1-yl]oxy]acetic acid" . "N-[[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-methoxyphenyl)acetamide" . "4-[(1S)-1-[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]ethyl]benzoic acid" . "1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea" . "(5R)-5-[(E,3S)-3-hydroxy-4-phenylbut-1-enyl]-1-[6-(2H-tetrazol-5-yl)hexyl]pyrrolidin-2-one" . "7-[(1R,2S,3E,5Z)-10-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]deca-3,5-dien-2-yl]sulfanyl-4-oxochromene-2-carboxylic acid" . "5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3R)-3-hydroxy-4-(3-methylphenyl)but-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid" . "5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E)-4-(3-methylphenyl)but-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid" . "(3R)-3-(2-chlorophenyl)-1-(2-diethylaminoethyl)-3-hydroxy-2-oxo-4-(trifluoromethyl)indole-6-carboxamide" . "2-amino-2-methyl-N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]propanamide" . "3-amino-3-methyl-N-[(3R)-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]butanamide" . "(2R)-2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N'-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-3-ylacetohydrazide" . "1-tert-butyl-3-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]urea" . "(2S)-N-[(1R)-1-[4-(2,4-dimethoxyphenyl)-5-(3-ethylindol-1-yl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide" . "({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}difluoromethyl)phosphonic acid" . "sodium 1-amino-9,10-dioxo-4-{[4-(phenylamino)-3-[(sodiooxy)sulfonyl]phenyl]amino}-9,10-dihydroanthracene-2-sulfonate" . "(4S)-4-({5-[1-(ethoxycarbonyl)cyclobutoxy]-1-phenyl-1H-pyrazol-3-yl}formamido)-5-[4-(ethoxycarbonyl)piperazin-1-yl]-5-oxopentanoic acid" . "(2R)-2-({6-[(3-amino-5-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol" . "7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one" . "4-[4-(4-tert-butylphenyl)-2-hydroxybutoxy]benzoic acid" . "(2E,4E,7R)-11-[(2R,3R)-3-(hydroxymethyl)-4-oxooxetan-2-yl]-3,5,7-trimethylundeca-2,4-dienoic acid" . "butyl 4-{2-[(5-{2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy}-1-phenyl-1H-pyrazol-3-yl)formamido]acetyl}piperazine-1-carboxylate" . "N-{4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl}benzamide" . "N-(4-((6,7-Dimethoxyquinolin-4-yl)oxy)phenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide" . "3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide" . "4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide" . "5-[(5-{6,13-dimethyltricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-yl}-2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidin-1-yl)methyl]-N-(1H-1,2,3,4-tetrazol-5-yl)furan-2-carboxamide" . "N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide" . "[(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2-propanoyloxyacetyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate" . "{[(R)-boranuidyl({[(2R,3R,4S)-3,4-dihydroxy-5-(5-methoxy-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}phosphonic acid" . "{[(R)-{[(2R,3R,4S)-5-[6-amino-2-(methylsulfanyl)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}(boranuidyl)phosphoryl]oxy}phosphonic acid" . "2-[(3-bromo-5-tert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile" . "(3Z)-2-amino-3-[(4-hydroxyphenyl)methylidene]prop-1-ene-1,1,3-tricarbonitrile" . "6,7-dimethyl-2-phenylquinoxaline" . "6,7-dimethoxy-2-phenylquinoxaline" . "(2E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide" . "2-[(4-methoxyphenyl)methylidene]propanedinitrile" . "1,2-dimethyl-6-(thiophen-2-yl)-1H-imidazo[4,5-g]quinoxaline" . "2-(morpholin-4-yl)-6-(thianthren-1-yl)-4H-pyran-4-one" . "2,2-diphenyl-N-(2,2,2-trichloro-1-{[(4-fluoro-3-nitrophenyl)carbamothioyl]amino}ethyl)acetamide" . "5-(1,3-benzothiazol-2-yl)-3-ethyl-2-[(E)-2-[methyl(phenyl)amino]ethenyl]-1-phenyl-1H-1,3-benzodiazol-3-ium" . "2-{5-amino-7-methyl-2,6,7,9,11-pentaazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,5,8,10-pentaen-2-yl}-5-(hydroxymethyl)oxolane-3,4-diol" . "1-{1-[(4-{6-phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl}phenyl)methyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one" . "[4-(2-chloro-10H-phenoxazin-10-yl)butyl]diethylamine" . "7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine" . "4-{7-butyl-1H,5H,6H-pyrrolo[2,3-b]pyrazin-6-ylidene}cyclohexa-2,5-dien-1-one" . "14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-1(11),2,4,6,12,14,16-heptaen-9-one" . "3-{14-nitro-9-oxo-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-1(11),2,4,6,12,14,16-heptaen-4-yl}propanenitrile" . "N-{3-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]phenyl}cyclopropanecarboxamide" . "4-[[5-amino-1-(2,6-difluorobenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide" . "5-chloro-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(3-methyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine" . "(2E)-3-[(4-methylbenzene)sulfonyl]prop-2-enenitrile" . "3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide" . "methyl (3Z)-3-[({4-[N-methyl-2-(4-methylpiperazin-1-yl)acetamido]phenyl}amino)(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylate" . "3,4-bis(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione" . "3-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}propan-1-ol" . "[2-methoxy-3-(octadecylcarbamoyloxy)propyl] 2-(1,3-thiazol-3-ium-3-yl)ethyl phosphate" . "N-(3-bromophenyl)-3-methyl-3H-imidazo[4,5-g]quinazolin-8-amine" . "4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl]benzamide" . "(2E)-3-(2,3,4,5-tetrabromophenyl)prop-2-enoic acid" . "(1Z)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one" . "1-(2,6-dichlorophenyl)-6-{[4-(2-hydroxyethoxy)phenyl]methyl}-3-(propan-2-yl)-1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one" . "(3E)-3-[(2-chloro-1H-indol-3-yl)methylidene]-2,3-dihydro-1H-indol-2-one" . "2-N-[(1R,2S)-2-aminocyclohexyl]-6-N-(3-chlorophenyl)-9-ethyl-9H-purine-2,6-diamine" . "5-amino-N-(2,6-difluorophenyl)-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbothioamide" . "2H-pyrazolo[3,4-b]quinoxalin-3-amine" . "2-[(2-hydroxyethyl)(6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl)amino]ethan-1-ol" . "4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide" . "6-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaene-12,14-dione" . "2-[(3,4-dimethoxybenzene)amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide" . "1,4-dimethoxy-9,10-dihydroacridine-9-thione" . "2-methyl-5-[(4-methylphenyl)amino]-4,7-dihydro-1,3-benzothiazole-4,7-dione" . "17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{14,19}]henicosa-1(13),2,4(8),9,11,14,16,18,20-nonaen-21-ium" . "2-[4-(4-chlorophenoxy)phenyl]-1H-1,3-benzodiazole-6-carboxamide" . "2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)ethan-1-ol" . "N-(3-bromophenyl)-6,7-diethoxyquinazolin-4-amine" . "3-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one" . "(3E)-3-{[4-(dimethylamino)phenyl]methylidene}-2,3-dihydro-1H-indol-2-one" . "2-[(5-hydroxy-1H-indol-2-yl)carbonyl]-1H-indol-5-ol" . "5-phenyl-N-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1,3-thiazol-2-amine" . "4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.0^{2,6}.0^{7,12}]heptadeca-1(17),2(6),4,7(12),8,13,15-heptaen-11-one" . "2-(morpholin-4-yl)-4H-benzo[h]chromen-4-one" . "1-[2-hydroxy-4-(morpholin-4-yl)phenyl]ethan-1-one" . "2-benzoyl-5-(morpholin-4-yl)phenol" . "4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-2,3-dihydroquinolin-2-one" . "N-{3-[(6-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}cyclopropanecarboxamide" . "N-[4-(benzyloxy)phenyl]-6,7-dimethoxyquinazolin-4-amine" . "N-{4-[(3-chloro-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}but-2-ynamide" . "5-{2-phenylpyrazolo[1,5-a]pyridin-3-yl}-2H-pyrazolo[3,4-c]pyridazin-3-amine" . "5-{2-phenylpyrazolo[1,5-a]pyridin-3-yl}-1H,2H,3H-pyrazolo[3,4-c]pyridazin-3-one" . "1-nitro-2-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]guanidine" . "2-bromo-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol" . "3-{23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-3-yl}propanenitrile" . "6-bromo-3-[3-(hydroxyamino)-2H-indol-2-ylidene]-2,3-dihydro-1H-indol-2-one" . "[2-(6-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene)-2H-indol-3-yl]amino acetate" . "N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine" . "4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione" . "4-(5-{[(3-iodophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyridine" . "1-[(4-methoxyphenyl)methyl]-3-(5-nitro-1,3-thiazol-2-yl)urea" . "2,4,9,19-tetraazapentacyclo[10.7.0.0^{2,6}.0^{7,11}.0^{13,18}]nonadeca-1(12),3,5,7(11),13,15,17-heptaene-8,10-dione" . "3-{[6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy}phenol" . "3-[1-(3-hydroxypropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-(pyrazin-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione" . "5-phenyl-7-oxa-3,4-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),4,8,10-pentaene" . "N-[2-[3-(4-bromophenyl)prop-2-enylamino]ethyl]isoquinoline-5-sulfonamide" . "(9S,12S,14S,16S,17R)-8,13,14,17-tetramethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate" . "3-[(2,4,6-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-indol-2-one" . "2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide" . "3-{3-[(3,4-dihydroxybutoxy)amino]-1H-indol-2-yl}-2H-indol-2-one" . "3-[3-(hydroxyamino)-1H-indol-2-yl]-2H-indol-2-one" . "N-{1-[2-(morpholin-4-yl)ethyl]-1H-1,3-benzodiazol-2-yl}-3-nitrobenzamide" . "3-[benzyl(propan-2-yl)amino]-1-(naphthalen-2-yl)propan-1-one" . "(3Z)-5-(pyridin-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-2-one; methanesulfonic acid" . "N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-1-carboxamide" . "2-[(2Z)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-(2-{[2-(pyridin-3-yl)ethyl]amino}pyrimidin-4-yl)acetonitrile" . "N-(4-amino-5-cyano-6-ethoxypyridin-2-yl)-2-(2,5-dimethoxyphenyl)acetamide" . "14-methyl-14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one" . "14-bromo-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-1(11),2,4,6,12,14,16-heptaen-9-one" . "S-(isoquinolin-5-yl)-3-(4-{[(isoquinolin-5-yloxy)sulfanyl]peroxy}phenyl)-N-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)propane-2-sulfonamido" . "N-[2-({[(2E)-3-(4-chlorophenyl)prop-2-en-1-yl](methyl)amino}methyl)phenyl]-2-hydroxy-S'-(4-methoxyphenyl)ethane-1-sulfonamido" . "7-cyclopentyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine" . "2-(morpholin-4-yl)-8-phenyl-4H-chromen-4-one" . "2-[(1H-indol-2-yl)carbonyl]-1H-indol-5-yl butanoate" . "8-phenyl-2-(piperazin-1-yl)-4H-chromen-4-one" . "(2Z)-3-amino-3-[(2-aminophenyl)sulfanyl]-2-{3-[hydroxy(pyridin-4-yl)methyl]phenyl}prop-2-enenitrile" . "1-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)pyrrolidine-2,5-dione" . "(2Z)-3-amino-3-[(4-aminophenyl)sulfanyl]-2-[2-(trifluoromethyl)phenyl]prop-2-enenitrile" . "4-[4-(2-fluorophenyl)phenyl]-N-(4-hydroxyphenyl)butanamide" . "3-N-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine" . "1-[4-[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]triazole" . "4-N-[2-(4-phenoxyphenyl)ethyl]quinazoline-4,6-diamine" . "2-(4-chlorophenyl)-4-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydro-1H-pyrazol-3-one" . "4-[5-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine" . "4-N-(3-bromophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine" . "4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine" . "N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide" . "4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide" . "N-(3-fluorophenyl)-6,7-dimethoxy-1H,4H-indeno[1,2-c]pyrazol-3-amine" . "3-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-1-[(2-methylphenyl)carbonyl]thiourea" . "10,11,12,13,14,16-hexaazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-1(16),2(7),3,5,9,12,14-heptaen-8-one" . "(5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione" . "(5Z)-5-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidine-2,4-dione" . "3-{1-[3-(1H-imidazol-1-yl)propyl]-1H-indol-3-yl}-4-(phenylamino)-2,5-dihydro-1H-pyrrole-2,5-dione" . "(8Z)-8-(1H-imidazol-5-ylmethylidene)-6H,7H,8H-[1,3]thiazolo[5,4-e]indol-7-one" . "(3Z)-5-chloro-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-2,3-dihydro-1H-indol-2-one" . "1-tert-butyl-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine" . "1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine" . "2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol" . "(5S,6Z,8E,10E,12S,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid" . "3-(pyridin-4-yl)-1H-indole" . "2-amino-1-[(3S)-3-methyl-4-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepan-1-yl]ethan-1-one" . "3-[(2S)-2-[(dimethylamino)methyl]-1H,2H,3H,4H-pyrido[1,2-a]indol-10-yl]-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione" . "(2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol" . "4-[5-ethyl-2-(4-methoxyphenyl)-1H-imidazol-4-yl]pyridine" . "28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1(26),2(6),7(27),8,10,12,20,22,24-nonaene-3,5-dione" . "4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine" . "4-(2-methyl-4-phenyl-1,3-oxazol-5-yl)pyridine" . "3-[(6R)-6-[(4-chlorophenyl)sulfonylamino]-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid" . "4-[6-(4-fluorophenyl)-2H,3H-imidazo[2,1-b][1,3]thiazol-5-yl]pyridine" . "4-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}phenol" . "6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine" . "5-{[(3Z)-5-chloro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide" . "(3Z)-N,N-dimethyl-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-2,3-dihydro-1H-indole-5-sulfonamide" . "(3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3-dihydro-1H-indol-2-one" . "(3Z)-3-[(1-methyl-1H-indol-3-yl)methylidene]-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide" . "2-[(2-aminoethyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrimidine-5-carboxamide" . "5-[(E)-2-nitroethenyl]-2H-1,3-benzodioxole" . "2-[4-(2H-1,3-benzodioxol-5-yl)-2-tert-butyl-1H-imidazol-5-yl]-6-methylpyridine" . "4-[5-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline" . "4-[(3-chloro-4-fluorophenyl)amino]-6-[(pyridin-3-ylmethyl)amino]-1,7-naphthyridine-3-carbonitrile" . "ethyl 2,4-dimethyl-5-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-pyrrole-3-carboxylate" . "(3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-2,3-dihydro-1H-indol-2-one" . "6-(4-methoxyphenyl)-3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidine" . "N-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide" . "1-{2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)oxy]phenyl}-3-propylurea" . "1-{2-chloro-4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-3-(5-methyl-1,2-oxazol-3-yl)urea" . "2-(2,4-difluorophenyl)-6-[1-(2,6-difluorophenyl)carbamoylamino]pyridine-3-carboxamide" . "(1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.0^{2,10}.0^{5,9}.0^{15,19}]nonadeca-2(10),12(19),14-trien-3-yl acetate" . "(1R,2S,3S,5S,6R,7R)-2,6-dihydroxy-5-[(E)-4-hydroxy-3,5-dimethyl-8-phenyloct-7-enyl]-7-[(6E,12E)-tetradeca-6,12-dienoyl]oxy-4,8-dioxabicyclo[3.2.1]octane-1,2,3-tricarboxylic acid" . "N-[5-[4-chloro-3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide" . "(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine" . "2-[2-[[5-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine" . "N-(3,4-dihydro-2H-1,5-benzodioxepin-8-ylmethyl)-N-(2-methylpropyl)-4-(phenylmethyl)morpholine-2-carboxamide" . "1-[5-[3-[5-chloro-2-(phenylmethoxy)phenyl]thiophen-2-yl]pyridin-3-yl]-2,2,2-trifluoroethane-1,1-diol" . "(Z)-7-[(1S,3R,4R,5R)-7,7-difluoro-3-[(E,3S)-3-hydroxyoct-1-enyl]-6-oxabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid" . "(Z)-7-[(1S,3R,4R,5S)-3-[(E,3S)-3-hydroxyoct-1-enyl]-6-oxabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid" . "(Z)-7-[(1R,5S,6R,7R)-7-[(3S)-3-hydroxyoctyl]-3-oxo-2,4-dioxabicyclo[3.2.1]octan-6-yl]hept-5-enoic acid" . "(E)-6-[(2S,4S,5R)-2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]hex-4-enoic acid" . "(1R,3S)-1-(aminomethyl)-3-phenylisochroman-5,6-diol" . "2-{4-[(N-phenylpentanamido)methyl]phenyl}benzoic acid" . "O5-methyl O3-(2-phenylsulfanylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate" . "9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-6-amino-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxohexan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]carbamate" . "2-(4-methylphenyl)-6,7-dihydro-5H-1,4-dithiepine 1,1,4,4-tetraoxide" . "1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one" . "1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one" . "3-(3,4-dichlorophenyl)imino-1-(6-methoxypyridin-3-yl)indol-2-one" . "methyl (2S)-5,7-dichloro-5'-methoxy-6-methyl-3,3'-dioxo-4-[[(1R,4R,5R,6S)-4,5,6-trihydroxy-2-methoxycarbonyl-1-cyclohex-2-enyl]oxy]spiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate" . "[[[[(2R,3S,4R,5R)-5-[6-amino-2-(2,2,3,3,3-pentatritiopropylsulfanyl)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]-dichloromethyl]phosphonic acid" . "N-[2,4-di(phenyl)pyrazol-3-yl]-4-nitrobenzamide" . "[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-[[[[(3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-hydroxyphosphoryl]-chloromethyl]phosphinic acid" . "4-[(3-{4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxymethyl}phenyl)methoxy]benzene-1-carboximidamide" . "2-[(3S,4R)-4-hydroxy-3-(phenylmethyl)chroman-7-yl]-4-(trifluoromethyl)benzoic acid" . "7-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy]-8-propylchroman-2-carboxylic acid" . "5-[2-(2-carboxyethyl)-3-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenoxy]pentanoic acid" . "4-(3-{6-[3-(2H-1,3-benzodioxol-5-yl)-5-(thiophen-3-yl)phenoxy]hexyl}-2-(2-carboxyethyl)phenoxy)butanoic acid" . "(5Z,8E,10E,12S)-12-hydroxyheptadeca-5,8,10-trienoic acid" . "(5E)-5-[2-[(1E,3E)-5-hydroxy-5-[1-(3-phenylprop-2-ynyl)cyclobutyl]penta-1,3-dienyl]cyclohexylidene]pentanoic acid" . "(6E,8Z)-5-oxooctadeca-6,8-dienoic acid" . "(6E,8Z,11Z,13E,15S)-15-hydroxy-5-oxoicosa-6,8,11,13-tetraenoic acid" . "(6E,8Z,11Z,14Z)-20-hydroxy-5-oxoicosa-6,8,11,14-tetraenoic acid" . "(2S)-1,1,1-trifluoro-2-(4-pyrazol-1-ylphenyl)-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol" . "(6E,8Z,10E,12S,14Z)-12-hydroxy-5-oxoicosa-6,8,10,14-tetraenoic acid" . "N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-2,2-di(phenyl)acetamide" . "5-(6-chloro-2-hexyl-1H-indol-1-yl)-5-oxopentanoic acid" . "4-[2-(2-{[(tert-butoxy)carbonyl]amino}-3-(cyclohexa-1,3-dien-1-yl)-N-methylpropanamido)-3-{[1-cyclohexyl-3-hydroxy-4-({3-methyl-1-[({5-[(trimethylazaniumyl)methyl]cyclohexa-1,5-dien-1-yl}methyl)carbamoyl]butyl}carbamoyl)butan-2-yl]amino}-3-hydroxypropyl]-1H-imidazol-3-ium" . "(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methylpentan-2-yl]amino]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(3R)-2,3,4,9-tetrahydro-1H-pyrido[5,4-b]indole-3-carbonyl]amino]pentanediamide" . "N-cyclohexyl-5-[4-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboxamide" . "4-{[(1-{[2-(1-benzyl-3-methyl-1H-imidazol-3-ium-4-yl)-1-[(1-methylpiperidin-1-ium-4-yl)carbamoyl]ethyl]carbamoyl}-5-({[12-({4-[6-(diethylamino)-3-(diethyliminiumyl)-3H-xanthen-9-yl]-3-sulfobenzene}sulfonamido)dodecyl]carbamoyl}amino)pentyl)carbamoyl]methyl}-2-imino-3-methyl-2,3-dihydro-1,3-thiazol-3-ium tritrifluoroacetate" . "2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]pyridine" . "2-[4-[2-[5-(cyclopentylmethyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid" . "N-[1-[[3-(1H-indol-3-yl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]amino]-1-oxopropan-2-yl]benzamide" . "3-[(R)-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-(3-dimethylamino-3-oxopropyl)sulfanylmethyl]sulfanylpropanoic acid" . "(5S,6R,7E,9E,11Z,14Z)-6-({2-[4-carboxy-4-(methylamino)butanamido]-2-[(carboxymethyl)carbamoyl]ethyl}sulfanyl)-5-hydroxyicosa-7,9,11,14-tetraenoic acid" . "3-[(3-carboxycyclohexyl)carbamoyl]-4-{3-[4-(4-phenoxybutoxy)phenyl]propoxy}benzoic acid" . "3-[(3-carboxycyclohexyl)carbamoyl]-4-[3-[4-(4-cyclohexyloxybutoxy)phenyl]propoxy]benzoic acid" . "({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-[(4Z)-2-oxo-4-[(2-phenylethoxy)imino]-1,2,3,4-tetrahydropyrimidin-1-yl]oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid" . "{[(2R,3S,4R,5R)-5-(2-amino-4-oxo-1,4-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid" . "[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate" . "[({[(2S,3S,4R,5R)-3,4-dimethyl-5-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)methyl]phosphonic acid" . "N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]-9H-xanthene-9-carboxamide" . "N-(5-methyl-1,2,4-oxadiazol-3-yl)-9H-xanthene-9-carboxamide" . "N-(2-ethyltetrazol-5-yl)-9H-xanthene-9-carboxamide" . "11,13-diamino-5-(4-methylphenyl)-8-thia-3,5,10,12-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one" . "13-amino-11-methyl-5-(4-methylphenyl)-8-thia-3,5,10,12-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one" . "13-(dimethylamino)-5-(4-ethylphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one" . "13-(dimethylamino)-5-[4-(11C)methoxyphenyl]-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one" . "4-(18F)fluoro-N-methyl-N-(4-{6-[(propan-2-yl)amino]pyrimidin-4-yl}-1,3-thiazol-2-yl)benzamide" . "5-(4-chlorophenyl)-13-[(prop-2-yn-1-yl)amino]-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one" . "5-(4-methoxyphenyl)-13-[(prop-2-yn-1-yl)amino]-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one" . "2-{[(4-bromophenyl)methyl]sulfanyl}-N-[4-(butan-2-yl)phenyl]acetamide" . "6-(2,4-dimethylphenyl)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-one" . "5-methyl-3,6-di(phenyl)-[1,2]oxazolo[4,5-c]pyridin-4-one" . "3-(8-iodo-5-oxo-3,4,5,6-tetrahydro-1,6-benzodiazocin-2-yl)benzonitrile" . "8-bromo-5-[3-(pyridin-4-yl)phenyl]-1,2,3,4-tetrahydro-1,6-benzodiazocin-2-one" . "4-(8-bromo-5-oxo-3,4,5,6-tetrahydro-1,6-benzodiazocin-2-yl)pyridine-2-carbonitrile" . "(6E)-N-(4-chlorophenyl)-6-(hydroxyimino)-2-oxatricyclo[5.4.0.0^{3,5}]undeca-1(11),7,9-triene-3-carboxamide" . "(6E)-6-(hydroxyimino)-N-(4-methylphenyl)-2-oxatricyclo[5.4.0.0^{3,5}]undeca-1(11),7,9-triene-3-carboxamide" . "(6E)-6-(hydroxyimino)-N-(4-methoxyphenyl)-2-oxatricyclo[5.4.0.0^{3,5}]undeca-1(11),7,9-triene-3-carboxamide" . "[(3R)-1-({4-[2-(4-methoxyphenyl)ethynyl]phenyl}carbonyl)piperidin-3-yl]methanol" . "4-[3-(2,6-dimethylpyridin-4-yl)phenyl]-7-methyl-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one" . "1-(2,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[4,5-e]pyrimidine" . "4-[(1E)-[2-(3-methylquinoxalin-2-yl)hydrazin-1-ylidene]methyl]phenol" . "3-(4-methylphenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one" . "(6E)-6-(hydroxyimino)-N-(pyridin-2-yl)-2-oxatricyclo[5.4.0.0^{3,5}]undeca-1(11),7,9-triene-3-carboxamide" . "N-(pyridin-2-yl)-5-thia-3,11,12-triazatricyclo[8.3.0.0^{2,6}]trideca-1(13),2(6),3,10-tetraen-4-amine" . "N-[4-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine" . "N-(3-chlorophenyl)pyridine-2-carboxamide" . "4-[(E)-2-phenylethenyl]pyrimidin-2-amine" . "4-(1-phenylpyrazolidin-4-yl)quinoline" . "4-methyl-N-[5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]pyrimidin-2-amine" . "(4Z,7S,8R,9E,11E,13Z,15E,17R,19Z)-7,8,17-trihydroxydocosa-4,9,11,13,15,19-hexaenoic acid" . "2-({4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methyl)-1-methyl-1H-1,3-benzodiazole" . "2-{[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl}-1-methyl-1H-1,3-benzodiazole" . "2-{[(1R,5S,6S)-6-{[(5-chloropyridin-2-yl)methoxy]methyl}-3-azabicyclo[3.1.0]hexan-3-yl]methyl}-1-methyl-1H-1,3-benzodiazole" . "1-methyl-2-{[(1R,5S,6S)-6-({[5-(trifluoromethyl)pyridin-2-yl]methoxy}methyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl}-1H-1,3-benzodiazole" . "(1R,5S,6S)-6-{[(3-chlorophenyl)methoxy]methyl}-3-({1-methyl-1H-imidazo[4,5-b]pyridin-2-yl}methyl)-3-azabicyclo[3.1.0]hexane" . "N-[3-(cyclopentyloxy)phenyl]-2,2,2-trifluoro-N-(pyridin-3-ylmethyl)ethane-1-sulfonamide" . "4-[4-(ethylsulfonyl-(pyridin-3-ylmethyl)amino)phenoxy]benzamide" . "N-({4-[3-hydroxy-4-(2-methylpropanoyl)-2-(trifluoromethyl)phenoxymethyl]phenyl}methyl)-1-methyl-1H-imidazole-4-carboxamide" . "3-[(Z)-4-[[(Z)-4-(7, 8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)but-2-enyl]-[(2R)-2-(3, 4-dimethoxyphenyl)propyl]amino]but-2-enyl]-7, 8-dimethoxy-1H-3-benzazepin-2-one" . "(E)-3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-enoic acid" . "N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide" . "4-amino-1-[(1S,6R,8R,9R)-3,9-dihydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]pyrimidin-2-one" . "3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]cyclohexyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one" . "4-butoxy-N-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide" . "3-(4-chlorophenyl)-1-[2-(4-methoxyphenyl)ethyl]urea" . "(3E)-1-methyl-3-(2-oxopropylidene)indol-2-one" . "2-Iodoacetamide" . "2-methylsulfonothioyloxyethanamine" . "Methyl 4-hydroxybenzoate" . "4-hydroxynon-2-enal" . "N-(4-butan-2-ylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide" . "acetaldehyde" . "sodium sulfanide" . "(Z)-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-1-cyclopent-3-enyl]hept-5-enoic acid" . "(NE)-N-[(E)-1-(4-fluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine" . "2-Oxopropanal" . "2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoic acid" . "[4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-nitrobenzoate" . "(E)-4-oxonon-2-enal" . "2-Chloro-1-phenylethanone" . "(3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one" . "(1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6, 6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarbaldehyde" . "(E)-but-2-enal" . "azanium;chloride" . "methylimino-oxomethane" . "1,6-Diisocyanatohexane" . "trichloro-nitromethane" . "1-bromopropan-2-one" . "bromomethylbenzene" . "dibutyl benzene-1,2-dicarboxylate" . "(E)-9-nitrooctadec-9-enoic acid" . "[4-[(1S)-1-acetyloxyprop-2-enyl]phenyl] acetate" . "N-(4-oxo-1-cyclohexa-2,5-dienylidene)acetamide" . "3,7-dimethyloct-6-enal" . "4-[3-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]oxiran-2-yl]butanoic acid" . "(5Z,9E)-8-hydroxy-10-[(3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,9-dienoic acid" . "gold(+1) cation; (2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate; triethylphosphane" . "cyclohexa-2,5-diene-1,4-dione" . "2-(4-hydroxyphenyl)ethyl (E,3S)-4-formyl-3-(2-oxoethyl)hex-4-enoate" . "N-benzyl-4-(2-methylpropylamino)-2-[4-(oxan-3-ylmethyl)piperazin-1-yl] pyrimidine-5-carboxamide" . "(2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile" . "[(1E)-5-cyclohexyl-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene]amino benzenesulfonate" . "(1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile" . "1-[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-phenylpiperidine" . "1-(cyclopropylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)-1,2-dihydropyridine-3-carbonitrile" . "8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione" . "2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}methyl)benzonitrile" . "1-butyl-4-{3-fluoro-4-[(2-methylpyridin-4-yl)oxy]phenyl}-2-oxo-1,2-dihydropyridine-3-carbonitrile" . "3-[(5S)-5-(4-tert-butylphenoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzonitrile" . "(2S)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]pyrrolidine-2-carboxylic acid" . "2-chloro-5-(3-{[(2-cyclopentyl-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)oxy]methyl}phenyl)benzoic acid" . "5-{2-[7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl}pyridine-3-sulfonic acid" . "3-{3-[7-methyl-2-oxo-8-(trifluoromethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]phenyl}benzene-1-sulfonic acid" . "2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]benzoic acid" . "(2E)-3,7-dimethylocta-2,6-dienal" . "2,2,2-trifluoro-N-(3-pentan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide" . "2,2,2-trifluoro-N-(3-pentan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide" . "(2S)-1-[(2S)-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid" . "[(3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2,4-dihydroxyoxolan-3-yl] acetate" . "5-{1-[2-(18F)fluoropyridin-3-yl]-5-methyl-1H-1,2,3-triazol-4-yl}-2-propyl-2,3-dihydro-1H-isoindol-1-one" . "5-[1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-2-propan-2-yl-3H-isoindol-1-one" . "1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-phenylethanone" . "3-[(3R)-3-methyl-4-[(4-methyladamantan-1-yl)carbonyl]piperazin-1-yl]pyridine-2-carbonitrile" . "(5S)-14-(4-chlorophenyl)-5-methyl-6-oxa-11-thia-3,9,14,16-tetraazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1,7,9,12(17),15-pentaen-13-one" . "(2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[d]pyrrole-2-carboxylic acid" . "3-cyclohexyl-5-fluoro-6-methyl-7-[2-(morpholin-4-yl)ethoxy]-4H-chromen-4-one" . "2-cyclopropyl-5-[1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]-2,3-dihydro-1H-isoindol-1-one" . "4-[5-(4-chlorophenyl)-6-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1-sulfonamide" . "13-(4-methoxyphenyl)-10-thia-3,8,13,15-tetraazatetracyclo[7.7.0.0^{2,6}.0^{11,16}]hexadeca-1(9),2(6),7,14-tetraen-12-one" . "(2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[d]pyrrole-2-carboxylic acid" . "14-(4-methoxyphenyl)-6-oxa-11-thia-3,9,14,16-tetraazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1,7,9,12(17),15-pentaen-13-one" . "14-(4-chlorophenyl)-6-oxa-11-thia-3,9,14,16-tetraazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1,7,9,12(17),15-pentaen-13-one" . "3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide" . "(5R)-14-(4-chlorophenyl)-5-methyl-6-oxa-11-thia-3,9,14,16-tetraazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1,7,9,12(17),15-pentaen-13-one" . "2-[2-[[4-(2,3-dihydro-1H-inden-2-ylamino)pyrido[4,5-e]pyrimidin-6-yl]amino]ethoxy]ethanol" . "(3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid" . "N-cycloheptyl-6-(2-morpholin-4-ylethoxy)pyrido[4,5-e]pyrimidin-4-amine" . "(3S)-2-[(2S)-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid" . "6-[1-(2-fluoropyridin-3-yl)-5-methyltriazol-4-yl]quinoline" . "5-cycloheptyl-13-(dimethylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one" . "13-(dimethylamino)-5-(4-methylphenyl)-8-thia-3,5,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one" . "13-(dimethylamino)-5-(4-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one" . "13-(cyclopropylamino)-5-(4-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one" . "7-methyl-6-(phenylmethoxy)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one" . "(2E,5S)-5-[(1R,4aS,11aR)-1-Acetoxy-7-methyl-11-methylene-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-4-yl]-2-methyl-2-pentene-1,5-diyl diacetate" . "N-tert-butyl-3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[5,4-e]pyrimidin-5-yl)-4-ethoxybenzenesulfonamide" . "5-mesityl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene" . "N-[2,5-di(phenyl)pyrazol-3-yl]-4-nitrobenzamide" . "3-(4-chlorophenyl)-5-methyl-4-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]-1,2-oxazole" . "4-chloro-N-(2-morpholin-4-ylcyclohexyl)benzenesulfonamide" . "(2S)-1-[(2S)-6-amino-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylic acid" . "N-cyclohexyl-6-[(2-methoxyethyl-methylamino)methyl]-N-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide" . "13-(dimethylamino)-5-(2-fluoro-4-methoxyphenyl)-8-thia-3,5,10,12-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one" . "4-[1-(2-fluoropyridin-3-yl)-5-methyltriazol-4-yl]-N-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide" . "4-(2,2-dimethylpropyl) 2-propyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate" . "13-(cyclopropylamino)-5-(4-methoxyphenyl)-8-thia-3,5,10,12-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one" . "N-[(5R,7S)-2-(3-chlorophenyl)-1-oxa-3-azaspiro[4.5]dec-2-en-7-yl]acetamide" . "(2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid" . "ethyl N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]carbamate" . "(1R,2S,5R)-5-methyl-2-propan-2-yl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide" . "[(1R)-1-phenylethyl] N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate" . "6-[(3-chlorophenyl)methoxy]-4-methylpyridine-2-carbonitrile" . "2-chloro-6-[(2-methylpyridin-4-yl)methoxy]pyridine-4-carbonitrile" . "(2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-hydroxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid" . "2-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid" . "(2S)-2-[[(3S)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-phenylbutanoic acid" . "N-(2-aminoethyl)-N-[[3-methoxy-4-(phenylmethoxy)phenyl]methyl]thiophene-2-carboxamide" . "(4S)-3-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid" . "(4S)-3-[(2S)-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid" . "ethyl 3-[[2-[[4-(N-hexoxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate" . "4-methyl-7-(phenoxymethyl)-2H,3H,4H-pyrido[3,2-b][1,4]oxazine" . "2-(3-chlorophenyl)-4-methyl-5-[(2R)-1-[(1,3-thiazol-2-yl)carbonyl]pyrrolidin-2-yl]pyridine" . "3-fluoro-5-[2-[2-(fluoromethyl)-1,3-thiazol-4-yl]ethynyl]benzonitrile" . "3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid" . "ethyl 2-[[(1R)-1-cyclohexyl-2-[(2S)-2-[[4-(N'-hydroxycarbamimidoyl)phenyl]methylcarbamoyl]azetidin-1-yl]-2-oxoethyl]amino]acetate" . "2-[[(1R)-2-[(2S)-2-[(4-carbamimidoylphenyl)methylcarbamoyl]azetidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]acetic acid" . "(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid" . "2-[2-oxo-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl]isoindole-1,3-dione" . "2-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]isoindole-1,3-dione" . "2-chloro-4-[2-[2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]ethynyl]pyridine" . "2-chloro-4-[2-[2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]ethynyl]pyridine" . "5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide" . "5-chloro-N-(2-piperidin-1-ylphenyl)thiophene-2-sulfonamide" . "1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide" . "[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]boronic acid" . "5-{1-[2-(18F)fluoropyridin-3-yl]-5-methyl-1H-1,2,3-triazol-4-yl}-2-(propan-2-yl)-2,3-dihydro-1H-isoindol-1-one" . "1-(5-chloropyridin-2-yl)-3-(3-cyano-5-fluorophenyl)urea" . "N-(propan-2-yl)-5-[2-(pyridin-4-yl)ethynyl]pyridine-2-carboxamide" . "5-[(7S)-3-tert-butyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole" . "2-[2-(3-methoxyphenyl)ethynyl]-5-methylpyridine" . "2-[2-(5-bromopyridin-3-yl)ethynyl]-5-methylpyridine" . "3-fluoro-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile" . "4-butoxy-N-(2,4-difluorophenyl)benzamide" . "N-cyclobutyl-6-[2-(3-fluorophenyl)ethynyl]pyridine-3-carboxamide" . "5-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyridine-2-carboxamide" . "4-Hydroxy-3-methoxybenzaldehyde" . "(1R,4R,6S)-1,7,7-trimethylbicyclo[2.2.1]heptan-6-ol" . "5-fluoro-2-{3-[(3S,6R)-1-[(4-fluorophenyl)carbonyl]-6-methylpiperidin-3-yl]-1,2,4-oxadiazol-5-yl}pyridine" . "2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol" . "1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone" . "2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol" . "(6aR,10aR)-6,6,9-trimethyl-3-propyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol" . "(1R,2R)-2-methyl-N-[3-(2-methylindazol-5-yl)-4-(6-propylpyridin-2-yl)-1,2-thiazol-5-yl]cyclopropane-1-carboxamide" . "1-(4-fluorophenyl)-2,5-dimethyl-N-(6-methylpyridin-2-yl)-1H-imidazole-4-carboxamide" . "(4-hydroxypiperidin-1-yl)-[4-(2-phenylethynyl)phenyl]methanone" . "6-(2-phenylethynyl)-1,2,3,4-tetrahydroisoquinolin-1-one" . "1-({6-[2-(3-fluorophenyl)ethynyl]pyridin-3-yl}carbonyl)piperidin-4-ol" . "2-{4-[2-(benzyloxy)acetyl]piperazin-1-yl}benzonitrile" . "3-(2-pyridin-2-ylethynyl)-5-(tritritiomethoxy)pyridine" . "2-[3-methoxy-4-(pyridin-2-yl)phenyl]-2,3-dihydro-1,3-benzoxazole" . "2-(3-methoxy-4-pyridin-2-ylphenyl)imidazo[1,2-a]pyridine" . "2-{2-[2-(difluoromethoxy)-5-({5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}carbonyl)phenyl]ethynyl}pyridine" . "[5-chloro-6-[(6-methylpyridin-3-yl)amino]pyridin-3-yl]-[(2R)-2-ethylpiperidin-1-yl]methanone" . "2-[5-(3-ethynyl-5-fluorophenyl)-4H,5H,6H,7H,8H-[1,3]oxazolo[4,5-c]azepin-2-yl]pyridine" . "2-[2-[[5-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine" . "[4-[2-(2-dimethylamino-2-oxoethoxy)-2-oxoethyl]phenyl] 4-(diaminomethylideneamino)benzoate" . "4-fluoro-N-[N'-[2-[[5-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]carbamimidoyl]benzamide" . "[(1R)-1-(6-methyl-[1,3]thiazolo[2,3-e][1,2,4]triazol-5-yl)ethyl] N-phenylcarbamate" . "3-cyano-5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide" . "N-(3-chlorophenyl)-3-cyano-5-fluorobenzamide" . "2-[(1,3-benzoxazol-2-yl)amino]-4-(4-fluorophenyl)pyrimidine-5-carbonitrile" . "3-fluoro-5-[3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrile" . "6-[5-(3-cyano-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile" . "2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetic acid" . "3-fluoro-5-(2-methyl-2,3-dihydro-1,3-benzothiazol-5-yl)benzonitrile" . "3-methoxy-5-(7-methylpyrido[2,3-d]pyrimidin-2-yl)benzonitrile" . "3-fluoro-5-(2-methylquinolin-7-yl)benzonitrile" . "7-(3,5-dimethoxyphenyl)-2-methyl-1,6-naphthyridine" . "N-(6-methylpyridin-2-yl)-2-oxo-2,3,4,5-tetrahydro-1,3-benzoxazole-4-carboxamide" . "3-amino-6-methyl-N-pyridin-2-ylpyrazine-2-carboxamide" . "3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)benzonitrile" . "3-fluoro-5-[5-(4-methyl-1H-imidazol-2-yl)-2H-1,2,3,4-tetrazol-2-yl]benzonitrile" . "2-{2-[3-fluoro-5-(pyridin-3-yloxy)phenyl]-2H-1,2,3,4-tetrazol-5-yl}pyridine" . "N-(2-chloropyrimidin-4-yl)-2,5-dimethyl-1-phenyl-1H-imidazole-4-carboxamide" . "2-(4-{6-fluoroimidazo[1,2-a]pyridin-2-yl}but-1-yn-1-yl)pyridine" . "(2S,3aR,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid" . "(2S)-2-[[(2S)-2-(1,3-benzodioxol-5-ylmethyl)-3-sulfanylpropanoyl]amino]propanoic acid" . "(2S,3aR,7aS)-1-[(2S)-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid" . "(2S,4S)-4-cyclohexyl-1-[2-[[(1S)-2-methyl-1-propanoyloxypropoxy]-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylic acid" . "(2S,4S)-4-cyclohexyl-1-[2-(hydroxy-(4-phenylbutyl)phosphoryl)acetyl]pyrrolidine-2-carboxylic acid" . "(1S,9S)-9-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-10-oxo-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]diazepine-1-carboxylic acid" . "N-{3-[(4aS,7aS)-2-amino-4H,4aH,5H,7H,7aH-furo[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide" . "(1S,9S)-9-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]-10-oxo-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]diazepine-1-carboxylic acid" . "(2S,4S)-1-[(2S)-3-(benzoylsulfanyl)-2-methylpropanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylic acid" . "(2S,4S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylic acid" . "(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide" . "7-bromo-N-(1-phenylcyclopropyl)-3-[(4-piperidin-1-ylpiperidin-1-yl) methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide" . "cis-4-[({1-[(2S)-2-carboxy-3-(2-methoxyethoxy)propyl]cyclopentyl}carbonyl)amino]cyclohexanecarboxylic acid" . "(4S)-4-{[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl](methyl)amino}-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol" . "(2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide" . "(1S,9S)-N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]-9-(isoquinoline-1-carbonylamino)-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-1-carboxamide" . "(2S)-4-[4-(4-chlorophenyl)phenyl]-4-oxo-2-(phenylsulfanylmethyl)butanoic acid" . "(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-(2-{2-[2-(2-{[(2S)-1-[(2S)-2-{[(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}acetamido)acetamido]acetamido}acetamido)-3-carbamoylpropanamido]acetamido}-3-carboxypropanamido]-3-phenylpropanamido]-4-carboxybutanamido]-4-{[(2S,3S)-1-[(2S)-2-{[(1S)-3-carboxy-1-{[(1S)-3-carboxy-1-{[(1S)-1-{[(1S)-1-carboxy-3-methylbutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propyl]carbamoyl}propyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}butanoic acid" . "N-[4-chloro-2-[(4-fluoro-1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide" . "benzo[b][1,5]benzoxazepine" . "11H-benzo[c][1]benzazepine" . "3-ethyl-2-methoxy-6-{[(1s,4s)-4-methoxycyclohexyl]carbonyl}quinoline" . "N-[(5-methanesulfonylpyridin-2-yl)methyl]-6-methyl-5-(1-methyl-1H-pyrazol-5-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide" . "(2S)-N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide" . "(3aS,4R,9bR)-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-8-(propan-2-yl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline" . "5-nitro-2-(2-phenylchroman-6-yl)oxypyridine" . "cis-4-{[(1-{(2S)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-[(2-methoxyethoxy)methyl]-3-oxopropyl}cyclopentyl)carbonyl]amino}cyclohexanecarboxylic acid" . "N-[(3S)-2-oxooxetan-3-yl]-3-phenylpropanamide" . "N-(3,4-dioxo-1-phenyl-7-pyridin-2-yloxyheptan-2-yl)-2-(5-formamido-6-oxo-2-phenylpyrimidin-1-yl)acetamide" . "(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenal" . "(3S)-N-hydroxy-4-[4-(4-hydroxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxamide" . "3-(4-{2-[2-(cyanomethyl)phenyl]ethynyl}-2-fluorophenyl)propanoic acid" . "2-[(3S)-6-({3-[4-(3-methanesulfonylpropoxy)-2,6-dimethylphenyl]phenyl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid" . "(3S)-3-[4-({3-[4-(trifluoromethyl)phenyl]phenyl}methoxy)phenyl]hex-4-ynoic acid" . "(3S)-N-hydroxy-4-{4-[(4-hydroxybut-2-yn-1-yl)oxy]benzenesulfonyl}-2,2-dimethylthiomorpholine-3-carboxamide" . "(3S)-3-[2-(3-chlorophenyl)acetamido]-4-[4-(trifluoromethyl)phenyl]butanoic acid" . "3-{cyclopropyl[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]carbamoyl}-4-phenylbutanoic acid" . "(2R)-5,5,5-trifluoro-2-(N-{[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl}4-chlorobenzenesulfonamido)pentanamide" . "3-(4-{[5-fluoro-2-(4-methylphenyl)phenyl]methoxy}phenyl)propanoic acid" . "(4R)-4-{[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl](methyl)amino}-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol" . "N-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide" . "N-[3-[3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxopyrido[3,4-e]pyrimidin-1-yl]phenyl]acetamide" . "4-hydroxy-10-methyl-4-oxo-3,5-dioxa-9-aza-4$l^{5}-phosphabicyclo[5.4.0]undeca-1(11),7,9-trien-11-ol" . "ethyl 4-[(2S)-3-{3-[(1E)-[(hydroxyamino)imino]methyl]phenyl}-2-[2,4,6-tris(propan-2-yl)benzenesulfonamido]propanoyl]piperazine-1-carboxylate" . "ethyl 4-[(2S)-3-(3-carbamimidoylphenyl)-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]propanoyl]piperazine-1-carboxylate" . "2-methylbut-2-enoic acid" . "1-methylcyclopropane-1-carboxylic acid" . "phenylmethyl (2S)-2-[[(2S)-2-(acetylsulfanylmethyl)-3-(1,3-benzodioxol-5-yl)propanoyl]amino]propanoate" . "[(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate" . "(3S)-N-hydroxy-2,2-dimethyl-4-(4-pyridin-4-yloxyphenyl)sulfonylthiomorpholine-3-carboxamide" . "2-[(3S)-3-[[1-[(2R)-2-ethoxycarbonyl-4-phenylbutyl]cyclopentanecarbonyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid" . "(2R)-2-[[1-[[(3S)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]carbamoyl]cyclopentyl]methyl]-4-phenylbutanoic acid" . "(3S)-3-[[(2S)-2-[[2-[(2-tert-butylphenyl)amino]-2-oxoacetyl]amino]propanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid" . "(2R)-2-[(3R)-3-amino-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide" . "(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one" . "(2R)-2-aminobutanedioic acid" . "(2R,3R,4R,5S)-N,3,4,5-tetrahydroxy-1-[4-(phenoxy)phenyl]sulfonylpiperidine-2-carboxamide" . "5-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl-1-(phenylmethyl)indole-2,3-dione" . "(2S)-2-amino-5-[(N'-propylcarbamimidoyl)amino]pentanoic acid" . "5-(2-ethoxyethyl)-5-[4-(4-fluorophenoxy)phenoxy]-1,3-diazinane-2,4,6-trione" . "(4S)-4-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]-5-[[(2S)-1-[[(2S)-4-hydroxy-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid" . "(2R)-N-[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]-N'-hydroxy-2-[3-(3-methyl-4-phenylphenyl)propyl]butanediamide" . "(3R,5R)-3-butyl-3-ethyl-7,8-dimethoxy-5-phenyl-4,5-dihydro-2H-benzo[f][1,4]thiazepine 1,1-dioxide" . "(4R,5R)-5-[4-[4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)butoxy]phenyl]-3,3-dibutyl-7,8-dimethoxy-1,1-dioxo-4,5-dihydro-2H-1λ6-benzothiepin-4-ol" . "(2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid" . "(2S,3S)-2-N-[(1S)-1-(benzylcarbamoyl)-2-phenylethyl]-3-N-[2-(4-hydroxyphenyl)ethyl]oxirane-2,3-dicarboxamide" . "[(2S,3aS,7aS)-2-(1,3-thiazolidine-3-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone" . "[(E)-[(3-bromophenyl)(3-hydroxyphenyl)methylidene]amino]thiourea" . "methyl (2S)-2-[[(2S,3S)-2-[[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]carbamoylamino]-3-methylpentanoyl]amino]-3-methylbutanoate" . "N-[(1R)-1-(N'-cyano-N,N'-dimethylhydrazinecarbonyl)-2-(2-methylpropanesulfonyl)ethyl]benzamide" . "2-amino-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(1,3-dihydroisoindol-2-yl)butane-1,4-dione" . "(2S)-2-amino-4-[(4-chlorophenyl)methylamino]-1-piperidin-1-ylbutan-1-one" . "3-amino-6,6-dimethyl-2-phenyl-8H-pyrano[4,5-e]pyridazine-4-carbonitrile" . "N-{3-[(3R)-5-amino-3-methyl-3,6-dihydro-2H-1,4-oxazin-3-yl]-4-fluorophenyl}-5-chloro-3-methylpyridine-2-carboxamide" . "2-bromo-N-[(2S,3S)-4-[2-(2,4-dichlorophenyl)ethyl-[3-(1,3-dioxoisoindol-2-yl)propanoyl]amino]-3-hydroxy-1-[3-(phenoxy)phenyl]butan-2-yl]-4,5-dimethoxybenzamide" . "1,3-bis(phenylmethyl)-1,3-diazetidine-2,4-dione" . "3-[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]benzoic acid" . "N-[(2S,4S)-1-(ethoxymethoxy)-5-(hydroxyamino)-4-methyl-5-oxopentan-2-yl]-4-(phenoxy)benzamide" . "(2R)-N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-2-(phenylmethylsulfonylamino)propanamide" . "4-[(2S)-2-[4-(4-chlorophenoxy)phenoxymethyl]pyrrolidin-1-yl]butanoic acid" . "(2S)-2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoylamino]-5-(carbamoylamino)-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pentanamide" . "2-[(2-carbamimidoyl-1-benzothiophen-4-yl)oxy]-2-phenylethyl N-(2-{[(2-methylpropyl)amino]methyl}phenyl)carbamate" . "(3S)-2,2-dimethyl-3-[(7E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl]oxirane" . "2-[3-(5-carbamimidoyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-5-{5-[(carbamoylamino)methyl]-2-hydroxyphenyl}-4-oxocyclohexa-1,5-dien-1-yl]butanedioic acid" . "methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate" . "8-bromo-4H-[1,2,4]oxadiazolo[3,4-c][1,4]benzoxazin-1-one" . "(2S)-2-benzyl-3-{[(2S)-1-[(2S)-2-acetamido-4-methylpentanoyl]pyrrolidin-2-yl](hydroxy)phosphoryl}propanoic acid" . "2,4-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrole" . "1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[3,2-e]pyrimidine-2,4-dione" . "5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-3-yl]-3-ethyl-2-(2-methoxyethyl)-4H-pyrazolo[3,4-e]pyrimidin-7-one" . "3-phenyl-2-(propylsulfanyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one" . "2-[6-({bicyclo[2.2.1]heptan-2-yl}amino)-9H-purin-9-yl]-5-(chloromethyl)oxolane-3,4-diol" . "8-(4-{4-[(4-chlorophenyl)methyl]piperazine-1-sulfonyl}phenyl)-1-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione" . "(2S)-2-(2-benzyl-3-{[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl}propanamido)-3-(1H-indol-3-yl)propanoic acid" . "[2-[3-[methyl-[1-(naphthalene-2-carbonyl)piperidin-4-yl]carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid" . "(2S)-N-[(4-carbamimidoylphenyl)methyl]-5-[(diaminomethylidene)amino]-2-[(2S)-2-[(2S)-5-[(diaminomethylidene)amino]-2-(2-phenylacetamido)pentanamido]-3-methylbutanamido]pentanamide" . "N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide" . "(2S)-N-[(2S,3R)-1-cyclohexyl-4,4-difluoro-3-hydroxy-4-{[(2S)-2-methylbutyl]carbamoyl}butan-2-yl]-2-[(2S)-2-[(morpholine-4-sulfonyl)amino]-3-phenylpropanamido]pent-4-enamide" . "(2S)-3-methyl-2-[12-(5-methylfuran-2-yl)-8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5-sulfonamido]butanoic acid" . "1-isothiocyanato-4-methylsulfinylbutane" . "(3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid" . "(3S)-2-[(2S)-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid" . "trans-4-(Aminomethyl)cyclohexanecarboxylic acid" . "N-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enyl]-4-pyridin-2-ylbenzamide" . "6-aminohexanoic acid" . "(7S)-8-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-1,4-dithia-8-azaspiro[4.4]nonane-7-carboxylic acid" . "(7S)-8-[(2S)-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-1,4-dithia-8-azaspiro[4.4]nonane-7-carboxylic acid" . "4-[4-(3-hydroxyphenyl)-3-(4-methylphenyl)-6-oxo-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]benzoic acid" . "7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione" . "(Z)-4-oxo-N-[4-[3-[4-[[(Z)-4-oxobut-2-enoyl]amino]phenoxy]phenoxy]phenyl]but-2-enamide" . "2-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propylsulfanyl]benzaldehyde" . "(2S)-2-{[(4S)-3-(benzenesulfonyl)-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}-3-[(benzylcarbamoyl)amino]propanoic acid" . "(2S,3R)-2-azaniumyl-3-hydroxyoctadecyl phosphate" . "2-[(3R,11S,17S,20S,25aS)-11-(4-carbamimidamidobutyl)-3-carbamoyl-20-(indol-3-ylmethyl)-1,9,12,15,18,21-hexaoxo-docosahydro-1H-pyrrolo[2,1-g]1,2-dithia-5,8,11,14,17,20-hexaazacyclotricosan-17-yl]acetic acid" . "(2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid" . "2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl]acetic acid" . "2-[1-[(3S)-4-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]morpholine-3-carbonyl]piperidin-4-yl]acetic acid" . "(E)-1-(4-acetylpiperazin-1-yl)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-en-1-one" . "2-[(2S,5R,8S,11S)-11-[3-(diaminomethylideneamino)propyl]-7-methyl-3,6,9,12,15-pentaoxo-5-(phenylmethyl)-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid" . "[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate" . "5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-2,3-dihydroinden-1-one" . "[4-[5-[4-(dimethyl-prop-2-enylazaniumyl)phenyl]-3-oxopentyl]phenyl]-dimethyl-prop-2-enylazanium" . "(2R,3S,4E)-2-(methylamino)-5-(4-pentylphenyl)pent-4-ene-1,3-diol" . "[3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate" . "[3-[(1S)-1-dimethylaminoethyl]phenyl] N-ethyl-N-methylcarbamate" . "trimethyl-(4-oxobutyl)azanium" . "4-trimethylazaniumylbutanoate" . "4-aminobutanal" . "4-oxobutanoate" . "(2S)-3-azaniumyl-2-methylpropanoate" . "2-methyl-3-oxopropanoate" . "[(2R)-1-[(4-{3-[(benzenesulfonyl)methyl]-5-methylphenoxymethyl}phenyl)methyl]pyrrolidin-2-yl]methanol" . "3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide" . "(2R)-2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol" . "1-[4-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-3H-imidazol-2-yl]ethanone" . "hexadecanal" . "2-azaniumylethyl phosphate" . "3-(4-Hydroxyphenyl)-2-oxopropanoic acid" . "5-(aminomethyl)-1-[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3H-imidazole-2-thione" . "8,9-dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine" . "2-(3,4-dihydroxyphenyl)acetaldehyde" . "2-(3,4-dihydroxyphenyl)-2-hydroxyacetic acid" . "2-(5-hydroxy-1H-indol-3-yl)acetaldehyde" . "2-(4-hydroxyphenyl)acetaldehyde" . "N-[3-(2,4-dichlorophenoxy)propyl]-N-methylprop-2-yn-1-amine" . "(5R)-5-(methoxymethyl)-3-[4-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]phenyl]-1,3-oxazolidin-2-one" . "8-Methyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole" . "methyl(1-phenylpropan-2-yl)(prop-2-yn-1-yl)amine" . "N-(2-aminoethyl)-5-chloropyridine-2-carboxamide" . "(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine" . "4-(2-aminoethyl)-2-methoxyphenol" . "4-(2-Amino-1-hydroxyethyl)-2-methoxyphenol" . "4-(1-hydroxy-2-methylaminoethyl)-2-methoxyphenol" . "2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid" . "(3,4-dihydroxy-5-nitrophenyl)-(4-methylphenyl)methanone" . "(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraen-1-ol" . "(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenal" . "(E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide" . "2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]propanoic acid" . "1-methyl-3H-imidazole-2-thione" . "6-propyl-2-sulfanylidene-1H-pyrimidin-4-one" . "(2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid" . "5-{2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl}-N-tert-butylpyridine-3-sulfonamide" . "(2S)-2-amino-1-hydroxyoctadecan-3-one" . "N-[(2S)-1-[[(2S)-1-[[3-[4-(aminomethyl)piperidine-1-carbonyl]phenyl] methylamino]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan- 2-yl]-1,2-oxazole-5-carboxamide" . "(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraen-1-ol" . "methyl 2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxylate" . "N-[(2S)-3-cyclohexyl-1-[[(2S,3R)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide" . "5-(benzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid" . "4-[di(phenyl)methoxy]-1-[3-(2H-tetrazol-5-yl)propyl]piperidine" . "(E,2S,3R,4R)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid" . "4-bromo-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide" . "1-(3-iodanylphenyl)-3-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea" . "N-[2-(benzoylamino)-1,3-benzothiazol-6-yl]adamantane-1-carboxamide" . "(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenal" . "2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate" . "N-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine" . "N-[2-(3,4-dichlorophenyl)ethyl]-N,N',N'-trimethylethane-1,2-diamine" . "1-cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine" . "(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-chlorophenoxy)butanoate" . "1,2-bis(2-methylphenyl)guanidine" . "1,2-bis(2-methylphenyl)guanidine" . "1,2,3,4-tetrahydroacridin-9-amine" . "2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[4,5-e]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid" . "2-[[4-[(2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid" . "2-methyl-2-[3-[(3S)-1-[2-(4-propan-2-ylphenyl)acetyl]piperidin-3-yl]phenoxy]propanoic acid" . "(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol" . "(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid" . "N-pyridazin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]piperidine-1-carboxamide" . "2-methyl-1-(2-methyl-5-nitrophenyl)sulfonylbenzimidazole" . "N-(2-diethylaminoethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-6,7-dihydro-5H-cyclopenta[e]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide" . "3-[2-methyl-5-(piperidine-1-sulfonyl)furan-3-yl]-1-phenylurea" . "4-[(1R,2R)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzonitrile" . "S-(fluoromethyl) (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioate" . "(2E)-4,4,4-trifluoro-2-[(3-methylphenyl)hydrazinylidene]-1-thiophen-2-ylbutane-1,3-dione" . "[4-[(4-tert-butylcyclohexanecarbonyl)amino]phenyl] N-morpholin-4-ylcarbamate" . "(4S)-4-(7-phenylheptanoylamino)-5-[4-(phenylmethoxy)phenyl]pentanoic acid" . "(3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid" . "(2S)-2-amino-4-({[4-(carboxymethoxy)phenyl](hydroxy)methyl}(hydroxy)phosphoryl)butanoic acid" . "(1R,7S,9aS)-7-decyl-octahydro-1H-quinolizin-1-ol" . "(1R,7R,9aS)-7-decyl-octahydro-1H-quinolizin-1-ol" . "[(4-{4-[(4-bromophenyl)carbonyl]phenyl}phenyl)methyl](methyl)(prop-2-en-1-yl)amine hydrochloride" . "(4-bromophenyl)-[2-fluoro-4-[6-(methyl-prop-2-enylamino)hexoxy]phenyl]methanone" . "2-[4-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]butyl-ethylamino]ethanol" . "4-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]-N-methyl-N-prop-2-enylbutan-1-amine" . "4-(trifluoromethyl)phenyl N-methyl-N-{2-[(1r,4r)-4-{[ethyl(2-hydroxyethyl)amino]methyl}cyclohexyl]ethyl}carbamate" . "4-chlorophenyl N-methyl-N-[(1r,4r)-4-{5-[methyl(propyl)amino]pent-1-yn-1-yl}cyclohexyl]carbamate" . "4-chlorophenyl N-methyl-N-[(1r,4r)-4-{5-[ethyl(2-hydroxyethyl)amino]pent-1-yn-1-yl}cyclohexyl]carbamate" . "4-(trifluoromethyl)phenyl N-methyl-N-[(1s,4r)-4-{5-[methyl(prop-2-en-1-yl)amino]pentyl}cyclohexyl]carbamate" . "4-chlorophenyl N-methyl-N-{2-[(1r,4r)-4-[(4-hydroxypiperidin-1-yl)carbonyl]cyclohexyl]ethyl}carbamate" . "N-methyl-N-[(1s,4r)-4-{5-[(2-hydroxyethyl)(methyl)amino]pentyl}cyclohexyl]-4-(trifluoromethyl)benzene-1-sulfonamide" . "2,2-dimethyl-3-[(3E,7E,11E,15E,19Z)-3,7,12-trimethyl-16-prop-2-enylhenicosa-3,7,11,15,19-pentaenyl]oxirane" . "2,2-dimethyl-3-[(3E,7E,11E)-3,7,12-trimethyl-14-(6-methylhept-5-en-2-ylsulfanyl)tetradeca-3,7,11-trienyl]oxirane" . "2,2-dimethyl-3-[(3E,11E)-3,7,12-trimethyl-15-[(4-methylpent-3-en-1-yl)sulfanyl]pentadeca-3,7,11-trien-1-yl]oxirane" . "ethyl(3-phenylprop-2-yn-1-yl)[(3-{[4-(thiophen-3-yl)thiophen-2-yl]methoxy}phenyl)methyl]amine" . "1-[2,6-bis(propan-2-yl)phenyl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]urea" . "1-[3-amino-2,6-bis(propan-2-yl)phenyl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]urea hydrochloride" . "1-[4-amino-2,6-bis(propan-2-yl)phenyl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]urea hydrochloride" . "1-[2,4-bis(propan-2-yl)-1,2-dihydropyridin-3-yl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]urea hydrochloride" . "1-[4-(aminomethyl)-2,6-bis(propan-2-yl)phenyl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]urea hydrochloride" . "3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]-1-{4-[(dimethylamino)methyl]-2,6-bis(propan-2-yl)phenyl}urea hydrochloride" . "1-[4-amino-2,6-bis(propan-2-yl)phenyl]-3-{1-butyl-4-[3-(3-hydroxypropoxy)phenyl]-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl}urea" . "1-[4-(aminomethyl)-2,6-bis(propan-2-yl)phenyl]-3-{1-butyl-4-[3-(3-hydroxypropoxy)phenyl]-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl}urea hydrochloride" . "1-[3-amino-2,6-bis(propan-2-yl)phenyl]-3-{1-butyl-4-[3-(2-hydroxyethoxy)phenyl]-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl}urea hydrochloride" . "1-[4-amino-2,6-di(propan-2-yl)phenyl]-3-[1-butyl-4-[3-(4-methylpentoxy)phenyl]-2-oxo-1,8-naphthyridin-3-yl]urea" . "1-[4-amino-2,6-bis(propan-2-yl)phenyl]-3-(1-butyl-2-oxo-4-{3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-1,2-dihydro-1,8-naphthyridin-3-yl)urea dihydrochloride" . "1-[4-amino-2,6-bis(propan-2-yl)phenyl]-3-{1-butyl-4-[3-(3-cyclohexylpropoxy)phenyl]-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl}urea dihydrochloride" . "2-[3-[2-[5-ethyl-3,4-di(phenyl)pyrazol-1-yl]phenyl]phenoxy]acetic acid" . "(E)-4-[(2-methoxycarbonyl-5-thiophen-2-ylthiophen-3-yl)amino]-4-oxobut-2-enoic acid" . "(2S)-2-amino-4-{hydroxy[hydroxy(4-hydroxy-3-methoxy-5-nitrophenyl)methyl]phosphoryl}butanoic acid" . "1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2, 3-dihydroindol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone" . "5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one" . "(2S)-2-[2-[[1-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethoxy)indol-3-yl]methyl]phenoxy]propanoic acid" . "(2S)-2-[3-[[1-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethoxy)indol-3- yl]methyl]phenoxy]propanoic acid" . "(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol" . "N-[1-[(4-chlorophenyl)amino]-1-oxopropan-2-yl]oxy-3,5-bis(trifluoromethyl)benzamide" . "5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide" . "N-[4-[[3,5-bis(trifluoromethyl)phenyl]sulfamoyl]phenyl]-4-chlorobenzamide" . "N-(4-chlorophenyl)-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide" . "[3,5-bis(trifluoromethyl)benzoyl]-N-(4-chlorophenyl)piperidine-3-carboxamide" . "S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] hexadecanethioate" . "N-[3-[(1S,7S)-5-amino-4-thia-6-azabicyclo[5.1.0]oct-5-en-7-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide" . "4-(benzyloxy)phenol" . "4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one" . "2,4-dimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[6,5-d]pyrimidin-7-one" . "3-[[3-bromo-2-[2-(trifluoromethylsulfonylamino)phenyl]-1-benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethylimidazole-4-carboxamide" . "(5Z,8Z,11Z,14Z)-18-hydroxyicosa-5,8,11,14-tetraenoic acid" . "(19S)-10,19-diethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione" . "[[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate" . "(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol" . "N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide" . "3-(4-acetylbenzenesulfonyl)-1-cyclohexylurea" . "[(2R,3R,4S,6S)-3-hydroxy-6-[(2R,3S,4S,6S)-4-hydroxy-6-[(2R,3S,4S,6R)-4-hydroxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-4-yl] acetate" . "1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one" . "4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one" . "(4R)-4-ethylamino-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[4,5-e]thiazine-6-sulfonamide" . "pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate" . "1,3-bis(2-chloroethyl)-3-nitrosourea" . "N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-5-chloropyrimidine-2-carboxamide" . "1-(4-chlorobenzenesulfonyl)-3-propylurea" . "(2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol" . "4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one" . "4-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one" . "4,5-dichlorobenzene-1,3-disulfonamide" . "4-hydroxy-3-[(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-2H-chromen-2-one" . "4-ethylamino-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[5,4-b]thiopyran-2-sulfonamide" . "6-[5-acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[5-(6-carboxy-4,5-dihydroxy-3-sulfooxyoxan-2-yl)oxy-6-(hydroxymethyl)-3-(sulfoamino)-4-sulfooxyoxan-2-yl]oxy-4-hydroxy-5-sulfooxyoxane-2-carboxylic acid" . "4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl}-2-fluoro-N-methylbenzamide" . "6-ethoxy-1,3-benzothiazole-2-sulfonamide" . "2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide" . "[4-[bis(1,3-benzodioxol-5-yl)methyl]piperidin-1-yl]-(1,2,4-triazol-1-yl)methanone" . "(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one" . "(3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one" . "2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid" . "(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide" . "(2R,3S,4S,5R,6R)-3-{[(2R,3R,4R,5R,6R)-5-{[(2R,3R,4R,5S,6S)-6-carboxy-5-{[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfoamino)-6-[(sulfooxy)methyl]oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]oxy}-3-(sulfoamino)-4-(sulfooxy)-6-[(sulfooxy)methyl]oxan-2-yl]oxy}-4-hydroxy-6-{[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-[(sulfooxy)methyl]oxan-3-yl]oxy}-5-(sulfooxy)oxane-2-carboxylic acid" . "2-[4-[4-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]acetic acid" . "5-(4-methylphenoxy)-1,3-dioxoisoindole-2-carboxylic acid" . "dodecoxy-dihydroxy-sulfanylidenephosphorane" . "3-ethyl-4-methyl-2-oxo-N-(2-{4-[({[(1r,4r)-4-methylcyclohexyl]carbamoyl}amino)sulfonyl]phenyl}ethyl)-2,5-dihydro-1H-pyrrole-1-carboxamide" . "N-[2-(4-{[(cyclohexylcarbamoyl)amino]sulfonyl}phenyl)ethyl]-5-methylpyrazine-2-carboxamide" . "hydroxyurea" . "(1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-1,5,7,9,9-pentamethyl-14-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-13-azabicyclo[14.1.0]heptadecane-8,12-dione" . "sodium;[(3S)-1-bromo-4-hexadecanoyloxy-3-hydroxybutyl]-hydroxyphosphinate" . "5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide" . "(2S)-2-(2-oxopyrrolidin-1-yl)butanamide" . "4-methoxyphenol" . "N-(3-methyl-5-sulfamoyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene)acetamide" . "2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate" . "[1-amino-3-(3-octylphenyl)cyclobutyl]methyl dihydrogen phosphate" . "N-[(2S)-1-[4-[(3,4-dichlorophenyl)-dimethylidene-$l^{6}-sulfanyl]piperazin-1-yl]propan-2-yl]-7-methylthieno[3,2-d]pyrimidin-4-amine" . "[(2S)-2-hydroxy-3-octadecoxypropyl] dihydrogen phosphate" . "2-(morpholin-4-yl)ethyl (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate" . "(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid" . "(2R)-3-phenyl-2-{[(1r,4r)-4-(propan-2-yl)cyclohexyl]formamido}propanoic acid" . "2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione" . "[(2S)-2,3-dioctoxypropoxy]-dihydroxy-sulfanylidene-$l^{5}-phosphane" . "[(2S)-2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate" . "(2S)-2-[[4-[3-[[(1R)-1-(4-chloro-3-methylphenyl)ethyl]amino]phenyl]-2,6-dimethylbenzoyl]amino]propanoic acid" . "4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline" . "(2S)-2-amino-4-{[(1R)-2-{[(2R)-2-[(4S)-4-amino-4-carboxybutanamido]-2-[(carboxymethyl)carbamoyl]ethyl]disulfanyl}-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}butanoic acid" . "7-[[(2S)-2,6-bis(2-methoxyethoxycarbonylamino)hexanoyl]amino]heptoxy-methylphosphinic acid" . "(2R)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[4,5-e]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid" . "2-phenyl-2,3-dihydro-1H-indene-1,3-dione" . "4-hydroxy-3-(1-phenylpropyl)-2H-chromen-2-one" . "(2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl]amino]pentanedioic acid" . "2-ethoxy-4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoic acid" . "1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide" . "(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one" . "1-[[4-(3-fluorophenyl)-1-(2-methoxy-4-nitrophenyl)sulfonylpyrrolidin-3-yl]methyl]-4-pyridin-2-ylpiperazine" . "(Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide" . "2-amino-6,7-dihydro-3H-purine-6-thione" . "1-(azepan-1-yl)-3-(4-methylbenzenesulfonyl)urea" . "3-butyl-1-(4-methylbenzenesulfonyl)urea" . "[(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyl-5,5a,8a,8b-tetrahydrodi[1,3]dioxolo[4,5-a:5',3'-d]pyran-3a-yl]methyl sulfamate" . "N-hydroxy-N'-phenyloctanediamide" . "4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one" . "(1'-but-3-enyl-5-chlorospiro[2H-indole-3,4'-piperidine]-1-yl)-(2,6-difluorophenyl)methanone" . "4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(6-fluoro-1H-indazol-4-yl)methyl]-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine" . "10-[(1-methylpyrrolidin-3-yl)methyl]-10H-phenothiazine" . "6-[4-(2-methylsulfanylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide" . "N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(2-methylpropyl)phenyl]sulfonylbenzamide" . "5-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine" . "(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-ethoxy-3-[[4-[2-(5-oxo-2H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate" . "2-ethoxy-3-[[4-[2-(5-oxo-2H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid" . "2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid" . "2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one" . "(2S,4S)-4-(4-carboxyphenoxy)-1-[(2S)-2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid" . "(2S,4S)-4-(4-carboxyphenoxy)-1-[(2R)-2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid" . "disodium;5-[2-[4-[[4-butyl-3-[[4-[2-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)phenyl]phenyl]methyl]-1H-imidazol-3-ium-5-yl]methyl]phenyl]phenyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene;bromide" . "1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one" . "(2S)-2-[[4-[2-(5-oxo-2H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl-propanoylamino]pentanoic acid" . "5-butyl-1-[[4-(2-methylphenyl)phenyl]methyl]imidazole-2-carboxylic acid" . "butyl N-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate" . "5-hydroxy-3-(4-hydroxyphenyl)-7-methoxychromen-4-one" . "5-(phenylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide" . "(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol" . "12-Hydroxydodecanoic acid" . "(5Z,8Z,11Z,14Z)-16-hydroxyicosa-5,8,11,14-tetraenoic acid" . "N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloro-1-benzothiophene-2-carboxamide" . "2-[4-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-c]pyrrol-1-yl]phenyl]phenyl]pyridazin-3-one" . "4-benzyl-2-(naphthalen-1-yl)-1,2,4-thiadiazolidine-3,5-dione" . "4-tert-butyl-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide" . "(3S)-3-[2-(difluoromethyl)pyridin-4-yl]-7-fluoro-3-[3-(pyrimidin-5-yl)phenyl]-2,3-dihydro-1H-isoindol-1-amine" . "N-[(4-cyanophenyl)methyl]-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide" . "(4S)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine" . "4-(4,5-dihydro-1,2-oxazol-3-yloxy)but-2-ynyl-trimethylazanium" . "3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide" . "5-[(1R)-3-amino-4-fluoro-1-{3-[5-(prop-1-yn-1-yl)pyridin-3-yl]phenyl}-1H-isoindol-1-yl]-1-ethyl-3-methyl-1,2-dihydropyridin-2-one" . "N,N-dimethyl-2-[(2R)-6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine" . "4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-cyclopropylbenzamide" . "N-{3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide" . "(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one" . "(1R,3S,4S,5R)-3-[(4-amino-3-fluoro-5-{[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy}phenyl)methyl]-5-{[(3-tert-butylphenyl)methyl]amino}-4-hydroxy-1λ4-thian-1-one" . "[(2R,5S,8R,9S,10S,13S,14S,17S)-2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] propanoate" . "(8R,9S,10R,13S,14S,17S)-17-ethyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol" . "6-(3-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine" . "(8R,9S,10R,13S,14S,17S)-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one" . "(2R)-N-[(2S,3R)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridine]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl]-2-methoxypropanamide" . "(2R)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid" . "ethyl 6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylate" . "N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide" . "(2S)-2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid" . "N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-[methyl(methylsulfonyl)amino]-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide" . "1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethyl]benzene" . "2-(4-methoxyphenyl)indene-1,3-dione" . "3-(3-{2-[(4Z)-1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]hydrazin-1-yl}-2-hydroxyphenyl)benzoic acid" . "3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE" . "5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one" . "N-[3-[(3R)-5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloro-3-methylpyridine-2-carboxamide" . "3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione" . "2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide" . "3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine" . "2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(1-methylimidazol-4-yl)- 7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine" . "4-methyl-N-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-thiophen-2-yl-1,3-thiazol-2-yl]cyclohexane-1-carboxamide" . "(2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(1S)-3-methyl-2-oxo-4,5-dihydro-1H-3-benzazepin-1-yl]amino]-1-oxopropan-2-yl]butanamide" . "5-chloro-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide" . "O3-[2-[(4-azidobenzoyl)amino]ethyl] O5-ethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate" . "O3-ethyl O5-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate" . "2-[[(E)-octadec-9-enoyl]amino]ethyl dihydrogen phosphate" . "[[(Z)-octadec-9-enoyl]oxy-[(Z)-octadec-9-enoyl]sulfanylphosphoryl] (Z)-octadec-9-enoate" . "sodium;[(3R,4S)-3-[(Z)-octadec-9-enoyl]oxyoxan-4-yl]oxy-sulfidophosphinic acid" . "[(3S)-1-bromo-4-hexadecanoyloxy-3-hydroxybutyl]phosphonic acid" . "[(1R,3S)-1-bromo-4-hexadecanoyloxy-3-hydroxybutyl]phosphonic acid" . "[(1S,3S)-1-bromo-4-hexadecanoyloxy-3-hydroxybutyl]phosphonic acid" . "2-hydroxy-6-[(8E,11E)-pentadeca-8,11,14-trien-1-yl]benzoic acid" . "(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione" . "(1S,5R,7R)-3-[(3,4-dihydroxyphenyl)(hydroxy)methylidene]-6,6-dimethyl-1-[(2S)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-5,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione" . "(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate" . "5-hydroxy-2-methyl-1,4-dihydronaphthalene-1,4-dione" . "4-[(4Z)-4-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid" . "(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide" . "(1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-bis(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone" . "pyridin-3-ylmethyl N-({4-[(2-aminophenyl)carbamoyl]phenyl}methyl)carbamate" . "N-(2-aminophenyl)-4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzamide" . "2-propylpentanoic acid" . "N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide" . "N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide" . "1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-ylpyridin-3-yl)indole-4-carboxamide" . "6-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylindole-4-carboxamide" . "(8R,9S,10R,13S,14S)-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione" . "N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine" . "2-cyclohexyl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine" . "methyl 2-benzamido-1-(3-phenylpropyl)benzimidazole-5-carboxylate" . "2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine" . "(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid" . "2-(2-aminopyrimidin-4-yl)-4-(2,4-dichlorophenyl)-1,3-thiazole-5-carboxamide" . "1-[3-[[(2R,3S,4R,5R)-5-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]propyl]-3-(4-tert-butylphenyl)urea" . "N-cyclohexyl-3-[2-(3,4-dichlorophenyl)ethylamino]-N-[2-[2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethylamino]ethyl]propanamide" . "(2E)-3-[(1R,2R,4aR,5R,7R,8R,8aS)-5,7-dihydroxy-3,4a,8-trimethyl-2-[(2E,5S,7R,8S,9S)-5,7,9-trihydroxy-8,10-dimethylundec-2-en-2-yl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-2-methylprop-2-enoic acid" . "3-{4-[(1R,2S)-2-aminocyclopropyl]phenyl}phenol" . "(2R)-4-{3-[(1S,2R)-2-aminocyclopropyl]phenoxy}-N-benzyl-2-(phenylformamido)butanamide" . "3-(4-oxo-1H-quinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide" . "3-(N',N'-dimethylhydrazinecarbonyl)propanoic acid" . "2-(4-methylphenyl)-1,2-benzothiazol-3-one" . "3-{[2-(pyridin-2-yl)-6-(2,3,4,5-tetrahydro-1H-3-benzazepin-3-yl)pyrimidin-4-yl]amino}propanoic acid" . "4-hydroxy-7-{[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoyl]amino}naphthalene-2-sulfonic acid" . "2-(9H-xanthen-9-ylsulfanyl)-N-{2-[2-(9H-xanthen-9-ylsulfanyl)propanamido]ethyl}propanamide" . "(2S)-2-amino-N-[(3-{5-[5-(1,3-benzothiazol-7-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)-1H-pyrazol-1-yl}phenyl)methyl]propanamide" . "(2-{4-[2-(2,6-dimethoxyphenyl)-4-methyl-1H-1,3-benzodiazol-6-yl]piperidin-1-yl}ethyl)(methyl)amine" . "3-(1,2,3-benzothiadiazol-6-yl)-1-[2-(cyclohex-1-en-1-yl)ethyl]urea" . "5-[3-(1-Methylcyclopropyl)propyl]-2H-pyrano[2,3-d]pyrimidine-2,4,7(1H,3H)-trione" . "8-chloro-3-pentyl-7H-purine-2,6-dione" . "2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide" . "2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-1,4-dihydroquinazolin-4-one" . "3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide" . "dimethyl (E)-but-2-enedioate" . "N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide" . "1,2-benzoxazol-3-ylmethanesulfonamide" . "(2S,4R)-4-[(3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-ethyl-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylpentanoic acid" . "N-(4-chloro-2-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine" . "2-(2-oxo-1-phenyl-5-pyridin-2-ylpyridin-3-yl)benzonitrile" . "[(3S,3aS,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[2,3-d]furan-3-yl] nitrate" . "[(3R,3aS,6S,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[2,3-d]furan-3-yl] nitrate" . "1,3-dinitrooxypropan-2-yl nitrate" . "[({[(2S,3R,4S,5R,6R)-4,5-bis({[(dihydroxyalumanyl)oxy]sulfonyl}oxy)-6-[({[(dihydroxyalumanyl)oxy]sulfonyl}oxy)methyl]-2-{[(2R,3S,4S,5R)-3,4,5-tris({[(dihydroxyalumanyl)oxy]sulfonyl}oxy)-2-[({[(dihydroxyalumanyl)oxy]sulfonyl}oxy)methyl]oxolan-2-yl]oxy}oxan-3-yl]oxy}sulfonyl)oxy]alumanediol" . "N-hydroxy-4-[[(2R)-3-oxo-2-(thiophen-2-ylmethyl)-2,4-dihydroquinoxalin-1-yl]methyl]benzamide" . "tert-butyl N-[(2S)-1-(cyclopentylamino)-8-(hydroxyamino)-1,8-dioxooctan-2-yl]carbamate" . "N-(1,4-dioxonaphthalen-2-yl)benzamide" . "(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one" . "(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one" . "[(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate" . "(8S,10S)-8-acetyl-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione" . "methyl (1R,15S,17R,18R,19S,20S)-18-methoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate" . "N-[(1R,5S,6R)-3-azabicyclo[3.1.0]hexan-6-ylmethyl]-2-hydroxy-N-methyl-2,2-diphenylacetamide" . "(8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol" . "(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one" . "[2-[(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-acetyloxy-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate" . "(2S,5R,6R)-6-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" . "(8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione" . "7-(2,3-dihydroxypropyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione" . "(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol" . "[(3S,8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate" . "5-[4-(4-cyanobut-1-yn-1-yl)phenyl]-1-(2,4-dichlorophenyl)-4-(hydroxymethyl)-N-(morpholin-4-yl)-1H-pyrazole-3-carboxamide" . "3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide" . "[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate" . "2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine" . "(6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one" . "[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate" . "(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one" . "(4R,4aR,7aR,12bS)-9-hydroxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one" . "(7S,9S)-9-acetyl-7-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,9,11-trihydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione" . "chloromethyl (8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate" . "(6S,8S,9S,10R,11S,13S,14S,17S)-17-acetyl-11-hydroxy-6,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one" . "(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol" . "(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one" . "(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one" . "(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(2-imino-6-methoxy-3,9-dihydro-2H-purin-9-yl)oxolane-3,4-diol" . "[(3E,8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate" . "(1S,3aS,3bR,5aS,9aS,9bS,11aS)-1-hydroxy-1,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,6,9,9b,10,11-dodecahydroindeno[4,5-h]isochromen-7-one" . "(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one" . "3,7-dimethyl-1-(5-oxohexyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione" . "(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione" . "(8R,9S,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol" . "methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate" . "(8S,9S,10R,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-17-propanoyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one" . "[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] propanoate" . "propan-2-yl (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-en-1-yl]cyclopentyl]hept-5-enoate" . "(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid" . "2-N-(3,5-dichlorophenyl)-4-N-[4-(dimethylamino)cyclohexyl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidine-2,4-diamine" . "N-(3-sulfopropyl)ethanimidic acid" . "N-(3-acetyl-4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)butanimidic acid" . "N-{1-[2-(4-ethyl-5-oxo-4,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl}-N-phenylpropanamide" . "N-{3-[(4-imino-6,7-dimethoxy-3,4-dihydroquinazolin-2-yl)(methyl)amino]propyl}oxolane-2-carboximidic acid" . "(2S)-N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[4-[(diaminomethylideneamino)methyl]phenyl]acetyl]amino]pentanoyl]amino]-3,3-dimethylbutanamide" . "dimethyl(2-{5-[(pyrrolidine-1-sulfonyl)methyl]-1H-indol-3-yl}ethyl)amine" . "8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine" . "2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine" . "2-amino-5-oxo-7-(propan-2-yl)-5H-chromeno[2,3-b]pyridine-3-carboxylic acid" . "6,7-dichloro-3H,5H-imidazo[2,1-b]quinazolin-2-ol" . "6-chloro-2-(1H-indol-3-yl)-4-phenylquinoline" . "ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenylpiperidine-4-carboxylate" . "N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline" . "2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine" . "methyl[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]amine" . "11-(1-methylpiperidin-4-ylidene)-5,6-dihydrobenzo[1,2]cyclohepta[3,4-b]pyridine" . "6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-9H-purine" . "4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)-1,2-dihydrophthalazin-1-one" . "3-benzyl-1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide" . "2-(diethylamino)ethyl 4-amino-3-butoxybenzoate" . "3-(diethylcarbamoyl)-9,10-dimethoxy-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-yl acetate" . "3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide" . "2-(1H-pyrazol-3-yl)ethan-1-amine" . "1-{bicyclo[2.2.1]hept-5-en-2-yl}-1-phenyl-3-(piperidin-1-yl)propan-1-ol" . "[2-hydroxy-3-(4-{[2-(propan-2-yloxy)ethoxy]methyl}phenoxy)propyl](propan-2-yl)amine" . "4,6-dihydroxy-5-(2-methylpropyl)-5-(prop-2-en-1-yl)-2,5-dihydropyrimidin-2-one" . "[(2-bromophenyl)methyl](ethyl)dimethylazanium" . "2-[2-amino-3-(4-bromobenzoyl)phenyl]acetic acid" . "{2-[(4-bromophenyl)(phenyl)methoxy]ethyl}dimethylamine" . "[3-(4-bromophenyl)-3-(pyridin-2-yl)propyl]dimethylamine" . "2-(1H-indol-3-yl)-6-nitro-4-phenylquinoline" . "1-[(4-tert-butylphenyl)methyl]-4-[(4-chlorophenyl)(phenyl)methyl]piperazine" . "2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one" . "4-(methanesulfonyloxy)butyl methanesulfonate" . "5-(butan-2-yl)-5-ethyl-4,6-dihydroxy-2,5-dihydropyrimidin-2-one" . "{2-[(4-chlorophenyl)(pyridin-2-yl)methoxy]ethyl}dimethylamine" . "1-(10-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl}-10H-phenothiazin-2-yl)propan-1-one" . "2-(6-chloro-9H-carbazol-2-yl)propanoic acid" . "5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydroquinolin-2-ol" . "4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid" . "2-(diethylamino)ethyl 4-amino-2-chlorobenzoate" . "1-[2-chloro-1,2-bis(4-methoxyphenyl)ethenyl]-4-methoxybenzene" . "2-chloro-5-(1,3-dihydroxy-1H-isoindol-1-yl)benzene-1-sulfonamide" . "6-[4-(1-cyclohexyl-1H-1,2,3,4-tetrazol-5-yl)butoxy]-1,2,3,4-tetrahydroquinolin-2-one" . "7-chloro-1-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2,4-dione" . "4-[7-bromo-1-[(2,5-difluorophenyl)methyl]benzimidazol-5-yl]sulfonyl-5-methylsulfanylthiophene-2-carboximidamide" . "methyl (2S)-2-(2-chlorophenyl)-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}acetate" . "1-(diphenylmethyl)-4-methylpiperazine" . "3-(dibenzo[1,2-a:1',2'-e][7]annulen-11-ylidene)-N,N-dimethylpropan-1-amine" . "2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate" . "N,N-bis(2-chloroethyl)-2-oxo-1,3,2$l^{5}-oxazaphosphinan-2-amine" . "1-(2-methylphenyl)-4-(2-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)piperazine" . "2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane" . "8-chloro-11-piperidin-4-ylidene-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine" . "4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol" . "2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboximidic acid" . "4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol" . "2-(diethylamino)-1-phenylpropan-1-one" . "5-(2,4-difluorophenyl)-2-hydroxybenzoic acid" . "ethyl 1-methyl-4-phenylpiperidine-4-carboxylate" . "1,1-diphenyl-4-(piperidin-1-yl)butan-1-ol" . "ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate" . "4-(diphenylmethoxy)-1-methylpiperidine" . "2-[(2,2-dimethylpropanoyl)oxy]-4-[1-hydroxy-2-(methylamino)ethyl]phenyl 2,2-dimethylpropanoate" . "2-[4-oxo-3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]phthalazin-1-yl]acetic acid" . "4-[bis(propan-2-yl)amino]-2-phenyl-2-(pyridin-2-yl)butanimidic acid" . "N,N-diethyl[(diethylcarbamothioyl)disulfanyl]carbothioamide" . "1-ethyl-4-[2-(morpholin-4-yl)ethyl]-3,3-diphenylpyrrolidin-2-one" . "2-[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]-6,7-dimethoxy-3,4-dihydroquinazolin-4-imine" . "4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxamide" . "dimethyl({2-[1-phenyl-1-(pyridin-2-yl)ethoxy]ethyl})amine" . "1-(4-fluorophenyl)-4-[4-(2-hydroxy-1H-1,3-benzodiazol-1-yl)-1,2,3,6-tetrahydropyridin-1-yl]butan-1-one" . "1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one" . "1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1H-1,3-benzodiazole" . "2-chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane" . "(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile" . "methyl 3-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)propanoate" . "2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid" . "(1E)-1-chloro-3-ethylpent-1-en-4-yn-3-ol" . "5-hydroxy-2-(3-prop-2-ynoxyphenyl)chromen-4-one" . "diethyl[1-(10H-phenothiazin-10-yl)propan-2-yl]amine" . "3-ethyl-5-hydroxy-3-methyl-3,4-dihydro-2H-pyrrol-2-one" . "1-ethyl-2-hydroxy-4-phenyl-4,5-dihydro-1H-imidazol-5-one" . "(1-hydroxy-1-phosphonoethyl)phosphonic acid" . "2-{1,8-diethyl-1H,3H,4H,9H-pyrano[3,4-b]indol-1-yl}acetic acid" . "propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate" . "2-(piperidin-1-yl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate" . "7-chloro-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one" . "2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine" . "6-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole" . "[(2-hydroxy-5-oxo-4,4-diphenyl-4,5-dihydro-1H-imidazol-1-yl)methoxy]phosphonic acid" . "(3R)-3-(methylamino)-2,3,4,9-tetrahydro-1H-carbazole-6-carboximidic acid" . "3-ethyl-6-hydroxy-3-phenyl-2,3,4,5-tetrahydropyridin-2-one" . "1-{1,4-dioxaspiro[4.5]decan-2-ylmethyl}guanidine" . "5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide" . "1-[2-(azocan-1-yl)ethyl]guanidine" . "7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one" . "1-(cyclohexylamino)propan-2-yl benzoate" . "1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide" . "2-({4-[(7-chloroquinolin-4-yl)amino]pentyl}(ethyl)amino)ethan-1-ol" . "2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)ethan-1-ol" . "N-(4-{4-[ethyl(heptyl)amino]-1-hydroxybutyl}phenyl)methanesulfonamide" . "3-(2-chloroethyl)-2-[(2-chloroethyl)amino]-1,3,2λ5-oxazaphosphinan-2-one" . "3-amino-5-(pyridin-4-yl)pyridin-2-ol" . "4-[2-(2-amino-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-N-pyridin-2-ylbenzenesulfonamide" . "4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide" . "N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide" . "4-{1-hydroxy-2-[(propan-2-yl)amino]butyl}benzene-1,2-diol" . "10-(1-methylpiperidin-4-ylidene)-5H-benzo[1,2]cyclohepta[3,4-b]thiophen-4-one" . "1-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methylbenzimidazole-2-thione" . "2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzene-1-carboximidic acid" . "2-{[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanesulfinyl}-1H-1,3-benzodiazole" . "(6S)-6-phenyl-2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazole" . "6-hydroxy-8-[(1R)-1-hydroxy-2-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one" . "(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboximidic acid" . "(3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-yl acetate" . "(2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanimidic acid" . "2-chloro-N-(cyclohexyl-C-hydroxycarbonimidoyl)-N-nitrosoethan-1-amine" . "methyl(2-methyl-1-phenylpropan-2-yl)amine" . "4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide" . "ethyl 4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carboxylate" . "bis(2-chloroethyl)(methyl)amine" . "2-[(2,6-dichloro-3-methylphenyl)amino]benzoic acid" . "4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1$l^{6},2-benzothiazine-3-carboxamide" . "4-ethyl-2-hydroxy-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-5-one" . "N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboximidic acid" . "({2-[(C-hydroxycarbonimidoyloxy)methyl]-2-methylpentyl}oxy)carboximidic acid" . "9H-purine-6-thiol" . "5-[2-[[ethyl-[(3R)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole" . "10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine" . "1,3-dimethyl-3-phenylpyrrolidine-2,5-dione" . "3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol" . "5,5-diethyl-6-hydroxy-3-methyl-2,3,4,5-tetrahydropyrimidine-2,4-dione" . "1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine" . "5-(hex-3-yn-2-yl)-6-hydroxy-3-methyl-5-(prop-2-en-1-yl)-2,3,4,5-tetrahydropyrimidine-2,4-dione" . "2,2-dichloro-1,1-difluoro-1-methoxyethane" . "6-chloro-3-(chloromethyl)-2-methyl-1,1-dioxo-3,4-dihydro-1$l^{6},2,4-benzothiadiazine-7-sulfonamide" . "methyl 2-phenyl-2-(piperidin-2-yl)acetate" . "dimethyl[2-methyl-3-(10H-phenothiazin-10-yl)propyl]amine" . "5,5-diethyl-6-hydroxy-3-methyl-2,3,4,5-tetrahydropyridin-4-one" . "4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}-2,3,6-trimethylphenyl acetate" . "2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]ethanimidic acid" . "N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide" . "1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-dihydroanthracene-9,10-dione" . "(1R)-2-(3-{[(4E)-8-{3-[(1R)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propoxy}-8-oxooct-4-enoyl]oxy}propyl)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium" . "N-{10-[3-(morpholin-4-yl)propanoyl]-10H-phenothiazin-2-yl}ethoxycarboximidic acid" . "4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-methoxybenzoate" . "4-(6-methoxynaphthalen-2-yl)butan-2-one" . "1-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2-{[2-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxyethyl]amino}ethan-1-ol" . "1-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-ethyl-4-(2-phenoxyethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one" . "dimethyl[(4-{[(2-{[(E)-1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}-1,3-thiazol-2-yl)methyl]amine" . "2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid" . "5-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,3-diol" . "dimethyl({2-[(2-methylphenyl)(phenyl)methoxy]ethyl})amine" . "3-(diphenyl-1,3-oxazol-2-yl)propanoic acid" . "7-chloro-5-phenyl-3H-1,4-benzodiazepine-2,3-diol" . "5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide" . "{2-hydroxy-3-[2-(prop-2-en-1-yloxy)phenoxy]propyl}(propan-2-yl)amine" . "(1-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate" . "{2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxy]ethyl}diethylmethylazanium" . "3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one" . "(3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid" . "6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole" . "5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione" . "benzyl(methyl)(prop-2-yn-1-yl)amine" . "tert-butyl[(2S)-3-(2-cyclopentylphenoxy)-2-hydroxypropyl]amine" . "(2S)-2-amino-3-methyl-3-sulfanylbutanoic acid" . "1-[(C-hydroxycarbonimidoyl)imino]-2-phenylethan-1-ol" . "10-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propyl]-N,N-dimethylphenothiazine-2-sulfonamide" . "(2-phenylethyl)hydrazine" . "dimethyl[3-phenyl-3-(pyridin-2-yl)propyl]amine" . "benzyl(2-chloroethyl)(1-phenoxypropan-2-yl)amine" . "2-methyl-1-phenylpropan-2-amine" . "4-butyl-1,2-diphenylpyrazolidine-3,5-dione" . "3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one" . "6-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)pyridin-3-ol" . "4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide" . "4-[2-(dipropylamino)ethyl]-3H-indol-2-ol" . "6-chloro-2-methyl-1,1-dioxo-3-(2,2,2-trifluoroethylsulfanylmethyl)-3,4-dihydrobenzo[e][1,2,4]thiadiazine-7-sulfonamide" . "7-chloro-1-(cyclopropylmethyl)-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one" . "N-(2-methylphenyl)-2-(propylamino)propanimidic acid" . "2,6-di-tert-butyl-4-({2-[(3,5-di-tert-butyl-4-hydroxyphenyl)sulfanyl]propan-2-yl}sulfanyl)phenol" . "4-[(2-methylhydrazin-1-yl)methyl]-N-(propan-2-yl)benzamide" . "2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine" . "1-cyclohexyl-1-phenyl-3-(pyrrolidin-1-yl)propan-1-ol" . "dimethyl[3-(10H-phenothiazin-10-yl)propyl]amine" . "dimethyl[1-(10H-phenothiazin-10-yl)propan-2-yl]amine" . "2-(diethylamino)ethyl 3-amino-4-propoxybenzoate" . "1-{10-[2-(dimethylamino)propyl]-10H-phenothiazin-2-yl}propan-1-one" . "3-(11H-dibenzo[1,2-a:1',2'-e][7]annulen-11-yl)-N-methylpropan-1-amine" . "3-[1-[(4-chlorophenyl)methyl]-5-[3-fluoro-4-(2-methylphenyl)phenyl]-3-methylindol-2-yl]-2,2-dimethylpropanoic acid" . "(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol" . "pyrazine-2-carboximidic acid" . "7-chloro-5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,4-benzodiazepine-2-thione" . "7-chloro-2-ethyl-4-hydroxy-1,2-dihydroquinazoline-6-sulfonamide" . "1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane" . "2-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methanesulfinyl}-1H-1,3-benzodiazole" . "N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl}ethanimidic acid" . "methyl 1-(3-methoxy-3-oxopropyl)-4-(N-phenylpropanamido)piperidine-4-carboxylate" . "4-(2-{[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)phenol" . "N-(4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}phenyl)methanesulfonamide" . "2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid" . "7-chloro-3-hydroxy-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one" . "3-methyl-4-oxo-3H,4H-imidazo[4,3-d][1,2,3,5]tetrazine-8-carboxamide" . "6,7-dimethoxy-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-3,4-dihydroquinazolin-4-imine" . "(4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]chromene-2,8-dione" . "2-(1,3-thiazol-4-yl)-1H-1,3-benzodiazole" . "4,6-dihydroxy-5-(pentan-2-yl)-5-(prop-2-en-1-yl)-2,5-dihydropyrimidine-2-thione" . "2-(ethylsulfanyl)-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine" . "5-[(2-chlorophenyl)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine" . "5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine" . "2-amino-N-(2,6-dimethylphenyl)propanimidic acid" . "1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol" . "2-benzyl-4,5-dihydro-1H-imidazole" . "2-[1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetic acid" . "N-({4-[(3-methylphenyl)imino]-1,4-dihydropyridin-3-yl}sulfonyl)propane-2-carbamimidic acid" . "8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine" . "5-chloro-2-N-[1-(5-fluoropyridin-2-yl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine" . "6-chloro-3-(dichloromethyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide" . "1-cyclohexyl-1-phenyl-3-(piperidin-1-yl)propan-1-ol" . "trimethyl-1,3-oxazolidine-2,4-dione" . "3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N,2-trimethylpropan-1-amine" . "5-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide" . "6-amino-2-sulfanylhexanoic acid" . "N-benzyl-N-[2-(dimethylamino)ethyl]pyridin-2-amine" . "N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide" . "2-{2-ethoxy-5-[(4-ethylpiperazin-1-yl)sulfonyl]phenyl}-5-methyl-7-propyl-1H,4H-imidazo[4,3-f][1,2,4]triazin-4-one" . "1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol" . "2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one" . "[(1-ethynylcyclohexyl)oxy]methanimidic acid" . "1-hydrazinylidene-1,2-dihydrophthalazine" . "2-(6-hydroxy-2-oxo-2,3,4,5-tetrahydropyridin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione" . "2-amino-2-(hydroxymethyl)propane-1,3-diol" . "9-methyl-3-(2H-1,2,3,4-tetrazol-5-yl)-4H-pyrido[1,2-a]pyrimidin-4-one" . "6-hydroxy-4-[(2S)-2-(5-hydroxy-3-oxo-1,2,3,6-tetrahydropyrazin-1-yl)propyl]-2,3,4,5-tetrahydropyrazin-2-one" . "4-amino-2-(6-hydroxy-2-oxo-2,3,4,5-tetrahydropyridin-3-yl)-2,3-dihydro-1H-isoindol-1-one" . "2-[ethyl-[3-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]oxypropyl]amino]ethyl dihydrogen phosphate" . "1-(4-hydroxyphenyl)prop-2-en-1-one" . "[(3-methoxythiophen-2-yl)methyl]({2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]ethyl})amine" . "ethyl 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[4,5-e]pyridine-5-carboxylate" . "(4R)-4-cyclopropyl-7,8-difluoro-5-[4-(trifluoromethyl)benzenesulfonyl]-1H,4H,5H-pyrazolo[4,3-c]quinoline" . "2-[3-(18F)fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol" . "2,2-dimethyl-N-[(10S)-9-oxo-8-azatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-10-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide" . "1-[4-(3,4-dichlorophenyl)-3-fluorophenyl]cyclopropane-1-carboxylic acid" . "(2R)-2-(3-fluoro-4-phenylphenyl)propanoic acid" . "3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid" . "(2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-methylamino-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide" . "4-[(E)-2-[6-(2-{2-[2-(18F)fluoroethoxy]ethoxy}ethoxy)pyridin-3-yl]ethenyl]-N-methylaniline" . "(2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide" . "2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-5-(trifluoromethyl)quinazolin-4-one" . "5-(4,4-dimethyl-2-sulfanylidene-2,4-dihydro-1H-3,1-benzoxazin-6-yl)-1-methyl-1H-pyrrole-2-carbonitrile" . "4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione" . "2-[4-[(Z)-4-chloro-1,2-di(phenyl)but-1-enyl]phenoxy]ethanol" . "(5S)-5-hydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide" . "1-{2-[(2,4-dimethylphenyl)sulfanyl]phenyl}piperazine" . "5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine" . "4-[(1R)-2-[(6-{2-[(2,6-dichlorophenyl)methoxy]ethoxy}hexyl)amino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol" . "di(phenyl)-[1-[2-(phenylmethoxy)ethyl]-1-azoniabicyclo[2.2.2]octan-4-yl]methanol" . "1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol" . "2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide" . "N,N-dimethyl-3-[(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)oxy]propan-1-amine" . "4-[[2-methyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanoyl]amino]adamantane-1-carboxamide" . "(3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one" . "(3R,5R)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid" . "ethyl 5-cyano-2-methyl-6-[4-(phenylmethylsulfonylcarbamoyl)piperidin-1-yl]pyridine-3-carboxylate" . "(2R)-1-(phenylmethyl)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)pyrrolidine-2-carboxamide" . "(3R)-7-hydroxy-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide" . "(4R,12aS)-N-[(2,4-difluorophenyl)methyl]-7-hydroxy-4-methyl-6,8-dioxo-3,4,12,12a-tetrahydro-2H-pyrido[5,6]pyrazino[2,6-b][1,3]oxazine-9-carboxamide" . "(2E)-2-[(4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-ylacetonitrile" . "propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate" . "N-[[5-[3-(1-benzylpiperidin-4-yl)propoxy]-1-methylindol-2-yl]methyl]-N-methylprop-2-yn-1-amine" . "3-chloro-4-[(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl]sulfonylbenzamide" . "(3R)-3-{[6-(4-methylphenyl)pyridin-3-yl]oxy}-1-azabicyclo[2.2.2]octane" . "N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide" . "N-[4-[(2R,4R,6S)-4-[[4,5-di(phenyl)-1,3-oxazol-2-yl]sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-N'-hydroxyoctanediamide" . "2-benzamido-1-(3-phenylpropyl)-1H-1,3-benzodiazole-5-carboxylic acid" . "4-(cyclopropylmethoxy)-N-{3-[(1R)-1-[(2-acetamidoethyl)amino]ethyl]-8-methylquinolin-7-yl}benzamide" . "2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide" . "3-[3-({[(2R,3S,4R,5R)-5-{4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-3,4-dihydroxyoxolan-2-yl]methyl}(propan-2-yl)amino)propyl]-1-(4-tert-butylphenyl)urea" . "2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol" . "1'-({6-[(1E)-(3,4-difluorophenyl)(ethoxyimino)methyl]pyridin-3-yl}methyl)-5-methyl-5,6-dihydro-3H-spiro[furo[3,4-c]pyridine-1,4'-piperidine]-6-one" . "6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[6,5-d]pyrimidin-7-one" . "5-methyl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione" . "N-[5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine" . "7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide" . "N-(3-chlorophenyl)-2-[(3R,4S)-1-[2-(4-hydroxyoxan-4-yl)ethyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]acetamide" . "benzyl (2S)-2-[({[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy}(phenoxy)phosphoryl)amino]propanoate" . "2-[3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxoquinazolin-1-yl]acetic acid" . "(2S,3R)-2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid" . "N-[[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide" . "N-(1,3-benzothiazol-2-yl)-4-[(2-hydroxy-3-methoxyphenyl)methylamino]benzenesulfonamide" . "5-chloro-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine" . "2-ethylamino-1-phenylpropan-1-one" . "2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one" . "3-[[6-[(3-carboxy-2,4,6-triiodophenyl)amino]-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid" . "N-[4-nitro-2-(phenoxy)phenyl]methanesulfonamide" . "N-(4-Ethoxyphenyl)acetamide" . "(2S)-2-[[5-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid" . "2-[[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methylamino]acetic acid" . "(2S)-2-methoxy-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]propanoic acid" . "6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylic acid" . "(1s,4s)-4-cyano-4-[3-(cyclopentyloxy)-4-methoxyphenyl]cyclohexane-1-carboxylic acid" . "(2R,4R)-N-(4-chlorophenyl)-N'-[2-fluoro-4-(2-oxopyridin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide" . "(3R,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-3,4-DIOL" . "2-[3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]indol-1-yl]acetic acid" . "5-(3,4-DICHLOROPHENYL)-6-METHYLPYRIMIDINE-2,4-DIAMINE" . "(3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-yl]methanone" . "6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[3,2-e]pyrimidine-2,4-diamine" . "(4S)-6-fluorospiro[chroman-4,5'-imidazolidine]-2',4'-dione" . "(2S)-4-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanamide" . "(E)-N-[4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide" . "3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol" . "(1,1-dimethylpiperidin-1-ium-4-yl) octadecyl phosphate" . "3-[[(1R)-1-(propylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]carbazole-9-carboxamide" . "4-chloro-N-(2-morpholin-4-ylethyl)benzamide" . "[(7S)-6-(5-chloropyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate" . "[6-(5-chloropyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate" . "2-(dimethylamino)-5-(2-methylpropanoylamino)-N-[(1S)-1-phenylethyl]benzamide" . "(2S)-N-[(2S)-1-[(2R,4S)-2-[[6-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-hydroxy-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide" . "(1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide" . "[(2R)-2-amino-4-[4-heptoxy-3-(trifluoromethyl)phenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate" . "2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide" . "2-acetyloxypropyl-trimethylazanium" . "N-(2,2,2-trifluoroethyl)-9-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]fluorene-9-carboxamide" . "2-Aminoethanethiol" . "ethyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate" . "(3-ethyl-2-methylquinolin-6-yl)-(4-methoxycyclohexyl)methanone" . "2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide" . "4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide" . "[(8R)-1-[3-(phenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-8-yl] 2-hydroxy-2,2-di(thiophen-2-yl)acetate" . "propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-(phenoxy)but-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate" . "(Z)-7-[(1R,2R,3R,5S)-2-[(E)-3,3-difluoro-4-(phenoxy)but-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid" . "5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one" . "3-hydroxy-1,2-dimethylpyridin-4-one" . "(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide" . "1-[4-[di(phenyl)methyl]piperazin-1-yl]-3,3-di(phenyl)propan-1-one" . "(2S)-2-(carbamoylamino)pentanedioic acid" . "(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate" . "[(8S,11R,13S,14S,17R)-17-acetyl-11-(4-dimethylaminophenyl)-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate" . "(3R)-5-(3-chloro-4-fluorophenyl)-3-methyl-3-(pyrimidin-5-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)indol-2-one" . "N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide" . "8-[(4-fluorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanoic acid" . "4-[4-[(S)-(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoic acid" . "O3-(butanoyloxymethyl) O5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate" . "(5-pyridin-3-ylfuran-2-yl)methanamine" . "1-[(2,6-difluorophenyl)methyl]triazole-4-carboxamide" . "2-[[(2S)-2-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl]-3-phenylpropanoyl]amino]acetic acid" . "(2R)-2-acetamido-3-methoxy-N-(phenylmethyl)propanamide" . "[2-[(1R)-3-(di(propan-2-yl)amino)-1-phenylpropyl]-4-(hydroxymethyl)phenyl] 2-methylpropanoate" . "[(6S,8S,9R,10S,11S,13S,14S,17R)-17-(2-acetyloxyacetyl)-6,9-difluoro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate" . "[2,6-di(propan-2-yl)phenoxy]methyl dihydrogen phosphate" . "3-[(2R,3R)-1-dimethylamino-2-methylpentan-3-yl]phenol" . "(5-pyridin-3-ylthiophen-2-yl)methanamine" . "4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid" . "N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide" . "spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl 2-hydroxy-2,2-di(phenyl)acetate" . "3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methylpyridin-2-yl]benzoic acid" . "[(8R)-1-azabicyclo[2.2.2]octan-8-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate" . "Nonanedioic acid" . "(3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one" . "2-[2-(4-heptylphenyl)ethyl]-6-hydroxybenzoic acid" . "(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide" . "4-(cyclopentyloxymethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine" . "[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[4-(hydroxycarbamoyl)phenyl]carbamate" . "N-{[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide" . "(2E)-N-hydroxy-3-[1-(4-methoxybenzenesulfonyl)-2,3-dihydro-1H-indol-5-yl]prop-2-enamide" . "2-{2-[2-(morpholin-4-yl)ethoxy]phenyl}-N-(1,3-thiazol-2-yl)-1H-1,3-benzodiazole-4-carboxamide" . "4-acetyl-N-benzyl-2-methyl-octahydro-2H-1,4-benzothiazine-7-sulfonamide" . "(3S,6S,9S,12R)-3-[(2S)-butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone" . "(E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide" . "(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide" . "2-(4-butoxyphenyl)-N-hydroxyacetamide" . "(2E)-N-(2-amino-4-fluorophenyl)-3-{1-[(2E)-3-phenylprop-2-en-1-yl]-1H-pyrazol-4-yl}prop-2-enamide" . "N-(2-aminophenyl)-6-[(4-methylphenyl)formamido]hexanamide" . "2-chloro-4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]benzoic acid" . "(E)-3-[1-[4-(dimethylaminomethyl)phenyl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide" . "N-hydroxy-2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide" . "4-{[butyl(phenylcarbamoyl)amino]methyl}-N-hydroxybenzamide" . "6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide" . "5-[(2E)-2-(2-amino-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2,4-dimethylbenzenesulfonic acid" . "3-[(2-nitrophenyl)amino]propylazanium" . "9-acetyl-2,3,4,9-tetrahydro-1H-carbazol-1-one" . "phenylmethyl N-(1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl)carbamate" . "8-chloro-1,4-dimethyl-6-phenyl-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine" . "1-[3-(dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]ethan-1-ol" . "[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy(phenyl)methyl]phenyl] acetate" . "7-(dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(1R)-1-(pyridin-2-yl)ethyl]-1H,2H,3H-imidazo[4,5-c]quinolin-2-one" . "4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one" . "[5-(carbamimidoylsulfanylmethyl)thiophen-2-yl]methylsulfanylmethanimidamide" . "3-(dimethyl-1,2-oxazol-4-yl)-2-methoxy-9-[2-(trifluoromethoxy)phenyl]-7H,8H,9H-pyrrolo[2,3-c]1,5-naphthyridin-8-one" . "9-benzyl-3-(dimethyl-1,2-oxazol-4-yl)-2-methoxy-7H,8H,9H-pyrrolo[2,3-c]1,5-naphthyridin-8-one" . "2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide" . "4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide" . "N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide" . "6-(dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1H-inden-1-ol" . "2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-1,3-benzodiazole" . "4-[(4-hydroxycyclohexyl)amino]-N-(1-phenylcyclopropyl)imidazo[1,2-a]quinoxaline-8-carboxamide" . "2-(pyridin-2-ylmethylamino)phenol" . "5-(4-Hydroxyphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxopentanamide" . "5-methyl-1-phenylpyridin-2-one" . "(2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid" . "1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-[[(2S)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate" . "N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]octanamide" . "2-(8-chlorobenzo[b][1]benzothiepin-6-yl)oxy-N-methylethanamine" . "N-[[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl]-2-phenylsulfanylpyridine-3-carboxamide" . "(4R,4aS,7S,7aR,12bS)-7-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol" . "(5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol" . "2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine" . "6,9-bis(2-aminoethylamino)benzo[g]isoquinoline-5,10-dione" . "6-piperazin-1-ylbenzo[b][1,5]benzothiazepine" . "[4-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-[5-methylsulfonyl-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone" . "1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile" . "7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid" . "(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine" . "8-Chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine" . "1-(4-chlorophenyl)-2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethanone" . "2-[4-[[5,6-di(phenyl)pyrazin-2-yl]-propan-2-ylamino]butoxy]-N-methylsulfonylacetamide" . "7-chloro-5-(2-chlorophenyl)-3-hydroxy-1-methyl-3H-1,4-benzodiazepin-2-one" . "methyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate" . "2-[di(phenyl)methylsulfinyl]acetamide" . "(3aS,7aR)-2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione" . "7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanoic acid" . "2-[4-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol" . "2-[1-[[1-(2-methylpropanoyloxy)ethoxycarbonylamino]methyl]cyclohexyl]acetic acid" . "[5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[4,5-c]pyridin-2-yl] acetate" . "(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-3-ium-7-one" . "2-[2-amino-3-(benzoyl)phenyl]acetamide" . "2-[2-amino-3-(benzoyl)phenyl]acetic acid" . "Benzenecarboximidamide" . "N-[(4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-4a-yl]-2,2-difluoropropanamide" . "N'-(5-chloropyridin-2-yl)-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide" . "2-[1-[2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4,6-dihydropyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl]piperidin-4-yl]acetic acid" . "[phosphono-[[4-(4-propan-2-yloxyphenyl)pyridin-2-yl]amino]methyl]phosphonic acid" . "3-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine" . "8-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]-1H-quinolin-2-one" . "4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-iodo-1H-indole-2-carbonitrile" . "5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide" . "2-ethylsulfinyl-4-(3-phenylmethoxyphenyl)-6-(trifluoromethyl)pyrimidine" . "methyl (3aR,4S,7aR)-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-3,3a,5,6,7,7a-hexahydro-2H-indole-1-carboxylate" . "11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,3-b][3]benzazepine-3-carbaldehyde" . "5-methyl-6-[[(3,4,5-trimethoxyphenyl)amino]methyl]quinazoline-2,4-diamine" . "(3S)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine" . "(3S)-3-[[(2S)-5-amino-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-(4-sulfooxyphenyl)propan-2-yl]amino]-4-oxobutanoic acid" . "(8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-11-methylidene-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one" . "1-[3-cyano-3,3-di(phenyl)propyl]-4-phenylpiperidine-4-carboxylic acid" . "[(2S,3R)-4-dimethylamino-3-methyl-1,2-di(phenyl)butan-2-yl] propanoate" . "(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol" . "(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol" . "(1-methylpyridin-2-ylidene)methyl-oxoazanium" . "(2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid" . "ethyl 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate" . "(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid" . "(1R,5S)-3-[di(phenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane" . "(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide" . "(2R)-3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine" . "[(4-chlorophenyl)sulfanyl-phosphonomethyl]phosphonic acid" . "N-(2-hydroxyethyl)-N-methyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide" . "[2-[(8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate" . "9-ethyl-4,6-dioxo-10-propylpyrano[5,6-g]quinoline-2,8-dicarboxylic acid" . "5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid" . "N-[[4-[(benzoylamino)carbamoyl]phenyl]methyl]-3-chloro-4-fluorobenzenesulfonamide" . "5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one" . "[2-(carbamoyloxymethyl)-2-methylpentyl] N-propan-2-ylcarbamate" . "2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-butylaminobenzoate" . "1-methyl-3-phenylpyrrolidine-2,5-dione" . "1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate" . "N-[[4-(2-dimethylaminoethoxy)phenyl]methyl]-3,4,5-trimethoxybenzamide" . "5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione" . "3-phenyldiazenylpyridine-2,6-diamine" . "3-(2-methoxyphenoxy)propane-1,2-diol" . "N-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]benzamide" . "N-[(3Z)-2-oxo-3-[phenyl-[[4-(piperidin-1-ylmethyl)phenyl]amino]methylidene]-1H-indol-5-yl]ethanesulfonamide" . "2,3-dimethyl-1-(phenylmethyl)guanidine" . "2-[4-[(E)-2-chloro-1,2-di(phenyl)ethenyl]phenoxy]-N,N-diethylethanamine" . "(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid" . "5-[bis(2-chloroethyl)amino]-1H-pyrimidine-2,4-dione" . "(5-phenylthiophen-2-yl)methanamine" . "tris(aziridin-1-yl)-sulfanylidenephosphorane" . "[3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-5-oxo-2H-1,2,4-triazol-1-yl]phosphonic acid" . "N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide" . "[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl]-[3-hydroxy-3-[(2S)-piperidin-2-yl]azetidin-1-yl]methanone" . "[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 3-phenylpropanoate" . "[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 4-methylpentanoate" . "[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] decanoate" . "(9bS)-9b-(4-chlorophenyl)-1-(3,4-difluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one" . "1-[(4-bromophenyl)methyl]indole-2,3-dione" . "3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethyl-2H,3H-thieno[2,3-b]pyridine-2-carboxamide" . "3-(1,3-dioxoisoindol-2-yl)propyl-[7-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]heptyl]-dimethylazanium" . "(E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-[3-[4-[(E)-(2,6-dichlorophenyl)methoxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]methanimine" . "[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]methylphosphonic acid" . "3-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea" . "5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N-phenyl-1,2-dihydroquinoline-3-carboxamide" . "N-(3-chloro-4-fluorophenyl)-6-[2-(5,8-dioxa-10-azadispiro[2.0.4^{4}.3^{3}]undecan-10-yl)ethoxy]-7-methoxyquinazolin-4-amine" . "(2S)-1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol" . "N-(3-ethynylphenyl)-7H,8H,10H,11H,13H,14H-1,4,7,10-tetraoxacyclododeca[2,3-g]quinazolin-4-amine" . "4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[4,5-e]pyrimidin-6-yl]phenol" . "6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[3,2-e]pyrimidin-4-amine" . "(E)-N-[4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl]-4-dimethylaminobut-2-enamide" . "4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine" . "N-(3-chloro-4-fluorophenyl)-N'-(1-methylpiperidin-4-yl)pyrimido[4,5-e]pyrimidine-4,6-diamine" . "[(3S)-morpholin-3-yl]methyl N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate" . "N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide" . "6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide" . "7-{4-[4-(2,3-dichlorophenyl)-1,4-diazepan-1-yl]butoxy}-1,2,3,4-tetrahydro-1,8-naphthyridin-2-one" . "7-{4-[4-(2,3-dichlorophenyl)-1,4-diazepan-1-yl]butoxy}-1,2,3,4-tetrahydroquinolin-2-one" . "5-{3-[4-(2,3-dichlorophenyl)piperidin-1-yl]propoxy}-1,3-benzothiazole" . "methyl (1S,3S,4S,5R)-8-(3-fluoropropyl)-3-(4-iodanylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate" . "2-[[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]-6-(trifluoromethyl)-1H-benzimidazole" . "2-[(8S,13S,14S,17R)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]acetonitrile" . "[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate" . "3-nitro-N-[4-(phenoxy)phenyl]benzamide" . "(3R,4R)-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]-1-[3-(2,3,5-trifluorophenyl)prop-2-ynyl]piperidine-3-carboxylic acid" . "(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol" . "2-[2,6-diiodo-4-[(2-methyl-1-benzofuran-3-yl)methyl]phenoxy]acetic acid" . "1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea" . "2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetic acid" . "2-(1-bromonaphthalen-2-yl)oxy-N-pyridin-3-ylacetamide" . "3-(2-chloro-6-methylphenyl)-1-[1,2-di(phenyl)ethyl]thiourea" . "2-[5-[(4-dimethylaminophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid" . "N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-6-carboxamide" . "(2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide" . "N-(6-chloropyridin-3-yl)-3,4-difluorobenzamide" . "N-(6-chloropyridin-3-yl)-4-fluorobenzamide" . "5-(2,6-dichloro-5-fluoropyridin-3-yl)-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one" . "7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quinolin-2-one" . "2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid" . "2-[[4-[2-(3,4-dichlorophenyl)ethyl]phenyl]amino]benzoic acid" . "2-[[2-(3,4-dichlorophenyl)-1,3-dihydroisoindol-5-yl]amino]pyridine-3-carboxylic acid" . "7-methyl-5-[3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one" . "4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide" . "2-[4-acetamido-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid" . "(1S)-1-phenyl-2-pyridin-2-ylethanamine" . "N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[5,4-d]pyridin-6-yl]oxyphenyl]-4-(2-morpholin-4-ylethoxy)benzamide" . "(2S)-1-[(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetyl]-N-[[4-(N'-methoxycarbamimidoyl)phenyl]methyl]azetidine-2-carboxamide" . "5-[(2R,5S)-5-methyl-4-propylmorpholin-2-yl]pyridin-2-amine" . "N-[1-[(3R)-3-(3,5-difluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide" . "N-cyclopropyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide" . "(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetyl]azetidine-2-carboxamide" . "5-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(4-phenyl-3H-imidazol-2-yl)ethyl]amino]methyl]-2-methoxybenzoic acid" . "N-[(1r,4r)-4-[2-(7-cyano-1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]cyclohexyl]-1H-indole-2-carboxamide" . "2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]piperidin-3-yl]acetic acid" . "6-nitro-2-[(6-nitro-1H-benzimidazol-2-yl)methoxymethyl]-1H-benzimidazole" . "(8R)-spiro[1-azabicyclo[2.2.2]octane-8,2'-3H-furo[5,4-b]pyridine]" . "(5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-phenylphenyl]methylidene]-1,3-thiazolidine-2,4-dione" . "3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide" . "2-(3,5-difluoro-4-hydroxyanilino)-5,7-dimethyl-8-(3-methylbutyl)-7H-pteridin-6-one" . "3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(5-methylpyrazin-2-yl)benzamide" . "1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one" . "N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide" . "4-fluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)-3-methylbutan-2-yl]-N,3-dimethylbenzamide" . "ethyl[2-(4-nitrophenoxy)ethyl][2-(4-nitrophenyl)ethyl]amine" . "[(2R)-3-amino-2-fluoropropyl]phosphinic acid" . "N-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine" . "N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide" . "N-(3-aminopropyl)-4-methyl-N-[2-methyl-1-[3-methyl-4-oxo-5-(phenylmethyl)-[1,2]thiazolo[5,4-d]pyrimidin-6-yl]propyl]benzamide" . "O3-(2-methoxyethyl) O5-(3-phenylprop-2-enyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate" . "4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide" . "(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[(1S,2R)-2-[6-[[(1S,2R)-1-[[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-2,3-dihydro-1H-inden-2-yl]oxy]hexa-2,4-diynoxy]-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide" . "4-[(2,4-difluorophenyl)amino]-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide" . "4-amino-8-(2-fluoro-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide" . "3-(carbamoylamino)-5-(3-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide" . "1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea" . "(5R)-N-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-5-methyl-1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide" . "[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol" . "4-[4-(2-adamantylcarbamoyl)-5-tert-butylpyrazol-1-yl]benzoic acid" . "N-[2,4-dimethyl-5-(1-methylimidazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide" . "2-[4-[4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-N-methylacetamide" . "N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-chloro-5-fluorobenzamide" . "N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide" . "3,5-dichloro-N-[[(1R,5S)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]benzamide" . "2-(1-adamantyl)-N-[2-methyl-5-(9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carbonyl)phenyl]acetamide" . "3,5-dichloro-N-[[1-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-4-fluoropiperidin-4-yl]methyl]benzamide" . "2-(4-cyclopropylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide" . "2-tert-butyl-1,1-dioxo-5-phenyl-4-[(4-piperidin-1-ylphenyl)amino]-1,2-thiazol-3-one" . "(1R)-2-[(5S)-5-({[5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)phenyl]methyl}carbamoyl)-4,5-dihydro-1H-pyrazol-1-yl]-1-(4-fluorophenyl)-2-oxoethyl propanoate" . "(5S)-N-{[5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)phenyl]methyl}-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyacetyl]-4,5-dihydro-1H-pyrazole-5-carboxamide" . "3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-7H-purin-6-one" . "1-[(3,5-dimethoxybenzoyl)amino]-3-naphthalen-2-ylurea" . "(5S,8S,10aR)-N-benzhydryl-5-[[(2S)-2-(methylamino)propanoyl]amino]-3-(3-methylbutanoyl)-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide" . "N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine" . "(5S,8S,10aR)-N-benzhydryl-5-[[(2S)-2-(methylamino)propanoyl]amino]-6-oxo-3-(2-phenylacetyl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide" . "6-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile" . "(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide" . "4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]-N-[2-(trifluoromethyl)pyridin-4-yl]benzamide" . "N-(6-methoxy-4-methylquinolin-2-yl)-N'-(thiophen-3-ylmethyl)propane-1,3-diamine" . "9-ethyl-6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile" . "2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine" . "5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine" . "5-[7-methanesulfonyl-2-(morpholin-4-yl)-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine" . "4-N-[(2,4-dichlorophenyl)methyl]-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine" . "1-[3-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea" . "(E)-N-[4-[1-(benzoyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide" . "(2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide" . "(1R,3R)-5-[(2E)-2-[(1R,3aR,7aR)-1-[(2R)-6-hydroxy-6-methylhept-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol" . "(3R)-7-hydroxy-N-[(2S)-1-[4-(3-hydroxyphenyl)piperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide" . "[(3R,5S,6R,7S,8E,10S,11S,12E,14E)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate" . "N-[3-(1-{3-[4-(3,4-difluorophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]propyl}piperidin-4-yl)phenyl]acetamide" . "1-[4-[4-[[(2S,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone" . "4-[(E)-2-[4-[2-[2-(2-fluoranylethoxy)ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline" . "(3-methoxy-6,11-dihydro-5H-dibenzo[2,1-b:1',3'-f][7]annulen-5-yl)methylurea" . "N-[(E)-2-(2,7-dimethoxynaphthalen-1-yl)ethenyl]acetamide" . "2,2-difluoro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide" . "N-[2-[(3-methoxyphenyl)-methylamino]ethyl]acetamide" . "4-[4-[4-[8-(2-acetamidoethyl)naphthalen-2-yl]oxybutoxy]phenyl]benzoic acid" . "N-[2-[7-(cyclohexylmethyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide" . "N-[2-[7-methoxy-3-(3-methylbutyl)naphthalen-1-yl]ethyl]acetamide" . "N-[2-[2-(2,3-dihydroindol-1-ylmethyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide" . "N-[[1-[(4-chlorophenyl)methyl]-4-methoxyindol-2-yl]methyl]propanamide" . "4-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione" . "3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropanal" . "1-cyclohexyl-3-{4-[(Z)-2-[4-(diethylamino)phenyl]diazen-1-yl]benzenesulfonyl}urea" . "1-cyclohexyl-3-{4-[(E)-2-[4-(diethylamino)phenyl]diazen-1-yl]benzenesulfonyl}urea" . "4-methoxy-5'-methyl-6'-(5-(prop-1-yn-1-yl)pyridin-3-yl)-3'H-dispiro(cyclohexane-1,2'-inden-1',2'-imidazol)-4'-amine" . "(5S)-5-(4-methoxy-3,5-dimethylphenyl)-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyrazin-7-amine" . "4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxybenzoic acid" . "N-(cyanomethyl)-4-(2-((4-morpholinophenyl)amino)pyrimidin-4-yl)benzamide" . "2-(3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(ethylsulfonyl)azetidin-3-yl)acetonitrile" . "11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene" . "(2S)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide" . "2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-pyrazol-1-yl)-2-methylpropanamide" . "(S)-3-(1-((9H-purin-6-yl)amino)ethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one" . "[6-[[5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[2,3-e][1,4]oxazin-4-yl]methyl dihydrogen phosphate" . "4-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl]quinoline-6-carboxamide" . "(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-(4-propylphenyl)phenyl]-2-pyridin-2-ylcyclopropane-1-carboxamide" . "methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate" . "methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate" . "1,3-dimethyl-2-oxobenzimidazole-5-carboxamide" . "N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,4-dimethylbenzenesulfonamide" . "N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2-methoxybenzamide" . "4S)-5-amino-4-[[(2S)-2-[[(2S)-2-[[(4-bromophenyl)-hydroxyphosphoryl]methyl]-3-[3-[4-(3-chlorophenyl)phenyl]-1,2-oxazol-5-yl]propanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid" . "2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid" . "9-{4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl}-8-hydroxy-6-methyl-4H,5H-thieno[2,3-c]quinolin-4-one" . "4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyrazin-2-ylpyrimidin-2-yl)amino]benzamide" . "8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluoro-2-methylphenyl)pyrido[6,5-d]pyrimidin-7-one" . "3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid" . "2-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide" . "3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridin-1-yl]-N,4-dimethylbenzamide" . "(3E)-3-[5-(morpholin-4-ylmethyl)-1H-pyridin-2-ylidene]-2-oxo-1H-indole-5-carbonitrile" . "5'-chloro-7'-methyl-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[imidazolidine-5,3'-indole]-2,2',4-trione" . "2-[2-(4-methylphenyl)ethylsulfanyl]-3-[4-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenyl]propanoic acid" . "propan-2-yl 4-[4-[(3aS,7aS)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-1-yl]piperidin-1-yl]-4-methylpiperidine-1-carboxylate" . "(5S)-5-methyl-5-[[4-[4-(1,1,2,2-tetrafluoroethoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione" . "4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-chloro-3-fluorophenyl)piperazine-1-carboxamide" . "N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylamino)propyl]benzamide" . "trans-4-[4-(4-Amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexaneacetic acid" . "2-[(1r,4r)-4-(4-{4-amino-5-oxo-5H,6H,7H,8H-pyrimido[5,4-f][1,4]oxazepin-6-yl}phenyl)cyclohexyl]acetic acid" . "N-[(3S)-1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]pyrrolidin-3-yl]-3,4-dichlorobenzamide" . "2-{4-[4-(5-{[6-(trifluoromethyl)pyridin-3-yl]amino}pyridin-2-yl)phenyl]cyclohexyl}acetic acid" . "(1r,4r)-4-[(1-{5-[5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]pyridin-2-yl}piperidin-4-yl)oxy]cyclohexane-1-carboxylic acid" . "2-[(1r,4r)-4-{4-[(2R)-4-[(2-ethylphenyl)carbamoyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl]phenyl}cyclohexyl]acetic acid" . "2-[[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]amino]acetic acid" . "2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoic acid" . "N-(2-methoxy-5-{[(E)-2-(2,4,6-trimethoxyphenyl)ethenesulfonyl]methyl}pyridin-3-yl)methanesulfonamide" . "6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-(2,2-dimethylpropyl)pyridine-3-carboxamide" . "(4S,5R,6Z,9S,10S,12E)-16-ethylamino-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione" . "N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide" . "4-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]amino]-5-methyl-N-propylpyrrolo[5,1-f][1,2,4]triazine-6-carboxamide" . "-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine" . "4-[3-(4-bromophenyl)-5-(6-methyl-2-oxo-4-phenyl-3H-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid" . "(5S)-5-[[4-(5-chloropyridin-2-yl)oxypiperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione" . "4-[6-methoxy-2-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxo-4aH-quinazolin-3-ium-3-yl]benzoic acid" . "4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid" . "(2R,4S)-4-[(4-hydroxy-4-oxobutanoyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid" . "benzyl N-[(2R)-1-[(2S,4R)-2-[[(2S)-6-amino-1-(1,3-benzoxazol-2-yl)-1,1-dihydroxyhexan-2-yl]carbamoyl]-4-[(4-methylphenyl)methoxy]pyrrolidin-1-yl]-1-oxo-4-phenylbutan-2-yl]carbamate" . "(2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide" . "N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-propylpiperazin-1-yl)benzamide" . "N-[(2S)-4-methyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide" . "N-(3-fluorophenyl)-2-[2-[[7-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-6-methoxyquinazolin-4-yl]amino]-1,3-thiazol-5-yl]acetamide" . "ethyl 4-[6-(diaminomethylideneamino)hexanoyloxy]benzoate" . "N-[(4-tert-butylphenyl)methyl]-1,5-dimethyl-4,4-dioxopyrazolo[4,3-c][2,1]benzothiazin-8-amine" . "4-[2-(4-hydroxyphenyl)propan-2-yl]phenol" . "(2S)-2-[[(2S)-3-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]-1-hydroxy-1-oxopropan-2-yl]amino]-4-methylpentanoic acid" . "[8-(2-dimethylaminoethylamino)-5-(hydroxymethyl)-9-oxoxanthen-2-yl] 4-methylbenzenesulfonate" . "(4S)-5-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-4-[[(2S)-4-carboxy-2-[[(2S)-4-methyl-2-[[2-[[(2S)-4-methyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]pentanoyl]-(4-phenylphenyl)sulfonylamino]acetyl]amino]pentanoyl]amino]butanoyl]amino]-5-oxopentanoic acid" . "2-[(4-methoxyphenyl)sulfonyl-[(2S)-4-methyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetic acid" . "2-[(4-phenylphenyl)sulfonylamino]acetic acid" . "(1S,3aR,6aS)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-1-carboxamide" . "N-[(2S)-2,3-dihydroxypropyl]-3-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide" . "(5R,5aR,8aS,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one" . "(2R,3R)-3-((2-((4-(cyclopropanesulfonimidoyl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)oxy)butan-2-ol" . "2-amino-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide" . "3-[[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]methyl]-N-pentylpyrrolidine-1-carboxamide" . "(1R,2S,5S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide" . "3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea" . "5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine" . "(3R,4R)-4-amino-1-[[4-[(3-methoxyphenyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-3-ol" . "2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide" . "1-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea" . "3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxamide" . "1-[2-[5-[(3-methyloxetan-3-yl)methoxy]benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine" . "2-methoxy-N-[(E)-3-[4-[[3-methyl-4-(6-methylpyridin-3-yl)oxyphenyl]amino]quinazolin-6-yl]prop-2-enyl]acetamide" . "N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide" . "6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine" . "5-(2-diethylaminoethyl)-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[4,5-c]pyridin-4-one" . "(2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one" . "(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-methylaminopropanoyl]amino]acetyl]-N-[(2S)-1-[6-[[(2S)-2-[[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-methylaminopropanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3,3-di(phenyl)propanoyl]amino]hexylamino]-1-oxo-3,3-di(phenyl)propan-2-yl]pyrrolidine-2-carboxamide" . "(2S)-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one" . "6-(1H-indazol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine" . "(3S)-3-[[2-(2-fluorophenyl)-3-oxo-1H-pyrazole-5-carbonyl]amino]-3-(2-methylphenyl)propanoic acid" . "3-[3-[3-(2-amino-2-oxoethyl)phenyl]-5-chlorophenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid" . "(2S)-2-[[(2S)-6-amino-1-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-1-oxohexan-2-yl]amino]-4-phenylbutanoic acid" . "(3S)-3-acetamido-4-[[(1R)-1-[[(2S)-3-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-methyl-3-oxopropyl]-hydroxyphosphoryl]-2-phenylethyl]amino]-4-oxobutanoic acid" . "4-cyano-5-(3,5-dichloropyridin-4-yl)sulfanyl-N-(4-methylsulfonylphenyl)thiophene-2-carboxamide" . "1-ethoxycarbonyloxyethyl 2-[[2-[(2-amino-4-methylsulfanylbutyl)disulfanylmethyl]-3-phenylpropanoyl]amino]acetate" . "5-methyl-2-(2-propan-2-ylphenyl)-N-[[4-(triazol-1-yl)phenyl]methyl]pyrimidin-4-amine" . "6-chloro-3-(cyclopentylmethyl)-1,1-dioxo-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide" . "2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamide" . "4-chloro-N-(2,6-dimethylphenyl)-2-hydroxy-5-sulfamoylbenzamide" . "(1S)-N,N-dimethyl-3-naphthalen-1-yloxy-1-phenylpropan-1-amine" . "N-[(2S)-1-amino-3-(3,4-difluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-2-methylpyrazol-3-yl)furan-2-carboxamide" . "1-[4-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one" . "3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide" . "ethyl 3-[[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]methyl]pyrrolidine-1-carboxylate" . "4-[[(3S)-3-dimethylaminopyrrolidin-1-yl]methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide" . "methyl N-[(2S)-1-[[4-[3-[5-chloro-2-fluoro-3-(methanesulfonamido)phenyl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate" . "5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-methyl-1-(2-methylpropyl)-6-(quinolin-4-ylmethyl)thieno[3,2-e]pyrimidine-2,4-dione" . "3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine" . "N-methyl-4-((4-(((3-(N-methylmethylsulfonamido)pyrazin-2-yl)methyl)amino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)benzamide" . "N-hydroxy-7-naphthalen-2-ylsulfanylheptanamide" . "(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylaminopropanamide" . "(E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-2-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-5-yl]prop-2-en-1-one" . "ethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate" . "3-(5-tert-butylisoxazol-3-yl)-2-[(3-chlorophenyl)-hydrazono]-3-oxo-propionitrile" . "1-(2-hydroxyethyl)-8-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide" . "2-N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine" . "2,3,5-trihydroxy-7-methyl-N-[(2R)-2-phenylpropyl]-6-[1,6,7-trihydroxy-3-methyl-5-[[(2R)-2-phenylpropyl]carbamoyl]naphthalen-2-yl]naphthalene-1-carboxamide" . "7-{2-[3-(cyclohexylformamido)propyl]hydrazin-1-yl}-2-{4'-methoxy-[1,1'-biphenyl]-4-yl}-2H,3H,3aH-imidazo[4,5-b]pyridine-6-carboxamide" . "6-[(4-bromo-2-fluorophenyl)amino]-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide" . "N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide" . "N-[2-[(4-methoxyphenyl)-phenylamino]ethyl]acetamide" . "N-[3-[5-methoxy-2-[(3-methoxyphenyl)methyl]phenyl]propyl]propanamide" . "3-oxo-1,1-di(phenyl)-N-(2-piperidin-1-ylethyl)-5,6,8,8a-tetrahydro-[1,3]oxazolo[4,3-c]pyrazine-7-carboxamide" . "2-(difluoromethyl)-1-[4,6-di(morpholin-4-yl)-1,3,5-triazin-2-yl]benzimidazole" . "N-(1,3-benzodioxol-5-ylmethyl)-4-([1]benzoxolo[2,3-e]pyrimidin-4-yl)piperazine-1-carbothioamide" . "5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine" . "2-(2-chlorophenyl)-5,7-dihydroxy-8-[(2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]chromen-4-one" . "N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide" . "2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one" . "N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide" . "N,1,4,4-tetramethyl-8-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide" . "2-[(5-chloro-2-{[3-methyl-1-(propan-2-yl)-1H-pyrazol-5-yl]amino}pyridin-4-yl)amino]-N-methoxybenzamide" . "1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea" . "1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one" . "[(3aR,6E,9S,9aR,10R,11aS)-6-[(di(prop-2-enyl)amino)methylidene]-5-hydroxy-9-(methoxymethyl)-9a,11a-dimethyl-1,4,7-trioxo-2,3,3a,9,10,11-hexahydroindeno[7,6-h]isochromen-10-yl] acetate" . "N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide" . "6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[5,1-b]pyrimidin-7-amine" . "7-[[(3aR,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methoxy]-N-(3,4-dichloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine" . "2-amino-N-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide" . "8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-2H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-one" . "3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione" . "ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methylindole-2-carboxylate" . "1-cyclopropyl-3-[(3Z)-3-[5-(morpholin-4-ylmethyl)benzimidazol-2-ylidene]-1,2-dihydropyrazol-4-yl]urea" . "2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile" . "8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]imidazo[5,4-c]quinolin-2-one" . "(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(6-fluoropyridin-3-yl)-2-methylpyrrolidine-2-carboxamide" . "(3R)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)pyrrolidine-3-carboxamide" . "N-[4-(2-amino-3-chloropyridin-4-yl)oxy-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide" . "(2S)-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide" . "N'-[2-fluoro-4-[2-[[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino]pyridin-4-yl]oxyphenyl]-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide" . "2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-yl]-N-(phenylmethyl)acetamide" . "5-[2-tert-butyl-5-(4-fluorophenyl)-3H-imidazol-4-yl]-3-(2,2-dimethylpropyl)imidazo[5,4-b]pyridin-2-amine" . "N-(5-bromo-4-methyl-2-{[(2S)-morpholin-2-yl]methoxy}phenyl)-N'-(5-methylpyrazin-2-yl)urea" . "1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine" . "(3R,4S)-3,4-bis(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol" . "9-[[[(2R)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]amino]-2-(1-methylpyrazol-4-yl)-11-oxobenzo[1,2]cyclohepta[2,4-b]pyridine" . "N-[3-(2,1,3-benzothiadiazol-6-ylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide" . "N-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxy-4-methylbenzamide" . "7-(2-morpholin-4-ylethoxy)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)quinoline" . "N-[3-[[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide" . "2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazole-4-carboxylic acid" . "methyl N-[6-[2-(5-chloro-2-methylphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate" . "3-N-(1H-indol-5-yl)-5-pyridin-4-ylpyrazine-2,3-diamine" . "(3Z)-3-[[[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]amino]-phenylmethylidene]-2-oxo-1H-indole-6-carboxylic acid" . "[(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[5,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] (2S)-2-aminopropanoate" . "(2S)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide" . "(E)-3-(6-bromopyridin-2-yl)-2-cyano-N-[(1S)-1-phenylethyl]prop-2-enamide" . "[7-(6-aminopyridin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-fluoro-2-methyl-4-methylsulfonylphenyl)methanone" . "[1-hydroxy-2-[3-[3-(naphthalen-2-ylsulfonylamino)phenyl]phenyl]-1-phosphonoethyl]phosphonic acid" . "[2-(3-dibenzofuran-4-ylphenyl)-1-hydroxy-1-phosphonoethyl]phosphonic acid" . "[1-hydroxy-2-[3-(3-phenylphenyl)phenyl]-1-phosphonoethyl]phosphonic acid" . "[1-hydroxy-2-[3-(3-phenylphenyl)phenoxy]-1-phosphonoethyl]phosphonic acid" . "3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid" . "(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carboxamide" . "(E,2S)-N-(3-bromophenyl)-N'-cyano-2-methyl-4-{5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine-1-carboximidamide" . "(3R,5R)-7-(2,4-dichloro-6-phenylmethoxyphenyl)-3,5-dihydroxyheptanoic acid" . "(3S)-4-[2-(2,4-dichloro-6-phenylmethoxyphenyl)ethyl-hydroxyphosphoryl]-3-hydroxybutanoic acid" . "2-[2-[hydroxy(phosphonooxy)phosphoryl]oxyethyl-methylamino]acetic acid" . "N-butan-2-yl-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide" . "(3R)-3-(fluoromethyl)-3-hydroxy-5-[hydroxy(phosphonooxy)phosphoryl]oxypentanoic acid" . "N'-(2-adamantyl)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]ethane-1,2-diamine" . "N-ethyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-N-(phenylmethyl)acetamide" . "3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine" . "(3S)-5-[5-chloro-2-[6-(3-chlorophenyl)hexyl]-1-methylindol-3-yl]-3-methyl-5-oxopentanoic acid" . "N-[3-[[5-iodo-4-[3-(thiophene-2-carbonylamino)propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide" . "N-[3-[[5-bromo-4-[2-(3H-imidazol-4-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide" . "(3S,6R)-1-[6-(3-amino-1H-indazol-6-yl)-2-(methylamino)pyrimidin-4-yl]-N-cyclohexyl-6-methylpiperidine-3-carboxamide" . "4-dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide" . "6-[2-[[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethylamino]pyridine-3-carbonitrile" . "8-dibenzothiophen-4-yl-2-morpholin-4-ylchromen-4-one" . "2-(4-ethylpiperazin-1-yl)-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide" . "N-[(E)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide" . "1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine" . "3-(2,4-dichlorophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione" . "6-N-[2-[[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamine" . "3-[2-(4-fluorophenyl)ethylamino]-1-methyl-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione" . "3-[(3-chloro-4-hydroxyphenyl)amino]-4-(2-nitrophenyl)pyrrole-2,5-dione" . "1-(4-{2-[(4-chloro-2-hydroxy-5-iodophenyl)amino]acetyl}piperazin-1-yl)prop-2-en-1-one" . "N-{1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}butanamide" . "N-(1-{2-[(4-chloro-5-iodo-2-methoxyphenyl)amino]acetyl}piperidin-4-yl)ethene-1-sulfonamide" . "1-{2-[(4-chlorophenyl)sulfanyl]acetyl}-N-(2-{[2-(dimethylamino)ethyl]disulfanyl}ethyl)piperidine-4-carboxamide" . "4-[2-[4-[(11R)-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[1,2]cyclohepta[2,4-b]pyridin-11-yl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide" . "6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one" . "(3R)-1-(3H-imidazol-4-ylmethyl)-3-(phenylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile" . "propan-2-yl (2S)-2-[1-[2-(2-fluoroethyl)-5-[[(2S,5S)-5-(pyridine-3-carbonylsulfanyl)pyrrolidin-2-yl]methylamino]phenyl]ethenylamino]-4-methylsulfanylbutanoate" . "1-(1-{[1-(3a,7a-dihydro-2H-1,3-benzodioxol-5-ylmethyl)-1H-imidazol-5-yl]methyl}-4-(naphthalen-1-yl)-1H-pyrrole-3-carbonyl)-4-methylpiperazine" . "2-ethyl-4-(2-methoxyethyl)-1,2,4-thiadiazolidine-3,5-dione" . "[1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-ylpyrrol-3-yl]-morpholin-4-ylmethanone" . "(2S)-2-[[(2S)-2-[(2S,3S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-3-methylpentoxy]-3-phenylpropanoyl]amino]-4-methylsulfonylbutanoic acid" . "pyridine-3,4-diamine" . "4-butyl-2-ethyl-1,2,4-thiadiazolidine-3,5-dione" . "(6Z)-4-fluoro-6-[4-[[(3S,4R)-4-(2-hydroxypropan-2-yl)pyrrolidin-3-yl]amino]-6,7-dimethoxy-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one" . "(15R)-15-methyl-5-(6-methylpyridin-3-yl)-11-thia-6,14,17-triazatetracyclo[8.8.0.0^{2,7}.0^{12,18}]octadeca-1(10),2,4,6,8,12(18)-hexaen-13-one" . "4-[7-acetyl-8-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1H-1,5-naphthyridin-2-ylidene]-2,6-dichlorocyclohexa-2,5-dien-1-one" . "N-[3-[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]propanamide" . "2-[4-[[(2R)-2-Aminobutyl]amino]pyrimidin-2-yl]-4-(1-methyl-1H-pyrazol-4-yl)phenol dihydrochloride" . "2-fluoro-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid" . "1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea" . "3-[(3-chlorophenoxy)methyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine" . "(4-butoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)-(2,6-difluoro-4-methylphenyl)methanone" . "N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide" . "4-({[6-(5-chloro-2-{[(1r,4r)-4-{[(2R)-1-methoxypropan-2-yl]amino}cyclohexyl]amino}pyridin-4-yl)pyridin-2-yl]amino}methyl)oxane-4-carbonitrile" . "3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile" . "2-[2-ethoxy-4-(4-hydroxypiperidin-1-yl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one" . "3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide" . "2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid" . "N-[4-[3-(2-aminopyrimidin-4-yl)pyridin-2-yl]oxyphenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine" . "4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid" . "N-[3-[[5-cyclopropyl-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide" . "(3Z)-3-[[3-[(dimethylamino)methyl]anilino]-phenylmethylidene]-2-oxo-1H-indole-6-carboxamide" . "N-(2-hydroxyethyl)-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide" . "4-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide" . "7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-(phenylmethoxy)phenyl]pyrrolo[3,2-e]pyrimidin-4-amine" . "(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]carbamate" . "2-[(3-hexoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-methylamino]pyrimidine-5-carboxylic acid" . "2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide" . "1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-methyl-3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea" . "3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one" . "[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone" . "N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide" . "5-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)thiophene-3-carboxylic acid" . "N-[5-(cyclopropylamino)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-pyridinecarboxamide" . "(2E,5S,6S,8Z,11S)-5,6,15-trihydroxy-17-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,8,15,17-pentaene-7,13-dione" . "4-(5,7,7,10,10-pentamethyl-2-nitro-8,9-dihydronaphtho[2,3-b][1,5]benzodiazepin-12-yl)benzoic acid" . "N-[2-methoxy-4-(morpholin-4-yl)phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide" . "6-{6-chloroimidazo[1,2-a]pyridin-3-yl}-N-(pyrrolidin-3-yl)pyridin-2-amine" . "3-[(1R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine" . "2-[(3R)-12-{[(1r,4r)-4-(morpholin-4-yl)cyclohexyl]oxy}-7-thia-9,11-diazatricyclo[6.4.0.0²,⁶]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetamide" . "(2S)-2-hydroxy-3-[(3R)-12-{[(1r,4r)-4-(morpholin-4-yl)cyclohexyl]oxy}-7-thia-9,11-diazatricyclo[6.4.0.0²,⁶]dodeca-1(12),2(6),8,10-tetraen-3-yl]propanamide" . "N-{2-[4-(aminomethyl)piperidin-1-yl]-5-chlorophenyl}-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide" . "2-[(2-aminoethyl)(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide" . "2-fluoro-N-methyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide" . "N-[(4S)-1-[(Z)-N'-cyano-N-[3-(difluoromethoxy)phenyl]carbamimidoyl]-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-N-ethyl-2-hydroxyacetamide" . "N-(4-{[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]amino}phenyl)-5-[(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy]pyridine-2-carboxamide" . "4-hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide" . "(E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide" . "6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide" . "1,2-dihydrobenzo[f]chromen-3-one" . "6-[2-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]pyridin-4-yl]-1,7-dihydropyrrolo[3,2-e]pyrimidin-4-one" . "4-[2-(2-cyclopentylidenehydrazinyl)-1,3-thiazol-4-yl]benzonitrile" . "4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propan-2-ylthieno[2,3-d]pyrimidine" . "2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloropyridin-4-yl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol" . "2-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]sulfanylacetic acid" . "3-(1H-indol-5-yl)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine" . "2-fluoro-N-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline" . "8-bromo-2-[(1-methylpiperidin-4-yl)amino]-4-(4-phenoxyanilino)-6H-pyrido[4,3-d]pyrimidin-5-one" . "2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine" . "[3-[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxymethyl]oxetan-3-yl]methanol" . "5-[2-(dimethylamino)ethoxy]-2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine" . "4-[(2-{1-[(2-fluorophenyl)methyl]-1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-5-(2-methanesulfonylethoxy)pyrimidin-4-yl)amino]pyridine-3-carboxamide" . "(2S)-2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid" . "8-chloro-2-[(2S)-pyrrolidin-2-yl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one" . "(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one" . "4-(4-hydroxy-3-methylphenyl)-6-phenyl-1,2-dihydropyrimidin-2-one" . "N-methyl-3-[1-(4-piperazin-1-ylphenyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propanamide" . "1-[5-[6-(2,6-dimethyl-4-pentan-3-yloxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]-3-methylurea" . "N-[5-[6-(2,6-dichloro-4-methoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide" . "4-[4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine" . "5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline" . "5-fluoro-2-{[1-(5-fluoropyridin-2-yl)ethyl]amino}-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile" . "N-cyclopropyl-3-fluoro-4-methyl-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide" . "4-anilino-1-benzyl-N-[2-(diaminomethylideneamino)ethyl]piperidine-4-carboxamide" . "5-[(3-chlorophenyl)amino]pyrido[4,3-c]quinoline-8-carboxylic acid" . "(5Z)-2-[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]anilino]-5-(1,3-benzodioxol-5-ylmethylidene)-1H-imidazol-4-one" . "N-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]acetamide" . "7-formyl-8-hydroxy-5-oxo-1H,2H,3H,4H,5H-chromeno[3,4-c]pyridine-3-carboximidamide" . "N-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[5,4-d]pyridin-7-yl]methyl]piperidin-4-amine" . "4-[1-ethyl-7-(piperazin-1-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine" . "N-(2-chloro-6-methylphenyl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide" . "(2R)-2-[5-[6-amino-5-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-3-yl]-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol" . "N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine" . "(1S,2S,3R,4R)-3-[(5-Chloro-2-{[(7S)-1-methoxy-7-(4-morpholinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino}-4-pyrimidinyl)amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide" . "2-[4,5,6,7-tetrabromo-2-(dimethylamino)benzimidazol-1-yl]acetic acid" . "2-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-indazol-6-yl}phenol" . "7-(5-hydroxy-2-methylphenyl)-6-(2-methoxyphenyl)-4-methylpurino[7,8-a]imidazole-1,3-dione" . "2-[2,6-dihydroxy-4-[(3R,4R)-3-[(4-hydroxybenzoyl)amino]azepan-4-yl]oxycarbonylbenzoyl]-3-hydroxybenzoic acid" . "5-(1-piperidin-4-ylpyrazol-4-yl)-3-(6-pyrrolidin-1-yl-1,3-benzoxazol-2-yl)pyridin-2-amine" . "4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline" . "methyl 9-(4-chloroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate" . "2-methyl-N-[2-({3-[2-(prop-2-enamido)acetamido]phenyl}amino)pyrimidin-5-yl]-5-[3-(trifluoromethyl)benzamido]benzamide" . "3-[[4-(5-hydroxy-2-methylanilino)pyrimidin-2-yl]amino]benzenesulfonamide" . "3-(2-imidazo[1,2-a]pyrazin-5-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide" . "2-methyl-N-(2-{[3-(prop-2-enamido)phenyl]amino}pyrimidin-5-yl)-5-[3-(trifluoromethyl)benzamido]benzamide" . "(3Z)-5-(2-chloroacetyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one" . "3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]thiophene-2-carboxamide" . "1-[(3-hydroxyphenyl)methyl]-3-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]urea" . "3-[[(cyanoamino)-[(2S)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methylidene]amino]-N-(2-hydroxyethyl)benzamide" . "2-[2-(4-fluoro-2-methylphenoxymethyl)-5-methoxypyridin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one" . "4-[4-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]morpholine" . "7',8'-dichloro-9'-methyl-1'-oxo-1',2',4',9'-tetrahydrospiro[piperidine-4,3'-pyrido[3,4-b]indole]-4'-carbonitrile" . "N-(3-chlorophenyl)-4-[3-(piperazin-1-yl)phenyl]pyrimidin-2-amine" . "3-[3-(2-aminoethyl)-1H-indol-1-yl]-4-(5-chloro-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione" . "4-(1,3-benzodioxol-5-yl)-N-[(3,5-dichlorophenyl)methyl]pyrimidin-2-amine" . "5-(1,3-benzodioxol-5-yl)-N-[(3,5-dichlorophenyl)methyl]pyrimidin-4-amine" . "2-[[3,4-dioxo-2-(pyridin-4-ylamino)cyclobuten-1-yl]amino]-2-(3-hydroxyphenyl)acetamide" . "N-(3-chlorophenyl)-4-methyl-3-(2-pyrazolo[1,5-a]pyrimidin-6-ylethynyl)benzamide" . "methyl 9-(4-bromo-2-fluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate" . "[2-chloro-4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-(2,2-dimethylpiperazin-1-yl)methanone" . "(5Z)-2-anilino-5-(1,3-benzodioxol-5-ylmethylidene)-1H-imidazol-4-one" . "3-{[(2,6-dichlorophenyl)methyl]amino}-6,7-dimethoxy-1H,4H-indeno[1,2-c]pyrazol-4-one" . "2-{[2-(4-{5-[(1-ethyl-1H-pyrazol-3-yl)amino]-1H-[1,2,3]triazolo[4,5-d]pyrimidin-1-yl}phenyl)propan-2-yl]oxy}ethan-1-ol" . "5-[2-[5-[[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]ethynyl]-N,1-dimethylimidazole-2-carboxamide" . "3-[(2Z)-2-[5-(difluoromethyl)-1,2-dihydrothieno[3,2-c]pyrazol-3-ylidene]indol-6-yl]pentan-3-ol" . "4-[3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1H-indol-5-yl]-2-methylbut-3-yn-2-ol" . "3-[(4-chlorophenyl)-(1H-imidazol-2-yl)methylidene]-5-[(1-ethylpiperidin-4-yl)amino]-1H-indol-2-one" . "(2S,3S)-3-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butane-1,2,4-triol" . "2-(2-quinolin-3-ylpyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one" . "1-[5-tert-butyl-2-(3-chloro-4-hydroxyphenyl)pyrazol-3-yl]-3-[[2-[[3-[2-(2-hydroxyethylsulfanyl)phenyl]-[1,2,4]triazolo[3,4-f]pyridin-6-yl]sulfanyl]phenyl]methyl]urea" . "(2R,3R,4R)-1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2,3-dimethylpiperidine-4-carboxylic acid" . "5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-2-(furan-3-yl)pyridin-3-yl}-3-methyl-2H-indazole" . "3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one" . "6-(2,6-dichlorophenyl)-2-[[4-(2-diethylaminoethoxy)phenyl]amino]-8-methylpyrido[6,5-d]pyrimidin-7-one" . "(3S,4R)-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide" . "1-[3-[5-(3-aminophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea" . "2,3-di(thiophen-2-yl)benzo[g]quinoxaline-8-carboxylic acid" . "N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-1-(4-methoxyphenyl)pyrazolo[3,4-b]pyridin-6-amine" . "5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide" . "4-methoxy-3-[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyridin-4-yl]benzonitrile" . "5-phenyl-N-(2-phenylethyl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[3,2-e]pyrimidin-4-amine" . "3-[6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)benzimidazol-1-yl]propan-1-ol" . "5-[5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-indole" . "N-{3-[(5-cyclopropyl-2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide" . "(3S)-N-[2-(3-hydroxypropoxy)-4-(1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide" . "N-[(3R,3'R,3'aS,4aR,6'S,6aR,6bS,7'aR,9S,12aS,12bS)-3',6',11,12b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-yl]methanesulfonamide" . "2-[[5-chloro-2-[(1-ethyl-5,5-dimethyl-2-oxo-3,4-dihydro-1-benzazepin-8-yl)amino]pyrimidin-4-yl]amino]-3-fluoro-N-methylbenzamide" . "N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide" . "6-ethyl-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-1-methyl-4-oxo-5-phenacyl-3-(2,2,2-trifluoroethoxy)pyrrolo[3,2-c]pyridine-2-carboxamide" . "1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(4-cyanophenyl)urea" . "N-[2-methyl-5-(methylaminomethyl)phenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide" . "[4-amino-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]-(2,3-dihydro-1,4-benzodioxin-7-yl)methanone" . "2-(2-aminopyrimidin-4-yl)-4-(2-chloro-4-methoxyphenyl)-1,3-thiazole-5-carboxamide" . "ethyl 4-hydroxy-2-(pyridin-4-yl)-1,3-thiazole-5-carboxylate" . "(2S)-1-(1H-indol-3-yl)-3-[5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxypropan-2-amine" . "N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)-2-(cyclopropylamino)-2-phenylacetamide" . "[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone" . "1-[(2,5-dichlorophenyl)methyl]-7-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine" . "1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-7-(2-piperazin-1-ylpyridin-4-yl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine" . "(3R)-6-methoxy-N-[2-[(1-methylpiperidin-4-yl)methoxy]-4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide" . "(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-3-[2,3-di(hexadecanoyloxy)propylsulfanyl]propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid" . "2-[(2Z)-2-(1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene)indol-6-yl]-1-phenylethanone" . "2,6-difluoro-3-[(3-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide" . "N-[(3R)-8-[[5-chloro-4-[2-fluoro-6-(methylcarbamoyl)anilino]pyrimidin-2-yl]amino]-5,5-dimethyl-2-oxo-3,4-dihydro-1H-1-benzazepin-3-yl]pyrrolidine-1-carboxamide" . "N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine" . "3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-methoxy-5-(1-methylpyrazol-4-yl)pyridin-2-yl]amino]pyrazine-2-carbonitrile" . "4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide" . "(1S,2S,3R,4R)-3-[[5-chloro-2-[(1-ethyl-6-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)amino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide" . "(3E)-3-[(3-bromo-4-fluoroanilino)-nitrosomethylidene]-4-[2-(sulfamoylamino)ethylamino]-1,2,5-oxadiazole" . "9H-Pyrido[3,4-B]indole" . "Indolo[2,1-b]quinazoline-6,12-dione" . "(2S)-2-amino-3-(1-methylindol-3-yl)propanoic acid" . "(2R)-2-amino-3-(1-methylindol-3-yl)propanoic acid" . "N-(1,3-benzodioxol-5-yl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[3,2-d][1,2,4]triazol-3-yl]sulfanyl]acetamide" . "1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea" . "2-[(1-benzyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]acetic acid" . "8-hydroxyquinoline-5-carboxylic acid" . "N-[2-(4-methylpiperazin-1-yl)-5-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide" . "N-phenyl-2,5-bis[4-(pyrrolidin-1-yl)piperidine-1-carbonyl]aniline" . "1-(7-(2-methylsulfonyl-phenyl)-4-propoxy-1-aza-bicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl)-ethanone" . "ethyl N-[6-(3-methanesulfonamido-4-methylphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]carbamate" . "8-fluoro-N-[(2R)-1-oxo-1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide" . "1-[7-(3,4-dimethoxyphenyl)-9-{[(3S)-1-methylpiperidin-3-yl]methoxy}-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl]propan-1-one" . "N-[(6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl]-1-(propan-2-yl)-6-{6-[4-(propan-2-yl)piperazin-1-yl]pyridin-3-yl}-1H-indazole-4-carboxamide" . "5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indole]-2'-amine" . "3-cyano-5-(2-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}phenyl)-N-[3-(pyrrolidin-1-yl)propyl]benzamide" . "N-[(6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-1-(propan-2-yl)-1H-indazole-4-carboxamide" . "N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine" . "4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine" . "ethyl 6-[5-(benzenesulfonamido)pyridin-3-yl]imidazo[1,2-a]pyridine-3-carboxylate" . "7-methyl-2-morpholin-4-yl-9-[1-(phenylamino)ethyl]pyrido[2,1-b]pyrimidin-4-one" . "4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine" . "6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxopyridin-3-yl]phenyl]isoquinolin-1-one" . "4-[[2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide" . "(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylic acid" . "1,5-dihydroxy-2,3,4-trimethoxy-10-methylacridin-9-one" . "(2R)-N-hydroxy-2-{4-[4-(methylcarbamoyl)phenoxy]benzenesulfonyl}-8-azaspiro[4.5]decane-2-carboxamide" . "N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-methylpyridine-2-sulfonamide" . "(2R,3R,4S,5R)-2-[6-amino-8-[(4-phenylphenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol" . "4-[2-acetyl-5-(2H-1,3-benzodioxol-4-ylmethoxy)phenoxy]-4-phenylbutanoic acid" . "N-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-1-oxidopyridin-1-ium-3-carboximidoyl chloride" . "7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1,5-dihydropyrrolo[2,3-e]pyrimidin-4-one" . "4-amino-1,3-diazabicyclo[3.1.0]hex-3-en-2-one" . "methyl (4-(4-amino-5-(5-amino-4-chloro-2-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)bicyclo[ 2.2.2]octan-1-yl)carbamate" . "[3-[2-[[(2S)-2-[[(4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]propanoyl]amino]ethoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate" . "2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide" . "4-[(E)-2-[5,5,8,8-tetramethyl-3-(pyrazol-1-ylmethyl)-6,7-dihydronaphthalen-2-yl]ethenyl]benzoic acid" . "[(1S)-1-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-(6-aminohexanoylamino)-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-bromobutyl]boronic acid" . "(2S)-2-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid" . "1-[(8R)-5-(4-aminophenyl)-8-methyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-7-yl]ethanone" . "5-ethynyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one" . "(2,3-dihydroxy-4-methylsulfonyloxybutyl) methanesulfonate" . "1-amino-4-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]anilino]-9,10-dioxoanthracene-2-sulfonic acid" . "propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoate" . "4-ethoxy-2-piperazin-1-yl-7-pyridin-4-yl-5H-pyrimido[5,4-b]indole" . "(1S,3S)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid" . "(6aS)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol" . "2-(dimethylaminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol" . "N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide" . "1-(9-ethylcarbazol-3-yl)-N-(pyridin-3-ylmethyl)methanamine" . "N-[2-[methyl-[3-(4-phenylbutoxy)phenyl]amino]ethyl]acetamide" . "N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide" . "2-[(3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-6-(1-hydroxyethyl)-12,15-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20,25-octaoxo-3,18-bis(phenylmethyl)-1,4,7,10,13,16,19,24-octazacyclooctacos-1-yl]acetamide" . "(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide" . "5-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-methyl-2-(phenylmethyl)pyrimidin-4-one" . "3-[1-[[3-[5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]phenyl]methyl]-6-oxopyridazin-3-yl]benzonitrile" . "4-[5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine" . "(1R,3S,5R)-2-N-[1-carbamoyl-5-(cyanomethoxy)indol-3-yl]-3-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide" . "(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-methylphenyl)methanone" . "[2-(2,4-dichlorophenyl)-1-methylsulfonylindol-3-yl]methanamine" . "4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]benzonitrile" . "6-(4-tert-butylphenyl)sulfonyl-7,8-dimethyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine" . "2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid" . "6-(5-bromo-2-methoxyphenyl)-7H-purin-2-amine" . "N-(2-amino-5-fluorophenyl)-4-{[3-(pyridin-3-yl)prop-2-enamido]methyl}benzamide" . "(2S)-2-[(2R,3R,4S,5S,6R)-3-benzoyloxy-2-[(1R,2R,3S,5R)-3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-[2-[[2-[2-[2-oxo-2-[(3,6,8-trisulfonaphthalen-1-yl)amino]ethoxy]ethoxy]acetyl]amino]ethylcarbamoyl]-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-cyclohexylpropanoic acid" . "(1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine" . "2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid" . "(2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide" . "4-[(5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile" . "4-(5,6,7,8-tetrahydroimidazo[5,1-f]pyridin-5-yl)benzonitrile" . "(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyloxane-3,4,5-triol" . "(2S)-3-(1H-indol-3-yl)-N-{[1-(4-methoxyphenyl)cyclohexyl]methyl}-2-{[(4-nitrophenyl)carbamoyl]amino}propanamide" . "4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide" . "4-[3-(3-fluorophenyl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide" . "3-[4-[2-butyl-1-[4-(4-chlorophenoxy)phenyl]imidazol-4-yl]phenoxy]-N,N-diethylpropan-1-amine" . "4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide" . "4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide" . "4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-dimethylamino-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide" . "(3E)-4-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-oxobut-3-enoic acid" . "4-[2-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-5-oxocyclopentyl]ethylsulfanyl]butanoic acid" . "8-hydroxy-2,2,14,14-tetramethylpentadecanedioic acid" . "2-[(2-propan-2-yloxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide" . "5,7-diethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydro-1,6-naphthyridin-2-one" . "3-[3,5-bis(trifluoromethyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea" . "3-(3,4-dimethoxyphenyl)-1-(3-imidazol-1-ylpropyl)thiourea" . "3-[4-[4-[2-[3-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-ethylpyrazol-3-yl]phenyl]-1,1-dimethylurea" . "2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f]-[1, 2, 4] triazolo [4,3-a] [1, 4] diazepin-6-yl]-N-(4-hydroxyphenyl)-acetamide dehydrate" . "(2S)-2-amino-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(1,3-dihydroisoindol-2-yl)butane-1,4-dione" . "4-iodo-3-nitrobenzamide" . "4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid" . "1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]indazole-4-carboxamide" . "2-[1-[1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile" . "(2E)-3-{2-butyl-1-[2-(diethylamino)ethyl]-1H-1,3-benzodiazol-5-yl}-N-hydroxyprop-2-enamide" . "3-(dimethylaminomethyl)-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide" . "4-acetamido-N-(2-aminophenyl)benzamide" . "(11S)-5-methyl-6,11-dioxo-N-(2-thiophen-2-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide" . "5-chloro-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol" . "(13aS)-3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol" . "[2-(4-chlorophenyl)quinolin-4-yl]-piperidin-2-ylmethanol" . "(3S)-2-(2,2-diphenylacetyl)-6-methoxy-5-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid" . "(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol" . "1-(2-ethoxyethyl)-5-(ethyl-methylamino)-7-[(4-methylpyridin-2-yl)amino]-N-methylsulfonylpyrazolo[5,4-e]pyrimidine-3-carboxamide" . "N-(1,1-dioxo-1λ6-thian-4-yl)-5-ethyl-4-oxo-7-[3-(trifluoromethyl)phenyl]-4H,5H-thieno[3,2-c]pyridine-2-carboximidamide" . "2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid" . "5-(8-methyl-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine" . "5-[bis(morpholin-4-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine" . "(2S)-5-(diaminomethylideneamino)-2-[[2-(2,2-diphenylethylsulfanyl)acetyl]amino]pentanoic acid" . "(1S,3S,9R,11R)-7-(3-hydroxy-4-methoxybenzoyl)-4,4,10,10-tetramethyl-3,9,11-tris(3-methylbut-2-en-1-yl)-5-oxatricyclo[7.3.1.01,6]tridec-6-ene-8,13-dione" . "7-[2-[2-(dimethylamino)ethoxy]ethoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine" . "4-N-[(1R,2S)-2-phenylcyclopropyl]cyclohexane-1,4-diamine" . "2-[(1R,5S,6R)-6-{[(6-fluoroquinolin-2-yl)methyl]amino}-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide" . "2-[3-[2-chloro-5-(trifluoromethoxy)phenyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid" . "3-{4-amino-1H-imidazo[4,5-c]pyridin-1-yl}-5-(hydroxymethyl)cyclopentane-1,2-diol" . "(2S,3S)-4,5-dioxo-2-propyloxolane-3-carboxylic acid" . "(2S,3S)-2-[(2S,4R,5R,6R)-4-[(2S,4R,5S,6R)-4-[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-6-[(2S,4R,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one" . "1-[2-[[(2S,3R,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]ethyl]-3-ethylurea" . "3,4-dimethoxy-N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzene-1-sulfonamide" . "(6S)-2-amino-3,6-dimethyl-6-[4-(5-prop-1-ynylpyridin-3-yl)thiophen-2-yl]-5H-pyrimidin-4-one" . "(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one" . "4-[[(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7,9-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]cyclohexane-1-carboxylic acid" . "(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine" . "5-[[9-methyl-8-[methyl(propan-2-yl)amino]purin-6-yl]amino]bicyclo[2.2.1]heptan-2-ol" . "(3R,6R)-6-[(2S)-butan-2-yl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxoethyl]piperazine-2,5-dione" . "6-[2,2-di(phenyl)ethylamino]-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide" . "4-(pyrimidin-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one" . "(1S,2R,3S,4R,5S)-4-(6-{[(3-chlorophenyl)methyl]amino}-2-[2-(3,4-difluorophenyl)ethynyl]-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide" . "1-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}pentan-2-one" . "[(2S,5R)-2-(2-aminoethoxycarbamoyl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate" . "4-[[(2R)-1-(1-benzothiophene-3-carbonyl)-2-methylazetidine-2-carbonyl]-[(3-chlorophenyl)methyl]amino]butanoic acid" . "(2S)-N,N-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine" . "1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea" . "4-(6-ethoxy-1-methoxythioxanthen-9-ylidene)-1-methylpiperidine" . "N-[(1R,5S)-8-[(2R)-2-hydroxy-3-(methyl-methylsulfonylamino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide" . "methyl 4-[[4-[[(2-propan-2-yl1H-benzimidazole-4-carbonyl)amino]methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate" . "6-[4-(2-phenylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide" . "[(1S)-3-[4-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]piperidin-1-yl]-1-(4-fluorophenyl)propyl] carbamate" . "5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole" . "2-[3-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine" . "3-(3-fluorophenyl)sulfonyl-8-(4-methylpiperazin-1-yl)quinoline" . "2a-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one" . "3-(4-chlorophenyl)-1-(phenylmethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-d]azepine" . "3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide" . "5-amino-N-butyl-2-(4-ethoxyphenoxy)benzamide" . "3-methyl-N-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]benzamide" . "(2R)-4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine" . "2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole" . "methyl 3-[(4S)-8-bromo-2-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl]propanoate" . "6-chloro-3-methyl-1-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol" . "ethyl (NZ)-N-[amino-[4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]methylidene]carbamate" . "[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (E)-3-[4-(2-dimethylaminoethoxy)phenyl]prop-2-enoate" . "[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phosphonooxyphosphoryl]boron(1-)" . "2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide" . "1-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-3-[4-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethylcarbamoylamino]butyl]urea" . "[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]boronic acid" . "4-(4-Chloro-2-methylphenoxy)-N-hydroxybutanamide" . "6-[(2R)-4-(4-benzyl-7-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile" . "2-[[4-hydroxy-1-methyl-7-(phenoxy)isoquinoline-3-carbonyl]amino]acetic acid" . "2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]acetic acid" . "2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one" . "N-(2-chlorophenyl)-4-[[2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]anilino]-5-fluoropyrimidin-4-yl]amino]benzamide" . "1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-2-(2-methoxy-6-propan-2-ylphenoxy)ethanone" . "4-imino-1-(2-phenylphenoxy)-4-piperidin-1-ylbutan-2-ol hydrochloride" . "4-[[4-fluoro-3-(4-methoxypiperidine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one" . "4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(4-methylsulfonylphenyl)pyrimidin-2-amine" . "2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide" . "3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide" . "5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile" . "(3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine" . "4-Phenylbutanoic acid" . "1-[4-[6-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine" . "(3-chlorophenyl) 6-(bromomethyl)-2-oxochromene-3-carboxylate" . "1-[[(2R,4R)-2-[2-(4-chlorophenyl)ethyl]-4-methyl-1,3-dioxolan-2-yl]methyl]imidazole" . "(2R)-N-[(2S)-1-[(6-aminopyridin-3-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-1-ethylpyrrolidine-2-carboxamide" . "4-amino-3H-pyrimidin-2-one" . "1-(2-methylpropyl)-3-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridine-4-carbonitrile" . "5-methylnaphtho[2,1-d]oxazol-2-amine" . "2-[(3E)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(3-carbamoylphenyl)-4-oxocyclohexa-1,5-dien-1-yl]butanedioic acid" . "5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide" . "2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxo-1-cyclobutenyl]amino]benzamide" . "(2R)-2-[4-(2-methylpropyl)phenyl]-N-methylsulfonylpropanamide" . "3-(2-chloro-3-fluorophenyl)-1-(4-chloro-2-hydroxy-3-piperazin-1-ylsulfonylphenyl)urea" . "1-[4-chloro-2-hydroxy-3-[(3S)-piperidin-3-yl]sulfonylphenyl]-3-(3-fluoro-2-methylphenyl)urea" . "[2-[[5-[(4-fluorophenyl)carbamoyl]pyridin-2-yl]sulfanylmethyl]phenyl]boronic acid" . "2-[3-[6-[4-(trifluoromethoxy)phenyl]sulfonyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-7-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol" . "2-[4-[2-[5-(cyclopentylmethyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid" . "2-[(5R)-4-(2-{3-[(3-methylbutanoyl)oxy]phenyl}acetyl)-8-(trifluoromethyl)-1H,2H,3H,4H,5H-pyrido[2,3-e][1,4]diazepin-5-yl]acetic acid" . "2-[(5R)-4-{2-[3-(3-methylbutoxy)phenyl]acetyl}-8-(trifluoromethyl)-1H,2H,3H,4H,5H-pyrido[2,3-e][1,4]diazepin-5-yl]acetic acid" . "2-[(5R)-4-(2-{3-[(6-methylpyridin-3-yl)oxy]phenyl}acetyl)-8-(trifluoromethyl)-1H,2H,3H,4H,5H-pyrido[2,3-e][1,4]diazepin-5-yl]acetic acid" . "(4-methylpiperazin-1-yl)-(5-nitro-3-phenyl-1H-indol-2-yl)methanone" . "N-[(Z)-1-furan-2-yl-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide" . "N-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide" . "2-[2-[[5-[(4-bromophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine" . "8-[4-(3-chlorophenyl)benzoyl]-3-(pyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octane" . "6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-2-carboxamide" . "1-isoquinolin-6-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea" . "L-cysteinyl-L-arginyl-L-prolyl-L-arginyl-L-leucyl-L-cysteinyl-L-histidyl-L-lysyl-glycyl-L-prolyl-L-methionyl-L-prolyl-L-phenylalanine (1->6)-disulfide" . "8-[(1R)-1-[(3,5-difluorophenyl)amino]ethyl]-N,N-dimethyl-2-(morpholin-4-yl)-4-oxo-4H-chromene-6-carboxamide" . "(4-methylphenyl) 4-(diaminomethylideneamino)benzoate" . "{2-[6-chloro-3-({3H-spiro[2-benzofuran-1,4'-piperidine]-1'-yl}carbonyl)-2,3-dihydro-1H-indol-1-yl]ethyl}dimethylamine" . "2-[1-[4-[[(2S)-4,6-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]-2-methylindol-4-yl]acetic acid" . "3-[[4-(4-cyanophenyl)phenoxy]methyl]-1-(4-methoxybenzoyl)pyrrolidine-3-carboxylic acid" . "(NZ)-N-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydroxylamine" . "2-chloro-N-{2-methoxy-4-[(E)-2-(pyridin-2-yl)diazen-1-yl]phenyl}benzamide" . "7-hydroxy-3-(4-iodophenoxy)chromen-4-one" . "2-[4-(diethylamino)phenyl]-N-[3-(2-methyl-1H-indol-1-yl)propyl]acetamide" . "tert-butyl N-[(4S)-4-[(2S)-2-{[(9,9a-dihydro-4aH-fluoren-9-ylmethoxy)carbonyl]amino}-3-cyclohexylpropanamido]-4-[(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)carbamoyl]butyl]carbamate" . "N‐{3‐[5‐(4‐chlorophenyl)‐1‐[(4,5‐dimethoxy‐2‐nitrophenyl)methyl]‐1H‐pyrrolo[2,3‐b]pyridine‐3‐carbonyl]‐2,4‐difluorophenyl}propane‐1‐sulfonamide" . "3-[(1S,2S)-2-hydroxycyclohexyl]-6-{[6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl]methyl}-3H,4H-benzo[h]quinazolin-4-one" . "6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrimidine-2-carboxamide" . "N-[4-[[4-[2-(4-chloro-2-methylphenyl)ethyl]piperidin-1-yl]sulfonylmethyl]-1-(cyclobutanecarbonyl)piperidin-4-yl]-N-hydroxyformamide" . "(1R,2R,4R)-2-(4-bromophenyl)-N-[(4-chlorophenyl)-(2-fluoropyridin-4-yl)methyl]-4-morpholin-4-ylcyclohexane-1-carboxamide" . "4-[[(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoic acid" . "N-[(2S)-1-oxo-3-phenyl-1-[4-(2-pyridin-2-ylquinazolin-4-yl)piperazin-1-yl]propan-2-yl]acetamide" . "(2R)-2-[1,3-benzodioxol-5-ylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-thiophen-2-ylpropanamide" . "[(2S)-1-[(2R)-3-methyl-2-(pyridin-4-ylformamido)butanoyl]pyrrolidin-2-yl]boronic acid" . "7-amino-1-bromo-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one" . "(4S)-4-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid" . "methyl 4-[[(2S)-2-[[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]benzoate" . "(2-hydroxycyclopentyl) 4-(hydroxycarbamoyl)-4-[[4-(2-methylphenyl)piperidin-1-yl]sulfonylmethyl]piperidine-1-carboxylate" . "benzyl N-[1-[[1-[(2-hydroxy-2-phenylethyl)amino]-1,2-dioxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate" . "(Z)-3-(5-bromo-1H-indol-3-yl)-2-sulfanylprop-2-enoic acid" . "4-[5-(1-methylpyrazol-4-yl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]benzonitrile" . "N-[(2R,3S)-2-(4-chlorophenyl)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxopiperidin-3-yl]-2-methylpropane-1-sulfonamide" . "4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide" . "N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-methoxybenzamide" . "(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]prop-2-enoylamino]-3-methylbutanoyl]amino]propanoic acid" . "1-chloro-11-[2-(1-methylpiperidin-4-yl)acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one" . "11-[2-[4-(4-diethylaminobutyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one" . "2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]pyridine-4-carboxamide" . "[(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone" . "N-[6-oxo-6-[(3S,4S)-3-[(4-phenoxyphenyl)sulfonylamino]-4-sulfanylpyrrolidin-1-yl]hexyl]acetamide" . "(4R,5S,6S)-4-(1-benzothiophen-3-yl)-6-ethoxy-5-(3-hydroxypropyl)-N-phenyl-5,6-dihydro-4H-pyran-2-carboxamide" . "N-(1H-benzimidazol-2-ylmethyl)-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine" . "(2R)-1-[(2S)-2-aminobutanoyl]-4-fluoro-N-(2,2,2-trifluoroethyl)-2,3-dihydroindole-2-carboxamide" . "4-(cyclopropylmethoxy)-N-[8-methyl-3-[(1R)-1-pyrrolidin-1-ylethyl]quinolin-7-yl]benzamide" . "1-[4-[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropoxy]phenyl]cyclopropane-1-carboxylic acid" . "2-[1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-methoxycarbonylpyrrol-3-yl]acetic acid" . "3-[1-[(2S,3S)-3-(4-acetyl-3,5-dimethoxyphenyl)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-hydroxypropyl]-4-methoxycarbonylpyrrol-3-yl]propanoic acid" . "5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]-1,2-oxazole-3-carboxamide" . "(1R,2R,4S,5S)-7-{[2-hydroxy-2,2-bis(thiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-9-ium" . "2-acetyloxyethyl-trimethylazanium" . "1-methyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one" . "trimethyl-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]azanium" . "methyl N-[(2S)-2-[4-[5-[4-[[(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl]amino]phenyl]pentoxy]phenyl]-3-quinolin-3-ylpropyl]carbamate" . "methyl N-[(2S)-2-[5-[5-[4-[[(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl]amino]phenyl]pentyl]-2-fluorophenyl]-3-quinolin-3-ylpropyl]carbamate" . "tert-butyl N-[(2S)-2-(2,5-difluorophenyl)-3-quinolin-3-ylpropyl]carbamate" . "3-[1-difluoroboranyl-5-[(E)-(5-thiophen-2-ylpyrrol-2-ylidene)methyl]pyrrol-2-yl]-N-[6-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]hexyl]propanamide" . "4-[4-(1-benzofuran-5-yl)phenyl]-3-[[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazol-5-one" . "(4-nitrophenyl) 4-[(3-phenoxyphenyl)methyl]piperazine-1-carboxylate" . "(2S)-1-[(2S)-2-amino-3-naphthalen-1-ylpropanoyl]pyrrolidine-2-carbonitrile" . "dimethyl (3R)-3-cyclopentyl-4-oxo-3-phenyldiazetidine-1,2-dicarboxylate" . "2-(9H-carbazol-9-yl)-N-(2-chloro-6-cyanophenyl)acetamide" . "N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide" . "(6E)-6-[(2E)-2-(1H-quinolin-2-ylidene)ethylidene]cyclohexa-2,4-dien-1-one" . "(2S)-2-amino-2,3,3-trideuterio-3-(3,4-dihydroxyphenyl)propanoic acid" . "2-[[(2R)-1-[[(2S)-3-(4-aminophenyl)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetic acid" . "[(2S)-1-phenylpropan-2-yl] N-[(2S)-1-oxohexan-2-yl]carbamate" . "benzyl N-[(2S)-1-[[1-[3-(6-amino-2-methoxypurin-9-yl)propylamino]-1,2-dioxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate" . "benzyl N-[(2S)-1-[[4-[3-(6-aminopurin-9-yl)propylamino]-3,4-dioxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate" . "phenylmethyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate" . "N-(1-ethylpiperidin-3-yl)-6-iodo-2-(trifluoromethyl)quinazolin-4-amine" . "[(1R)-3-methyl-1-[3-(1-oxoisoquinolin-2-yl)propanoylamino]butyl]boronic acid" . "2-[2-[(4-amino-2-fluorophenyl)methylcarbamoyl]-5-chlorophenoxy]acetic acid" . "2-[2-[[[(2S,6S,9E,13S)-13-amino-2-[(4-hydroxyphenyl)methyl]-4,14-dioxo-1,5-diazacyclotetradec-9-ene-6-carbonyl]amino]methyl]phenyl]acetic acid" . "2-amino-N-(1-cyano-2-phenylethyl)acetamide" . "(2S)-2-(2-aminoethoxy)-3-(1-phenylimidazol-4-yl)propanoic acid" . "(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]pentanediamide" . "3-(4-methoxybenzoyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione" . "(3S,8R,9S,10R,13S,14S)-17-(benzimidazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol" . "4-[(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methyl]-1,4-oxazepane" . "(2S)-3-(4-phenylphenyl)-2-[[(2R)-3-phenyl-2-sulfanylpropanoyl]amino]propanoic acid" . "5-[[5-[[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl]pyridin-2-yl]methylsulfamoyl]-2-hydroxybenzoic acid" . "(2S)-1-[(2S,3R)-2-[[(2R,3R)-3-amino-2-sulfanyl-5-sulfopentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2,3-dicarboxylic acid" . "(2S)-1-[(2R,3S)-3-amino-2-hydroxy-5-methylhexanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide" . "[4-(3-ethoxyphenyl)phenyl]methyl (2S)-2-[[(1S)-3-amino-1-cyano-3-oxopropyl]carbamoyl]pyrrolidine-1-carboxylate" . "(4S)-5-cyclohexyl-2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-[[(2S)-2-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]pent-4-enoyl]amino]-3-oxopentanamide" . "4-[[[5-(2-ethoxycarbonyl-1H-indol-5-yl)-1-methylpyrazole-3-carbonyl]amino]methyl]benzoic acid" . "4-(4-ethylpiperazin-1-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]benzamide" . "3-methyl-5-(5-methylpyridin-3-yl)-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one" . "5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one" . "4-[5-(6-methoxynaphthalen-2-yl)-1-methyl-2-(2-methyl-4-methylsulfonylphenyl)imidazol-4-yl]pyridine" . "4-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(trifluoromethyl)pentanamide" . "2-N-[2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-N-quinolin-5-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine" . "3-[(2-bromophenyl)methoxy]-5-[6-(trifluoromethyl)benzimidazol-1-yl]thiophene-2-carboxamide" . "1-[5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(trifluoromethyl)phenyl]methoxy}thiophen-2-yl]ethen-1-amine" . "1-{3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)thiophen-2-yl}ethen-1-amine" . "5-(3-nitrophenyl)-1,3,4-oxathiazol-2-one" . "(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-4,4-dimethylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid" . "3-[2-[5-tert-butyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]butanoylamino]-5-(hexyl-methylamino)-4-oxopentanoic acid" . "5-[[(3S)-3-[benzyl-(7-methoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]thiophene-2-carboximidamide" . "5-(diaminomethylideneamino)-2-(sulfanylmethyl)pentanoic acid" . "(2S)-5-amino-2-[(1-propylimidazol-4-yl)methyl]pentanoic acid" . "(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-6-amino-N-[(4-carbamimidoylphenyl)methyl]hexanamide" . "(2S)-2-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoylamino]pentanedioic acid" . "4,5,6,7-tetrachloroindene-1,3-dione" . "3-amino-2-(benzoyl)-6-oxo-7H-thieno[3,2-e]pyridine-5-carboxylic acid" . "(1S,2R,8S,10aR,12aS)-1,8-difluoro-2,10a,12a-trimethyl-1,2,3,4,4a,4b,5,7,8,9,10,10b,11,12-tetradecahydrochrysene" . "N-[4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide" . "5-(7-fluoro-3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-methylpyrrole-2-carbonitrile" . "[(2S)-3-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-[(2-methoxyphenyl)sulfanylmethyl]-3-oxopropyl]-[(1R)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid" . "(2S)-6-amino-2-[[4-amino-3-[[(2S)-2-amino-4-phenylbutanoyl]amino]benzoyl]amino]hexanoic acid" . "[3,4-dihydroxy-2,5-bis(4-hydroxyphenyl)-6-(2-phenylacetyl)oxyphenyl] 2-phenylacetate" . "(2S)-1-[(2R)-2-(benzylsulfonylamino)-5-(diaminomethylideneamino)pentanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide" . "3-anthracen-9-yl-1H-quinazoline-2,4-dione" . "2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]propanoyl]amino]acetic acid" . "(6E)-6-[(2E)-2-(1H-quinolin-2-ylidene)ethylidene]cyclohexa-2,4-dien-1-one" . "methyl (2S)-1-[(2R)-2-[[(2S)-2-[[(2S,3R)-2-[[(3S,4S)-4-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[(2S)-2-[(2S)-2-(dimethylamino)-3-methylbutanoyl]oxy-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate" . "2-[2-(diaminomethylideneamino)ethylsulfanylmethyl]-3-sulfanylpropanoic acid" . "(2S)-2-(phenylmethyl)-3-sulfanylpropanoic acid" . "(2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide" . "(4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide" . "methyl (5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenyl3,6-dihydro-2H-pyridine-1-carbonyl)-7-azaspiro[2.5]octane-7-carboxylate" . "(2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide" . "Ade-MeOEt(-2)Ribf-sP-Gua-MeOEt(-2)Ribf-sP-m5Cyt-MeOEt(-2)Ribf-sP-Thy-MeOEt(-2)Ribf-sP-Thy-MeOEt(-2)Ribf-sP-m5Cyt-dRibf-sP-dThd-sP-dThd-sP-dGuo-sP-dThd-sP-m5Cyt-dRibf-sP-m5Cyt-dRibf-sP-dAdo-sP-dGuo-sP-m5Cyt-dRibf-sP-Thy-MeOEt(-2)Ribf-sP-Thy-MeOEt(-2)Ribf-sP-Thy-MeOEt(-2)Ribf-sP-Ade-MeOEt(-2)Ribf-sP-Thy-MeOEt(-2)Ribf" . "7-amino-2-pyridin-2-ylquinoline-5,8-dione" . "(4Z)-5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(4,5-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carboxylic acid" . "4-{3-[(1-amino-2-chloroethyl)amino]propyl}-1-{[3-(2-chlorophenyl)phenyl]methyl}-5-hydroxyimidazolidin-2-one" . "N-[(2S)-1-amino-5-[(1-amino-2-chloroethylidene)amino]-1-oxopentan-2-yl]benzamide" . "N-[(2S,3R)-3-hydroxy-4-[(3-methylphenyl)methylamino]-1-phenylbutan-2-yl]benzo[b][1]benzoxepine-6-carboxamide" . "2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine" . "2,4,6-trimethyl-N-[[4-(3-methylsulfonylphenyl)phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide" . "ethyl 5-[[[4-(3-methylsulfonylphenyl)phenyl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]furan-2-carboxylate" . "4-[[butyl-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]amino]methyl]-2,6-dichlorophenol" . "[(2R,3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl] (2S)-2-amino-3-methylbutanoate" . "2-bromo-N-[(2-bromoethylamino)-[(3-methyl-2-nitroimidazol-4-yl)methoxy]phosphoryl]ethanamine" . "1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-yl-5-[5-[2-[4-(trifluoromethyl)phenyl]ethynyl]thiophen-2-yl]pyrazole-3-carboxamide" . "5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione" . "1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione" . "(6S)-2-amino-6-[3-chloro-5-(5-prop-1-ynylpyridin-3-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one" . "N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide" . "(3R,11bR)-3-(2-methylpropyl)-9,10-bis(trideuteriomethoxy)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one" . "6-ethyl-3-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide" . "5-[3-[(1S)-1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile" . "5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyridin-2-amine" . "4-[(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methyl]morpholine" . "(NE)-4-chloro-N-[methoxy-(4-nitrophenyl)-$l^{4}-sulfanylidene]benzenesulfonamide" . "(E)-2-(1,3-benzothiazol-2-yl)-3-[9-methyl-2-(3-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile" . "(E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile" . "(4Z)-1-(3-fluorophenyl)-4-(2-oxo-1H-indol-3-ylidene)pyrazolidine-3,5-dione" . "(5Z)-1-(2-fluorophenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-diazinane-4,6-dione" . "(5E)-1-(4-fluorophenyl)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione" . "(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione" . "2-(3-methoxypropyl)-3-oxo-1H-isoindole-4-carboxamide" . "8-[[(3R,4R)-3-[(1,1-dioxothian-4-yl)methoxy]piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one" . "N-[5-[[(3-fluorophenyl)carbamoylamino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide" . "(2S)-2-amino-N-(6-aminopyridin-2-yl)propanamide" . "2,6-difluoro-N-[2-fluoro-5-[5-[2-[(6-morpholin-4-ylpyridin-3-yl)amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide" . "N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide" . "methyl 4-[[2-fluoro-3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate" . "2-[4-(5-fluoropyridin-2-yl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide" . "5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol" . "2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyridin-4-yl]amino]-N-methylbenzamide" . "pyridine-2,4-dicarboxylic acid" . "(5Z)-5-[[3-chloro-4-(2-cyclohexylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione" . "3-(4-hydroxy-3,5-diiodobenzoyl)-2-propylchromen-4-one" . "[(1R)-1-[[(2S)-1-[(2R)-2-acetamido-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-(diaminomethylideneamino)butyl]boronic acid" . "2-[6-(2-cyclopropylethoxy)-9-(2-hydroxy-2-methylpropyl)-1H-phenanthro[9,10-d]imidazol-2-yl]-5-fluorobenzene-1,3-dicarbonitrile" . "(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-[2-oxo-2-[(2S,4S)-2,4,5,12-tetrahydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl]sulfanylpropan-2-yl]amino]-5-oxopentanoic acid" . "2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one" . "2-[2-ethyl-1-oxamoyl-3-[[2-(phenylmethyl)phenyl]methyl]indolizin-8-yl]oxyacetic acid" . "[2-fluoro-4-[2-(4-methoxyphenyl)ethynyl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone" . "[(8R,9S,13S,14S,17S)-13-methyl-3-sulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate" . "3-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide" . "4-fluoro-N-methyl-N-[4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide" . "3-[(4-morpholin-4-ylbenzoyl)amino]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-1H-thieno[5,4-d]pyrazole-5-carboxamide" . "2-[(3-chloro-2-methylphenyl)amino]benzoic acid" . "3,6-dihydroxy-8,8-dimethyl-1-oxo-3,4,7,9-tetrahydrocyclopenta[h]isochromene-5-carbaldehyde" . "1-[3-(4-decoxyphenoxy)-2-oxopropyl]-3-methoxycarbonylindole-5-carboxylic acid" . "[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-6-(2-pyridin-2-ylethylcarbamoyloxy)-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] acetate" . "6-methoxy-N2-(3-methoxypropyl)-N4-{4-phenyl-5-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-1,3-thiazol-2-yl}-1,3,5-triazine-2,4-diamine" . "4-cyclohexyl-N-(2-methylphenyl)benzenesulfonamide" . "3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one" . "2-[4-[di(phenyl)methyl]piperazin-1-yl]ethyl 5-[(4R,6R)-4,6-dimethyl-2-oxo-1,3-dioxa-2$l^{5}-phosphacyclohex-2-yl]-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylate" . "N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide" . "tert-butyl 5-[2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethylcarbamoyl]thiophene-2-carboxylate" . "3-[4-carbamoyl-1-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]benzoic acid" . "[2-(4-chlorophenyl)-2-oxoethyl] 4-[(3-phenylmethoxybenzoyl)amino]benzoate" . "5-fluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide" . "N-[(2S)-1-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]naphthalene-2-carboxamide" . "[(E)-hept-2-enyl] 6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate" . "N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[2,1-f]pyridazin-6-amine" . "4-[2-(2,4-dihydroxyphenyl)ethyl]benzene-1,3-diol" . "[4-[2,2-bis(3-methyl-1,2,4-oxadiazol-5-yl)-5-phenylpentyl]phenyl]sulfamic acid" . "2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)benzo[g]indol-4-yl]oxyacetic acid" . "2-[3-[2-[1-(4-chlorophenyl)-5-thiophen-2-ylpyrazol-3-yl]phenyl]phenoxy]-2-methylpropanoic acid" . "5,7-dihydroxy-2-phenylchromen-4-one" . "ethyl 3-imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanoate" . "5-(ethoxymethyl)-N-[(3-methylimidazol-4-yl)methyl]-1-(5-methyl-4-piperidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide" . "2-[[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]amino]benzoic acid" . "7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)-3-(pyrazin-2-ylmethylamino)pyrido[3,4-b]pyrazin-2-one" . "2-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1H-pyrimidin-4-one" . "N-[2-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]phenoxy]ethyl]-N-methylthiophene-2-sulfonamide" . "(Z)-6-[2-[2-(4-bromophenoxy)propan-2-yl]-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid" . "8-[(3-methylpyridin-2-yl)methyl]-1-(4-oxo-1H-pyrimidin-6-yl)-3-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione" . "2,3-bis[(2,4-dichlorophenyl)methoxy]benzoic acid" . "(6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "4-[[(2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]aniline" . "1,3-dihydroxypropan-2-yl formate" . "(2S)-1-[(2S)-1-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]pyrrolidine-2-carbonyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide" . "1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-di(phenyl)hexan-2-yl]carbamate" . "N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]pyridin-3-yl]-1,3-benzothiazol-2-yl]acetamide" . "(2S)-2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid" . "1-methyl-4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium" . "(3S,4R)-4-(6-chloro-3-oxo-1,2-benzoxazol-2-yl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile" . "[2-[2-(carbamimidoylsulfanylmethyl)-4-fluorophenyl]sulfanyl-5-nitrophenyl]methyl carbamimidothioate" . "(3S)-3-amino-1-hydroxy-6-phenoxy-3,4-dihydroquinolin-2-one" . "(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoyl]amino]-6-(ethanethioylamino)hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid" . "N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]tetradecanamide" . "7-[benzyl(methyl)amino]-2-oxochromene-3-carboxylic acid" . "(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-4-(phenylsulfonimidoyl)butan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol" . "7-nitro-N-(2-phenylethyl)-1H-indole-2-carboxamide" . "6-[4-(2-hydroxyphenyl)phenyl]quinoline-2,3,4-triol" . "5-[[12-[[(3S,3aR,4S,6S,6aR,7S,9bS)-6-acetyloxy-3,3a-dihydroxy-3,6,9-trimethyl-7-octanoyloxy-2,8-dioxo-5,6a,7,9b-tetrahydro-4H-azuleno[4,5-b]furan-4-yl]oxy]-12-oxododecyl]amino]-2-amino-5-oxopentanoic acid" . "(5E)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione" . "2-[4-[4-[3,4-bis[2-(diethylamino)ethoxy]phenyl]butyl]-2-[2-(diethylamino)ethoxy]phenoxy]-N,N-diethylethanamine" . "(2E)-1-propan-2-yl-2-[(1-propan-2-ylquinolin-1-ium-4-yl)methylidene]quinoline" . "1-[4-[4-[2-[4-chloro-3-(diethylsulfamoyl)anilino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methylurea" . "N-[2-(2-chlorophenyl)ethyl]-4-[[3-(2-methylphenyl)piperidin-1-yl]methyl]-N-pyrrolidin-3-ylbenzamide" . "5-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[5,4-e]pyrimidin-5-yl)phenyl]sulfonylamino]-2-hydroxybenzoic acid" . "9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one" . "(2S)-2-amino-5-(1-aminobut-3-enylideneamino)pentanoic acid" . "3-[(3,4-dichlorophenyl)methylsulfanyl]thiophene-2-carboxylic acid" . "4-[4-[hydroxy-di(phenyl)methyl]piperidin-1-yl]-1-(4-propylphenyl)butan-1-one" . "4-amino-N-(2-phenylpyrazol-3-yl)-N-propan-2-ylbenzenesulfonamide" . "2-[(2-methoxyphenyl)amino]-2-[2-(phenylmethoxy)phenyl]acetonitrile" . "N-[(4-bromophenyl)methyl]-2-{4-[(2-phenylethyl)sulfamoyl]phenoxy}acetamide" . "1-tert-butyl-3-(4-methylphenyl)pyrazolo[4,5-e]pyrimidin-4-amine" . "1-[2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-one" . "(E)-3-[3-chloro-4-[3-(3,5-dimethyl-1-adamantyl)-4-hydroxyphenyl]phenyl]prop-2-enoic acid" . "N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide" . "(1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-6a-[(E)-4-(4-hydroxyphenyl)-2-oxobut-3-enyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid" . "[3,4-bis(dihydroxyphosphinothioyloxy)-2,5,6-trihydroxycyclohexyl] dihydrogen phosphate" . "(1S,3R,4R,5R)-1-[[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]methoxy]-3,4-dihydroxy-5-[(Z)-3-imidazo[4,5-b]pyridin-1-yl-3-phenylprop-2-enoyl]oxycyclohexane-1-carboxylic acid" . "(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide" . "[(3S,4R)-1,1-difluoro-3-(hexadecanoylamino)-4-hydroxy-4-phenylbutyl]phosphonic acid" . "(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-4-(2-methylsulfonylethyl)-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromene" . "6-(3,5-difluoroanilino)-9-(2,2-difluoroethyl)purine-2-carbonitrile" . "4-[(4-cyclohexylphenyl)methyl-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methylamino]acetyl]amino]-2-hydroxybenzoic acid" . "octadec-17-ynoic acid" . "2-[(2-bromophenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one" . "(E,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-methylsulfonylpent-4-enoic acid" . "2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol" . "(3S,6S,10aS)-N-benzhydryl-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide" . "2-(2-chloro-6-fluorophenyl)-7-phenyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one" . "3-[2-(3-chlorophenyl)ethynyl]-6-hydroxy-2-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]-1-benzofuran-5-carboxylic acid" . "[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate" . "(2S)-2-amino-3-cyanopropanoic acid" . "(E,2S)-2-amino-4-(2-aminoethoxy)but-3-enoic acid" . "4-[(2E)-2-(2-amino-3-chloro-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-N-pyridin-2-ylbenzenesulfonamide" . "N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]-3-methylphenyl]prop-2-enamide" . "2-((5-chloro-2-((4-((4-methylpiperazin-1-yl)methyl)phenyl)amino)pyrimidin-4-yl)amino)-N,N-dimethylbenzenesulfonamide" . "8-[(1R)-1,2-dihydroacenaphthylen-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one" . "6-fluoro-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine" . "1-[1-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)piperidin-4-yl]-3H-indol-2-one" . "8-[bis(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol" . "(1R,5S)-8-[bis(2-chlorophenyl)methyl]-3-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-ol" . "3-(3-stibonophenyl)propanoic acid" . "3-[(4-chlorophenyl)methoxy]-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide" . "N-[(E,2R)-1-hydroxy-4-tridecylsulfanylbut-3-en-2-yl]octanamide" . "1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone" . "1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid" . "N-[(2S)-1-(11-aminoundecylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide" . "2-tert-butyl-1'-(2-methoxyquinoline-7-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one" . "(5Z)-5-[[4-hydroxy-3-(trifluoromethyl)phenyl]methylidene]-3-[4,4,4-trifluoro-2-methyl-2-(2,2,2-trifluoroethyl)butyl]-1,3-thiazolidine-2,4-dione" . "2-[(6-chloro-7-methyl-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-methylsulfonylamino]acetic acid" . "1-(4-methylphenyl)sulfonylbenzimidazol-2-amine" . "1-[6-[2-[3-[3-[3-[2-[2-[3-[[2-[2-[[(2R)-1-[[2-[[(2R)-1-[3-[2-[2-[3-[[2-(2-amino-2-oxoethoxy)acetyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-[(2R)-2,3-di(hexadecanoyloxy)propyl]sulfanyl-1-oxopropan-2-yl]amino]-2-oxoethoxy]acetyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]ethylamino]-6-oxohexyl]-2-[(1E,3E,5Z)-5-(1-ethyl-5-sulfonato-3H-indol-2-ylidene)penta-1,3-dienyl]-3H-indol-1-ium-5-sulfonate" . "(2S)-2-[6-[(2,4-diaminopteridin-6-yl)methylamino]-3-oxo-1H-isoindol-2-yl]pentanedioic acid" . "N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-4-(quinolin-4-ylamino)benzamide" . "7-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide" . "[2-amino-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone" . "7-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione" . "4-[4,4-difluoro-1-(2-fluorophenyl)cyclohexyl]phenol" . "2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(1E)-(hydroxyimino)methyl]phenol" . "7-hydroxy-2-(4-hydroxyphenyl)chroman-4-one" . "5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione" . "4-[(Z)-1-[4-(2-dimethylaminoethoxy)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol" . "(3S)-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide" . "6-piperidin-4-yloxy-2H-isoquinolin-1-one" . "2-(dimethylamino)-N-(1-oxo-2H-isoquinolin-6-yl)-2-thiophen-3-ylacetamide" . "6-(2,4-dichlorophenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one" . "4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide" . "6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one" . "3-[6-(2-hydroxypropan-2-yl)pyridin-3-yl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one" . "1-(4-{5-[5-amino-6-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1-ethyl-1H-1,2,4-triazol-3-yl}piperidin-1-yl)-3-hydroxypropan-1-one" . "6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one" . "2-[(1S)-1-[4-amino-3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-fluoro-3-(3-fluorophenyl)chromen-4-one" . "N-[(1S)-1-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine" . "8-[5-(2-hydroxypropan-2-yl)pyridin-3-yl]-1-[(2S)-2-methoxypropyl]-3-methylimidazo[4,5-c]quinolin-2-one" . "1-(2-hydroxynaphthalen-1-yl)disulfanylnaphthalen-2-ol" . "4-[3-(4-amino-1,3,5-triazin-2-yl)-2-methylbenzimidazol-5-yl]-2-methylbut-3-yne-1,2-diol" . "1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine" . "3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine" . "N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide" . "4-cyano-N-[2-(4,4-dimethylcyclohex-1-en-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)pyridin-3-yl]-1H-imidazole-2-carboxamide" . "1-(3,3-dimethylbutyl)-3-[2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]urea" . "8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one" . "1-butyl-3-chloro-4-(4-phenyl-1-piperidinyl)-2(1H)-pyridinone" . "N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[(2R,3S)-3,4-dihydroxybutan-2-yl]oxypyrimidin-4-yl]azetidine-1-sulfonamide" . "6,7-dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine" . "4-{4-[(dimethylamino)methyl]-2,5-dimethoxyphenyl}-2-methyl-1,2-dihydro-2,7-naphthyridin-1-one" . "N-cyclopropyl-2-(propane-1-sulfonyl)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-indol-5-yl]pyrimidin-4-amine" . "N-hydroxy-2-[[2-(6-methoxypyridin-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]pyrimidine-5-carboxamide" . "2-(cyclobutylamino)-N-[(2S)-2-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]pyridine-4-carboxamide" . "(2-aminoethyl)(methyl)({4-[4-(propan-2-yloxy)phenyl]-1H-pyrrol-3-yl}methyl)amine" . "5-[(2R)-3-acetyl-4-methyl-6-oxo-5-[3-(trifluoromethyl)phenyl]-1,2,5,6-tetrahydropyridin-2-yl]pyridine-2-carbonitrile" . "4-(cyclopropylamino)-2-[4-(4-ethylsulfonylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide" . "5-[[(1R,1aS,6bR)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one" . "6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridazine-3-carboxamide" . "2-methyl-1-[[4-[6-(trifluoromethyl)pyridin-2-yl]-6-[[2-(trifluoromethyl)pyridin-4-yl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol" . "(7S)-1-[(4-fluorophenyl)methyl]-3-N-(4-methoxy-3,5-dimethylphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,6-dihydropyrazolo[4,3-c]pyridine-3,7-dicarboxamide" . "N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide" . "4-fluoro-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide" . "1-amino-4-(anthracen-2-ylamino)-9,10-dioxoanthracene-2-sulfonate" . "8-[(1S)-1-anilinoethyl]-6-methyl-2-morpholin-4-ylchromen-4-one" . "[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone" . "2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide" . "N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide" . "1-[8-(4-ethylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]piperidine-4-carboxamide" . "ethyl 3-{[2-(pyridin-2-yl)-6-(2,3,4,5-tetrahydro-1H-3-benzazepin-3-yl)pyrimidin-4-yl]amino}propanoate" . "2-{[(1R,2S)-2-[4-(benzyloxy)phenyl]cyclopropyl]amino}-1-(4-methylpiperazin-1-yl)ethan-1-one" . "(1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate" . "1-{7-[2-amino-6-(4-methylpiperazin-1-yl)-1,2-dihydropyrimidin-4-yl]-1,2,3,4-tetrahydroisoquinolin-2-yl}-3-cyclopentylpropan-1-one" . "4-N-[(2,6-dichlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine" . "4-[(3R)-3-aminopyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine" . "N'-(cyclopropylmethyl)-6-[(3R)-3-methylaminopyrrolidin-1-yl]pyrimidine-2,4-diamine" . "[3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium" . "(4Z)-4-[3-(2,5-dichloro-4,6-dimethyl-1-oxidopyridin-1-ium-3-yl)-2H-1,2,4-oxadiazol-5-ylidene]-2-hydroxy-6-nitrocyclohexa-2,5-dien-1-one" . "5-[(4-fluorophenyl)methyl]-N,N-dimethyl-1H-1,2,3,4-tetrazole-1-carboxamide" . "4-[3-(carbamoylamino)phenyl]-N-cyclopentyl-N-methylimidazole-1-carboxamide" . "3-(1-{2-[(2R,5S)-2-[2-(4-tert-butylpiperazin-1-yl)-3-fluorophenyl]-3-(3,3-dimethylbutyl)-4-oxo-1,3-thiazolidin-5-yl]acetyl}piperidin-4-yl)-2,3,4,5,5a,9a-hexahydro-1H-1,3-benzodiazepin-2-one" . "2-[2-methyl-1-[[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methyl]pyrrolo[5,4-b]pyridin-3-yl]acetic acid" . "2-[2-methyl-1-[(4-methylsulfonylphenyl)methyl]pyrrolo[5,4-b]pyridin-3-yl]acetic acid" . "(2S)-2-(3-fluoro-4-{3-[(hexylcarbamoyl)oxy]phenyl}phenyl)propanoic acid" . "(2R)-2-(3-fluoro-4-{3-[(hexylcarbamoyl)oxy]phenyl}phenyl)propanoic acid" . "N-cyclohexyl-N-methyl-4-(1-oxidopyridin-1-ium-3-yl)imidazole-1-carboxamide" . "4-[(R)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide" . "N,N-diethyl-3-hydroxy-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide" . "2-(1-adamantyl)-N-[2-[2-(2-hydroxyethylamino)ethylamino]quinolin-5-yl]acetamide" . "N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-piperidine]-4-yl)benzamide" . "N,N-diethyl-4-(phenyl-piperidin-4-ylidenemethyl)benzamide" . "(3S)-3-[[(3S)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-(1H-benzimidazol-2-yl)propanoic acid" . "3-(5,6-dichloro-2-oxo-1,3-benzoxazol-3-yl)propanoic acid" . "(2S)-2-[(2S)-5-carbamimidamido-2-{[(2S)-1-[(2S)-5-carbamimidamido-2-[(2S)-3-(4-fluorophenyl)-2-[(2S)-3-(1H-indol-3-yl)-2-[2-(thiophen-2-yl)acetamido]propanamido]propanamido]pentanoyl]pyrrolidin-2-yl]formamido}pentanamido]butanediamide" . "2-[(2S)-5-carbamimidamido-2-({1-[(2S)-5-carbamimidamido-2-{2-[(2S)-2-(2-{2-[6-(dihexadecylamino)hexanamido]-2-methylpropanamido}-3-phenylpropanamido)-4-methylpentanamido]-3-phenylpropanamido}pentanoyl]pyrrolidin-2-yl}formamido)pentanamido]butanediamide" . "2-(5-bromo-2-fluorophenyl)-3-hydroxy-4H-chromen-4-one" . "2-[(3,4-difluorophenyl)amino]-N-[2-methyl-5-(piperazin-1-ylmethyl)phenyl]acetamide" . "4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate" . "N-(4-chloropyridin-3-yl)-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine-1-carboxamide" . "5-(4-chlorophenoxy)-3-(3,4-dihydroxyphenyl)-1,3,4-oxadiazol-2-one" . "N-[(4-fluoro-3-methoxyphenyl)methyl]-6-[2-[[(2S,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]methyl]tetrazol-5-yl]-2-methylpyrimidine-4-carboxamide" . "4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]chromen-2-one" . "3-[2-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propanoic acid" . "6-fluoro-3-[(E)-2-(1H-1,2,3,4-tetrazol-5-yl)ethenyl]-1H-indole" . "(2R)-2-amino-6-borono-2-(2-piperidin-1-ylethyl)hexanoic acid" . "[3-(nitrooxymethyl)phenyl] 2-acetyloxybenzoate" . "1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol" . "(4-carbamoyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methyl 2-hydroxybenzoate" . "N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide" . "2-amino-N,N-dipropyl-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3H-1-benzazepine-4-carboxamide" . "(E)-3-(2,3-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one" . "N,N-dimethyl-2-[4-[(4E)-4-(1-nitroso-2,3-dihydroinden-5-ylidene)-5-(1H-pyridin-4-ylidene)-1H-imidazol-2-yl]phenoxy]ethanamine" . "(5aR,7aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol" . "(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one" . "[dibromo-[[[(2R,3S,4R,5R)-5-(6-diethylaminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid" . "(2S)-3-(4-methoxyphenyl)-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide" . "4-amino-1-[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]piperidine-4-carboxylic acid" . "N-[2-[(3S)-3-[[4-hydroxy-4-(5-pyrimidin-2-ylpyridin-2-yl)cyclohexyl]amino]pyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzamide" . "(2S,3S,4R,5R)-N-[2-[4-(diethoxyphosphorylmethyl)anilino]-2-oxoethyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide" . "(2S)-1-[(2S)-2-[(4-amino-3-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide" . "N-[2-[[(3R)-1-[4-hydroxy-4-(6-methoxypyridin-3-yl)cyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide" . "ethyl (6R)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate" . "5-[[2,3-dichloro-4-[5-[1-[2-[[(2R)-2-(diaminomethylideneamino)-4-methylpentanoyl]amino]acetyl]piperidin-4-yl]-1-methylpyrazol-3-yl]phenoxy]methyl]furan-2-carboxylic acid" . "(3S)-3-amino-1-hydroxy-3,4-dihydroquinolin-2-one" . "N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine" . "4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperazine-1-carboxamide" . "5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-yl]benzamide" . "(2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanamide" . "2-[4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]acetic acid" . "4-[7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide" . "3-({4aH,4bH,8aH,9H,9aH-pyrido[2,3-b]indol-4-yl}amino)phenol" . "4-tert-butyl-N-[4-chloro-2-(1-oxidopyridin-1-ium-4-carbonyl)phenyl]benzenesulfonamide" . "[(1S,3R)-3-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone" . "2-[3-[5-[6-[3-[3-(carboxymethyl)phenyl]-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]hexyl]-2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid" . "N-[6-[4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide" . "4-[3-[4-(2-methylpyrazol-3-yl)phenyl]sulfanylphenyl]oxane-4-carboxamide" . "N-benzyl-2-[(4S)-4-(1H-indol-3-ylmethyl)-5-oxo-1-phenyl-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepin-6-yl]-N-propan-2-ylacetamide" . "N-[(3-chloro-4-fluorophenyl)methyl]-1-methyl-N-[[(1R,5S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide" . "N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide" . "4-[[4-[[4-[(3R)-oxolan-3-yl]oxy-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol" . "2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone" . "4,4-di(phenyl)-6-piperidin-1-ylheptan-3-one" . "(3S,3aR)-2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydrobenzo[g]indazole-7-carboxylic acid" . "2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[4-[(2R)-2-hydroxy-3-methoxypropyl]-3,5-dioxo-1,2,4-triazin-2-yl]benzamide" . "4-methyl-5-(4-methylsulfanylbenzoyl)-1,3-dihydroimidazol-2-one" . "3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea" . "1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one" . "1-[di(phenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine" . "ethyl-(3-hydroxyphenyl)-dimethylazanium" . "2-diethoxyphosphorylsulfanylethyl(trimethyl)azanium" . "[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-bis(2-chloroethyl)carbamate" . "6-[(Z)-2-(2,4-diaminophenyl)diazen-1-yl]-3-[(E)-2-{4-[(E)-2-(2,4-diaminophenyl)diazen-1-yl]-3-sulfophenyl}diazen-1-yl]-4-hydroxynaphthalene-2-sulfonic acid" . "3-(5-phenylpyridin-2-yl)oxy-N-pyridazin-3-ylazetidine-1-carboxamide" . "N-(4-fluoro-2-methylphenyl)-3-methyl-N-[(2-methyl-1H-indol-4-yl)methyl]pyridine-4-carboxamide" . "4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H,3aH,7aH-pyrazolo[4,3-b]pyridin-3-yl}-5-fluoro-2-hydroxybenzoic acid" . "4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H,3aH,7aH-pyrazolo[4,3-b]pyridin-3-yl}-3-fluorobenzoic acid" . "[(4R,4aR,7S,7aR,12bS)-9-acetyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl] acetate" . "3-(3-ethyl-1-methylazepan-3-yl)phenol" . "5-methyl-4-oxo-N-(1,3,4-thiadiazol-2-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide" . "2-[4-(1H-pyrazol-3-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-one" . "(4R,4aR,7S,7aR,12bS)-3-methyl-9-(2-morpholin-4-ylethoxy)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-o" . "(8S,9R,10S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-17-hydroxy-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-3,11-dione" . "ethyl (2R)-2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylate" . "(2S)-2-[[(2S)-2-[[hydroxy-[(1R)-1-(2-methylpropanoyloxymethoxycarbonylamino)ethyl]phosphoryl]methyl]-3-(4-phenylphenyl)propanoyl]amino]propanoic acid" . "(2S)-2-[[(2S)-2-[[[(1R)-1-aminoethyl]-hydroxyphosphoryl]methyl]-3-(4-phenylphenyl)propanoyl]amino]propanoic acid" . "(4-propan-2-yl-1,4-diazepan-1-yl)-[1-[6-(trifluoromethyl)pyridin-3-yl]piperidin-4-yl]methanone" . "N-[4-[[5-(3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl)-2-methoxyphenyl]methylsulfanyl]phenyl]acetamide" . "7-(6-fluoranylpyridin-3-yl)-5H-pyrido[4,3-b]indole" . "1-[2-(4-Phenylphenoxy)ethyl]pyrrolidine" . "(2S)-5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-2,3-dihydrochromen-4-one" . "4-(2,2,3-trimethylcyclopentyl)butanoic acid" . "N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide" . "4-[[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzoic acid" . "N-(4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl)ethanesulfonamide" . "3-{2-fluoro-4-[({3-[4-(3-methanesulfonylpropoxy)-2-methylphenyl]phenyl}methyl)amino]phenyl}propanoic acid" . "2-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide" . "4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-(2-phenylphenyl)benzene-1-sulfonamide" . "(2R)-2-[(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenyl-N-propan-2-ylacetamide" . "[(4-{2-[(2,6-dichlorophenyl)amino]-1,3-thiazol-4-yl}phenyl)(hydroxy)imino]-λ1-oxidanyl" . "2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine" . "2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5-methoxy-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine" . "(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one" . "2-chloro-5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol" . "3-dimethylamino-N-[3-[(4-hydroxybenzoyl)amino]-4-methylphenyl]benzamide" . "(R)-N-(3-(5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)-3-fluoropyrrolidine-1-sulfonamide" . "N-[[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]pyridin-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl]-2-(4-fluorophenyl)acetamide" . "N-(5-fluoro-1H-indazol-3-yl)-6-(2-methylpropane-2-sulfonyl)quinolin-4-amine" . "3-[[4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid" . "[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl]methanone" . "tert-butyl (2S)-2-[[4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzoyl]amino]-4-phenylbutanoate" . "tert-butyl (2R)-2-({4-amino-3-[(4-hydroxyphenyl)methoxy]phenyl}formamido)-4-phenylbutanoate" . "2-(4-methylpiperazin-1-yl)-1-[(7E)-3-phenyl-7-(phenylmethylidene)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethan-1-one" . "[4-(trifluoromethoxy)phenyl]methyl (3aS,6aS)-2-(3-fluoro-4-sulfamoylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate" . "6-[3-(1,3-benzothiazol-2-yl)propanoyl]-4-(4-fluorobenzyl)-5,6,7,8-tetrahydropyrido-[4,3-d] pyrimidine" . "(1R,3r)-3-(4-tert-butylpyridin-2-yl)-3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methylcyclobutan-1-ol" . "4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one" . "4-methyl-6-(2-{5-[3-(methylamino)propyl]pyridin-3-yl}ethyl)pyridin-2-amine" . "3-fluorophenoxymethyl]phenyl}-3-methylphenoxy)ethoxy]ethyl}amino)-2H-1,3-benzodiazol-4-yl](hydroxy)amino}oxidanyl" . "(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,7,9-trihydroxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-6-carboxamide" . "4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzonitrile" . "(2S)-2-(2-chlorophenyl)-2-methylaminocyclohexan-1-one" . "(2R)-2-(2-chlorophenyl)-2-methylaminocyclohexan-1-one" . "(2R,6R)-2-amino-2-(2-chlorophenyl)-6-hydroxycyclohexan-1-one" . "[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol" . "2-(3-bromo-4-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine" . "[hydroxy({2-methoxy-5-[3-(4-methylbenzenesulfonyl)-1,3-thiazolidin-2-yl]phenyl})imino]-λ1-oxidanyl" . "2-(4-bromo-2-methoxyphenyl)-3-(4-chlorobenzenesulfonyl)-1,3-thiazolidine" . "1-[(4-chlorophenyl)-phenylmethyl]piperazine" . "N8-[(2S)-3,3-dimethylbutan-2-yl]-N2-[2-methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine" . "[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone" . "1-[(3S)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]-3-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]urea" . "N-[3-[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide" . "4-[4-[(5-tert-butyl-2-quinolin-6-ylpyrazol-3-yl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide" . "1-N'-[4-[2-(cyclopropanecarbonylamino)pyridin-4-yl]oxy-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide" . "1-[4-bromo-5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluorophenyl]-3-phenylurea" . "2-[4-(furan-2-ylmethyl)-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine" . "(R)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol" . "4-cyclohexylbutyl N-[(3S)-2-oxoazetidin-3-yl]carbamate" . "(4aR)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-(2-methoxyethoxymethyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline" . "(4aR,8S,8aR)-2-(2-fluorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-1-oxo-1,2,3,4,4a,7,8,8a-octahydroisoquinoline-8-carboxamide" . "N,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine" . "tert-butyl N-[4-(4-amino-1-{2-[4-(dimethylamino)piperidin-1-yl]ethyl}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]carbamate" . "5-[(4-{[(2R)-morpholin-2-ylmethyl]amino}-5-(trifluoromethyl)pyridin-2-yl)amino]pyrazine-2-carbonitrile" . "3-[2-[cyclobutylmethyl(2-phenylethyl)amino]ethyl]phenol" . "3-[2-[cyclopropylmethyl(2-phenylethyl)amino]ethyl]phenol" . "4-[4-[[(2S)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenoxy]-3-fluorobenzamide" . "N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide" . "(4aR,7aS)-2-amino-7a-(2,4-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one" . "4-(4-carboxybutyl)-8-(2-oxo-2-{4-[(6-phenylhexyl)oxy]phenyl}ethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid" . "3-{[1-(2-chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-2H,3H-[1,3]oxazolo[4,5-b]pyridin-2-one" . "arsorosobenzene" . "3-[5-amino-4-(3-cyanobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide" . "N-{7-chloro-1-[(3R)-1-[(2E)-4-(dimethylamino)but-2-enoyl]azepan-3-yl]-1H-1,3-benzodiazol-2-yl}-2-methylpyridine-4-carboxamide" . "4-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide" . "2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide" . "N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)pyridin-4-yl]-1H-pyrrole-2-carboxamide" . "(2R,4S)-1-[(2R)-1-[(2R)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]-N-[2-[[(2R)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide" . "3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-1H-benzimidazol-2-one" . "10-[3-(4-hydroxypiperidin-1-yl)propyl]phenothiazine-2-carbonitrile" . "(2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide" . "2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-4-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-34-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-25-(3-amino-3-oxopropyl)-7-[3-(diaminomethylideneamino)propyl]-10,13-bis(1H-imidazol-5-ylmethyl)-19-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-28,31-di(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacont-22-yl]acetic acid" . "N-methyl-3-[(2-naphthalen-2-ylacetyl)amino]benzamide" . "2-[4-[3-(4-fluorophenoxy)-5-[[3-hydroxy-3-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]phenoxy]phenyl]-2-methylpropanoic acid" . "3-(3-chloro-4-methylphenyl)-1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]urea" . "1-[(5R)-5-hydroxyhexyl]-3,7-dimethylpurine-2,6-dione" . "N-[(1-benzyl-5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]propanamide" . "8-(3,5-dichlorophenyl)sulfanyl-9-[3-(propan-2-ylamino)propyl]purin-6-amine" . "N-[[(5S)-3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide" . "N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyridine-2-carboxamide" . "1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one" . "(4R)-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(pyrimidin-5-yl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide" . "N-[(2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]oxypropanamide" . "3-(4-bromo-2-chlorophenyl)-1-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]urea" . "1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-ethylaminopiperidine-4-carboxamide" . "5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-ylpyrazole-3-carboxamide" . "(4S)-3-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-4-phenyl-4,5-dihydropyrazole-1-carboximidamide" . "2,2-dimethyl-7-(3-methyloctan-2-yl)-4-pyridin-4-ylchromen-5-ol" . "6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine" . "3-Ethyl-5-isothiocyanato-N-[4-(piperidin-1-yl)phenethyl]-1H-indole-2-carboxamide" . "6-methyl-3-(2-nitro-1-(thiophen-2-yl)ethyl)-2-phenyl-1H-indole" . "N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide" . "N-[5-[1-[4-(4-acetylpiperazin-1-yl)cyclohexyl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]-2-phenoxyphenyl]prop-2-enamide" . "(2R)-4-(1-adamantyl)-N-[2-[4-[4-amino-3-[4-phenoxy-3-(prop-2-enoylamino)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethyl]-2-methylbutanamide" . "N,N'-dimethyl-N'-[[5-[4-[3-[2-(oxan-4-yl)ethoxy]cyclobutyl]oxyphenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine" . "(8S,10S,13S,14S,16R,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one" . "6-ethyl-3-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxypyrazine-2-carboxamide" . "(1S,3S,4R)-4-[(3aS,4R,5S,7aS)-4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-3-(hydroxymethyl)-4-methylcyclohexan-1-ol" . "N-[5-[9-[4-(methanesulfonamido)phenyl]-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide" . "5-({3-[4-(morpholin-4-yl)benzamido]phenyl}methoxy)pyridine-3-carboxamide" . "4-tert-butyl-N-[7-chloro-2-(2-methyl-1-oxidopyridin-1-ium-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide" . "methyl (2S)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoate" . "6-amino-2-[(2S)-pentan-2-yloxy]-9-[5-(piperidin-1-yl)pentyl]-8,9-dihydro-7H-purin-8-one" . "2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine" . "(E)-3-(2-chlorophenyl)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one" . "methyl 2-(3-(((3-(6-amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)propyl)(3-morpholinopropyl)amino)methyl)phenyl)acetate" . "butyl 2-[(6aR,9R,10aR)-1-hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromen-3-yl]-2-methylpropanoate" . "6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]purin-2-amine" . "(2S)-2-amino-N-{[4-(3,5-dimethylphenoxy)-3-methylphenyl]methyl}propanamide" . "2-fluoro-6-[[(3S)-oxolan-3-yl]amino]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide" . "(Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide" . "N-[3-[6-[4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide" . "(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide" . "6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one" . "4-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide" . "(6aS,12bR)-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine-10,11-diol" . "N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine" . "1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]piperidin-4-ol" . "(4R,7S,10S,13R,16S,19R,22R)-22-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-13-benzyl-10-[3-(diaminomethylideneamino)propyl]-16-(1H-imidazol-5-ylmethyl)-7-(1H-indol-3-ylmethyl)-19-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carboxamide" . "N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]amino]-2-methyl-5-(3-morpholin-4-ylprop-1-ynyl)benzamide" . "N3,N3,N7,N7-tetramethyl-10H-phenothiazine-3,7-bis(aminium)" . "5-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine" . "2-[5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)indol-1-yl]acetic acid" . "[2-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]pyridin-3-yl]-(2-chlorophenyl)methanone" . "N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2,2-di(phenyl)acetamide" . "(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide" . "3-[(3aR,4R,5S,7aS)-5-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]cyclopent-2-en-1-one" . "3,4-dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methylbenzamide" . "5-(difluoromethyl)-N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-[[(2R)-1-prop-2-enoylpyrrolidin-2-yl]methyl]benzimidazol-2-yl]thiophene-2-carboxamide" . "1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2S)-1-(thiophen-3-yl)propan-2-yl]urea" . "[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate" . "N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-5-chloro-2-fluorobenzenesulfonamide" . "1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methyl]azetidine-3-carboxylic acid" . "(2S)-2-[(5R,6R,7R,14S)-N-cyclopropylmethyl-4,5-epoxy-6,14-ethano-3-hydroxy-6-methoxymorphinan-7-yl]-3,3-dimethylpentan-2-ol" . "5-(3-methylphenoxy)-1H-pyrimidin-2-one" . "N-[(2R)-4-methyl-1-oxo-1-[[(E,3R)-5-phenyl-1-phenylsulfonylpent-1-en-3-yl]amino]pentan-2-yl]morpholine-4-carboxamide" . "(S)-2-(3'-(hydroxymethyl)-1-methyl-5-((5-(2-methyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydro-[3,4'-bipyridin]-2'-yl)-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one" . "2-(4-ethoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide" . "N-[(1-{4-[({3-[(6,7-dimethoxyquinolin-3-yl)oxy]phenyl}carbamoyl)amino]-2-(trifluoromethyl)phenyl}piperidin-4-yl)methyl]propanamide" . "(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)-N-(5-fluoropyridin-2-yl)cyclopropane-1-carboxamide" . "(2S)-N-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide" . "(2S)-1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide" . "N-[2-[3-[[5-[3-(dimethylcarbamoyl)phenyl]-2-methoxyphenyl]sulfonylamino]anilino]ethyl]-3-methylbenzamide" . "5-(5-chloropyridin-3-yl)-N-[(5,6-dimethoxypyridin-2-yl)methyl]-2-pyridin-2-ylpyridine-3-carboxamide" . "N-[(5,6-dimethoxypyridin-2-yl)methyl]-2-(5-methylpyridin-3-yl)-5-(1,3-thiazol-2-yl)pyridine-4-carboxamide" . "[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone" . "2-cyclohexyl-N-(3,4-dichlorophenyl)-3H-imidazo[5,4-c]quinolin-4-amine" . "N-[2-(3,4-dichloroanilino)quinolin-4-yl]cyclohexanecarboxamide" . "2-chloro-4-[2-[1-(4-fluorophenyl)-2,5-dimethylimidazol-4-yl]ethynyl]pyridine" . "anthra[2,1-d]thiazol-2-ylamine" . "tert-butyl 4-({[(2-methoxyphenyl)carbamoyl]oxy}methyl)piperidine-1-carboxylate" . "N-{7-[1-(4-chloro-2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N'-methoxy-formamidine" . "N-{7-[1-(4-tert-butyl-phenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N'-methoxy-formamidine" . "N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-9-methylpurin-6-amine" . "{3-[(3-fluoro-4-hydroxybenzoyloxy)methyl]phenyl}methyl 3-fluoro-4-hydroxybenzoate" . "4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-benzothiazin-3-one" . "2-amino-2-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol" . "(5Z)-5-[[3-chloro-4-[(2R)-2,3-dihydroxypropoxy]phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one" . "[4-[(2S)-3-amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl]methyl 2,4-dimethylbenzoate" . "4,5,6,7-TETRABROMO-N,N-DIMETHYL-1H-BENZIMIDAZOL-2-AMINE" . "3-{5-[(1R,2S)-2-(2,2-difluoropropanamido)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propoxy]-1H-indazol-1-yl}-N-[(3R)-oxolan-3-yl]benzamide" . "5-[(1R)-2-[6-(2,2-difluoro-2-phenylethoxy)hexylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one" . "2-[3-(4-cyanonaphthalen-1-yl)pyridin-4-yl]sulfanyl-2-methylpropanoic acid" . "(3S)-5-methyl-3-[[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carbonyl]amino]hexanoic acid" . "(2S)-5-(diaminomethylideneamino)-2-[[2-[(1S)-1-(1H-indole-3-carbonylamino)-3-methylbutyl]-1,3-oxazole-4-carbonyl]amino]pentanoic acid" . "N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-yl]benzamide" . "(9R)-7-[[3,5-bis(trifluoromethyl)phenyl]methyl]-9-methyl-5-(4-methylphenyl)-8,9,10,11-tetrahydro-[1,4]diazocino[2,1-g][1,7]naphthyridine-6,13-dione" . "4-[(2R)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine" . "2-[(3R)-7-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid" . "N-[2-[(2E)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide" . "N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide" . "(2S,4R)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-hydroxypyrrolidine-2-carboxamide" . "[(1R)-1-[(3S,6S,9S,12S,18R,21S,22R)-21-acetamido-3-[(1R)-1-methoxyethyl]-4,9,10,12,16,22-hexamethyl-15-methylidene-2,5,8,11,14,17,20-heptaoxo-18-(phenylmethyl)-1,19-dioxa-4,7,10,13,16-pentazacyclodocos-6-yl]-2-methylpropyl] (2S,3R)-2-acetamido-3-hydroxy-4-methylpentanoate" . "4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-tert-butylbenzamide" . "[(1R)-1-[(3S,6S,9S,12S,18R,21S,22R)-21-acetamido-18-benzyl-3-[(1R)-1-methoxyethyl]-4,9,10,12,16-pentamethyl-15-methylidene-2,5,8,11,14,17,20-heptaoxo-22-propan-2-yl-1,19-dioxa-4,7,10,13,16-pentazacyclodocos-6-yl]-2-methylpropyl] (2S,3R)-3-hydroxy-4-methyl-2-(propanoylamino)pentanoate" . "1-N-[(2S,3R)-3-hydroxy-4-[[(2S,3S)-3-hydroxy-1-(2-methylpropylamino)-1-oxohexan-2-yl]amino]-1-phenylbutan-2-yl]-3-N-methyl-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide" . "4-{4-[1-(2,4-dichlorophenyl)-4-methyl-3-[(piperidin-1-yl)carbamoyl]-1H-pyrazol-5-yl]phenyl}but-3-yn-1-yl nitrate" . "(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide" . "(2S)-2-amino-3-[4-[(5-amino-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-dichlorophenyl]propanoic acid" . "(1R)-1-methyl-9-[(3-methylazetidin-3-yl)amino]-8-(trifluoromethyl)-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one" . "N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-[[4-[[(2,2-difluoroacetyl)amino]methyl]phenyl]methyl]-2,4-dihydroxybenzamide" . "(3E)-5-chloro-3-[[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one" . "7-Methoxy-1-methyl-9H-pyrido[3,4-b]indole" . "(8S)-9-[(5-chloropyridin-3-yl)methyl]-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one" . "2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino]pyridine-4-carbonitrile" . "N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide" . "9-hydroxy-3,4-dihydro-2H-[1]benzothiolo[2,3-f][1,4]thiazepin-5-one" . "3-amino-4-(1,1-difluoropropyl)-6-(4-methylsulfonylpiperidin-1-yl)thieno[5,4-b]pyridine-2-carboxamide" . "2-(6,7-dimethoxyquinazolin-4-yl)-5-pyridin-2-yl-1,2,4-triazol-3-amine" . "[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[5,6-e]pyrimidin-7-yl]-2-methoxyphenyl]methanol" . "methyl 4-[6-[4-(methoxycarbonylamino)phenyl]-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate" . "4-[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]phenyl]sulfonyl-N,N-dimethylbenzamide" . "(2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol" . "N'-[3-[(1S)-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide" . "4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-6-chloro-3-(1,3-dihydrobenzimidazol-2-ylidene)quinolin-2-one" . "2-methoxy-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide" . "N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide" . "(3S,4R)-2-oxo-4-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]pyrrolidine-3-carboxamide" . "2-[2-(cyclohexylamino)pyridin-4-yl]-6-piperazin-1-ylpyridine-4-carboxamide" . "4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine" . "4,5,6,7-tetrabromo-2H-benzotriazole" . "5-(3-ethynylanilino)pyrimido[4,5-c]quinoline-8-carboxylate" . "3-(cyclopropylamino)-5-[3-(trifluoromethyl)anilino]pyrimido[4,5-c]quinoline-8-carboxylate" . "4-[2-(2-chloro-4-fluoroanilino)-5-methylpyrimidin-4-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide" . "2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one" . "4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine" . "1-[[5-[2-[(2-chloropyridin-4-yl)amino]pyrimidin-4-yl]-4-(cyclopropylmethyl)pyrimidin-2-yl]amino]-2-methylpropan-2-ol" . "4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine" . "(3Z)-3-[[3-[(dimethylamino)methyl]anilino]-phenylmethylidene]-N,N-dimethyl-2-oxo-1H-indole-6-carboxamide" . "N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide" . "2-[[5-chloro-2-[(2-methoxy-4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]amino]-N-methylbenzamide" . "3-(quinolin-4-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide" . "N-[3-(4-methylpiperazin-1-yl)phenyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine" . "2-{[(3S,4S)-3-aminooxan-4-yl]amino}-4-[(4-methylphenyl)amino]pyrimidine-5-carboxamide" . "(R)-imino(methyl)(1-{6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl}cyclopropyl)-λ6-sulfanone" . "2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile" . "(2S,3R,4R,5S,6R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol" . "(1-methyl-5-nitro-3-phenylindol-2-yl)methanol" . "(3S,3'R,4'S,5'S,6'R)-5-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol" . "2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one" . "1-(3-chlorophenyl)-3-[5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea" . "8-[[5-chloro-2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide" . "6-N-cyclohexyl-2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine" . "9-cyclopentyl-2-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyanilino]-7-methylpurin-8-one" . "N-(2,6-diethylphenyl)-1-methyl-8-[4-[(1-methylpiperidin-4-yl)carbamoyl]-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide" . "2-[[5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl]amino]-9-(trifluoromethyl)-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione" . "4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide" . "1-tert-butyl-3-(4-chlorophenyl)pyrazolo[4,5-e]pyrimidin-4-amine" . "5-N-(6-aminohexyl)-7-N-benzyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine" . "11-cyclopentyl-2-[2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5-methylpyrimido[4,5-b][1,4]benzodiazepin-6-one" . "N'-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-ethyl-4-hydroxy-3-methylbenzohydrazide" . "[(E)-4-[[4-(3-bromo-4-chloroanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]-4-oxobut-2-enyl]-dimethyl-[(3-methyl-5-nitroimidazol-4-yl)methyl]azanium" . "(2E)-N-{4-[(3-bromo-4-chlorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-4-(dimethylamino)but-2-enamide" . "(2S)-N-[(1S)-1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]-1,4-oxazepane-2-carboxamide" . "1-acryloyl-3,5-bis((Z)-4-fluoro-3-nitrobenzylidene)azepan-4-one" . "(Z)-4,4-dimethyl-1-(3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one" . "(2S)-2-(3-fluoro-4-phenylphenyl)propanoic acid" . "(4E)-2-(4-bromo-3-methylphenyl)-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one" . "1-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one" . "2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazole" . "2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide" . "(2R)-2-(4-fluorophenyl)-N-[4-[2-(2-methoxy-4-methylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide" . "6-(6,7-dimethoxyquinazolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide" . "3-[3-[4-(1-aminocyclobutyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine" . "(3S)-1-[(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl]-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one" . "(2R)-3-acetyl-1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one" . "2-[6-(2-Ethyl-5- fl uoro-4-hydroxyphenyl)-1 H -indazol-3-yl]- 1,4,6,7-tetrahydroimidazo[4,5- c ]pyridin-5-yl-(5-piperidin-1-yl- pyrazin-2-yl)methanone" . "N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]thiophene-2-sulfonamide" . "(5-Bromo-1-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl){6-[(dimethylamino)methyl]-(+)-4-methyl-3,4-dihydroisoquinolin-2(1H)-yl}methanone" . "3-(benzenesulfonyl)-8-piperazin-1-ylquinoline" . "(2-amino-4,5-dimethylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanone" . "(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide" . "[4-[(1R)-1-(4-piperidin-1-ylbutanoylamino)ethyl]phenyl] trifluoromethanesulfonate" . "2,2-dimethyl-7-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-[(1R)-1-phenylethyl]-3H-quinazolin-4-one" . "N-[3-(4-methylpiperazine-1-carbonyl)-2-propan-2-yloxyphenyl]-4-oxo-1H-thieno[3,2-d]pyrimidine-7-carboxamide" . "3-methylbut-2-enyl 4-methoxy-8-(3-methylbut-2-enoxy)quinoline-2-carboxylate" . "(3S,4R)-N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide" . "[3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate" . "[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]pyridin-3-yl]methanol" . "propan-2-yl (5S,8E,10E,12R)-5,12-dihydroxypentadeca-8,10-dien-6,14-diynoate" . "1-amino-4-(4-methoxyanilino)-9,10-dioxoanthracene-2-sulfonic acid" . "3-[[4-[(1S)-1-[4-(4-tert-butylphenyl)-3,5-dimethylphenoxy]-4,4,4-trifluorobutyl]benzoyl]amino]propanoic acid" . "3-[3-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]-4,5-difluorophenyl]propanoic acid" . "4-[2-[(1R)-1-[(2R)-3-[[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]phenyl]-2-methylbenzoic acid" . "1-(phenylmethyl)-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one" . "3-[4-cyano-3-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]phenyl]propanoic acid" . "N-cycloheptyl-6,7-dimethoxy-2-(4-piperidin-1-ylpiperidin-1-yl)quinazolin-4-amine" . "[3-(4-carbamoylphenyl)phenyl] N-methyl-N-[(3-phenylphenyl)methyl]carbamate" . "1,1,1,3,3,3-hexafluoropropan-2-yl 4-[bis(1,3-benzodioxol-5-yl)-hydroxymethyl]piperidine-1-carboxylate" . "[(3S,6R)-3,5,6-trihydroxyoxan-2-yl]methyl 2-tridecylheptadecanoate" . "N-[(3-aminophenyl)methyl]-6-[4-[(3-fluorophenyl)methoxy]phenoxy]pyridine-3-carboxamide" . "H-His-Leu-OH" . "1-methyl-5,6-dihydro-2H-pyridine-3-carboxylic acid" . "(4S)-4-amino-1,2-oxazolidin-3-one" . "(4R)-4-amino-1,2-oxazolidin-3-one" . "ethyl (2S)-2-amino-3-[4-[2-amino-6-[(1R)-1-[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]phenyl]propanoate" . "[(2S)-2-amino-2-[2-[2-chloro-4-[2-hydroxy-5-(trifluoromethyl)phenyl]sulfanylphenyl]ethyl]pentyl] dihydrogen phosphate" . "N,N-dicyclohexyl-5-cyclopropyl-1,2-oxazole-3-carboxamide" . "4-({[7-(naphthalen-2-yl)-1-benzothiophen-2-yl]methyl}amino)butanoic acid" . "1-({4-[(3,4-dichlorophenyl)methoxy]phenyl}methyl)azetidine-3-carboxylic acid" . "1-[4-[4-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid" . "2-[4-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]phenyl]acetic acid" . "(2S)-6-[[2-(7-amino-4-methyl-2-oxochromen-3-yl)acetyl]amino]-2-(3-aminopropanoylamino)hexanoic acid" . "[(1R)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]phosphonic acid" . "2-[(2-aminoacetyl)-methylamino]acetic acid" . "2-[[4-(phenoxy)phenyl]sulfonylmethyl]thiirane" . "N-(2-{[4-(1,1-difluoroethyl)-1,3-oxazol-2-yl]methyl}-2H-1,2,3-triazol-4-yl)-2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide" . "3-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethylamino]phenyl]benzoic acid" . "2-amino-N-cyclopentyl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide" . "4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide" . "N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-1-yl)-1H,2H,3H,4H-benzo[h]1,6-naphthyridin-1-yl]phenyl}prop-2-enamide" . "1-methylpyrrolidin-2-one" . "4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile" . "8-(((3R,4R,5S)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one" . "3-{6-acetylpyrrolo[1,2-a]pyrimidin-8-yl}-N-cyclopropyl-4-methylbenzamide" . "4-bromo-N-(6-methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-2-methylbenzene-1-sulfonamide" . "6-(3-hydroxypropyl)-2-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione" . "(3R,4S)-1-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N-dimethyl-4-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrrolidin-3-amine" . "(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(R)-hydroxy(phenyl)methyl]oxolane-3,4-diol" . "N-methyl-N-[[2-[1-[2-(methylamino)ethyl]piperidin-4-yl]pyridin-4-yl]methyl]-3-phenoxybenzamide" . "N-methyl-2-(4-phenylmethoxypiperidin-1-yl)ethanamine" . "4-[3-(8-cyclohexyl-2,6-dioxo-1-propyl-7H-purin-3-yl)propylcarbamoyl]benzenesulfonyl fluoride" . "5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate" . "2-[[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]propane-1,3-diol" . "5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylbenzenesulfonamide" . "5-(3-bromophenyl)-1,3-dihydro-[1]benzofuro[3,2-e][1,4]diazepin-2-one" . "10-(4-methylphenyl)sulfonylphenoxazine" . "1-(2,6-dibromo-4-propan-2-ylphenyl)-3-pyridin-3-ylurea" . "1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-2,3-dihydroindol-1-yl]-2-(6-methylpyridin-2-yl)ethanone" . "5-methoxy-3-[[3-[[3-[[3-[[5-[(8-methoxy-3,6-disulfonaphthalen-2-yl)carbamoyl]-2-methylphenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]-4-methylbenzoyl]amino]naphthalene-2,7-disulfonic acid" . "2,2-dimethyl-3-[3-[3-methyl-4-[[3-propan-2-yl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2H-pyrazol-4-yl]methyl]phenoxy]propylamino]propanamide" . "4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]benzonitrile" . "5-[[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile" . "N-[(4-chlorophenyl)methylideneamino]benzamide" . "4-nitrooxybutyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate" . "N-[2-[5-[5-(2,6-dimethylpiperidin-4-yl)sulfonyl-2-ethoxyphenyl]-1-methyl-3-propylpyrazolo[4,3-d]pyrimidin-7-yl]oxy-1,3-thiazol-5-yl]-N-methylnitrous amide" . "2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide" . "5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide" . "2-[5-[cyclopropylmethyl(1,2-dihydroacenaphthylen-5-yl)amino]-3-methoxypyridine-2-carbonyl]cyclopropane-1-carboxylic acid" . "5-[5-[4-chloro-N-(cyclopropylmethyl)anilino]pyridine-2-carbonyl]-2-(4-methoxybenzoyl)benzoic acid" . "3-[[4-[(R)-(3,3-dimethylcyclobutyl)-[[6-[4-(trifluoromethyl)imidazol-1-yl]pyridin-3-yl]amino]methyl]benzoyl]amino]propanoic acid" . "N-methyl-N-{1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl}-4-nitro-2-(trifluoromethyl)benzamide" . "1-[(2S,5R)-2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]prop-2-en-1-one" . "2-(6-bromanyl-1,3-benzodioxol-5-yl)-~{N}-(4-cyanophenyl)-1-[(1~{S})-1-cyclohexylethyl]benzimidazole-5-carboxamide" . "2-[[2-ethyl-6-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile" . "1-(pyridin-4-yl)-3-(quinolin-2-yl)prop-2-en-1-one" . "2-amino-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethynyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide" . "(3R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine" . "3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione" . "(3R)-N,N-dimethyl-1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-amine" . "3-[(4aS,12aR)-2-methyl-1,3,4,5,12,12a-hexahydropyrido[3,4-b]acridin-4a-yl]phenol" . "5-(5-(3-(Trifluoromethyl)-4-(((2S)-1,1,1-trifluoropropan-2-yl)oxy)phenyl)-1,2,4-oxadiazol-3-yl)-1H-benzimidazole" . "5-[4-amino-1-(2,2-diethoxyethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine" . "(2S)-1-[N-[[(4S)-2-[(2S)-1-(N-Pivaloyl-L-Ala-N-methyl-3-bromo-D-Tyr-)-4alpha-methylpyrrolidine-2alpha-yl]-2-thiazoline-4beta-yl]carbonyl]-D-Leu-N-methyl-L-Phe-]-2alpha-propanoylpyrrolidine" . "4-[[(4-cyclohexylphenyl)-[(3-methylsulfonylphenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide" . "N-[3-[[4-(3-cyano-4-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide" . "N-{3,4-dimethoxy-5-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}-1-(4-methoxyphenyl)-1H,3aH,7aH-pyrazolo[3,4-d]pyrimidin-6-amine" . "3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine" . "4-(4-phenylbutoxy)furo[3,2-g]chromen-7-one" . "N-[3-(dimethylamino)propyl]-4-(8-hydroxyquinolin-6-yl)benzamide" . "(S)-(4-fluoro-2-propylphenyl)(1H-imidazol-2-yl)methanol" . "2,3-dihydro-1'H-[2,3'-biindole]-1-carbaldehyde" . "(2R)-2-[[(4S)-4-carboxy-4-[[4-[[(6S)-2-(hydroxymethyl)-4-oxo-1,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl]-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid" . "[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-(3-methylsulfonylpropyl)piperazin-1-yl]methanone" . "6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one" . "1-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxymethyl]cyclopropan-1-amine" . "N-(5-chloropyridin-2-yl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methoxybenzamide" . "N-cyclohexyl-N-methyl-4-pyridin-3-ylimidazole-1-carboxamide" . "(dichloro-phosphonomethyl)phosphonic acid" . "N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]pyridin-3-yl]methylamino]ethyl]acetamide" . "(2R,4R)-1-[[5-chloro-2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid" . "ethyl 3-[8-({4-methyl-5-[(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)octanamido]benzoate" . "N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-yl]acetamide" . "10-(3-aminopropyl)-3,4-dimethylacridin-9-one" . "(6aR,10aR)-3-(8-bromo-2-methyloctan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol" . "(6aR,9R,10aR)-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyloctan-2-yl)-6,6-dimethyl-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromen-1-ol" . "N-(5-{3-[7-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl}pyridin-3-yl)-3-methylbutanamide" . "[2,2-dimethylpropanoyloxymethoxy-[(E)-5-hydroxy-4-methylpent-3-enyl]phosphoryl]oxymethyl 2,2-dimethylpropanoate" . "2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline" . "(3S)-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione" . "2-methylpropanedioic acid" . "(2S)-2-chlorobutanedioic acid" . "(E)-N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-3-[2-propyl-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide" . "N-{6-[3-(morpholin-4-yl)propyl]-2-{thieno[3,2-c]pyridin-6-yl}-4H-chromen-4-ylidene}hydroxylamine" . "3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]oxy-N-(2,6-dimethylphenyl)propanamide" . "ethyl 2-[5-[4-(3-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]acetate" . "2-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]spiro[7,8-dihydropyrazino[5,6]pyrrolo[1,2-d]pyrimidine-9,1'-cyclohexane]-6-one" . "(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(2,2-dioxo-1,3,4,6-tetrahydrothieno[3,4-c]pyrrol-5-yl)oxan-3-amine" . "3-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-2,4-dimethylbenzoic acid" . "(2Z)-But-2-enedioic acid" . "(2R,3S)-oxirane-2,3-dicarboxylic acid" . "(1S,2R)-cyclopropane-1,2-dicarboxylic acid" . "4-nitrooxybutyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate" . "(2S)-2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide" . "(1R,3S)-3-(1-adamantyl)-1-(aminomethyl)isochroman-5,6-diol" . "5,6-dichloro-2H-triazolo[4,5-e]pyrazine" . "2,3,7,8-tetrachlorodibenzo-p-dioxin" . "N-benzyl-N-hydroxy-2,2-dimethylbutanamide" . "2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine" . "5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide" . "2-Amino-4-(4-hydroxymethyl)phenyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile" . "2-(3-piperidin-4-yloxy-1-benzothiophen-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole" . "(8R,9R,10S)-10-(hydroxymethyl)-N-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide" . "[(2R,4aS,10aR)-4a-benzyl-7-[(2-methylpyridin-3-yl)carbamoyl]-2-(trifluoromethyl)-1,3,4,9,10,10a-hexahydrophenanthren-2-yl] dihydrogen phosphate" . "(4bS,7R,8aR)-4b-benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide" . "5-amino-N-[(2S)-2-[[(2,6-dichlorobenzoyl)-ethylamino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide" . "3-N-(1-propylbenzimidazol-2-yl)benzene-1,3-dicarboxamide" . "2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetic acid" . "3-[[(2R)-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine" . "1-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]piperazin-1-yl]ethanone" . "N-(4-ethylphenyl)-3-(hydroxymethyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide" . "(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enamide" . "2-[(1-cyanophenanthren-3-yl)methyl]phenanthrene-1-carbonitrile" . "7-(dipyridin-2-ylamino)-N-hydroxyheptanamide" . "tert-butyl N-[4-[3-[[7-(hydroxyamino)-7-oxoheptyl]carbamoyl]-1,2-oxazol-5-yl]phenyl]carbamate" . "1-{[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide" . "2-(7-methoxy-4-methylquinazolin-2-yl)guanidine" . "6-{[2-chloro-4-nitro-5-(oxan-4-yloxy)phenyl]amino}-3,4-dihydro-1H-quinolin-2-one" . "3-{5-[(3Z)-5-chloro-2-oxo-2,3,3a,7a-tetrahydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid" . "N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]benzenesulfonamide" . "N-(2-hydroxyethyl)-5-(hydroxymethyl)-3-methyl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]pyrazole-4-carboxamide" . "(3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one" . "(1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine" . "(4S)-5-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoic acid" . "2,3-dichloro-N-(3-methoxypyrazin-2-yl)benzenesulfonamide" . "2,3-dichloro-N-(5-fluoro-3-methoxypyrazin-2-yl)benzenesulfonamide" . "4-[[[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylcarbamoylamino]methyl]benzamide" . "N-cyclohexyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine" . "2-[[[1-amino-3-(4-nitrophenyl)propyl]-hydroxyphosphoryl]methyl]-3-phenylpropanoic acid" . "[1-amino-2-[2-(4-methoxyphenyl)ethylamino]ethyl]phosphonic acid" . "9-(4-chlorobenzoyl)-6-methanesulfonyl-2,3,4,9-tetrahydro-1H-carbazol-4-one" . "5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol" . "(2R)-N-[(1S)-2,2-Dimethyl-1-[(methylamino)carbonyl]propyl]-2-[(1S)-1-(N-hydroxyformamido)ethyl]-5-phenylpentanamide" . "4-[7-ethoxy-6-(2-methylpropane-2-sulfonyl)imidazo[1,2-a]pyridin-3-yl]-6-fluoropyridin-2-amine" . "(3S)-3-(6-methoxypyridin-3-yl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid" . "N-cyclopentyl-1-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide" . "methyl 4-amino-1-(2-aminoethyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate" . "methyl (3Z)-3-[[[1-(2-morpholin-4-ylacetyl)-2,3-dihydroindol-5-yl]amino]-phenylmethylidene]-2-oxo-1H-indole-6-carboxylate" . "1-(4-fluoro-3-methylphenyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-2-one" . "(3S)-1-(5-bromopyrimidin-2-yl)-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine" . "trans-2-[4-(4-Chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthalenedione" . "N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide" . "2-[[5-chloro-2-[[(6S)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]amino]pyrimidin-4-yl]amino]-N-methylbenzamide" . "2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethanol" . "N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide" . "N-{2-[(5-chloro-2-{[1-(2-methoxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide" . "(2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid" . "N-hydroxy-4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide" . "3,4-dimethoxy-N-[2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide" . "[1-(5-fluoropentyl)indol-3-yl]-naphthalen-1-ylmethanone" . "(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide" . "(5Z)-2-anilino-5-[[2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methylidene]-1,3-thiazol-4-one" . "2-[[4-[carboxymethyl-(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]-(4-methoxyphenyl)sulfonylamino]acetic acid" . "(7R,8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one" . "N4-(propan-2-yl)-N2-[3-(pyridin-3-yl)phenyl]pyrimidine-2,4-diamine" . "(3S)-N-[(3S,5S,6R)-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxamide" . "4-(2-cyano-1H-pyrrol-1-yl)-S-(1H-indol-4-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutane-2-sulfonamido" . "(R)-2-(4-((5-(Ethylsulfonyl)-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-5-fluorobenzamide" . "2-[4-(3-{1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl}-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-N,N-dimethylacetamide" . "1-(2-ethoxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]pyridine-3-carboxamide" . "N-[4-(1-cyclobutyl-piperidin-4-yloxy)phenyl]-2-(morpholin-4-yl)acetamide" . "(1R,3S)-N-(4-cyano-2-(trifluoromethyl)benzyl)-3-((4-methyl-6-(methylamino)-1,3,5-triazin-2-yl)amino)cyclohexane-1-carboxamide" . "(2S)-2-{[(3R)-3-[(4-cyanophenyl)methyl]-1-(3,5-dichloro-4-fluorophenyl)-3-methyl-2-oxo-1H,2H,3H-[1,3]diazolo[1,2-a]imidazol-5-yl]formamido}-N-[1-(pyridin-2-yl)cyclopropyl]propanamide" . "(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-1,5-dimethylimidazolidine-2,4-dione" . "(3R,3'S)-5,7'-dichloro-6'-fluoro-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one" . "[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxy-acetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] benzoate" . "N-[2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine" . "(3S,4S)-N-(3-cyano-4-fluorophenyl)-1-oxo-3-pyridin-3-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinoline-4-carboxamide" . "2-[(1R,3r,5S)-3-({5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl}methoxy)-8-azabicyclo[3.2.1]octan-8-yl]-4-fluoro-1,3-benzothiazole-6-carboxylic acid" . "5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-amine" . "2-Amino-2-(2-(2-chloro-4-(3-benzyloxyphenylthio)phenyl)ethyl)-1,3-propanediol" . "6-(3-fluorophenyl)-3-methyl-7-[(1S)-1-(7H-purin-6-ylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one" . "1-[6-(4-methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-6-phenylhexan-1-one" . "3,4-dibromo-5-[[2-bromo-3,4-dihydroxy-6-(propan-2-yloxymethyl)phenyl]methyl]benzene-1,2-diol" . "N-[7-methanesulfonamido-4-oxo-6-(phenoxy)chromen-3-yl]formamide" . "6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide" . "5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one" . "3-(formyl-hydroxyamino)propylphosphonic acid" . "3-[2-[3-(2,4-diamino-6-ethylpyrimidin-5-yl)oxypropoxy]phenyl]propanoic acid" . "methyl 5-[(tert-butylcarbamothioylhydrazinylidene)methyl]-1-(2,4-difluorophenyl)pyrazole-4-carboxylate" . "6-bromo-8-[(2,6-difluoro-4-methoxybenzoyl)amino]-4-oxochromene-2-carboxylic acid" . "2-[[2-chloro-5-cyano-3-(oxaloamino)phenyl]amino]-2-oxoacetic acid" . "2-amino-N-[(2R)-1-[[(1R)-1-formamido-2-(1H-indol-3-yl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide" . "N,N-bis(1,3-benzodioxol-5-ylmethyl)-1-[3-butyl-2,5-di(phenyl)imidazol-4-yl]methanamine" . "2-(1-(1-((1s,4s)-4-isopropylcyclohexyl)piperidin-4-yl)-2-oxoindolin-3-yl)-N-methylacetamide" . "3,3,6,6-tetramethyl-9-[4-[(2-methylphenyl)methoxy]phenyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione" . "2-[4-(benzyloxy)phenyl]-2,5-dihydroxy-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one" . "5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-one" . "5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione" . "1-[4-[[[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]prop-2-en-1-one" . "4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]benzenesulfonamide" . "(2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine" . "methyl (5Z,8Z,10S,14Z)-11,12-dicyclopropyl-10-hydroxyicosa-5,8,14-trienoate" . "(E)-2-[(2S)-2-[[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]pyrrolidine-1-carbonyl]-4-methyl-4-[methyl(oxetan-3-yl)amino]pent-2-enenitrile" . "2-[[2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide" . "10-[(1-methylpiperidin-3-yl)methyl]phenothiazine" . "5-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-sulfonamide" . "6-(6-aminopyrazin-2-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine" . "N-[(3R,4R)-4-fluoro-1-[6-[(3-methoxy-1-methylpyrazol-4-yl)amino]-9-methylpurin-2-yl]pyrrolidin-3-yl]prop-2-enamide" . "(S)-[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol" . "3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(morpholin-4-ylmethyl)-4,7-dihydropyrrolo[4,5]pyrido[1,2-d]pyrimidin-2-one" . "N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide" . "N-[2-(dimethylamino)ethyl]-1-[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide" . "4-O-[2-(diethylamino)-2-oxoethyl] 1-O-methyl (E)-but-2-enedioate" . "(1-acetyloxy-3-hexadecanoyloxypropan-2-yl) (9Z,12Z)-octadeca-9,12-dienoate" . "(6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid" . "3-[(4-methylphenyl)methylsulfanyl]-1-phenyl-1,2,4-triazole" . "(E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one" . "4-[(4-cyclopropylisoquinolin-3-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoic acid" . "(8Z,11Z,14Z)-icosa-8,11,14-trienoic acid" . "N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide" . "6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one" . "2-[4-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylphenyl]-1,3-thiazole-4-carboxylic acid" . "1-(3-amino-1H-1,2,4-triazol-5-yl)-N-[2-(4-chlorophenyl)ethyl]-N-(2-methylpropyl)piperidin-4-amine" . "trimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium" . "1-[2-chloro-4-ethoxy-5-(morpholin-4-yl)benzoyl]-3-{6-[(4-methylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-yl}urea" . "(6R)-6-(2-fluorophenyl)-N-[3-[2-(2-methoxyethylamino)ethyl]phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine" . "1-[(3S)-3-[4-amino-3-[2-(3,5-dimethoxyphenyl)ethynyl]pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one" . "[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone" . "3-(2-((4-chloronaphthalen-1-yl)oxy)ethyl)pyridine 1-oxide" . "4-[[4-amino-6-(methoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]piperazin-2-one" . "N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide" . "[3,5-bis(trifluoromethyl)phenyl]methyl (1R,5S,6S)-6-{[(1H-1,2,3-benzotriazol-5-yl)formamido]methyl}-3-azabicyclo[3.1.0]hexane-3-carboxylate" . "4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-(2-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethynyl)benzamide" . "benzyl N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate" . "2-amino-4-[(1R)-1-{[(3Z,6R)-6-[(5-chloro-2-methoxyphenyl)methyl]-7-oxo-3-(phenoxyimino)-1,4-diazepane-1-carbonyl]amino}propyl]benzoic acid" . "7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide" . "2-fluoro-5-[2-[(4S)-4-(4-methyl-1,1-dioxothian-4-yl)-2-oxopyrrolidin-1-yl]ethoxy]benzonitrile" . "7-ethyl-4-[3-(4-ethylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine" . "N-[(1S)-1-{4-[4-methoxy-2-(4-methoxybenzenesulfonyl)benzenesulfonyl]phenyl}ethyl]methanesulfonamide" . "3-{8-chloro-3-[(1R)-2,2,2-trifluoro-1-({pyrido[3,2-d]pyrimidin-4-yl}amino)ethyl]quinolin-2-yl}pyridin-1-ium-1-olate" . "(4-methoxyphenyl)-morpholin-4-yl-sulfanyl-sulfanylidene-$l^{5}-phosphane" . "2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol" . "benzyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]pentan-2-yl]carbamate" . "2-(2-cyclopropaneamidopyridin-4-yl)-4-methoxy-N-{3-[(1,2,3,4-tetrahydroacridin-9-yl)amino]propyl}-1,3-thiazole-5-carboxamide" . "2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide" . "2,2-difluoro-N-[(1R,2S)-3-methyl-1-[1-(1-methyl-6-oxopyridin-3-yl)indazol-5-yl]oxy-1-phenylbutan-2-yl]propanamide" . "8-cyclopentyl-2,6-diphenyl-7H-purine" . "1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-[2-methylsulfanyl-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea" . "(5Z)-5-[(4-pyridin-4-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione" . "1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea" . "4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol" . "2-[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrazine" . "N-[3-[(4aS,5R,7aS)-2-amino-5-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-(difluoromethyl)pyrazine-2-carboxamide" . "(3S)-3-[(2S)-2-[(2S)-2-{5-[(3aS,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanamido}-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-({1-[bis(4-chlorophenoxy)phosphoryl]butyl}carbamoyl)propanoic acid" . "N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide" . "N-[3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-cyano-3-methylpyridine-2-carboxamide" . "N,N-dimethyl-2-pyrrolidin-1-ylquinazolin-4-amine" . "(2S)-3-[4-[5-(2-cyclopentyl-6-methoxypyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]propane-1,2-diol" . "N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-2-carboxamide" . "(1R,3aR,3bR,9bR,11aR)-1-[(1R)-1-{[2-(dimethylamino)ethyl]amino}ethyl]-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol" . "[(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-6,20,22-trihydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16-oxo-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-10-yl] carbamate;hydrochloride" . "[(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-21-[2-(dimethylamino)ethylamino]-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate" . "[(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-6-hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate" . "2,5-dihydroxy-1,4-dithiane-2,5-dicarboxylic acid" . "N-[3-[(4aS,5S,7aS)-2-amino-5-(fluoromethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide" . "N-[3-[(4aS,5S,7aS)-2-amino-5-(fluoromethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide" . "5,7-ditert-butyl-3-hydroxy-3-(trifluoromethyl)-1-benzofuran-2-one" . "Benzyl ((((E)-4-((tert-Butyldimethylsilyl)oxy)-3-methylbut-2-en-1-yl)oxy)(phenoxy)phosphoryl)-L-alaninate" . "1-(4-{7,7-dimethyl-6,6-dimethylidene-4-[(3S)-3-methylmorpholin-4-yl]-5H,7H-6λ⁶-thieno[3,4-d]pyrimidin-2-yl}phenyl)-3-ethylurea" . "(3S)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-N-[2-oxo-2-(phenylmethylamino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide" . "N-[5-[2-(2,6-dichlorophenyl)-5-(difluoromethyl)pyrazol-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide" . "1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-1-phenylurea" . "3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid" . "N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide" . "[4-[(E)-4-[[(2S)-1-[(2S)-2-[(4-iodophenyl)-phenylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-4-oxobut-2-en-2-yl]phenyl] dihydrogen phosphate" . "(2S)-2-[[4-[2-(2,4-diaminoquinazolin-6-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioic acid" . "N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-[1-(propan-2-yl)piperidin-4-yl]-1-benzofuran-4-carboxamide" . "4-{1-[(5R)-6-{[4-(trifluoromethyl)phenyl]methyl}-6-azaspiro[2.5]octane-5-amido]cyclopropyl}benzoic acid" . "4-[8-[4-(4-tert-butylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide" . "4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one" . "(2S)-2-amino-4-[2-(1-aminoethylideneamino)ethylsulfanyl]butanoic acid" . "2-(4-ethoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[5,1-f]pyridazine" . "(1R,2S,3R)-1-[(2E)-2-(1-nitrosoethylidene)-1,3-dihydroimidazol-4-yl]butane-1,2,3,4-tetrol" . "3-methyl-5-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-1,2,4-oxadiazole" . "N-cyclopropyl-1-[3-[2-(1-oxidopyridin-1-ium-3-yl)ethynyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide" . "(2S,4R)-N-(1-cyanocyclopropyl)-4-[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]sulfonyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide" . "2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)-N-[2-(dimethylamino)ethyl]acetamide" . "N-[4-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide" . "(7S)-3-fluoro-4-[3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide" . "6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine" . "N-[(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine" . "2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid" . "N-(3,5-dichloro-1-hydroxypyridin-4-ylidene)-6-(difluoromethoxy)-[1]benzoxolo[3,2-c]pyridine-9-carboxamide" . "(7S)-2-(4-phenoxyphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide" . "N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]furo[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide" . "4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]morpholine" . "2-[3-[(5R)-5-[(7-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclobutyl]acetic acid" . "2-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole" . "4-[(3S)-3-(but-2-ynoylamino)piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide" . "5-[1-(cyclopropylmethyl)-5-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine" . "6-{[2-(4-bromophenyl)ethyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione" . "1-(3-{3-[(Z)-2-[3-(pyrrolidine-1-carbonyl)phenyl]diazen-1-yl]phenoxy}propyl)piperidine" . "1-(3-{3-[(E)-2-[3-(pyrrolidine-1-carbonyl)phenyl]diazen-1-yl]phenoxy}cyclobutyl)piperidine" . "propan-2-yl 4-[(3S,5aR,6R,7R,8aS)-6-[(E,3R)-4-(2,5-difluorophenoxy)-3-hydroxybut-1-enyl]-7-hydroxy-3,4,5,5a,6,7,8,8a-octahydro-2H-cyclopenta[b]oxepin-3-yl]butanoate" . "2-[4-[(E)-(2-oxocyclohexylidene)methyl]phenyl]propanoic acid" . "6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid" . "(3-(benzo[d] [1,3] dioxol-4-yloxy)-3-(4-fluorophenyl)-N, N-dimethylpropan-1-amine" . "N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine" . "4-[[(1S)-2-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-5-(4-methyl-2-oxopiperazin-1-yl)-3,4-dihydro-1H-isoquinoline-1-carbonyl]amino]benzoic acid" . "5-[(3-chloro-4-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione" . "ethyl 4-[2-methyl-7-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate" . "[(2R)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid" . "[(2R)-1-[2-(naphthalene-1-carbonylamino)acetyl]pyrrolidin-2-yl]boronic acid" . "1-(2-hydroxyethyl)-4-methyl-N-(4-methylsulfonylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide" . "N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylbenzenesulfonamide" . "N-{[4-methoxy-2-(trifluoromethyl)phenyl]methyl}-1-propanoylpiperidine-4-carboxamide" . "N-[(2S,3R)-3-hydroxy-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-{[(4-phenylbut-1-en-2-yl)oxy]methyl}oxan-2-yl]oxy}octadecan-2-yl]hexacosanamide" . "1,1,1-trifluoro-3-[(5-fluoro-2-{1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl}pyrimidin-4-yl)amino]-2-(trifluoromethyl)propan-2-ol" . "4-[[(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chlorobenzonitrile" . "N-(3-(1-(((3S)-2-Hydroxy-5-oxotetrahydrofuran-3-yl)carbamoyl)cyclopropyl)-1- isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-methyl-4-(naphthalen-2- ylamino)benzamide" . "(3R,4R)-4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol" . "(2S)-2-[(3-{5-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-7-sulfonamido}thiophen-2-yl)formamido]-5-carbamimidamidopentanoic acid" . "(3Z)-5-[(1-ethylpiperidin-4-yl)amino]-3-[(3-fluorophenyl)-(5-methyl-1H-imidazol-2-yl)methylidene]-1H-indol-2-one" . "[(2S,4S)-4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone" . "3-(3-fluorophenyl)-2-[(1S)-1-[(9H-purin-6-yl)amino]propyl]-4H-chromen-4-one" . "1-(cyclopropylmethyl)-5-fluoro-4-methyl-N-[5-(1-methyl-1H-imidazol-4-yl)pyridin-2-yl]-1H-1,3-benzodiazol-6-amine" . "3-[(1S)-1-imidazo[1,2-a]pyridin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine" . "3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(3-oxooxazinan-2-yl)methyl]benzamide" . "3-[(2R)-2,3-dihydroxypropyl]-6-fluoro-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione" . "N-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]quinazolin-6-yl]prop-2-enamide" . "4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridin-3-yl]-3-(trifluoromethyl)benzamide" . "3-[(3-aminooxan-4-yl)amino]-5-[(2-tert-butyl-7-methyl-2H-indazol-5-yl)amino]-1,2,4-triazine-6-carboxamide" . "1-[4-[4-amino-7-[1-(2-hydroxyethyl)pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea" . "6-(2,4-difluorophenoxy)-2-(1,5-dihydroxypentan-3-ylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one" . "[8-[6-amino-5-(trifluoromethyl)pyridin-3-yl]-1-[6-(2-cyanopropan-2-yl)pyridin-3-yl]-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide" . "1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[[5-fluoro-2-[1-(2-hydroxyethyl)indazol-5-yl]oxyphenyl]methyl]urea" . "1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine" . "N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfinylethylamino)methyl]furan-2-yl]quinazolin-4-amine" . "1-N'-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]pyridin-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide" . "(7Z)-N-[2-(diethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide" . "2-[2-chloro-4-(trifluoromethyl)phenyl]-5,7-dihydroxy-8-[(2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]chromen-4-one" . "N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide" . "4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-6-methoxy-7-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline-3-carbonitrile" . "(1S,2S,3R,4R)-3-[[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide" . "N'-cyclopropyl-N-quinolin-6-yl-7H-purine-2,6-diamine" . "(3aR,6aR)-N-[4-(3-ethynylanilino)-7-methoxy-4,4a-dihydroquinazolin-6-yl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide" . "2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-4-one" . "10-benzyl-2-(2-chlorophenyl)-7,8,9,11-tetrahydro-3H-pyrazolo[4,5]pyrido[5,6-a][1,4]diazepine-1,5-dione" . "(1R,4aS,8aS)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde" . "2-(2-chlorophenyl)-4-[3-(dimethylamino)phenyl]-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione" . "1,9-dinitro-dibenziodolium" . "2-(2-chlorophenyl)-5-[(1-methylpyrazol-3-yl)methyl]-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione" . "2-(2-chlorophenyl)-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione" . "{[(3R,3aS,9R,9aS,9bS)-9-hydroxy-6,9-dimethyl-2-oxo-2H,3H,3aH,4H,5H,7H,8H,9H,9aH,9bH-azuleno[4,5-b]furan-3-yl]methyl}dimethylazanium" . "(2S)-2-{[5-(4-fluorophenyl)furan-2-yl]formamido}butanedioic acid" . "9-cyclopentyl-N6-[4-(morpholin-4-ylmethyl)phenyl]-N2-[(1r,4r)-4-aminocyclohexyl]-9H-purine-2,6-diamine" . "dimethyl 2-methylidenebutanedioate" . "4-[(E)-(2,3-dihydro-1H-isoindol-2-yl)(hydroxyimino)methyl]-1,2,5-oxadiazol-3-amine" . "[(4aS)-4-(3-acetyloxy-3-methylpent-4-enyl)-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate" . "8-[6-[3-(dimethylamino)propoxy]pyridin-3-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one" . "N-[2-[(4aR,6S,8aR)-2-benzamido-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide" . "2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(2-methoxypyridin-4-yl)-2-oxoacetamide" . "5-(benzenesulfonyl)-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide" . "2-amino-1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]ethanone" . "(2S)-2-({6-[4-(trifluoromethoxy)phenyl]pyridin-2-yl}formamido)butanedioate" . "methyl 2-[3-(4-oxo-1-cyclohexa-2,5-dienylidene)-1,2-oxazolidin-5-yl]acetate" . "N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine" . "1-[3-chloro-5-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]pyridin-2-yl]piperidine-4-carboxylic acid" . "(1R,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one" . "N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-2-phenyl-2-(1,2,3,4-tetrahydroquinolin-1-yl)acetamide" . "(1R,4S,5R,8S,9R,10S,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane" . "4-oxo-4-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid" . "(3r,5as,6r,8as,9r,10s,12r,12ar)-decahydro-3,6,9-trimethyl-3,12-epoxy-12h-pyrano[4,3-j][1,2]benzodioxepin-10-ol" . "(1R,4S,5R,8S,9R,10S,12R,13R)-10-ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane" . "1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine" . "3-(2,4-dimethoxypyrimidin-5-yl)quinoline-5,8-dicarboxylic acid" . "4-amino-6-{[(1S)-1-{3-methyl-6-[3-({4-[methyl(2-methylpropyl)amino]piperidin-1-yl}methyl)phenyl]-5-oxo-5H-[1,3]thiazolo[3,2-a]pyridin-7-yl}ethyl]amino}pyrimidine-5-carbonitrile" . "4-[3-(3-tert-butyl-4-pyrrolidin-1-ylphenyl)-4-(2-hydroxyethoxy)phenyl]benzoic acid" . "(2,5-dioxopyrrolidin-1-yl) 4-[bis(4-chlorophenyl)methyl]piperazine-1-carboxylate" . "N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide" . "6-(3-{2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl}phenyl)-4-methoxypyridine-2-carboxamide" . "1-[5-amino-4-(3,4-dichlorophenyl)-3-methyl-1H-pyrazol-1-yl]ethan-1-one" . "ethyl 4-({3,4-dioxo-2-[(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)amino]cyclobut-1-en-1-yl}amino)piperidine-1-carboxylate" . "N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide" . "5-[4-(4-cyanobut-1-ynyl)phenyl]-1-(2,4-dichlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpyrazole-3-carboxamide" . "5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one" . "(1S,4S,4aR,8aS)-4-[(3S)-3-hydroxy-3-methylpent-4-en-1-yl]-4a,8,8-trimethyl-3-methylidene-decahydronaphthalen-1-yl N-methylcarbamate" . "2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol" . "3-{[1-(2,4-difluorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-2-one" . "4-{2-{4-(cis-dispiro[adamantane-2,3'-[1,2,4]trioxolane- 5',1''-cyclohexane]-4''-yl)phenoxy]ethyl}morpholine" . "2-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]isoindole-1,3-dione" . "(2R)-2-[5-[5-chloro-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]propanamide" . "(3S)-3-methylsulfanyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-propan-2-yloxypyridin-3-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide" . "6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one" . "6-benzyl-3-pyridin-4-yl-2,5-dihydro-1H-pyrazolo[4,3-g]quinazolin-7-one" . "(R)-2-(1-(6-amino-5-chloropyrimidine-4-carboxamido)ethyl)-N-(5-chloro-4-(trifluoromethyl)pyridin-2-yl)thiazole-5-carboxamide" . "[(1S,3R)-3-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[(1S,4S)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone" . "1-{4-[benzyl(methyl)sulfamoyl]phenyl}-3-(1,3-thiazol-2-yl)urea" . "(4S)-3'-(3,6-dihydro-2H-pyran-5-yl)-1'-fluoro-7'-(3-fluoropyridin-2-yl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine" . "3-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-one" . "3-[2-[1-(3-fluoro-4-hydroxyphenyl)triazol-4-yl]quinolin-5-yl]oxybenzoic acid" . "N-{5-[({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-yl}carbamothioyl)amino]pentyl}-4-({2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]quinolin-5-yl}oxy)butanamide" . "2‐Methyl‐11‐(1‐methylethyl)‐8‐(pyrimidin‐2‐yloxy)‐2,5,6,11,12,13‐hexahydro‐4H‐indazolo[5,4‐a]pyrrolo[3,4‐c]carbazol‐4‐one" . "2-[[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile" . "(2S)-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one" . "N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide" . "6-[(3,5-difluoro-2-methoxyphenyl)amino]-N-(3,4-dihydroxy-3-methylbutyl)-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide" . "(E)-2-[(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-4-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile" . "N-[5-[5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]benzamide" . "(R)-4-((8-Cyclopentyl-5,7-dimethyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino)-3-(cyclopentyloxy)-N-(1-methylpiperidin-4-yl)benzamide" . "2-[[(2R)-2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydrobenzo[b][1,4]thiazepin-8-yl)oxy]acetyl]amino]-2-phenylacetyl]amino]acetic acid" . "3-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-5-{4-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-1-yl}benzoic acid" . "4'-carbamoyl-5-{4-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-1-yl}-[1,1'-biphenyl]-3-carboxylic acid" . "3-[[[(1R)-1-(4-fluorophenyl)ethyl]-(quinoline-3-carbonyl)amino]methyl]benzoic acid" . "N-(benzenesulfonyl)-3-methoxy-4-({1-methyl-5-[(phenylcarbamoyl)amino]-1H-indol-3-yl}methyl)benzamide" . "N-[7-(1-adamantylmethoxy)-6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropanesulfonamide" . "(R)-4-((8-Cyclopentyl-5-methyl-6-oxo-7-propyl-5,6,7,8-tetrahydropteridin-2-yl)amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide" . "N-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)pyridin-2-yl]acetamide" . "N-[4-(2-Hydroxyethyl)phenyl]-2-[(4-nitrobenzoyl)amino]benzamide" . "(3S,6S,12aS)-1,2,3,4,6,7,12,12a-Octahydro-9-methoxy-6-(2-methylpropyl)-1,4-dioxopyrazino[1',2':1,6]pyrido[3,4-b]indole-3-propanoic acid 1,1-dimethylethyl ester" . "(5aS,12S,14aS)-1,2,3,5a,6,11,12,14a-Octahydro-9-methoxy-12-(2-methyl-1-propen-1-yl)-5H,14H-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione" . "3-Chloro-N-[3-chloro-4-(4-chloro-1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]-2-pyridinecarboxamide" . "methyl N-[4,6-diamino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate" . "(2R)-2-[[(1R,4S,7S,10S,13S,16R,21R,27S,34R,37S,40S)-10-(2-amino-2-oxoethyl)-34-[[(2S)-4-carboxy-2-[[(2S)-3-carboxy-2-[[(2R)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]butanoyl]amino]-37-(2-carboxyethyl)-27-[(1R)-1-hydroxyethyl]-4-methyl-40-(2-methylpropyl)-3,6,9,12,15,23,26,29,35,38,41-undecaoxo-7,13-di(propan-2-yl)-18,19,31,32-tetrathia-2,5,8,11,14,22,25,28,36,39,42-undecazabicyclo[14.13.13]dotetracontane-21-carbonyl]amino]-4-methylpentanoic acid" . "5-(2-methyloctan-2-yl)-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3-diol" . "3-(8-(2-(Trifluoromethyl)pyridin-4-yl)-1,5-naphthyridin-2-yl)benzenesulfonamide" . "5-[8-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide" . "4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol" . "3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-ol" . "2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)pyridin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine" . "6-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one" . "6-chloro-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-quinolin-4-one" . "(E)-N-[[4-(4-acetylpiperazin-1-yl)phenyl]methyl]-3-(4-tert-butylphenyl)-N-[(2S)-1-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]prop-2-enamide" . "6-chloro-N4-cyclopropyl-N4-(2-thienylmethyl)-2,4-pyrimidinediamine" . "2-N-(4-cyclopropyl-5-fluoro-6-methylpyridin-2-yl)-5-[(3R)-3,4-dimethylpiperazin-1-yl]-4-N-(1,5-dimethylpyrazol-3-yl)pyrimidine-2,4-diamine" . "7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline" . "4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentyl-5-(pentylamino)cyclohexa-3,5-diene-1,2-dione" . "(E)-3-[2,6-dichloro-4-[[4-[3-[(1S)-1-hexoxyethyl]-2-methoxyphenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]-2-methylprop-2-enoic acid" . "N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)pyridin-3-yl]ethyl]-1-methoxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxamide" . "N-methyl-N-[2-oxo-2-[(2,3,4-trifluorophenyl)amino]ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide" . "(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyrazin-2-ylprop-2-enehydrazide" . "(E)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-pyrimidin-5-ylprop-2-enamide" . "4-chloro-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid" . "4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]benzoic acid" . "methyl 1-(2-phenylethyl)-4-(phenyl-propanoylamino)piperidine-4-carboxylate" . "2-methyl-5-thiophen-2-ylfuran-3-carboxylic acid" . "3-(4-chlorophenyl)-1-[1-(4-methylphenyl)propyl]urea" . "1-(4-chlorophenyl)-1,3-dimethyl-3-[1-(4-methylphenyl)propyl]urea" . "2-(3-pentylphenyl)acetic acid" . "N-[3-[[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide" . "3-[(2S)-6-[3-(difluoromethoxy)-5-fluorophenyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-2,2-dimethylpropanoic acid" . "indolo[3,2-b]carbazole" . "1H-indol-3-ylmethanol" . "quinolin-3-ylmethyl (2S)-2-[[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]methylcarbamoyl]pyrrolidine-1-carboxylate" . "3-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylpropanal" . "1-((6-aminopyridin-3-yl)methyl)-3-(4-bromophenyl)urea" . "1-(2-propan-2-yloxyethyl)-2-sulfanylidene-5H-pyrrolo[2,3-e]pyrimidin-4-one" . "2-[6-(5-chloro-2-methoxyphenyl)-4-oxo-2-sulfanylidenepyrimidin-1-yl]acetamide" . "4-[(2-chloro-5-fluorophenyl)methoxy]-N-(pyridin-3-yl)-1,2-benzoxazol-3-amine" . "(E)-N-(3-dimethylaminopropyl)-N'-hydroxy-2-(naphthalen-1-yloxymethyl)oct-2-enediamide" . "3-methylsulfonylpropanenitrile" . "4-[(Z)-[4-oxo-2-sulfanylidene-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-5-ylidene]methyl]benzoic acid" . "6-(trans-4-phenylcyclohexyl)-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidine-2,4(1H,3H)-dione" . "(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid" . "(2S,3R)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methylpyridin-3-yl)-1,2,4-triazol-3-yl]-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide" . "1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate" . "3-Benzyl-1-(trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-(4-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl)urea" . "N-[2-[[(7S,8R)-7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-methylimidazole-4-sulfonamide" . "2-(N-{4-[N-(carboxymethyl)4-methoxybenzenesulfonamido]isoquinolin-1-yl}4-methoxybenzenesulfonamido)acetic acid" . "N-[1-[(3R,4R)-3-(azetidin-1-yl)-4-benzyl-3,4-dihydro-2H-chromen-6-yl]azetidin-3-yl]-1-cyclopropylmethanesulfonamide" . "[(4E)-2-(hydroxymethyl)-4-[(1-methylindol-3-yl)methylidene]-5-oxooxolan-2-yl]methyl 2-propylpentanoate" . "4-hydroxy-3-[4-(2-hydroxyphenyl)phenyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile" . "5-(4-bromophenyl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-6-(sulfamoylamino)pyrimidine" . "4-(4-Chlorophenyl)-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-2(1H)-one" . "2-(4-phenoxyphenoxy)-6-[(1S,4S)-2-prop-2-enoyl-2,5-diazabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide" . "2-[(2,6-Dichlorobenzyl)thio)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole" . "3-cyano-N-[1-methyl-3-[1-(2-methylpropanoyl)piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]benzamide" . "(2-(diphenylamino)-4-(4-methoxyphenyl)thiazol-5-yl)(phenyl)methanone" . "1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-3-(3,4-dichlorophenyl)urea" . "8-(propan-2-yl)-N4-{[4-(pyridin-2-yl)phenyl]methyl}-N2-[(1r,4r)-4-aminocyclohexyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine" . "4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzamide" . "3-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)propanoic acid" . "1-{5-[(1-hydroxy-7-methyl-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]pyrazine-2-carbonyl}-3-methylazetidin-3-ol" . "4-[(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol" . "3-[(1R,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-5-methyl-1,2,4-oxadiazole" . "(2S)-4-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-[(4-methylnaphthalen-1-yl)sulfonylamino]butanamide" . "4-[8-[(2-cyclopropyl-5-ethoxy-4-methylphenyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-3-yl]benzoic acid" . "N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluoro-6-methylbenzamide" . "2,6-difluoro-N-[1-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide" . "5-[(7-chloro-1H-indol-3-yl)methyl]-3-[4-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]butyl]imidazolidine-2,4-dione" . "(2S)-3-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-[[(3R)-3-octanoyloxytetradecanoyl]amino]-4-[(3R)-3-octanoyloxytetradecanoyl]oxy-5-phosphonooxyoxan-2-yl]oxy-2-[[(3R)-3-octanoyloxytetradecanoyl]amino]propanoic acid" . "6-chloro-2-(trichloromethyl)chromen-4-one" . "[4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone" . "2-(3-{4-Amino-6-[(1-methyl-1H-pyrazol-4-yl)amino]-1,3,5-triazin-2-yl}-2-(hydroxymethyl)phenyl)-6-cyclopropyl-8-fluoroisoquinolin-1(2H)-one" . "7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one" . "5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyrimidin-2-amine" . "5-chloro-N-[[(5S)-2-oxo-3-[4-(2-oxopyridin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide" . "N,N-dimethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine" . "8-chloro-11-[1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene]-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine" . "N,N-dimethyl-2-[3-[(1S)-1-pyridin-2-ylethyl]-1H-inden-2-yl]ethanamine" . "3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-ylbenzamide" . "4,4-difluoro-N-[(1S)-3-[(1S,5R)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-thiophen-3-ylpropyl]cyclohexane-1-carboxamide" . "(2R,4R)-2-(2-chlorophenyl)-3-(4-(3,5-dimethylisoxazol-4-yl)benzoyl)thiazolidine-4-carboxylic acid" . "7-{2-methoxy-6-[(4-methylpyridin-2-yl)methoxy]phenyl}-2,3,4,5,5a,9a-hexahydro-1H-3-benzazepine" . "7-butoxy-3-hydroxy-6-methoxy-1-oxo-3,4-dihydro-1H-2-benzopyran-5-carbaldehyde" . "2-[3-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenoxy]acetic acid" . "(5Z)-5-[[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-(2-methoxyethylimino)-3-methyl-1,3-thiazolidin-4-one" . "4'-(propan-2-yl)-4-{[(1r,4r)-4-hydroxycyclohexyl]amino}-[1,1'-biphenyl]-3-carboxamide" . "(2-ethylsulfonylphenyl)-[(2S)-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methyl-piperazin-1-yl]methanone" . "3-[6-(3-chlorophenyl)hexanoyl]-1,3-oxazolidin-2-one" . "trans-4-(5-(4-((4-Methyl-1,4-diazepan-1-yl)methyl)phenyl)-2-(((S)-pentan-2-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexan-1-ol" . "3-(4-ethylphenyl)-1-(1H-indol-3-yl)urea" . "methyl 2-[(5-bromo-4-fluoro-2-methylphenyl)sulfamoyl]-5-(3,5-dichlorobenzenesulfonamido)benzoate" . "N-[4-(trifluoromethoxy)phenyl]-4-[(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)methyl]piperidine-1-carboxamide" . "N-(4-methanesulfonylpyridin-3-yl)-8-(3-methyl-1-benzothiophen-5-yl)quinoxalin-6-amine" . "1-{4-[5-carbamoyl-2-(1-ethyl-3-methyl-1H-pyrazole-5-amido)-1H-1,3-benzodiazol-1-yl]butyl}-2-(1-ethyl-3-methyl-1H-pyrazole-5-amido)-1H-1,3-benzodiazole-5-carboxamide" . "1-[(2E)-4-[5-carbamoyl-2-(1-ethyl-3-methyl-1H-pyrazole-5-amido)-7-[3-(morpholin-4-yl)propoxy]-1H-1,3-benzodiazol-1-yl]but-2-en-1-yl]-2-(1-ethyl-3-methyl-1H-pyrazole-5-amido)-7-methoxy-1H-1,3-benzodiazole-5-carboxamide" . "[1-[2-[[4-[(4-carbamoylpiperidin-1-yl)methyl]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate" . "N-[2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl]-2-methoxyacetamide" . "methyl (2S)-2-[[1-[(4-fluorophenyl)methyl]indazole-3-carbonyl]amino]-3,3-dimethylbutanoate" . "2,2-dimethyl-1-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one" . "1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea" . "3-[(4R)-2,2-dimethyl-1,1-dioxothian-4-yl]-5-(4-fluorophenyl)-1H-indole-7-carboxamide" . "N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1-(trifluoromethyl)isoquinolin-6-amine" . "N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxy-2-morpholin-4-ylphenyl]prop-2-enamide" . "5-[3-fluoro-4-[5-oxo-1-[(3S)-oxolan-3-yl]-1,2,4-triazol-4-yl]phenyl]-2-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]pyridine-3-carbonitrile" . "methyl (E,5S,6R)-5,6-dihydroxy-8-[5-[(1R)-1-hydroxyhexyl]-1,2-dimethylimidazol-4-yl]oct-7-enoate" . "4,9-dioxo-N-[2-(piperidin-1-yl)ethyl]-4H,9H-naphtho[2,3-b]furan-2-carboxamide" . "N-[4-(aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide" . "5-[4,6-bis(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine" . "N-[5-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide" . "1,1,1,3,3,3-hexafluoro-2-[3-fluoro-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol" . "1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethanone" . "1-([1,1′-biphenyl]-3-yl)-N-((1-(2-chlorobenzyl)piperidin-4-yl)methyl)methanamine" . "(R)-1-(2-(7,8-Dimethoxy-5-oxo-1,5-dihydro-4H-benzo[c]pyrrolo[2,3-h][1,6]naphthyridin-4-yl)butanoyl)azetidine-3-carbonitrile" . "4-(Cyclohexylmethyl)-7,8-dimethoxy-1,4-dihydro-5H-benzo[c]pyrrolo[2,3-h][1,6]naphthyridin-5-one" . "1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)urea" . "4-methyl-2-(2-naphthalen-1-yl-2-oxoethyl)sulfanyl-1~{H}-pyrimidin-6-one" . "2-[4-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]acetamide" . "7-bromo-6-chloro-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]quinazolin-4-one" . "2-(1,3-benzodioxol-5-yl)-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide" . "1-(5-{4-Amino-7-ethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2,3-dihydro-1H-indol-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethan-1-one" . "N-((1R,3S)-3-Cyanamido-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl)-3-cyanobenzenesulfonamide" . "(S)-N-(6-(5-Phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl)cyanamide" . "2-[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol" . "4-(9H-carbazol-4-yloxy)-1-[2-(2-methoxyphenoxy)ethylamino]butan-2-ol" . "6-[2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-5-yl]-N,N-bis(2-methoxyethyl)hex-5-ynamide" . "2-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-[3-[2-(2-methoxyethoxy)ethoxy]prop-1-ynyl]-3-[[2-(trifluoromethyl)phenyl]methyl]quinazolin-4-one" . "1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-imidazol-2-ylidene-2H-pyrazolo[3,4-b]pyridin-1-yl)ethanone" . "[2-[[5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylmethyl]-4-(trifluoromethoxy)phenyl]boronic acid" . "2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole" . "6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione" . "2-[4-[4-(tert-butylcarbamoyl)-2-[(2-chloro-4-cyclopropylphenyl)sulfonylamino]phenoxy]-5-chloro-2-fluorophenyl]acetic acid" . "2-[3-[2-(tert-butylsulfanylmethyl)-4-(2,2-dimethylpropanoylamino)phenoxy]-4-methoxyphenyl]acetic acid" . "9-(2-cyclopropylethynyl)-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one" . "N'-(6-chloro-2-methoxyacridin-9-yl)-N,N-diethylpentane-1,4-diamine" . "(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one" . "4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide" . "4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide" . "methyl 4-[3-[[4-[(4-sulfamoylphenyl)methylsulfamoyl]phenyl]carbamoylamino]benzenecarboximidoyl]piperazine-1-carboxylate" . "(3S)-N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxamide" . "N-(adamantan-1-yl)-1-(5-hydroxypentyl)-4-methyl-5-phenyl-1H-pyrazole-3-carboxamide" . "2-[8-fluoro-2-(naphthalene-1-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]acetic acid" . "[2-amino-4-(trifluoromethoxy)phenyl]-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone" . "17-Cyclopropylmethyl-3,14β-dihydroxy-4,5α-epoxy-6β-[(3'-fluoro-4'-pyridyl)acetamido]morphinan" . "1-[4-({[1,1'-biphenyl]-2-yloxy}methyl)phenyl]ethan-1-one" . "7-(5-methylfuran-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]pyridin-2-yl]methyl]triazolo[4,5-d]pyrimidin-5-amine" . "5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine" . "6-(p-Tolyl)-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine" . "3-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6~{R})-6-methyl-4-oxo-5,6-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one" . "4-(cyclopropylmethoxy)-3-methoxy-N-[2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide" . "1-(2,2-difluoro-1,3-benzodioxol-5-yl)-~{N}-[1-[(2~{R})-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl]cyclopropane-1-carboxamide" . "(2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol" . "(3'S)-1'-({3',5'-dihydro-2'H-spiro[cyclopropane-1,4'-pyrido[3,2-b][1,4]oxazepin]-8'-yl}carbonyl)-[1,3'-bipyrrolidin]-2-one" . "1-hydroxy-9-methoxy-3-(2-methyloctan-2-yl)benzo[c]chromen-6-one" . "L-tyrosyl-L-isoleucyl-L-prolyl-L-isoleucyl-L-glutaminyl-L-tyrosyl-L-valyl-L-leucyl-L-seryl-L-arginine" . "N-[2-[3-[[5-[3-(dimethylcarbamoyl)phenyl]-2-methoxyphenyl]sulfonylamino]phenyl]ethyl]-2-(triazol-2-yl)benzamide" . "4-[(~{Z})-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol" . "4-[(~{Z})-1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]phenol" . "2-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole" . "3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-8-(piperidin-1-ylmethyl)-6,11-dihydro-5~{H}-benzo[b][1]benzazepine" . "[(3~{R},5~{S},6~{S},7~{R},8~{S},9~{R},12~{R},13~{S},14~{R},15~{R})-6-[(2~{S},3~{R},4~{S},6~{R})-3-acetyloxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-[(2~{R},4~{S},5~{S},6~{S})-5-acetyloxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-10,16-dioxo-1,11-dioxaspiro[2.13]hexadecan-14-yl] acetate" . "(2~{R})-3,3,3-trifluoro-2-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]-2-hydroxypropanamide" . "(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-10,10b-dihydroxy-6-{[(2-isothiocyanatoethyl)amino]methoxy}-3,4a,7,7,10a-pentamethyl-1-oxo-dodecahydro-1H-naphtho[2,1-b]pyran-5-yl acetate" . "(3S,4aR,5S,6S,6aS,10S,10aR,10bS)-6-({[2-(dimethylamino)ethyl]amino}methoxy)-3-ethyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-dodecahydro-1H-naphtho[2,1-b]pyran-5-yl acetate" . "2-(1~{H}-benzimidazol-2-ylsulfanyl)-~{N}-[(~{E})-(5-bromo-2-hydroxyphenyl)methylideneamino]propanamide" . "(S)-(2-((3-(4-((4-([1,1′-Biphenyl]-4-yl)thiazol-2-yl)amino)phenyl)-1,2,4-oxadiazol-5-yl)methyl)pyrrolidin-1-yl) (amino)methaniminium" . "(R)-N-(3-((4-((2-(Hydroxymethyl)pyrrolidin-1-yl)methyl)benzyl)oxy)phenyl)benzamide" . "N-((3S,4S)-3-((6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl)amino)tetrahydro-2H-pyran-4-yl)acrylamide" . "N-[5-[3-[2-(cyclopropylmethyl)pyrimidin-4-yl]-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl]-2-fluorophenyl]methanesulfonamide" . "L-alanyl-L-leucyl-L-lysyl-L-alanyl-L-tryptophyl-L-seryl-L-valyl-L-alanyl-L-arginine" . "glycyl-L-tyrosyl-L-prolyl-L-methionyl-L-tyrosyl-L-prolyl-L-leucyl-L-prolyl-L-arginine" . "1-(2,4-dichlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[5,4-b]indole-3-carboxylic acid" . "6,7-dimethoxy-2-(5-methyl-1,2-benzoxazol-3-yl)-4-(piperidin-1-ylcarbonyl)isoquinolin-1(2H)-one" . "(3R,3'R,4'S)-1'-(6-amino-5-fluoropyrimidin-4-yl)-3-[3-chloro-5-(trifluoromethyl)anilino]-2-oxo[1,3'-bipiperidine]-4'-carboxamide" . "N-(5-{2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-2,3-dihydro-1H-isoindol-5-yl}-4-methyl-1,3-thiazol-2-yl)acetamide" . "1-[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]-3-[2-(1-propylimidazol-4-yl)ethyl]urea" . "(1R,2R,3S,4R,5S)-4-{2-chloro-6-[(dicyclobutylmethyl)amino]-9H-purin-9-yl}-1-(hydroxymethyl)bicyclo[3.1.0]hexane-2,3-diol" . "(7R)-2-{[(5-chloropyridin-2-yl)oxy]methyl}-5-(2-fluoropyridin-3-yl)-7-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one" . "methyl 4-[3-[2-(4-acetamidophenyl)sulfanylacetyl]-2,5-dimethylpyrrol-1-yl]benzoate" . "N-{3-chloro-4-[(5-chloropyridin-2-yl)oxy]phenyl}pyridine-2-carboxamide" . "5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole" . "3-methoxy-1,5-bis(4-methoxyphenyl)-1,2,4-triazole" . "4-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide" . "tert-butyl 3-benzyl-4-{4-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-1-carbonyl}piperazine-1-carboxylate" . "{2-[(2R,5R)-2-benzyl-5-(but-3-yn-1-yl)piperidine-1-carbonyl]-2H-1,2,3-triazol-4-yl}bis(4-fluorophenyl)methanol" . "(3R)-3-[[(2R,6S)-6-methyloxan-2-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one" . "pyridin-3-yl 4-(phenylcarbamoyl)piperidine-1-carboxylate" . "2-methyl-5-phenylfuran-3-carboxylic acid" . "1-[1-[3-chloro-4-[2-chloro-4-(trifluoromethoxy)phenoxy]pyridin-2-yl]piperidin-4-yl]-3-pyridin-3-ylthiourea" . "(2E)-3-(3-bromophenyl)-N-ethylprop-2-enamide" . "2-amino-4-[[3-(carboxymethyl)phenoxy]-methoxyphosphoryl]butanoic acid" . "4-[[[2-(cyclohexylamino)-2-oxoethyl]-(4-propan-2-ylbenzoyl)amino]methyl]-N-hydroxybenzamide" . "cyclopropyl 4-[3-methyl-1-(3-methylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]piperidine-1-carboxylate" . "2-(3-chloro-4-fluorophenyl)-N-(1-cyclohexyl-3-methyl-1H-pyrazol-5-yl)acetamide" . "1-[4-(2H-tetrazol-5-yl)butyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine" . "(E)-3-[4-(3-methylbut-2-enyl)-3-(3-phenylpropanoylamino)phenyl]prop-2-enoic acid" . "5-(methylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile" . "3-(2-nitro-1-phenylethyl)-2-phenyl-1H-indole" . "N-{5-bromo-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,2-dihydropyridin-3-yl}cycloheptanecarboxamide" . "(2E)-2-[7-fluoro-1-(2-methylpropyl)-2-oxoindol-3-ylidene]acetic acid" . "1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one" . "2-(dimethylamino)-N-[2-[3-[[5-[3-(dimethylcarbamoyl)phenyl]-2-methoxyphenyl]sulfonylamino]anilino]ethyl]benzamide" . "3-[1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one" . "N-(4-methoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1,3-thiazol-2-amine" . "(2R)-2-[(1S)-6,7-dimethoxy-1-[2-[6-(trifluoromethyl)-2-tritiopyridin-3-yl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-2-(2-tritiophenyl)acetamide" . "1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole" . "8-(3-chlorophenoxy)-7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione" . "[(1R,2S,3R,6S,8Z,10S,12R,14R,15R)-1,2-dihydroxy-3,7,7,10,14-pentamethyl-11-oxo-16,17-dioxatricyclo[10.3.1.13,6]heptadec-8-en-15-yl] (E)-3-methylpent-2-enoate" . "N-butyl-1H-benzimidazol-2-amine" . "N-[3-(1-adamantyloxy)propyl]-3-(6-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)propanamide" . "1-benzyl-N-(furan-2-ylmethyl)benzimidazol-2-amine" . "7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-[3-(trifluoromethoxy)phenoxy]purine-2,6-dione" . "2-(2-bromophenyl)-3,5,7-trihydroxy-4H-chromen-4-one" . "[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate" . "2-nitro-N-[4-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]-4-(trifluoromethyl)benzamide" . "3-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]propanoic acid" . "N-(4-chloroanilino)-N'-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanimidamide" . "4-[[5-(4-propan-2-ylpiperazin-1-yl)pyridin-2-yl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one" . "(6R,15R)-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one" . "2-[[6-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]pyridin-2-yl]amino]acetic acid" . "(3R,11S)-6-fluoro-3,11-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one" . "N-[2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine" . "2-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one" . "6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(6-methoxypyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-3-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile" . "5-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile" . "N-(7-chloroquinolin-4-yl)-N'-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N'-methylethane-1,2-diamine" . "3-hydroxy-5-{[(naphthalen-2-yl)carbamoyl]amino}benzoic acid" . "3-[3-hydroxy-5-(thiophen-2-yl)phenyl]-1-(naphthalen-2-yl)urea" . "4-(benzimidazol-1-yl)-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]benzamide" . "propyl 4-[(1-hexyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate" . "3-chloro-N-[4-(methylamino)cyclohexyl]-N-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide" . "N-[2-(3',6',10,11b-tetramethyl-3-oxospiro[1,2,4,6,6a,6b,7,8,11,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-4'-yl)ethyl]-6-(3-phenylpropanoylamino)hexanamide" . "(E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanimine" . "3,4,5-trimethoxy-N-[N'-[4-methyl-3-[[4-(2-phenylethyl)benzoyl]amino]phenyl]carbamimidoyl]benzamide" . "4-fluoro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-2-(trifluoromethyl)benzamide" . "2-[6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl]propan-2-ol" . "6-(2-methylpiperidin-1-yl)sulfonyl-N-(3,4,5-trimethoxyphenyl)quinolin-2-amine" . "1-(3-Cyano-5-oxo-5,7-dihydrofuro[3,4-b]pyridin-2-yl)-4-methyl-N-((4-methylbenzyl)sulfonyl)piperidine-4-carboxamide" . "(3S,4S)-1-{4-[(3S,4S)-3,4-bis({[(1S,2R)-2-phenylcyclopropyl]carbamoyl})pyrrolidine-1-carbonyl]benzoyl}-N3,N4-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide" . "[(2R)-2-amino-3-phenylpropyl] carbamate" . "4-{[(5-bromo-2-{[3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)amino]methyl}benzene-1-sulfonamide" . "4-[(1-benzoyl-5-methoxy-2-methyl-1H-indol-3-yl)methyl]-1,2,5-oxadiazol-3-ol" . "6-chloro-5,8-dihydroxy-7-morpholin-4-ylnaphthalene-1,4-dione" . "3-[[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-(3-dimethylamino-3-oxopropyl)sulfanylmethyl]sulfanylpropanoic acid" . "2-[(3Z)-6-fluoro-2-methyl-3-[(4-propan-2-ylphenyl)methylidene]inden-1-yl]acetic acid" . "1-[5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-2H-triazol-4-yl]-N,N-dimethylmethanamine" . "2-{3-[1-(2-chloroacetyl)pyrrolidin-2-yl]phenyl}-N-(3-chlorophenyl)acetamide" . "4-((3(8-Methoxy-2,4-dioxo-3-propyl-3,4-dihydropyrido[2,1-f]purin-1(2H)yl)propyl)carbamoyl)benzenesulfonyl Fluoride" . "(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]-N-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide" . "(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine" . "(4S)-6-fluoro-4-[(2R,4S)-2-(pyridin-2-yl)-4-(trifluoromethyl)piperidin-1-yl]-N-(pyrimidin-4-yl)-3,4-dihydro-2H-1-benzopyran-7-sulfonamide" . "9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-yloxypurin-6-amine" . "5-[(2-aminoethyl)sulfanyl]-3-(propan-2-yl)-N-{[4-(pyridin-2-yl)phenyl]methyl}-1H-pyrazolo[4,3-d]pyrimidin-7-amine" . "5-(2-chlorophenyl)-7-fluoro-8-methoxy-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine" . "(2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)-3-methylpenta-2,4-dienoic acid" . "[4-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]-[6-(1H-benzimidazol-2-yl)pyridin-2-yl]methanone" . "1-N,4-N-bis[3-(1H-benzimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide" . "[(3S)-3-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]oxypyrrolidin-1-yl]-(oxan-4-yl)methanone" . "7-{[(1R,2S)-2-aminocyclohexyl]amino}-5-[(3-methylphenyl)amino]-4-oxo-3H,4H-pyrido[3,4-d]pyridazine-8-carbonitrile" . "(1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine" . "4-[[5-Chloro-4-(4-hydroxy-4-methyl-cyclohexoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethyl-3-[(1R)-2,2,2-trifluoro-1-methyl-ethoxy]benzamide" . "(2R,3S)-3-methanesulfonamido-N-methyl-2-({[(1r,4s)-4-ethylcyclohexyl]oxy}methyl)cyclohexane-1-carboxamide" . "2-[4-(7-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[3,2-e]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide" . "4-[[4-[(Z)-[2-(4-ethoxycarbonylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]methyl]benzoic acid" . "6-hydroxy-3-[1-[4-(naphthalen-1-ylamino)-4-oxobutyl]triazol-4-yl]-2-phenyl-1-benzofuran-5-carboxylic acid" . "3,6-dimethyl-4-pentan-3-yloxy-2-(2,4,6-trimethylphenoxy)pyridine" . "3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine" . "deamino-2-thien-2-yl-glycyl-L-tryptophyl-alpha-methyl-L-tryptophyl-L-arginyl-L-prolyl-L-arginyl-L-asparaginamide" . "2-(2-trityloxyethyl)guanidine" . "5-[(1R)-1-hydroxy-2-[4-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-4-methyl-3H-2-benzofuran-1-one" . "1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one" . "3-(4-chlorophenyl)-1-{3-[(1E)-2-(4-methoxyphenyl)ethenyl]phenyl}urea" . "(2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid" . "N-[7-cyano-6-[4-fluoro-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide" . "N-[6-(4-fluoro-3-{2-[3-(trifluoromethyl)phenyl]acetamido}phenoxy)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide" . "N-{4-[(2-cyclopropaneamidopyridin-4-yl)oxy]-2,3-dimethylphenyl}-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide" . "5-[3-[4-(4-Chlorophenyl)-1-piperidinyl]propyl]pyrrolo[1,2-a]quinoxalin-4(5H)-one" . "N'-(7-chloroquinolin-4-yl)-N,N-diethylpropane-1,3-diamine" . "2-[(tert-butylamino)methyl]-6-(4-chlorophenyl)-4-[(7-chloroquinolin-4-yl)amino]phenol" . "(4R)-N-[5-(3,4-dichlorophenoxy)-6-methoxy-4-methylquinolin-8-yl]pentane-1,4-diamine" . "1-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]-3-N,5-dimethyl-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide" . "4-tert-butyl-2-[(tert-butylamino)methyl]-6-[5-fluoro-6-(trifluoromethyl)pyridin-3-yl]phenol" . "2-[(tert-butylamino)methyl]-4-[(7-chloroquinolin-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol" . "(1R,4S,5S,8R)-8-[(Z)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-4,8-dimethyl-6,7-dioxabicyclo[3.3.1]nonan-3-one" . "N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-6-fluoro-4-oxochromene-2-carboxamide" . "4-[2-methyl-2-[4-(1-spiro[1,2,4-trioxane-3,2'-adamantane]-6-ylethenyl)phenoxy]propoxy]-4-oxobutanoic acid" . "4-(4-cyclopropylimidazol-1-yl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide" . "(S)-6,7-Dimethoxy-1-(2-(6-methyl-1H-indol-3-yl)ethyl)-3,4-dihydroisoquinoline-2(1H)-carbaldehyde" . "N-(6-(3-(3-(3-Bromophenyl)ureido)-4-fluorophenoxy)benzo[d]thiazol-2-yl)cyclopropanecarboxamide" . "N-(2,4-Difluoro-3-(4-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-1,2,3-triazol-1-yl)phenyl)-[1,1'-biphenyl]-3-sulfonamide" . "3-{2-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethynyl}pyridine" . "9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[4,3-a]isoquinolin-4-one" . "2-[[5-(benzenesulfonyl)-2-chlorobenzoyl]amino]benzoic acid" . "4-chloro-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene" . "2-[3-[12-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]dodecyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol" . "(3S,6S,9R,12S,15S,23S)-15-[[(2S)-2-acetamidohexanoyl]amino]-9-benzyl-6-[3-(diaminomethylideneamino)propyl]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-23-carboxylic acid" . "2-(aminomethyl)-3,5-ditert-butylphenol" . "2-[(tert-butylamino)methyl]-5-[(7-chloroquinolin-4-yl)amino]phenol" . "2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(3S)-2,2-dimethyl-4-oxo-1-sulfooxyazetidin-3-yl]amino]-2-oxoethylidene]amino]oxyacetic acid" . "2-[4-(1,3-benzothiazol-5-ylamino)-6-tert-butylsulfonylquinazolin-7-yl]oxyethyl dihydrogen phosphate" . "(3E)-3-[1-[4-[(6-methoxyquinolin-8-yl)amino]pentylamino]ethylidene]oxolan-2-one" . "N-[4-(4-chloro-2-fluorophenyl)-2,5-dimethylpyrazol-3-yl]-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide" . "5-fluoro-2-methoxy-6-{[(1r,4r)-4-aminocyclohexyl]amino}pyridine-3-carboxamide" . "N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide" . "1-[(1R)-1-(2,4-Dichlorophenyl)ethyl]-6-[(4S,5R)-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylcyclohexen-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile" . "N-[(2S,3R)-3-Hydroxy-1-phenyl-4-[[(1R)-1-phenylethyl]amino]butan-2-yl]-4-(4-methylpiperazine-1-carbonyl)benzamide" . "2-[4-(1,3-benzothiazol-5-ylamino)-6-tert-butylsulfonylquinazolin-7-yl]oxyethanol" . "2-(4-Chloro-3-(trifluoromethyl)phenyl)-N-(4-((6,7-dimethoxyquinolin-4-yl)oxy)phenyl)acetamide" . "7-[(4-chlorophenyl)methyl]-8-[4-chloro-3-(trifluoromethoxy)phenoxy]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione" . "(4-fluorophenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone" . "4-fluoro-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline" . "6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one" . "(1,1-dioxo-1,4-thiazinan-4-yl)-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridin-3-yl]methanone" . "4-Amino-5-fluoro-8-(5-methoxy-1H-indazol-6-yl)quinoline-3-carboxamide" . "3-[(2Z,5Z)-2-[(2-chlorophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene]-5-fluoro-2,3-dihydro-1H-indol-2-one" . "(4S,5S,9S)-4-Benzyl-5-hydroxy-9-isopropyl-1-oxa-3,8,11-triazacyclodocosane-2,7,10-trione" . "4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine" . "6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide" . "4-(prop-2-ynylamino)benzenesulfonamide" . "2-butylpyrazolo[1,5-a]quinoxalin-4-amine" . "5-Chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-N-((3S,4S,6S)-4-(3,4-difluorophenyl)-6-(2-(methylamino)-2-oxoethyl)piperidin-3-yl)furan-2-carboxamide" . "4-Fluoro-N-(2-(5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl)phenyl)benzene-sulfonamide" . "N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-5-(1-hydroxyethyl)-1H-pyrazole-3-carboxamide" . "(2-(4-Amino-6-((4-phenoxybenzyl)amino)-1,3,5-triazin-2-yl)-3-fluorophenyl)methanol" . "2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(3-methyloxetan-3-yl)methoxy]quinazolin-6-yl]pyridin-3-yl]benzenesulfonamide" . "Methyl 3-(((6-Amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl)sulfanyl)methyl)benzoate" . "(2S)-2-(dimethylcarbamothioyl)-N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]pyrrolidine-1-carboxamide" . "N-(4-Bromo-3-(piperidin-1-ylsulfonyl)phenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide" . "2-[4-(3-chlorobenzoyl)phenoxy]-N-(pyridin-3-yl)acetamide" . "N-(4-Chlorophenyl)-N-(3-oxo-cyclohex-1-enyl)acetamide" . "(2S)-1-{[4-({2-bromo-[1,1'-biphenyl]-3-yl}methoxy)-5-chloro-2-[(2-cyanopyridin-4-yl)methoxy]phenyl]methyl}piperidine-2-carboxylic acid" . "(3S)-3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)phenyl)-4-((1S,3R)-1-methyl-3-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl)pyrrolidin-1-ium-1-yl)butanoate" . "(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1S)-1-carboxyethoxy]iminoacetyl]amino]-3-[(1-ethylpyridin-1-ium-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "2-(4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid" . "1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine" . "6-imidazol-1-yl-2-phenylquinazoline" . "1-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine" . "[5-(3-methylsulfonyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine" . "4-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol" . "[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate" . "N-[3-[6-amino-5-[2-[methyl(prop-2-enoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-4-cyclopropyl-2-fluorobenzamide" . "3-[(1R,5S)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile" . "2-(4-chlorophenoxy)-N-[5-(methanesulfonamido)-2-adamantyl]-2-methylpropanamide" . "[(1S)-2,2-difluorocyclopropyl]-[(1S,5R)-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone" . "4-[2-fluoro-4-[(2-phenylacetyl)carbamothioylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide" . "(2R,3S)-3-[[6-[(4,6-dimethylpyridin-3-yl)methylamino]-9-propan-2-ylpurin-2-yl]amino]pentan-2-ol" . "N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide" . "1-(cyclopropylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine" . "4-[(3S)-1-prop-2-enoylpiperidin-3-yl]-1H-indole-7-carboxamide" . "1-[2-(4-{dispiro[adamantane-2,2'-[1,3,4,6]tetraoxane-5',1''-cyclohexan]-4''-yl}phenoxy)ethyl]-4-fluoropiperidine" . "N-[5-[6-fluoro-8-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-morpholin-4-ylquinazolin-4-yl]-2-methoxypyridin-3-yl]methanesulfonamide" . "N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]-5-[[(E)-4-(dimethylamino)but-2-enoyl]amino]pyridine-2-carboxamide" . "2-(dimethylamino)-5-(2-methylpropanoylamino)-N-[(1R)-1-phenylethyl]benzamide" . "propan-2-yl 2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-(prop-2-enoylamino)anilino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate" . "(1,1-dimethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate" . "1-(4-cyanophenyl)-3-[4-[4-[(4-cyanophenyl)carbamoylamino]phenoxy]phenyl]urea" . "4-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide" . "N-(2-aminophenyl)-6-(7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamide" . "4-[[4-(4-chloroanilino)furo[2,3-d]pyridazin-7-yl]oxymethyl]-N-methylpyridine-2-carboxamide" . "N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]prop-2-enamide" . "(1S,2S)-2-[5-(5-chloro-2,4-difluoro-N-(2-fluoro-2-methylpropyl)anilino)-3-methoxypyrazine-2-carbonyl]cyclopropane-1-carboxylic acid" . "[5-[3-ethyl-5-(1-methylpyrazol-4-yl)phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine" . "6,7-dimethoxy-2-methyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine" . "N-(2-(1-Aminoisoquinolin-6-yloxy)-4-methylphenyl)-2-methoxybenzenesulfonamide" . "Endo 5-Hexyl-4-phenyl-3a-(1-phenylvinyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl sulfamide" . "rac-(1R,5R,6R)-3-Hexyl-6-hydroxy-2-phenyl-1-(phenylvinyl)-bicyclo[3.3.0]oct-2-ene" . "tert-butyl N-[2-(ethoxycarbonylamino)-5-[(4-fluorophenyl)methyl-prop-2-ynylamino]phenyl]carbamate" . "(3S)-1-[4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid" . "1-(3-((cis)-3-(2-Butylpyrrolidine-1-carbonyl)cyclohexyl)phenyl)-5-cyclopropyl-1H-pyrazole-4-carboxylic acid" . "5-((R)-4-((R)-3-Methylmorpholino)-5a,6,8,9-tetrahydro-5H-pyrimido[5',4':4,5]pyrrolo[2,1-c][1,4]oxazin-2-yl)pyrazin-2-amine" . "N-(4-{3-[2-(methylcarbamoyl)ethyl]-5-[4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl]-1H-pyrazol-1-yl}phenyl)prop-2-ynamide" . "4-[4-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazol-2-yl]butanoic acid" . "(3S)-3-(3-bromo-5-tert-butylphenyl)-3-[[2-[[3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]amino]acetyl]amino]propanoic acid" . "3-(3-Cyclopropylphenyl)-3-((5-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy)pyridin-2-yl)amino)propanoic acid" . "methyl 4-[[3-[2-(aminomethyl)-5-[(3-fluoropyridin-4-yl)carbamoyl]phenyl]benzoyl]amino]benzoate" . "1-[1-(cyclooctylmethyl)-5-(hydroxymethyl)-3,6-dihydro-2H-pyridin-4-yl]-3-ethylbenzimidazol-2-one" . "2-[3-[[4-(2-chloro-6-fluorophenyl)piperidin-1-yl]methyl]-2-(morpholine-4-carbonyl)indol-1-yl]acetamide" . "(2S)-N-[(2,4-dichlorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide" . "2-(2,6-dichlorophenyl)-1-[(1S,3R)-3-(hydroxymethyl)-5-(3-hydroxy-3-methylbutyl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone" . "6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline" . "(3aR,5S,6S,7R,7aR)-5-(difluoromethyl)-2-ethylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol" . "(3aR,5R,6S,7R,7aR)-2-ethylimino-5-(hydroxymethyl)-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol" . "(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[6-(dimethylamino)-1-methyl-2,4-dioxoquinazolin-3-yl]phenyl]propanoic acid" . "5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione" . "2-[3-[(1R)-1-[(2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carbonyl]oxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]acetic acid" . "[(2R,3R,4R,5R)-4-acetyloxy-5-(4-amino-5-ethenyl-2-oxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate" . "N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine" . "5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1-one" . "6-(4-tert-butylphenoxy)pyridin-3-amine" . "N-[3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-5-prop-2-ynoxypyrazine-2-carboxamide" . "(4S)-N-(1-aminoethylidene)-5-(4-chlorophenyl)-N'-(4-chlorophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide" . "3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione" . "N-(2,5-Dioxopyrrolidin-3-yl)cinnamamide" . "6-(4-methylpiperazin-1-yl)-3-naphthalen-2-yl-4-pyridin-4-ylpyridazine" . "4-O-[2-(2,5-dioxopyrrolidin-1-yl)ethyl] 1-O-methyl (E)-but-2-enedioate" . "N-(2-Chloro-6-methylphenyl)-2-((6-(4-(8-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methyl-thiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-8-oxooctanoyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)thiazole-5-carboxamide" . "(3S,5R,10S,13S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile" . "2-[(1r,4r)-4-{8-oxo-2-[(2-oxo-1,2-dihydropyridin-3-yl)amino]-8,9-dihydro-7H-purin-9-yl}cyclohexyl]acetonitrile" . "[(3aR,9bR)-9b-(4-fluorophenyl)sulfonyl-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3a,4,5-tetrahydro-1H-benzo[e]indol-3-yl]-(4-hydroxy-1,1-dioxothian-4-yl)methanone" . "N-[2-[2-[2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide" . "7-Cyclopentyl-2-[[5-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl]oxy]acetamido]butyl]piperazin-1-yl]pyridin-2-yl]amino]-N,N-dimethyl-7H-pyrrolo[2,3d]pyrimidine-6-carboxamide" . "N-[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide" . "[(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyhexylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate" . "4-tert-butyl-N-[3-[6-[4-[4-[6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexyl]piperazine-1-carbonyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide" . "(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]sulfamoyl]benzoyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide" . "2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]acetamide" . "2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide" . "N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidine-4-carboxamide" . "(R)-N-(1-(3-Chloro-4′-fluoro-[1,1′-biphenyl]-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-(3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl)-1,3,4-oxadiazol-2-yl)benzamide" . "[(1R)-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate" . "2-((1-(2-Fluoro-4-((4-(1-isopropyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl)(methyl)amino)ethan-1-ol" . "N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide" . "N-(benzenesulfonyl)-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide" . "5-Methylnaphtho[1,2-d]thiazol-2-amine" . "3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]aniline" . "2-[2-(1H-benzimidazol-2-yl)-6-chlorophenyl]-5-[[(1R)-1-phenylbutyl]carbamoyl]benzoic acid" . "2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)pyridin-3-yl]methoxy]benzaldehyde" . "4-(4-{[4-(Methoxy)phenyl]methyl}phenyl)-1,3-thiazol-2-ylamine" . "(2S,4R)-1-((S)-20-(tert-Butyl)-1-(3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)phenyl)-1,18-dioxo-3-oxa-2,7,19-triazahenicosan-21-oyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide" . "[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate" . "(2S,4R)-1-[(2S)-2-[[2-[5-[ethyl-[2-[4-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbonyl]phenoxy]ethyl]amino]pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide" . "6-(2,4-dichlorophenyl)-5-[4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid" . "(5R)‐3‐(4‐carbamimidoylphenyl)‐N‐((S)‐1‐(naphthalen‐1‐yl)propyl)‐2‐oxooxazolidine‐5‐carboxamide" . "(2S,3R,4S,5S)-3-tert-Butyl-4-{[2-methoxy-5-(trifluoromethyl)pyridin-3-yl]methoxy}-5-(2-methylphenyl)-1-[(2S)-oxane-2-carbonyl]pyrrolidine-2-carboxylic acid" . "(5Z)-5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione" . "(2S,4R)-N-((S)-3-(3-(4-((4-(((1r,3r)-3-(3-Chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl)carbamoyl)phenyl)ethynyl)piperidin-1-yl)azetidin-1-yl)-3-oxo-1-phenylpropyl)-4-hydroxy-1-((R)-3-methyl-2-(3-methylisoxazol-5-yl)butanoyl)pyrrolidine-2-carboxamide" . "(2S)-4-(3-carboxypropyl)-8-[[4-[4-(2-chloro-5-fluorophenyl)butoxy]benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid" . "4-(5-carboxy-2-oxopentyl)-8-(2-oxo-2-{4-[(5-phenylpentyl)oxy]phenyl}ethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid" . "2-phenyl-1,2-benzoselenazol-3-one" . "1-(4-amino-5-chloro-2-methoxyphenyl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one" . "2-Amino-6-(2,3-dichlorobenzyl)-5-isopropyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one" . "methyl 3-[(1R)-1-(3,4-difluorophenyl)propyl]-5-(1,2-oxazol-5-yl)-2-sulfanylidene-1H-imidazole-4-carboxylate" . "2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylbenzoic acid" . "(2S)-1-Bromo-3-(phosphonooxy)propan-2-yl 10-Phenyldecanoate" . "(S)-6-((1-hydroxy-3-phenylpropan-2-yl)amino)-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)nicotinamide" . "(R)-2-(2-hydroxyphenyl)-3-(1-phenylpropan-2-yl)-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4(3H)-one" . "(4aR,6R,7R,7aS)-6-(2-amino-8-bromo-6-oxo-6,9-dihydro-3H-purin-9-yl)-7-hydroxy-2-sulfanylidene-hexahydro-2λ⁵-furo[3,2-d][1,3,2]dioxaphosphinin-2-olate" . "(2S)-6-amino-2-[(2R)-2-({[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-N'-[(4-fluorocyclohexyl)methyl]propanehydrazido]sulfonyl}amino)-3-phenylpropanamido]hexanamide" . "4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carbonitrile" . "(E)-3-(6-aminopyridin-3-yl)-N-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-benzofuran-2-yl]methyl]prop-2-enamide" . "(4R,7S,10S,13R,16S)-1-[[(2S)-2-aminopropanoyl]amino]-13-benzyl-4,10-bis(1H-indol-3-ylmethyl)-7-methyl-2,5,8,11,14-pentaoxo-21-prop-2-enyl-1,3,6,9,12,15,21-heptazacyclopentacos-23-yne-16-carboxamide" . "5-(Bis(4-chlorophenyl)methyl)-3-methylthiophene-2-carbonyl)-l-arginine hydrochloride" . "3-((2-Amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)ethynyl)-N-(4-chlorophenyl)-4-methylbenzamide" . "(R)-2-Methoxy-N-(2-methoxy-5-(7-((4-(oxetan-3-yl)morpholin-2-yl)methoxy)-1,3-dihydroisobenzofuran-5-yl)pyridin-3-yl)ethanesulfonamide" . "2-{2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]-6-pentylphenyl}acetic acid" . "2-4-carboxyphenyl-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide" . "7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one" . "2-((4,6-Dimethylpyridin-2-yl)amino)-N-(2-(2-methyl-1H-indol-3-yl)ethyl)pyrimidine-5-carboxamide" . "N-(2-(benzylamino)-2-oxoethyl)-N-(4-(hydroxycarbamoyl)benzyl)-4-isopropylbenzamide" . "5-[(4S)-4-hydroxy-4-methyl-1,2-oxazolidine-2-carbonyl]-3-methyl-6-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-1-propan-2-ylthieno[2,3-d]pyrimidine-2,4-dione" . "(2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide" . "[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonic acid" . "(E)-3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]prop-2-enoic acid" . "2-[[5-(3,5-dichloropyridin-4-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)propan-1-one" . "2-(3-amino-6-chloroquinolin-2-yl)propan-2-ol" . "2-(4-chlorophenyl)-N-[4-(phenoxy)phenyl]quinazolin-4-amine" . "2-[4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-2,6-dioxopiperidin-1-yl]-N,N-dimethylacetamide" . "8-chloro-5-methyl-1-(4-pyridin-2-yloxycyclohexyl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine" . "benzyl N-[(2S)-4-(diaminomethylideneamino)oxy-1-[[(2S)-1-[[(3S,4S)-3-hydroxy-6-methyl-1-oxo-1-(2-phenylethylamino)heptan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamate" . "N-(3-chloro-4-fluorophenyl)-2-methyl-2-{[4-methyl-3-(morpholinosulfonyl)phenyl]amino}propanamide" . "N-[3-[(1S)-1-[[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide" . "1,3,5-trihydroxy-4-methoxy-10-methylacridin-9-one" . "2-[(4S)-4-amino-5-(2-aminoethylamino)pentyl]-1-nitroguanidine" . "6-(6-aminopurin-9-yl)-2-hydroxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol" . "5,7-dibromo-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbaldehyde" . "4-amino-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one" . "4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide" . "2-{1-[trans-4-(cyanomethyl)cyclohexyl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}-N-(2-hydroxy-2-methylpropyl)acetamide" . "N-(cyclopropylmethyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide" . "2-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-pyridin-2-ylpyridin-3-yl)pyrimidine-2,4-diamine" . "N-[5-[4-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxypyridin-3-yl]methanesulfonamide" . "(2S,4R)-1-((S)-2-(11-(4-(3-((4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)propyl)piperazin-1-yl)-11-oxoundecanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide" . "3-(4-(3-((4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)propyl)piperazin-1-yl)-N-(8-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)octyl)propanamide" . "3-[[4-(dimethylcarbamoyl)phenyl]-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-ylidene]methyl]benzamide" . "[5-[[2-(4-fluoro-3-methoxy-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-2-oxo-1,3-benzoxazol-3-yl]methyl dihydrogen phosphate" . "5-[[2-(4-fluoro-3-methoxy-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one" . "3-(Decyloxy)-N-hydroxy-4-methoxybenzamide" . "3-((4'-Chloro-[1,1'-biphenyl]-4-yl)methoxy)-N-hydroxyisoxazole-5-carboxamide" . "(2S)-2-[3-[3-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide" . "sodium;5-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxylate" . "4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]indazol-3-yl]benzoic acid" . "(3S,4R)-1-[1-(2-chloro-6-cyclopropylbenzoyl)-4-fluoro-1H-indazol-3-yl]-3-hydroxypiperidine-4-carboxylic acid" . "2-[3-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxyazetidin-1-yl]pyridine-4-carboxylic acid" . "2-[(3S)-7-fluoro-4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]-N-methylacetamide" . "ethyl (3S)-8-[2-amino-6-[(1R)-1-(4-chloro-2-phenylphenyl)-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylate" . "(3S)-8-[2-amino-6-[(1R)-1-(4-chloro-2-phenylphenyl)-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid" . "ethyl 1-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydropyrrole-3-carboxylate" . "(S)-3-Methyl-4-(7-((R)-3-methylmorpholino)-2-(1H-pyrazol-3-yl)thiazolo[5,4-d]pyrimidin-5-yl)morpholine" . "(1R,9R,10S)-17-(cyclopropylmethyl)-3,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide" . "(4R,4aS,7S,7aR,12bS)-9-methoxy-7-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol" . "2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide" . "(2S,3R,4R,5S,6R)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-ethylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol" . "[1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazol-4-yl]-morpholin-4-ylmethanone" . "4-[[benzyl-(8-chloro-1-methyl-4H-chromeno[4,3-c]pyrazole-3-carbonyl)amino]methyl]benzoic acid" . "5-[2-hydroxy-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]furan-2-carboxylic acid" . "N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyridin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide" . "2-(6-phenyl-1,3-benzothiazole-2-carbonyl)-5-[(sulfamoylamino)methyl]-1,3,4-oxadiazole" . "[1-(4-fluorophenyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone" . "6-[5-(3-chloro-4-fluorophenyl)-3-(2-hydroxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile" . "6-(6-chloropyridin-2-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine" . "2-[4,6-difluoro-1-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one" . "N-[(4-propan-2-ylphenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)aniline" . "N-[(2-bromo-4-chlorophenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)aniline" . "N-[(2-bromo-5-methoxyphenyl)methyl]pyridin-3-amine" . "2-[2-fluoro-4-[[3-(2-methylphenyl)phenyl]methoxy]phenoxy]acetic acid" . "methyl N-[(2S)-4-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]but-3-yn-2-yl]carbamate" . "N-[(2S,3E)-4-{6-[(7-chloro-2-ethoxy-1,3-benzothiazol-6-yl)oxy]pyridin-3-yl}but-3-en-2-yl]acetamide" . "2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3H-quinazolin-4-one" . "2-{[2-(4-{2-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]ethyl}piperazin-1-yl)ethyl]sulfanyl}-3,4-dihydroquinazolin-4-one" . "8-(hydroxymethyl)-2-[4-[6-(2-methoxyethylamino)-4-methylpyridin-3-yl]phenyl]-3H-quinazolin-4-one" . "(2R,4aR)-11-Chloro-9-fluoro-10-(2-fluoro-6-hydroxyphenyl)-2,6-dimethyl-3-(prop-2-enoyl)-2,3,4,4a-tetrahydro-1H-pyrazino[1′,2′:4,5]pyrazino[2,3-c]quinolin-5(6H)-one" . "6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one" . "4-methoxy-1-N,3-N-bis(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide" . "N-[4-[(1S,2S)-2-(dimethylamino)-1-imidazol-1-ylpropyl]phenyl]-1,3-benzothiazol-2-amine" . "(Z)-N-(3,5-Dimethoxyphenyl)-2-((4-(hydroxyimino)-1-oxo-1,4-dihydronaphthalen-2-yl) amino)-3-phenylpropanamide" . "5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one" . "5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine" . "4-Ethyl-N-(4-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)pyridin-2-yl)piperazine-1-carboxamide" . "(3R)-1-[3-[[3-amino-6-(2-fluoro-5-propan-2-yloxyphenyl)pyrazine-2-carbonyl]amino]pyridin-4-yl]piperidine-3-carboxylic acid" . "4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide" . "(2S)-2-[[[(4S)-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-[(4-chlorophenyl)sulfonylamino]methylidene]amino]-3-methylbutanamide" . "1-[4-(difluoromethoxy)-3-(oxolan-3-yloxy)phenyl]-3-methylbutan-1-one" . "4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol" . "4-[(1R,3R)-3-[(5-chloro-2-methoxyanilino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide" . "propyl 3-[2-(aminomethyl)-5-[(3-fluoropyridin-4-yl)carbamoyl]phenyl]benzoate" . "1-[(2-bromoquinoxalin-6-yl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one" . "3-[(6-chloropyridin-3-yl)oxymethyl]-2-azabicyclo[3.1.0]hexane" . "9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-3H,4H,9H-pyrido[3,4-b]indole" . "2,4-Difluoro-N-(2-methoxy-5-(3-(5-(2-(4-methylpiperazin-1-yl)ethyl)-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)benzenesulfonamide" . "[(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl]4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate" . "(S)-N-Benzyl-3-((S)-2-cinnamamido-3-cyclohexylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide" . "2-Iodoadenosine-5′-O-[(phosphonomethyl)phosphonic Acid]" . "[[(2R,3S,4R,5R)-5-[6-chloro-4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid" . "N-(3-bromophenyl)-1-(2-chloro-2-phenylethyl)-6-(2-morpholin-4-ylethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-amine" . "3-(3,4-dimethoxyphenyl)-N5-(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine" . "4-[(2S,4S)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid" . "8-chloro-6-[(6-chloropyridin-3-yl)methyl]-3-[(1S,2S)-2-hydroxycyclopentyl]-7-methyl-2H-1,3-benzoxazin-4-one" . "3-[(1S,2S)-2-hydroxycyclohexyl]-6-[(6-methylpyridin-3-yl)methyl]benzo[h]quinazolin-4-one" . "4-[4-[[(1R)-6-[2-[2-[[(2S)-5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]ethoxy]ethoxy]-1-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3,4-dihydro-2H-isoquinolin-7-yl]oxy]-2-fluorophenyl]benzoic acid" . "ethyl (2S,3S)-3-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate" . "2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate" . "benzyl (2Z,4S)-4-[(2S)-4-methyl-2-[(2S)-3-methyl-2-[(2S)-2-[(5-methyl-1,2-oxazol-3-yl)formamido]propanamido]butanamido]pentanamido]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate" . "6-(hexylamino)-1H-pyrimidine-2,4-dione" . "2-Chloro-N-(3-(morpholinosulfonyl)-4-(trifluoromethyl)phenyl)acetamide" . "2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide" . "Tert-butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-butan-2-yl)ami-no)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate" . "3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N,N-bis(cyclopropylmethyl)-8-methylquinolin-2-amine" . "(4S)-4-(3-fluoro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine" . "4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide" . "1-cyclohexyl-4-[1,2-di(phenyl)ethyl]piperazine" . "1-cyclohexyl-4-[1-(2-fluorophenyl)-2-phenylethyl]piperazine" . "1-cyclohexyl-4-[1-(3-fluorophenyl)-2-phenylethyl]piperazine" . "1-cyclohexyl-4-[1-(4-fluorophenyl)-2-phenylethyl]piperazine" . "(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide" . "N-[4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl]-1,3-benzothiazol-2-amine" . "1-[2-[4-(2-amino-5-chloropyridin-3-yl)phenoxy]pyrimidin-5-yl]-3-[2-methylsulfonyl-5-(trifluoromethyl)phenyl]urea" . "N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide" . "methyl (2R,3R)-2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(1-oxidopyridin-1-ium-4-yl)benzoyl]amino]butanoate" . "3-[(2R)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-[3-(4,6-dichlorocyclohexa-1,5-dien-1-yl)benzenesulfonamido]-3-oxopropyl]benzene-1-carboximidamide" . "(1R,3S,5Z)-5-[(2E)-2-[(3aS,7aS)-1-[(E,2R)-5-tert-butylsulfonylpent-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol" . "(2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid" . "1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one" . "6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)oxy]-N-methylpyridine-3-carboxamide" . "N-[(1S)-3-[(2Z)-2-[(4R)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazinyl]-1-(oxan-4-yl)-2,3-dioxopropyl]cycloheptanecarboxamide" . "3-(1,3-benzoxazol-2-yldiazenyl)-1H-indol-2-ol" . "1‐[(1S)‐1‐(2,3‐dichloro‐4‐methoxyphenyl)ethyl]‐3‐methyl‐3‐[(4R)‐1‐methyl‐3,3‐dimethyl‐4‐piperidyl]urea" . "6-chloro-1-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol" . "(2R,3R,4S,5S,6S)-2-[[(2R,3S,4R,4aR,6S,7R,8aS)-7-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-5-amino-6-(hydroxymethyl)oxane-3,4-diol" . "(2R)-N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propanamide" . "benzyl N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]carbamate" . "(3S)-N-cyclopropyl-3-[[(2R)-3-(cyclopropylmethylsulfonyl)-2-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]propanoyl]amino]-2-oxopentanamide" . "N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide" . "N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1H-indole-2-carboxamide" . "(2R)-2-[[6-[(2,4-dichlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]sulfanyl]octanoic acid" . "7-[(3E)-3-(2-amino-1-fluoroethylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid" . "[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl dihydrogen phosphate" . "(E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide" . "6-fluoro-1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid" . "(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-[(4-oxo-1H-1,5-naphthyridine-3-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" . "[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate" . "(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" . "2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid" . "[(1R,2S,3S,4R,5R,6R)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl] carbamate" . "(2R,3R,4S,5S,6R)-2-[(1R,2S,3S,4R,6S)-6-amino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[[(2S)-4-amino-2-hydroxybutyl]amino]-2-hydroxycyclohexyl]oxy-6-(aminomethyl)oxane-3,4,5-triol" . "1-cyclopropyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-4-hydroxypiperidin-1-yl]-4-oxoquinoline-3-carboxylic acid" . "(2S,5R,6R)-6-[(2-carboxy-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" . "(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" . "(6R,7R)-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-7-[[2-(trifluoromethylsulfanyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-[(4-carbamoyl-1-azoniabicyclo[2.2.2]octan-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" . "(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" . "[(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] carbamate" . "(3R)-3-[[2-[4-(2-aminoethylamino)cyclohexyl]acetyl]amino]-2-hydroxy-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid" . "(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[(S)-carboxy-(3,4-dihydroxyphenyl)methoxy]iminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "isopropyl (R)-2-(((1R,2R,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl)oxy)-2-fluoroacetate" . "(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[[1-[2-[(2-chloro-3,4-dihydroxybenzoyl)amino]ethyl]pyrrolidin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" . "(6R,7R)-3-[(E)-3-[(2-amino-2-oxoethyl)-ethyl-methylazaniumyl]prop-1-enyl]-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" . "(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "2-[1-[[(6R,7R)-2-carboxy-7-[[(2R)-2-[(5-carboxy-1H-imidazole-4-carbonyl)amino]-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]pyridin-1-ium-4-yl]ethanesulfonate" . "(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "(2R)-2-{[(2R,5R)-2-carbamoyl-4-methyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-3-en-6-yl]oxy}-2-fluoroacetic acid" . "(6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" . "(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(E)-2-[[5,6-dioxo-4-(2-oxoethyl)-1H-1,2,4-triazin-3-yl]sulfanyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" . "7-[(1R,5S,6S)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid" . "(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetyl]amino]-8-oxo-3-[(E)-[2-oxo-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-3-ylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "(6R,7R)-3-[[3-amino-4-(2-aminoethylcarbamoylamino)-2-methylpyrazol-1-ium-1-yl]methyl]-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" . "(2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" . "7-[(2S,3R)-3-amino-2-methylazetidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid" . "(1S,2R,5R,7R,8R,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-1,5,7,9,11,13-hexamethyl-9-[(E)-3-quinolin-3-ylprop-2-enoxy]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone" . "(1R,4aR,12aS)-3-acetyl-1-amino-4,4a,6,7-tetrahydroxy-8,11-dimethyl-12,12a-dihydro-1H-tetracene-2,5-dione" . "7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid" . "N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-5-methylheptanamide" . "(5S)-5-[(1,2-oxazol-3-ylamino)methyl]-3-[2,3,5-trifluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one" . "N-[[(5S)-3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide" . "(6R,7S,10R,11R,12E,17E,19E,21S)-6-[2-(diethylamino)ethylsulfonyl]-21-hydroxy-11,19-dimethyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14,23-tetrone" . "N-[(3S,6S,12R,15S,16R,19S,22S,25R)-25-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]sulfanylmethyl]-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide" . "1-(6-amino-3,5-difluoropyridin-2-yl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxoquinoline-3-carboxylic acid" . "4,5-diacetyloxy-9,10-dioxoanthracene-2-carboxylic acid" . "6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid" . "(4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[(2-pyrrolidin-1-ylacetyl)amino]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide" . "[(2R,3R,4R,6S)-6-[(2R,2'R,3'S,3aR,4R,4'R,6S,7S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(3aR,3'aS,4R,6'S,7R,7'R,7aS,7'aS)-7-(2,4-dihydroxy-6-methylbenzoyl)oxy-7'-hydroxyspiro[3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4,2'-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6'-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy-4',7-dihydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-[(2S,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy-2-methyloxan-3-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate" . "6-fluoro-1-(5-fluoropyridin-2-yl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid" . "(5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid" . "7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid" . "(2S)-2-amino-2-deuterio-3-fluoropropanoic acid" . "1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid" . "N-[2-(3-fluoro-5-methylsulfonylphenoxy)ethyl]propan-1-amine" . "2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenol" . "[(2R,3S)-3-methyloxiran-2-yl]phosphonic acid" . "3-(5-nitrofuran-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole" . "(2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid" . "(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-3-{[1,1'-biphenyl]-4-yl}-2-[(2S)-4-(naphthalen-2-yl)-2-[4-(pyridin-3-yl)butanamido]butanamido]propanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]butanediamide" . "(3R)-3-[[4-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione" . "1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid" . "5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine" . "(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2S)-2-phenoxybutanoyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" . "(5R,6S)-3-[2-(aminomethylideneamino)ethylsulfanyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid" . "7-[(3S,4S)-3-[(cyclopropylamino)methyl]-4-fluoropyrrolidin-1-yl]-6-fluoro-1-(2-fluoroethyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid" . "(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[(3S,5S)-5-[(1R)-1-hydroxy-3-(methylamino)propyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid" . "N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide" . "(4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid" . "(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide" . "(1S,2R,5R,7R,8R,9R,11R,13R,14S,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,6,12,16-tetraoxo-N'-[(1S)-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)ethoxy]-3,17-dioxabicyclo[12.3.0]heptadecane-15-carboximidamide" . "7-[(3S,5S)-3-amino-5-methylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid" . "6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-amine" . "5-amino-7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid" . "(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide" . "3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol" . "1-cyclopropyl-8-methyl-7-[5-methyl-6-(methylamino)pyridin-3-yl]-4-oxoquinoline-3-carboxylic acid" . "N'-methoxy-4-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide" . "(3S)-3-[5-[3-[(2R)-2-acetamido-2-carboxyethyl]sulfanyl-2-[[(2R)-2-acetamido-2-carboxyethyl]sulfanylcarbothioylamino]butanoyl]oxy-6-(acetyloxymethyl)-3-hydroxy-4-[5-hydroxy-4-methoxy-6-methyl-5-[(1S)-1-[(2S)-2-methylbutanoyl]oxyethyl]oxan-2-yl]oxyoxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid;(3S)-3-[5-[3-[(2R)-2-acetamido-2-carboxyethyl]sulfanyl-2-[[(2R)-2-acetamido-2-carboxyethyl]sulfanylcarbothioylamino]butanoyl]oxy-6-(acetyloxymethyl)-3-hydroxy-4-[5-hydroxy-4-methoxy-6-methyl-5-[(1S)-1-(2-methylpropanoyloxy)ethyl]oxan-2-yl]oxyoxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid" . "2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[1-[[3-[(5-hydroxy-4-oxo-1H-pyridine-2-carbonyl)amino]-2-oxoimidazolidin-1-yl]sulfonylcarbamoyl]-2-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid" . "(2S,5R,6R)-6-[[(2R)-2-[[2-[[amino(pyridin-4-yl)methylidene]amino]acetyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" . "(2S)-2-[[2-[(3S)-6-[4-(Diaminomethylideneamino)benzoyl]oxy-2,3-dihydro-1-benzofuran-3-yl]acetyl]amino]butanedioic acid" . "(2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[[(2S,3R)-3-amino-6-[(2-hydroxyethylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide" . "1-cyclopropyl-6-fluoro-8-methoxy-7-[(3R)-3-[(1S)-1-(methylamino)ethyl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid" . "N-[[(5S)-3-[3-fluoro-4-[4-[(2H-triazol-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide" . "[(1R,4S,5S,6R)-2-formyl-4,5,6-trihydroxycyclohex-2-en-1-yl] 3-methylbutanoate" . "(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[[4-[(5S)-5-methyl-2,5-dihydro-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]sulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid" . "[(2S,5R)-7-oxo-2-(piperidin-4-ylcarbamoyl)-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate" . "(5R,6S)-3-(carbamoyloxymethyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid" . "2-[(1S,2R,3R,7R,8S,9S,10R,12R,14E,16S)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde" . "(1S,5S,8aS,8bR)-1-[(1R)-1-hydroxyethyl]-5-methoxy-2-oxo-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylic acid" . "(3S)-5-N-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-7-N,3-dimethyl-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide" . "6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid" . "(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol" . "(1S,2R,5S,7R,8R,9R,11R,13R,14R)-15-[4-[4-(3-aminophenyl)triazol-1-yl]butyl]-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-5-fluoro-9-methoxy-1,5,7,9,11,13-hexamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone" . "5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid" . "[(3R,6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-[3-(4-aminobutylamino)propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-3-yl] hydrogen sulfate" . "2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide" . "(5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(1R,3S)-1-oxothiolan-3-yl]sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid" . "(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3R)-5-oxopyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid" . "2,2-dimethylpropanoyloxymethyl (4R,5S,6S)-3-[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate" . "(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)pyridin-3-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one" . "1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid" . "(2S)-N-benzyl-3-(4-chlorophenyl)-N-(1,5-dipyridin-4-ylpentan-3-yl)-2-[methyl-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]amino]propanamide" . "(4R,5S,6S)-3-[(3S,5S)-5-[(3S)-3-[[2-(diaminomethylideneamino)acetyl]amino]pyrrolidine-1-carbonyl]-1-methylpyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid" . "2-[(3R,6S)-2-hydroxy-3-[(2-thiophen-2-ylacetyl)amino]oxaborinan-6-yl]acetic acid" . "(3R,4R)-4-[(3S)-3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-3-carboxylic acid" . "1-cyclopropyl-6-fluoro-7-[(8E)-8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid" . "[(2S,5R)-7-oxo-2-[[[(3R)-piperidine-3-carbonyl]amino]carbamoyl]-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate" . "(1S,2R,5R,7R,8R,9R,11R,13R,14S)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-15-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone" . "[(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[[5-[[4-hydroxy-7-[(2R,3R,4S,5R)-3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1H-pyrrole-2-carbonyl)oxyoxan-2-yl]oxy-8-methyl-2-oxochromen-3-yl]carbamoyl]-4-methyl-1H-pyrrole-3-carbonyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate" . "tert-butyl 2-[2-[(2S,3S)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-methyl-4-oxoazetidin-1-yl]oxyacetyl]oxyacetate" . "4-(cyclopent-1-en-3-ylamino)-5-(2-(4-iodophenyl)hydrazinyl)-4H-1,2,4-triazole-3-thiol" . "tert-butyl N-[(2S)-1-[(2S,4R)-4-(7-chloro-4-methoxyisoquinolin-1-yl)oxy-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate" . "(2S)-1-hydroxy-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonic acid" . "1-[[6-[4-chloro-3-[3-(dimethylamino)propoxy]phenyl]-5-(2-methylphenyl)pyridine-2-carbonyl]amino]cyclohexane-1-carboxylic acid" . "[4-[4-[[(2R)-thiiran-2-yl]methylsulfonyl]phenoxy]phenyl]methanamine" . "(R)-2-((2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino)-2-methylhexan-1-ol" . "4,5,6,7-tetrachloro-2-[2-oxo-2-(2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione" . "(4S,7S,10S,13S,16R)-N-[(2S)-5-amino-1-hydroxypentan-2-yl]-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-10-[(2R)-butan-2-yl]-16-(1H-indol-3-ylmethyl)-N-methyl-6,9,12,15,18-pentaoxo-1-thia-5,8,11,14,17-pentazacycloicosane-4-carboxamide" . "[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate" . "(6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "(2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide" . "(2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" . "(2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" . "(6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "(6R,7R)-7-[[(2Z)-2-ethoxyimino-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" . "(6R,7R)-3-(carbamoyloxymethyl)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide" . "1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid" . "(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione" . "(4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide" . "(2S)-2-[[(2R)-2-[[(3S)-3-amino-2-oxopentanoyl]amino]-4-methylpentanoyl]-[(2S,6S)-2,6-diamino-3,7-dimethyl-5-oxooctanoyl]amino]-3-methylbutanoic acid" . "(4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid" . "4,5,6,7-tetrahydro-[1,2]thiazolo[5,4-c]pyridin-3-one" . "2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazine-6-carboxamide" . "(2S,5R,6R)-6-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" . "(2S)-6-[[[(4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carbonyl]amino]methylamino]-2-aminohexanoic acid" . "2-(2-methyl-5-nitroimidazol-1-yl)ethanol" . "7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid" . "7-[(3aS,6aR)-6a-amino-3a-fluoro-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid" . "9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoic acid" . "1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione" . "(4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide" . "4-amino-1,2,5-selenadiazole-3-carboxamide" . "(2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" . "2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine" . "4-amino-N-methyl-1,2,5-selenadiazole-3-carboxamide" . "(2S,5R,6S)-6-[(2-carboxy-2-thiophen-3-ylacetyl)amino]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" . "(4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide" . "(2S,5R,6R)-6-[[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" . "(4S,4aS,5aR,12aR)-9-[[2-(tert-butylamino)acetyl]amino]-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide" . "(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol" . "5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine" . "(2R)-2-acetamido-3-sulfanylpropanoic acid" . "4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide" . "4-(4-aminophenyl)sulfonylaniline" . "(6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluoro-N-(2H-indazol-3-ylmethyl)benzamide" . "10-[4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methyl-2-[2-methyl-3-(3-methyloxiran-2-yl)oxiran-2-yl]naphtho[2,3-h]chromene-4,7,12-trione" . "(6R,7S)-7-[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "(6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "2-[4-[5-(3-chlorophenoxy)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]-2,6-dimethylphenoxy]acetic acid" . "5-(hydroxymethyl)furan-2-carbaldehyde" . "4-ethyl-2-[[(5-ethyl-2-hydroxyphenyl)methyl-methylamino]methyl]phenol" . "2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2S,3R,4R,5S)-4-carbamoyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-oxobutanoyl]amino]ethyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide" . "(2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide" . "(2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" . "(2S,5R,6R)-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" . "(2R,3S,4R,5R,6S)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-5-[(1S)-1-aminoethyl]-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxy-2-[(1R)-1-hydroxyethyl]oxane-3,4-diol" . "4-(3-((7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-4-morpholinophenyl)-2-(thiazol-2-yl)but-3-yn-2-ol" . "[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid" . "(2R)-2-[(2R,5S,6R)-6-[(3E,5E)-6-[(1S,3aR,4S,5S,7aS)-1-ethyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyloxan-2-yl]propanoic acid" . "N-[[(5S)-3-(4-methylsulfinylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide" . "(3R,4S,5R,6R)-6-(hydroxymethyl)piperidine-2,3,4,5-tetrol" . "ethyl 3-bromo-2-oxopropanoate" . "(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one" . "N-[[3-(4-acetylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide" . "3,4,5-trichloro-2-(2,3-dichloropyrrol-1-yl)phenol" . "(5R,6S)-3-(aminomethyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid" . "methyl 2-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)-2-[10-[4-(dimethylamino)-5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,6-dimethyloxan-2-yl]-2-(2,3-dimethyloxiran-2-yl)-11-hydroxy-4,7,12-trioxonaphtho[2,3-h]chromen-5-yl]-2-hydroxyacetate" . "2-[(2-amino-3-methylbutanoyl)amino]-2-[4-(diaminomethylideneamino)-1-azabicyclo[3.1.0]hexan-2-yl]acetic acid" . "iron(3+);methyl 6-[3-[5-[[4-[5-[[4-[5-[acetyl(oxido)amino]pentylamino]-4-oxobutanoyl]-oxidoamino]pentylamino]-4-oxobutanoyl]-oxidoamino]pentylcarbamoyl]-5-hydroxyanilino]-4-amino-5-hydroxy-5-(hydroxymethyl)-6-methyl-2-oxopiperidine-3-carboximidate" . "(3S)-3,6-diamino-N-[(2S,3R)-2-[(1R,2S,3S,4S,5S,6R)-2-amino-3,6-dihydroxy-4-methoxy-5-(methylamino)cyclohexyl]oxy-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]hexanamide" . "2-amino-N-[1-[[6-(2-amino-1-hydroxy-2-oxoethyl)-15-butan-2-yl-18-[3-(diaminomethylideneamino)propyl]-12-(1-hydroxyethyl)-3-(hydroxymethyl)-24-(1-hydroxy-2-methylpropyl)-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,26-nonaoxo-28-phenyl-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-27-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide" . "N'-cyclopropyl-7-[(4-propan-2-ylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine" . "(2R)-N-[(2R,3S)-1-[[(2S,3S)-1-[[(2S)-1-[[(3S,6S,9S,12R,13S)-6-[[(5S)-2-amino-4,5-dihydro-1H-imidazol-5-yl]methyl]-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-2-[[(2S)-3-hydroxy-2-[[(2S,3S)-3-methyl-2-[[(2R)-2-(methylamino)-3-phenylpropanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanediamide" . "7-[(4-phenylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine" . "3-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-2-[[3-(1H-imidazol-5-yl)-2-(methylamino)propanoyl]amino]butanoic acid" . "(2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-7-prop-2-enyl-1-oxa-7-azacyclopentadecan-15-one" . "(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R,15S)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-15-(2-imidazo[4,5-b]pyridin-3-ylethylsulfanyl)-9-methoxy-1,5,7,9,11,13-hexamethyl-3,17-dioxabicyclo[12.3.0]heptadecane-4,12,16-trione" . "7-[(7S)-7-amino-7-methyl-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid" . "bis(3-chloro-4-methylphenyl)boranyl 3-hydroxypyridine-2-carboxylate" . "1-[(3-amino-2-methylphenyl)methyl]-4-(2-thiophen-2-ylethoxy)pyridin-2-one" . "6-[(5-ethoxy-2-methoxyanilino)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine" . "6-[(5-ethoxy-2-propoxyanilino)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine" . "(2S)-2-[[(5S,8R)-5-[[(2S,3R)-1-(2-amino-3-hydroxypropanoyl)-3-hydroxypyrrolidine-2-carbonyl]amino]-13,15-dihydroxy-16-methyl-2,6-dioxo3-oxa-10-thia-7-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-8-carbonyl]amino]propanoic acid" . "4-[[41-(4-aminobutyl)-9,23-bis[(2-amino-4,5-dihydro-1H-imidazol-4-yl)methyl]-26-[3-(carbamoylamino)propyl]-14-(3,5-dichloro-4-hydroxyphenyl)-29,38-bis(1-hydroxyethyl)-17-(hydroxymethyl)-3,20,32,35,43-pentakis(4-hydroxyphenyl)-6,47-dimethyl-2,5,8,11,13,16,19,22,25,28,31,34,37,40,42,45-hexadecaoxo-1-oxa-4,7,10,12,15,18,21,24,27,30,33,36,39,41,44-pentadecazacycloheptatetracont-46-yl]amino]-3-[[(2E,4E)-10-methyldodeca-2,4-dienoyl]amino]-4-oxobutanoic acid" . "5-[3-[[(4R)-6,8-dibromo-3,4-dihydro-2H-chromen-4-yl]amino]propylamino]-4H-thieno[3,2-b]pyridin-7-one" . "1-benzofuran-2,3-diol" . "(5R,6E)-6-[(1-methyltriazol-4-yl)methylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid" . "2-[2,4-dihydroxy-6-[1-[2-[5-[5-(6-hydroxy-4-methoxy-3,5,6-trimethyloxan-2-yl)oxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-2,6-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-5-(5-methoxy-6-methyloxan-2-yl)oxy-3,5-dimethyloxan-2-yl]propanoic acid" . "(5R,6Z)-6-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid" . "1-methyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]-4-[[4-[(E)-2-quinolin-3-ylethenyl]benzoyl]amino]pyrrole-2-carboxamide" . "7-[4-[[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-4-phosphonooxypiperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid" . "(5R)-3-[3-fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one" . "4-(4-ethyl-5-fluoro-2-hydroxyphenoxy)-3-fluorobenzamide" . "N-[(1S,2R,3R,4S,5S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-2,5-dihydroxy-6-methoxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide" . "2-hydroxy-4-[7-hydroxy-2-[(4S,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5S)-5-[(1S)-1-hydroxypropyl]-3,5-dimethyloxolan-2-yl]-3-methyloxolan-2-yl]-4-methoxy-5-methyloxolan-2-yl]-2,3,8-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-2-methylbutanoic acid" . "(2S,3R)-2-[[(2S)-4-amino-2-[(2-chlorophenyl)carbamoylamino]butanoyl]amino]-N-[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15S,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]-3-hydroxybutanamide" . "[(3S)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxopyridin-2-yl)methoxyimino]acetyl]amino]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate" . "1,3,8-trihydroxy-6-(hydroxymethyl)anthracene-9,10-dione" . "7-fluoro-8-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-4-oxopyrido[6,5-b]quinoline-3-carboxylic acid" . "N-[[(5S)-3-[3-fluoro-4-[4-[(5-nitrofuran-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide" . "2-[[1-[[1-[[(Z)-[5-(2,4-dioxo-1,3-diazinan-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-3-[(6-hydroxy1,2,3,4-tetrahydroisoquinoline-3-carbonyl)-methylamino]-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid" . "(2R)-2-[[2-(9H-fluoren-9-yl)acetyl]amino]-3-(6-fluoro-1H-indol-2-yl)propanoic acid" . "2-[[1-[[1-[[(Z)-[5-(2,4-dioxo-1,3-diazinan-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-3-[(6-hydroxy-1-methyl1,2,3,4-tetrahydroisoquinoline-3-carbonyl)-methylamino]-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid" . "(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2R,3S)-3-amino-6-(1-aminoethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol" . "(3Z,5S)-3-[[(1S,4aR,6S,8R,8aR)-2-[(2S,3S)-2,3-dimethyloxiran-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-hydroxymethylidene]-1-methyl-5-propan-2-ylpyrrolidine-2,4-dione" . "(3Z)-3-[(2E,4E,6R)-6-[(1R,3R,4S,5R)-1,4-dimethylspiro[2,9-dioxabicyclo[3.3.1]non-6-ene-8,2'-oxirane]-3-yl]-1-hydroxy-4-methylhepta-2,4-dienylidene]pyrrolidine-2,4-dione" . "(2S)-N-[(5aR,6aS,7S,10aR)-9-carbamoyl-7-(dimethylamino)-4-fluoro-1,10,10a,12-tetrahydroxy-8,11-dioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]-1-methylpyrrolidine-2-carboxamide" . "(2R)-2-amino-4-[4-[(E)-C-[[(3S)-1-[(R)-carboxy-(3-chloro-4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]carbamoyl]-N-hydroxycarbonimidoyl]phenoxy]butanoic acid" . "3-[(4S,7S,8S,11R,14S,17E,20S,26S)-7-[[(3S,6S,7S,10R,13S,28S)-6-[[(2S)-2-[[(2S,3S,6R)-6-amino-2-methyl-5-oxo-1,4-thiazepane-3-carbonyl]amino]-3-phenylpropanoyl]amino]-7-methyl-3-(2-methylpropyl)-2,5,12,15,18,21,24,27-octaoxo-13-propan-2-yl-8-thia-1,4,11,14,17,20,23,26-octazabicyclo[26.3.0]hentriacontane-10-carbonyl]amino]-14-[(2R)-butan-2-yl]-8,20-dimethyl-23-methylidene-4-(2-methylpropyl)-3,6,12,15,21,24,27-heptaoxo-9,19-dithia-2,5,13,16,22,25,28-heptazabicyclo[9.9.8]octacos-17-en-26-yl]propanoic acid" . "(2-formyl-4,5,6-trihydroxycyclohex-2-en-1-yl) 2-methylpropanoate" . "[(2S,3S,4S,5S,6R)-2-[(3Z,5S)-3-[[(2S,4aR,5R,8aS)-5-[(2R,4R,5R,6R)-4-[(1S)-1-[(3,4-dichloro-1H-pyrrole-2-carbonyl)amino]ethyl]-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-methyl-8-methylidene-2,4a,5,6,7,8a-hexahydro-1H-naphthalen-1-yl]-hydroxymethylidene]-2,4-dioxo-5-propan-2-ylpyrrolidin-1-yl]-5-carbamoyloxy-3-methoxy-6-methyloxan-4-yl] acetate" . "7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxoquinoline-3-carboxylic acid" . "(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[[(2S,3R)-3-amino-6-(1-aminoethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol" . "(5S)-5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-methylimino-1,3-oxazolidin-4-one" . "2-(4-acetamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxooxolane-2-carboxylic acid" . "5-chloro-2-fluoro-4-[(1S,2R)-2-(2-methylpyrazol-3-yl)cyclohexyl]oxy-N-pyrimidin-4-ylbenzenesulfonamide" . "1-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-phenylurea" . "(10S)-9-(cyclopropylmethyl)-3-(2,4-dichlorophenyl)-10-ethyl-6-methyl-1,2,5,9-tetrazatricyclo[6.3.1.0^4,12]dodeca-2,4,6,8(12)-tetraene" . "methyl (4S,5E,6S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate" . "methyl N-[(E)-5-[4-hydroxy-5-[(2E,4E,9E,12E)-8-hydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraenoyl]-6-oxopyran-2-yl]hex-1-enyl]carbamate" . "2-[(3,4-dichlorophenyl)methylamino]-7-(2-morpholin-4-ylethyl)-1H-purin-6-one" . "(5R)-3-ethylsulfanyl-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid" . "(7S,9S)-9-acetyl-6,9,11-trihydroxy-7-[[(1S,11S,12S)-4-(1-hydroxypropan-2-yl)-9-(2-hydroxypropyl)-7,12-dimethyl-3-oxo-5,8,10,13-tetraoxa-2-azatricyclo[9.4.0.02,6]pentadecan-14-yl]oxy]-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione" . "7-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-[3-(2-aminoethylsulfanylmethyl)pyridin-4-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "(3S,7R,7aR)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-cyclopentyloxyiminoacetyl]amino]-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid" . "7-[(4S)-4-amino-6-azaspiro[2.4]heptan-6-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid" . "7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid" . "7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid" . "(2R,4'R,6R,9E,11R,13E,15Z)-4',11-dihydroxy-2,4',9-trimethyl-1'-oxospiro[19-thia-3,20-diazabicyclo[15.2.1]icosa-1(20),9,13,15,17-pentaene-6,5'-dithiolane]-3',4,12-trione" . "(2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,8,10,12,14-heptamethyl-1-oxa-7-azacyclopentadecan-15-one" . "(2S)-N-(5-fluoro-1-hydroxypyridin-2-ylidene)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide" . "(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-5-yl)-2-[(S)-carboxy-(3,4-dihydroxyphenyl)methoxy]iminoacetyl]amino]-3-[(2-carboxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(azidomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-[[1-[2-(sulfoamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[(3S,5S)-5-[(R)-hydroxy-[(3R)-pyrrolidin-3-yl]methyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid" . "(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(5-methyltetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one" . "N-(cyclopropylmethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide" . "2,4-dioxo-N-(4-pyridin-4-ylphenyl)-1H-quinazoline-6-sulfonamide" . "3-[[1-(carboxymethyl)tetrazol-5-yl]sulfanylmethyl]-7-[[2-[(6,7-dihydroxy-4-oxochromene-3-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "N'-[2-(5-diethylaminopentan-2-ylamino)-6-methylpyrimidin-4-yl]-2-methylquinoline-4,6-diamine" . "(1S,2R,3R,6E,8S,9R,10S,12S,14E,16S)-12-hydroxy-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-9-[(2S,3R,4S,6R)-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione" . "2-(morpholin-4-ylmethyl)-5-[5-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpentoxy]pyran-4-one" . "[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-pyrrolidin-1-ylmethanone" . "4-N-(9-ethylcarbazol-3-yl)-2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine" . "[(4E,6E,12Z,14Z,16E)-7,19-dimethyl-2-[(3E)-3-methylhexa-3,5-dienyl]-20-methylidene-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl] dihydrogen phosphate" . "2-[[(E)-3-amino-3-oxoprop-1-enyl]amino]-N-methoxy-2-oxoethanimine oxide" . "(2S)-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]butan-1-ol" . "(2R)-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]butan-1-ol" . "6-[3-(methylamino)azetidin-1-yl]-2-(2-methylpropyl)pyrimidin-4-amine" . "N-[(E)-(4-nitrophenyl)methylideneamino]naphthalene-2-carboxamide" . "N-[3-(1,1-difluoroethyl)phenyl]-1-(4-methoxyphenyl)-3-methyl-5-oxo-4H-pyrazole-4-carboxamide" . "1-(1-adamantyl)-3-(2,3-dithiophen-2-ylquinoxalin-6-yl)urea" . "3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol" . "N-[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1H-indole-2-carboxamide" . "6-bromo-2-N-phenylquinazoline-2,4-diamine" . "7-methoxy-6-(2-methylpropane-2-sulfonyl)-N-(4-methyl-1H-pyrazol-3-yl)quinolin-4-amine" . "N-(trans-4-Hydroxycyclohexyl)-6-phenylhexanamide" . "5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide" . "9-[2-(1H-indol-3-yl)ethyl]-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione" . "3-(trans-3-(5-(5-Ethoxypyridin-2-yl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)cyclobutyl)picolinamide" . "1-(2-Naphthoyl)-N-(3-chlorophenyl)piperidine-4-carboxamide" . "N-(3-((5-iodo-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)oxy)phenyl)propionamide" . "(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine" . "(2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5S,7R,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoic acid" . "ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate" . "(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide" . "(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylic acid" . "2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol" . "2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol" . "-(2,4-difluorophenoxy)-N-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)indazole-6-carboxamide" . "1-(5-tert-butyl-2-methylpyrazol-3-yl)-3-(4-pyridin-4-yloxyphenyl)urea" . "(3S)-3-(2,3-difluorophenyl)-3-methoxypyrrolidine" . "(R)-1-(tert-Butyl)-6-((1-(4-chlorophenyl)ethyl)amino)-5-(4-fluorobenzyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one" . "[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)pyrrolo[2,3-c]pyridin-1-yl]methyl dihydrogen phosphate" . "(4R)-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one" . "3-[1-(1-adamantylmethyl)-5-methylpyrazol-4-yl]-6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-2-carboxylic acid" . "5-[[(5-chloro-2-methylpyridin-3-yl)amino]methyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide" . "(1R,3S,4aS,5R,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-triethylsilyloxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalene-1-carboxylic acid" . "(1R,4S)-3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid" . "2-(4-chloro-2,6-dimethylphenoxy)-N-propan-2-ylacetamide" . "(4-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone" . "5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol" . "4-[2-[3-(diethylaminomethyl)-2-methoxyphenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-propan-2-ylbenzoic acid" . "5-ethylsulfonyl-2-naphthalen-2-yl-1,3-benzoxazole" . "methyl ethyl({2-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl})phosphinate" . "2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-11-methyl-5-(2,2,2-trifluoroethyl)pyrimido[4,5-b][1,4]benzodiazepin-6-one" . "(R)-N-(1-(1-(1H-Indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-methyl-1-oxobutan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide" . "N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine" . "N-[2-[(2R)-1,1-dimethylpiperidin-1-ium-2-yl]ethyl]-N-(2-methylphenyl)-2,3-dihydro-1H-inden-2-amine" . "(E)-3-[4-[[1-adamantylmethyl(methyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide" . "N-[4-chloro-2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide" . "1-[(2S)-4-[2-(4-acetylpiperazin-1-yl)ethanesulfonyl]-2-[(pyrrolidin-1-yl)methyl]piperazin-1-yl]-2-(2,4,5-trichlorophenoxy)ethan-1-one" . "2-[(1-benzylindazol-3-yl)methoxy]-2-methylpropanoic acid" . "1-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide" . "(2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" . "(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" . "methyl N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-1-phenylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate" . "2-(4-((2-Chloro-4-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)benzyl)amino)phenyl)acetic acid" . "2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(2S)-3-methyl-1-propan-2-ylsulfonylbutan-2-yl]-2-oxopiperidin-3-yl]acetic acid" . "5-fluoro-2-oxo-1H-pyrazine-3-carboxamide" . "2-[2,6-dimethyl-4-[(E)-3-(4-methylsulfanylphenyl)-3-oxoprop-1-enyl]phenoxy]-2-methylpropanoic acid" . "N-[5-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide" . "2-[4-[(2R)-2-ethoxy-3-[4-(trifluoromethyl)phenoxy]propyl]sulfanyl-2-methylphenoxy]acetic acid" . "2-[5-methyl-6-(2-methylpyridin-4-yl)pyridin-3-yl]-N-(5-pyrazin-2-ylpyridin-2-yl)acetamide" . "6-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]-2H-benzotriazole-5-carboxamide" . "(R)-(1-(4-((3-(Benzyloxy)phenoxy)methyl)benzyl)pyrrolidin-2-yl)methanol" . "(R)-(1-(4-((3-((4-Chlorobenzyl)oxy)phenoxy)methyl)benzyl)pyrrolidin-2-yl)methanol" . "(R)-(1-(4-((3-((4-Fluorobenzyl)thio)phenoxy)methyl)benzyl)pyrrolidin-2-yl)methanol" . "(R)-(1-(4-((3-((4-Chlorobenzyl)thio)phenoxy)methyl)benzyl)pyrrolidin-2-yl)methanol" . "2,2-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide" . "(2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]methanone" . "1-[(2R)-1-methylsulfonylpropan-2-yl]-4-(trifluoromethyl)indole-5-carbonitrile" . "[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-1-cyclopent-2-enyl]methanol" . "3-[2-amino-6-[1-[[6-(2-hydroxypropan-2-yl)pyridin-2-yl]methyl]triazol-4-yl]pyrimidin-4-yl]-2-methylbenzonitrile" . "2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenylpyridazin-3-yl)acetamide" . "5-chloro-2-methoxy-N-[4-({1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}oxy)phenyl]benzene-1-sulfonamide" . "(E)-4-(8-hydroxy-2,2-dimethyl-4,7-dioxo-1,2,5,7-tetrahydro-1,5-methanofuro[2,3-d]xanthen-3a(4H)-yl)-2-methylbut-2-en-1-yl nicotinate" . "N-[(1S)-1-[3-chloro-5-fluoro-2-[[2-methyl-4-(2-methyl-1,2,4-triazol-3-yl)quinolin-8-yl]oxymethyl]phenyl]ethyl]-2-(difluoromethoxy)acetamide" . "7-nitro-5-phenyl-1-(pyrrolidin-1-ylmethyl)-3H-1,4-benzodiazepin-2-one" . "2-(4-hydroxypiperidin-1-yl)-N-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]pyridin-3-yl]acetamide" . "(5-chloropyridin-3-yl) 1H-indole-4-carboxylate" . "(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide" . "2-[(Z)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid" . "2-[(E)-{2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-methylhydrazin-1-ylidene}methyl]benzoic acid" . "(E)-N-ethyl-N-(2-methylphenyl)but-2-enamide" . "(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-methoxyphenyl)methyl]-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentazacycloicosane-3-carbonyl]pyrrolidine-2-carboxamide" . "(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol" . "2-chloro-N-(1-{5-chloro-4'-sulfamoyl-[1,1'-biphenyl]-3-yl}ethyl)acetamide" . "benzyl N-[(2S,3R)-1-[[(2S)-3-cyclohexyl-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate" . "8-[3-(dimethylamino)propoxy]-5-hydroxy-2-phenyl-7-phenylmethoxychromen-4-one" . "N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide" . "(2S)-2-amino-N-[(1R,2R)-1-cyano-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]butanamide" . "2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]ethyl]-N-[(3-fluoropyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide" . "4-[[3-[3-[(cyclopropylamino)methyl]azetidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one" . "4-chloro-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide" . "8-[[4-[[4-[[4-[[4-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid" . "4-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzoic acid" . "3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide" . "1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylbutane-1,4-dione" . "6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperidin-4-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one" . "3-methyl-5-[6-methyl-5-[2-(1-methylpyrazol-4-yl)pyridin-4-yl]oxypyridin-2-yl]-2-(propan-2-ylamino)pyrimidin-4-one" . "2-chloro-6-methyl-N'-[4-methyl-3-(2-quinolin-3-ylethynyl)benzoyl]benzohydrazide" . "(1S,2S)-2-[[7-chloro-4-methoxy-6-[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol" . "4-[4-amino-1-(2-prop-2-enoyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-N-pyridin-2-ylbenzamide" . "(2S)-2-[[(2R)-2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1λ6,2,5-benzothiadiazepin-8-yl)oxy]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]butanoic acid" . "2-(3-fluoro-5-pyridin-2-yloxyphenyl)-3H-1,2-benzothiazole 1,1-dioxide" . "E-1-(6-(2-(3-(2-acetamidoethyl)-5-methoxy-1H-pyrrolo[3,2-b]pyridin-1-yl)ethylamino)-6-oxohexyl)-2-((E)-3-(1-ethyl-3,3-dimethyl-5-sulfo-3H-indolium-2-yl)allylidene)-3,3-dimethylindoline-5-sulfonate" . "3-[4-[(2R)-2-aminopropoxy]phenyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine" . "5-fluoro-1-[[4-fluoro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione" . "5-[2-(1-amino-2-methylpropan-2-yl)-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol" . "2-(5-bromopyridin-3-yl)sulfanyl-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)triazol-1-yl]oxane-3,5-diol" . "1-tert-butyl-N-[8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]triazole-4-carboxamide" . "2-[(1S)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxopyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3H-isoindol-1-one" . "(3S)-3-amino-4-[5-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenyl]tetrazol-2-yl]butanoic acid" . "2-(butylsulfonylamino)-N-[(1R)-1-(6-methoxypyridin-3-yl)propyl]benzamide" . "[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-phenylphosphoryl]benzene" . "3-(1H-indol-3-ylmethyl)-1H-indole" . "2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione" . "6-[2-(4-chlorophenyl)ethylamino]-1H-pyrimidine-2,4-dione" . "2-hexylsulfanyl-6-hydroxy-3H-pyrimidin-4-one" . "4-hydroxy-6-nonyl-1H-pyridin-2-one" . "5-chloro-1-(phenylmethyl)-2-piperazin-1-ylbenzimidazole" . "[(8R,9S,10R,13S,14S,17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] propanoate" . "4-butylcyclohexyl N-[(1S)-3-methyl-1-{[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl}butyl]carbamate" . "(4,4-difluorocyclohexyl)methyl N-[(1S)-3-methyl-1-{[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl}butyl]carbamate" . "2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline" . "N-cyclopropyl-3-methyl-4-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-1H-pyrrole-2-carboxamide" . "4-((3-(4-(Aminomethyl)phenyl)-1-(4-hydroxybutyl)ureido)methyl)-N-hydroxy-benzamide" . "2-amino-6-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile" . "2-({[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-[4-(2-hydroxyethoxy)phenyl]-6-(pyrrolidin-1-yl)pyridine-3,5-dicarbonitrile" . "propan-2-yl 4-(furan-2-yl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate" . "3-ethyl-6-(4-hydroxypiperidine-1-carbonyl)-5-methyl-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-dione" . "5-[3-(5-sulfanylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione" . "dimethyl-bis[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium" . "2-(3,4-dichlorophenoxy)-N-[1-[(3,4-dichlorophenyl)methyl]pyridin-1-ium-3-yl]acetamide" . "11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxamide" . "(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide" . "6,7-dichloro-4-{2-[(2S)-4-[2-(morpholin-4-yl)ethanesulfonyl]-2-[(pyrrolidin-1-yl)methyl]piperazin-1-yl]-2-oxoethyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one" . "1-(3,5-dichlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide" . "[(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate" . "4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one" . "2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol" . "[(3S)-3-[(2S)-2-[(4-methoxy-1H-indol-2-yl)formamido]-4-methylpentanamido]-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butoxy]phosphonic acid" . "(2S)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-[(4-methoxy-1H-indol-2-yl)formamido]-4-methylpentanamide" . "2-cyclohexyl-2-phenyl-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]acetamide" . "(3R,4S,5R,6R)-6-(hydroxymethyl)-4-(8-quinolin-6-yloxyoctoxy)oxane-2,3,5-triol" . "(1R,2S,5S)-6,6-dimethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-{2-[4-(trifluoromethoxy)phenoxy]acetyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide" . "benzyl N-[(2S)-1-[(4-fluoro-3-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate" . "(2R)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)carbamoylamino]-N-[(1-pyridin-3-ylcyclohexyl)methyl]propanamide" . "7-methoxy-3-methyl-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-1H-quinolin-4-one" . "6-[[(1S)-1-phenylethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione" . "methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate" . "N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide" . "methyl N-[(2S)-1-[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate" . "methyl N-[(2S)-1-[(2S)-2-[[4-[(2S,5S)-1-(4-tert-butylphenyl)-5-[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]phenyl]pyrrolidin-2-yl]phenyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate" . "6-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile" . "2-(4-chloro-2-methylphenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide" . "7-fluoro-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)pyridin-3-yl]-1-propan-2-ylimidazo[4,5-c]quinolin-2-one" . "1-(4-fluorophenyl)-4-{[4-(3-fluorophenyl)-1-(2-methoxy-4-nitrobenzenesulfonyl)pyrrolidin-3-yl]methyl}piperazine" . "5-tert-butyl-1-(2,6-difluorobenzoyl)-1'-(3,3,3-trifluoropropyl)-1,2-dihydrospiro[indole-3,4'-piperidine]" . "1-[2-[(1R,3S,5R)-3-[(6-bromopyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide" . "(4R)-5-[(6-bromo-3-methyl-2-pyrrolidin-1-ylquinoline-4-carbonyl)amino]-4-(2-chlorophenyl)pentanoic acid" . "6'-chloro-N-methyl-5'-(phenylsulfonamido)-[3,3'-bipyridine]-5-carboxamide" . "5-[[4-[2-(5-ethylpyridin-2-yl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione" . "(4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one" . "N-[(3R)-4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide" . "(2S,3R)-3-hydroxy-2-[(4R)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide" . "3-[2-(dimethylamino)ethyl]-1H-indol-4-ol" . "2-[(Z)-[(E)-3-[1-(2-nitrophenyl)pyrrol-2-yl]prop-2-enylidene]amino]guanidine" . "6-(4-tert-Butylphenyl)-4-(2-hydroxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile" . "4-[3-(6-phenylpyridin-3-yl)-5-propan-2-yl-1,2,4-triazol-4-yl]-2,1,3-benzoxadiazole" . "N-(1-methylpiperidin-4-yl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide" . "(E)-2-cyano-3-phenylprop-2-enoic acid" . "2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid" . "(2E,4E)-2-cyano-5-phenylpenta-2,4-dienoic acid" . "(E)-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid" . "[3-(dimethylamino)azetidin-1-yl]-[(6S)-2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone" . "[(1R,2S,4R)-4-[[5-[4-[(1R)-7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate" . "(1R,2R)-2-[(2S,4E,6Z,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid" . "5-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile" . "5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide" . "4-butylcyclohexane-1-carboxylic acid" . "4-[4-[5-(5-chloro-6-propan-2-yloxypyridin-3-yl)-1,2,4-oxadiazol-3-yl]indol-1-yl]butanoic acid" . "(2R)-2-(diethylamino)-2-(2,3-dimethyl-1-benzofuran-7-yl)ethan-1-ol" . "(2R)-2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethan-1-ol" . "2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid" . "5-chloro-2-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butylsulfamoyl]benzoic acid" . "[4-[1-chloro-2-(methylamino)ethyl]phenyl] acetate" . "4-[(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino]-2,6-bis[(dimethylamino)methyl]phenol" . "(E)-N1-(6-Chloro-2-(4-(trifluoromethyl)styryl)quinolin-4-yl)-N2,N2-dimethylethane-1,2-diamine" . "2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-2-yl)acetamide" . "(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]-4-methyl-N-[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]pentanamide" . "(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-3-[3-[(7-chloroquinolin-4-yl)amino]propoxy]-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one" . "1,10-phenanthroline-5,6-dione" . "(1R,2S)-2-[(7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid" . "[4-[(2S)-2-[[(2S)-2-(methoxycarbonylamino)-3-phenylpropanoyl]amino]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]phenyl]sulfamic acid" . "2-[6-[[5-chloro-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide" . "2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-N-methylbenzamide" . "N4-cyclopropyl-N2-(3,4-dimethoxyphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine" . "2-[3-(aminomethyl)phenyl]-N-[5-[(R)-(3-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide" . "(2R,4R,5S,6S)-2-[3-[(2S,3S,4R,6S)-6-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E)-3-hydroxy-2-(octadecanoylamino)octadec-4-enoxy]oxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-amino-6-carboxy-4-hydroxyoxan-2-yl]-2,3-dihydroxypropoxy]-5-amino-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid" . "1-(4-(2-((1-(3,4-difluorophenyl)-1H-pyrazol-3-yl)methoxy)ethyl)piperazin-1-yl)ethanone" . "6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one" . "3-phenyl-1H,2H,3H,8H-pyrano[3,2-f]chromen-1-one" . "5-hydroxy-2-phenyl-2H,3H,4H,8H-pyrano[2,3-f]chromen-4-one" . "4-amino-N-(2-phenylpyrazol-3-yl)benzenesulfonamide" . "12-(1H-imidazol-2-yl)dodecan-1-ol" . "hexadecyl 2-(trimethylazaniumyl)ethyl phosphate" . "(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl 4-{[5-methyl-3-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}piperidine-1-carboxylate" . "N-[(1S,2S)-2-phenylcyclopentyl]-1-azacyclotridecen-2-amine" . "2-acetylbenzo[f][1]benzofuran-4,9-dione" . "4,4,4-trifluoro-N-[(2S)-1-[[(7S)-5-(2-hydroxyethyl)-6-oxo-7H-pyrido[2,3-d][3]benzazepin-7-yl]amino]-1-oxopropan-2-yl]butanamide" . "3-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]propanoic acid" . "ethyl 2-[2-methoxy-4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetate" . "tert-butyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate" . "4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-pyridin-4-ylpiperidine-4-carboxylic acid" . "(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxyphenyl]propanoic acid" . "2-[(2S)-2-amino-3-{4-[2-(18F)fluoroethoxy]phenyl}-N-methylpropanamido]acetic acid" . "2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid" . "5-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole" . "N'-(4-butyl-2-methylphenyl)-N-hydroxymethanimidamide" . "8-(benzotriazol-1-ylamino)octanoic acid" . "1,4-diazabicyclo[3.2.2]nonan-4-yl-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanone" . "3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine" . "3-methoxy-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenol" . "(E)-2-((1-Ethyl-3-methyl-1H-pyrazole-5-carbonyl)imino)-1-((E)-4-((E)-2-((1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)imino)-7-methoxy-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)but-2-en-1-yl)-7-(3-morpholinopropoxy)-2,3-dihydro-1H-benzo[d]imidazole-5-carboxamide" . "(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhepta-4,6-dienyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone" . "5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole" . "N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]-2-phenoxypyrimidine-5-carboxamide" . "1-[(E)-4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea" . "2-thiophen-2-ylethyl (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate" . "2-[2-(2,6-dichlorophenyl)ethyl]-4-[(6-fluoro-1H-indol-2-yl)methyl]-5H-1,3-thiazole-4-carboxylic acid" . "(2R)-3-(6-fluoro-1H-benzimidazol-2-yl)-2-(naphthalene-2-carbonylamino)propanoic acid" . "ethyl (2S)-5-(carbamoylamino)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[(2-chloroacetyl)-methylamino]-3-phenylpropanoyl]piperidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanoate" . "(2S)-2-amino-2-[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]acetic acid" . "[(2S)-2-[(2S)-butan-2-yl]-4-(5-chloro-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone" . "(S)-2-amino-3-(4-(5-(4′-hydroxy-6-methoxy-[1,1′-biphenyl]-3-yl)-1,2,4-oxadiazol-3-yl)phenyl)propanoic acid" . "(2S)-2-amino-3-[4-[2-amino-6-[2,2,2-trifluoro-1-[4-(3-fluorophenyl)phenyl]ethoxy]pyrimidin-4-yl]phenyl]propanoic acid" . "(1S,3aR,6aS)-2-(2-(2,4-dichlorophenoxy)acetyl)-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide" . "N-[(4-chloro-3-{5-oxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,2,4-triazol-3-yl}phenyl)methyl]-2,2-dimethylpropanamide" . "3-(5-Fluoro-6-iodo-1-methyl-1H-indol-3-yl)-4-(7-methoxybenzofuran-3-yl)pyrrole-2,5-dione" . "3-amino-N-(naphthalen-1-yl)-5-(trifluoromethyl)benzamide" . "(3R)-3-(2,2,3,3,4,4,5,5-octadeuteriocyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile" . "3-(5-fluoro-1-benzofuran-3-yl)-4-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)pyrrole-2,5-dione" . "(2-chloro-4-phenoxyphenyl)-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone" . "5-[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]benzoyl]amino]pyridin-4-yl]oxy-6-(2-methoxyethoxy)-N-methylindole-1-carboxamide" . "N-[6-(2-hydroxypropan-2-yl)-2-(2-methylsulfonylethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide" . "2-[6-(6,7-dimethoxyquinolin-3-yl)pyridin-3-yl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide" . "(4-chlorophenyl) (1S)-6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate" . "[2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone" . "(5R)-4-(5-bromothiophene-2-carbonyl)-5-(3,5-dimethylphenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one" . "2-(4-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoroacetamide" . "3-(4-(5-Fluoro-2-((1-((trifluoromethyl)sulfonyl)-1H-indol-5-yl)amino)pyrimidin-4-yl)-1H-pyrazol-1-yl)propanenitrile" . "2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one" . "ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate" . "4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one" . "2,3-di(heptanoyloxy)propyl heptanoate" . "2-hexadecoxy-6-methyl-3,1-benzoxazin-4-one" . "2-(3-(3-Chloro-5-propoxyphenyl)-2-oxo-2H [1,3'-bipyridin]-5-yl)benzonitrile" . "(2S)-3-hydroxy-2-[[1-[[(2R)-2-[(1R)-2-methoxy-2-oxo-1-phenylethyl]piperidine-1-carbonyl]oxymethyl]pyridin-1-ium-3-carbonyl]amino]propanoate" . "1-amino-4-[4-(3,4-dimethylphenyl)sulfanylanilino]-9,10-dioxoanthracene-2-sulfonic acid" . "3-nitro-2-(trifluoromethyl)-2H-chromene" . "4-[4-(1-methoxypiperidin-4-yl)phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid" . "2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide" . "N-[3-(azepan-1-yl)propyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide" . "(9S)-2-(2-chlorophenyl)-9-(4-hydroxyphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one" . "N-[(E)-[(7-ethyl-5-hydroxy-1H-indol-3-yl)methylidene]amino]-N'-[2-(4-methylphenyl)ethyl]guanidine" . "4-[2-[(3,4-dimethylphenyl)amino]-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide" . "(2S)-N-[(2R)-2-[3-(2-fluorophenyl)propanoylamino]propyl]-2,4-dihydroxy-3,3-dimethylbutanamide" . "(2S)-2-amino-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid" . "(2S,3S,4S)-3-[4-[3,4-bis(trifluoromethyl)phenyl]phenyl]-2-cyano-4-(hydroxymethyl)-N-propylazetidine-1-carboxamide" . "7-[(4-chlorophenyl)methyl-[2-(diethylamino)ethyl]amino]-2-oxochromene-3-carboximidamide" . "2-[4-(3,4-dimethoxyphenoxy)phenyl]-3H-benzimidazole-5-carboximidamide" . "4-fluoro-6-{[1-(5-fluoro-2-methylpyridin-4-yl)azetidin-3-yl]oxy}-1H-indazol-3-amine" . "(3E)-8-ethyl-3-(hydroxyimino)-5-phenyl-1H,2H,3H,6H,7H,8H,9H-pyrrolo[3,2-h]isoquinolin-2-one" . "(2S)-2-[(2-bromo-3-oxospiro[3.5]non-1-en-1-yl)amino]-3-[4-(2,7-naphthyridin-1-ylamino)phenyl]propanoic acid" . "1-[4-[[1-(4-fluorophenyl)pyrazol-4-yl]sulfonyl-methylamino]phenyl]-3-phenylurea" . "[(1R,3S)-1-amino-3-[(6S)-6-[2-(2-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol" . "[(1R,3S)-1-amino-3-[(6S)-6-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol" . "[(1R,3S)-1-amino-3-[(6S)-6-(5-methoxypentyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol" . "[(E,2S,3R)-2-azaniumyl-3-hydroxyicos-4-enyl] hydrogen phosphate" . "ethyl 17-methoxy-6-methyl-12-oxa-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate" . "(2S)-2-[(6Z,15Z)-20-hydroxyicosa-6,15-dienamido]butanedioate" . "2-[(2-ethoxyphenoxy)methyl]morpholine" . "(1R,2S,5S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-[(2S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide" . "(2S)-N-[(2S,4S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide" . "((R)-4-Phenyl-1-((R)-2-(pyrazine-2-carboxamido)pentanamido)butyl)boronic acid" . "3-methyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]-4-[1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl]-1H-pyrrole-2-carboxamide" . "5-[4-(1-aminoethenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,2-dihydroisoquinolin-1-one" . "(3R)-3-{[(1R,2S,5S)-3-[(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]formamido}-4-[(3R)-2-methylideneoxolan-3-yl]-2-oxobutanamide" . "N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine" . "3-[6-[4-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione" . "6-[4-({4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]piperazin-1-yl}methyl)piperidin-1-yl]-N-[(1r,4r)-4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyridazine-3-carboxamide" . "N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide" . "1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-[[(3R)-oxolan-3-yl]amino]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone" . "N-[(2S)-1-[[(3S)-1-(benzenesulfonyl)-5-phenylpentan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylpiperazine-1-carboxamide" . "5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide" . "(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-ylpyridin-3-yl)methanone" . "benzyl N-[(1S)-1-{[(1S)-1-{[(1S)-1-[N'-(2-carbamoylethyl)-N'-cyano-N-methylhydrazinecarbonyl]-2-phenylethyl]carbamoyl}-2,2-dimethylpropyl]carbamoyl}propyl]carbamate" . "N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide" . "(3R)-1-[[7-cyano-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-1,3-benzoxazol-5-yl]methyl]pyrrolidine-3-carboxylic acid" . "N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide" . "(3S)-3-cyclopropyl-3-[2-[[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]pyridin-4-yl]propanoic acid" . "(2S)-N-[(1S)-1-{[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}-2-phenylethyl]-2-(2-acetamidoacetamido)pentanediamide" . "(2E)-4-(dimethylamino)-1-[6-({5-methyl-4-[1-(propan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl}amino)-1,2,3,4-tetrahydroisoquinolin-2-yl]but-2-en-1-one" . "1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone" . "[(3R,5R,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate" . "4-[[6-[2-methylpropyl-[(4-methyl-1,3-thiazol-2-yl)sulfonyl]amino]-2,3-dihydro-1H-inden-5-yl]oxymethyl]benzoic acid" . "1-tert-butyl-3-[5-cyano-2-[3-[4-(difluoromethoxy)phenyl]phenoxy]phenyl]sulfonylurea" . "N-[4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]phenyl]-1-benzofuran-2-carboxamide" . "2-chloro-N-(2,2-dimethylpropyl)-N-(1,1-dioxothiolan-3-yl)acetamide" . "N-cyclobutyl-2-[3-(2-piperidin-1-ylethylsulfamoylamino)phenyl]imidazo[1,2-a]pyridine-6-carboxamide" . "N-Cyclobutyl-2-(3-((N-(2-(2-(2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)acetamido)ethoxy)ethoxy)ethyl)sulfamoyl)amino)phenyl)imidazo[1,2-a]pyridine-6-carboxamide" . "N-{3-fluoro-5-[({1-[(1R)-1-(naphthalen-1-yl)ethyl]piperidin-4-yl}formamido)methyl]phenyl}-4-methylpiperazine-1-carboxamide" . "4-amino-N-[1-(3-chloro-2-fluoroanilino)-6-methylisoquinolin-5-yl]thieno[3,2-d]pyrimidine-7-carboxamide" . "3-amino-6-methoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide" . "5-Acryloyl-2,3-dihydro-2-(4-fluorophenyl)-1,5-benzothiazepin-4(5H)-one" . "8-[(1S)-1-[8-(trifluoromethyl)-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]ethyl]-8-azabicyclo[3.2.1]octane-3-carboxylic acid" . "1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine" . "[(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]carbamate" . "[(1S)-1-[[2-[[(2R)-2-[[(2R)-2-acetamido-2-cyclopentylacetyl]amino]-3-methylbutanoyl]amino]acetyl]amino]ethyl]boronic acid" . "1-[(E)-4-[5-carbamoyl-7-[3-(dimethylamino)propoxy]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazole-5-carboxamide" . "[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-hexadecoxypropoxy)phosphinic acid" . "(E)-N-[2,2-dimethyl-3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propyl]-3-(5-methylfuran-2-yl)prop-2-enamide" . "1,4-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonylbutane-1,4-dione" . "ethyl (E)-3-[3-amino-2-cyano-1-[(E)-3-ethoxy-3-oxoprop-1-enyl]sulfanyl-3-oxoprop-1-enyl]sulfanylprop-2-enoate" . "2-(5-methylfuran-2-yl)-N-(4-methylphenyl)quinoline-4-carboxamide" . "4-tert-butyl-N-[6-(furan-2-ylmethylsulfanyl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide" . "5,6,7-trihydroxy-3-(3,4,5-trihydroxyphenyl)chromen-4-one" . "(2S)-2-[[(2R)-2-(hexanoylamino)-3-methylbutanoyl]amino]-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]hexanamide" . "6-methyl-5-N-[3-(7H-purin-6-yl)pyridin-2-yl]-1-N-[3-(trifluoromethoxy)phenyl]isoquinoline-1,5-diamine" . "5-[[4-(2-carboxyethylcarbamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid" . "(1R,21S,24S)-21-tert-butyl-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-16,16-dimethyl-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]heptacosa-6(11),7,9-triene-24-carboxamide" . "7-chloro-5-(2-chlorophenyl)-1,5-dihydro-4,1-benzothiazepin-2-one" . "narlaprevir" . "(Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide" . "3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-propoxybenzenesulfonamide" . "5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-hydroxybenzoic acid" . "2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid" . "3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylic acid" . "1-(2,2-diphenyloxolan-3-yl)-N,N-dimethylmethanamine" . "8-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]piperazin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile" . "4-(2-Chloroacetamido)-N-(2,5-dimethoxyphenyl)-2-thioxo-3-(4-(trifluoromethyl)phenyl)-2,3-dihydrothiazole-5-carboxamide" . "(8R,9S,13S,14S,15R,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,15,16,17-tetrol" . "4-(6-((4-Ethynylpyrimidin-2-yl)Ethynyl)-1H-Benzo[d]Imidazol-1-yl)Pyrimidin-2-Amine" . "((1R,3s,5S)-Bicyclo[3.3.1]nonan-3-yl)methyl ((S)-4-Methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)pentan-2-yl)carbamate" . "N-[(1R,2S,5R)-5-(tert-butylamino)-2-[(3S)-2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]cyclohexyl]acetamide" . "N-[(1R,2S,5R)-5-[methyl(propan-2-yl)amino]-2-[(3S)-2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]cyclohexyl]acetamide" . "[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oct-7-ynoyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indole-5-carbonyl]phosphonic acid" . "4-[[1-[[2-cyano-3-(trifluoromethyl)phenyl]methyl]-5-methyl-2,4-dioxoquinazolin-3-yl]methyl]cyclohexane-1-carboxylic acid" . "ethyl (2S)-2-[[(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-3-(4-fluorophenyl)propanoate" . "6-(1-methylpyrazol-4-yl)-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,3-b]pyridine" . "(3S)-3-{[N-(4-Methoxy-1H-indole-2-carbonyl)-l-leucyl]amino}-2-oxo-4-[(3S)-2-oxopiperidin-3-yl]butyl 2,4,6-Trimethylpyridine-3-carboxylate" . "4-ethyl-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]piperazine-1-carboxamide" . "2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol" . "N-[(7R,8R)-8-[(2S,5S,8R,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-1,7,8,10,16,20,23,25,28,31-decamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-8-hydroxy-7-methyloctyl]acetamide" . "3-(cyanomethyl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile" . "5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione" . "5-[3-(3-chloro-5-{[4-(trifluoromethyl)-1,3-thiazol-5-yl]methoxy}phenyl)-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione" . "3-[4-[(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine" . "N-[(3S)-1-(dimethylcarbamoyl)pyrrolidin-3-yl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide" . "4-[(E)-2-[(4-chlorophenyl)methylsulfonyl]ethenyl]benzoic acid" . "[2-(3-fluorophenyl)-6-methoxy-4-oxo-1H-quinolin-5-yl] dihydrogen phosphate" . "4-(azetidin-1-yl)-7-methyl-5-[1-methyl-5-[5-(trifluoromethyl)pyridin-2-yl]pyrazol-4-yl]imidazo[5,1-f][1,2,4]triazine" . "3-cyclopentyloxy-N-(3,5-dichloropyridin-4-yl)-4-methoxybenzamide" . "5-amino-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-4-carboxamide" . "[2-(acetyloxymethyl)-4-(2-aminopurin-9-yl)butyl] acetate" . "benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxopentan-2-yl]amino]pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate" . "ethyl 4-[[4-methyl-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate" . "2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Computed by Lexi" . "[(2S)-2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[5-methoxy-2-(triazol-2-yl)phenyl]methanone" . "4-amino-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)-6-(3-morpholin-4-ylprop-1-ynyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide" . "benzyl (2S)-2-[[2-[[(2-amino-4-methylsulfanylbutyl)disulfanyl]methyl]-3-phenylpropanoyl]amino]-3-phenylpropanoate" . "benzyl (2S)-2-[[(2S)-2-[[[(2S)-2-amino-4-methylsulfanylbutyl]disulfanyl]methyl]-3-phenylpropanoyl]amino]propanoate" . "benzyl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate" . "N-[4-(1H-Imidazol-4-yl)phenyl]-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(3-chlorobenzyl)acetamide" . "2-[[4-(2,2-difluoropropoxy)pyrimidin-5-yl]methylamino]-4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]pyrimidine-5-carbonitrile" . "N-(4-Chloro-3-(trifluoromethyl)phenyl)-4-(6-(4-(4-methylpiperazin-1-yl)phenyl)thieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide" . "(2S,4R)-1-[(2S)-2-[[2-[3-[4-[3-[4-[[5-bromo-4-[3-[cyclobutanecarbonyl(methyl)amino]propylamino]pyrimidin-2-yl]amino]phenoxy]propoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide" . "N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl]amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]prop-2-enamide" . "N-cyclopropyl-4-[7-[(3-hydroxy-3-methylcyclobutyl)methylamino]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide" . "2-[4-(4-hydroxypiperidin-1-yl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one" . "(E)-2-[(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-4,4-dimethylpent-2-enenitrile" . "methyl N-[(2S)-1-[2-[[4-[1-(difluoromethyl)pyrazol-3-yl]-2,6-difluorophenyl]methyl]-2-[(2S,3S)-2-hydroxy-4-[4-[2-[2-[8-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyrimidin-5-yl]ethynyl]phenyl]-3-[[(2S)-4,4,4-trifluoro-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]butyl]hydrazinyl]-4,4,4-trifluoro-3,3-dimethyl-1-oxobutan-2-yl]carbamate" . "3-[2-(3,5-dimethoxyphenyl)ethynyl]-5-(methylamino)-1-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]pyrazole-4-carboxamide" . "2-[1-cyclopropylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile" . "1-[3-fluoro-4-[7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]phenyl]-3-(2,4,6-trifluorophenyl)urea" . "(6R)-7-[(3,4-difluorophenyl)methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one" . "4-fluoro-5-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1,3-benzothiazole-6-carboxamide" . "N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-(2-morpholin-4-ylethoxy)quinazolin-6-yl]prop-2-enamide" . "6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine" . "2-(2-chloro-4-iodoanilino)-3,4-difluorobenzoic acid" . "4-methyl-5-[[4-[[2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indole-2-carbonitrile" . "3-chloro-4-[(3,5-difluoropyridin-2-yl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methylpyridin-4-yl]-6-methylpyridin-2-one" . "(5S)-5-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one" . "2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide" . "5-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-[4-[(methylsulfonimidoyl)methyl]pyridin-2-yl]pyridin-2-amine" . "4-(4-fluoro-2-methoxyphenyl)-N-[3-[(methylsulfonimidoyl)methyl]phenyl]-1,3,5-triazin-2-amine" . "(2R)-2-amino-N-[3-(difluoromethoxy)-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide" . "1-((5-(Hydroxymethyl)-3-(4-(methylsulfonyl)phenyl)-6-propoxypyridin-2-yl)oxy)-2-methylpropan-2-ol" . "2-(2-chlorophenyl)-3-(4-chlorophenyl)-7-(2,2-difluoropropyl)-5,6-dihydropyrazolo[3,4-f][1,4]oxazepin-8-one" . "2-(5,6-dimethoxypyridin-3-yl)-1,1-dioxo-4-[(2,4,6-trifluorophenyl)methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one" . "(1R,3aS,5aR,5bR,9R,11aR)-9-((Cyclopropylcarbamoyl)oxy)-1-((S)-1-hydroxyethyl)-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylate" . "8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine" . "4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile" . "2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(cyclohexylmethyl)acetamide" . "benzyl (1R,2S,5S)-2-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate" . "2-[2-formyl-4-(1H-indazol-4-yl)phenoxy]-N,N-dimethylacetamide" . "(1S,2S)-1-N,1-N-dimethyl-2-N-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-phenylpropane-1,2-diamine" . "5-[2-[3-(diaminomethylidenecarbamoyl)-5-(trifluoromethyl)phenyl]ethynyl]-N-pyridin-2-yl-2-(trifluoromethyl)benzamide" . "4-methyl-1H-pyrazole" . "((2R,3R,4S)-4-Amino)-2-(6-(methylamino)-9H-purin-9-yl)tetrahydrothiophen-3-ol" . "(8aR)-N-[(4-fluorophenyl)methyl]-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide" . "4-[3-cyano-3-(1-methylcyclopropyl)-2-oxopyrrolidin-1-yl]-N-[[3-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methylpyridine-2-carboxamide" . "4-[[(2S)-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxopyridin-1-yl]butanoyl]amino]-2-fluorobenzamide" . "3-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide" . "N-cyclopropyl-3-fluoro-4-methyl-5-[3-[[1-[2-[2-(methylamino)ethoxy]phenyl]cyclopropyl]amino]-2-oxopyrazin-1-yl]benzamide" . "1-[6-[4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]prop-2-en-1-one" . "(2R)-N-[3-[5-fluoro-2-(2-fluoro-3-methylsulfonylanilino)pyrimidin-4-yl]-1H-indol-7-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide" . "3-amino-6-chloro-N-[[5-[2-[2-(dimethylphosphorylmethoxy)ethylamino]-2-oxoethoxy]-1,3-diethylbenzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide" . "3-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidine-5-carbonyl]benzonitrile" . "(2S)-2-(methylamino)-2-phenylcyclohexan-1-one" . "(2S,4R)-1-[(2S)-2-[[7-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]-7-oxoheptanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide" . "(8R,9S,10S)-10-[(dimethylamino)methyl]-N-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide" . "4-[5-[2-[(1R,5S,7aS)-1-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-yl]-4-(trifluoromethyl)phenyl]-6-methoxypyridin-3-yl]-3-methylbenzoic acid" . "3-[1-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]oxyisoquinolin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one" . "1-[(7R)-7-ethyl-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one" . "2-[3-[(3-chloro-4-methylphenyl)methoxy]azetidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one" . "(3R)-1-benzyl-N-{5-fluoro-2-methyl-4-[(1,3-thiazol-4-yl)methanesulfonyl]phenyl}-N-methylpyrrolidin-3-amine" . "2-[(2S,6R)-6-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid" . "(2S)-2-[[(2S,6R)-4-(carboxymethyl)-5-oxo-2-thiophen-2-yl-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid" . "5-ethyl-2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxyphenyl]-7-propyl-3H-pyrrolo[3,2-d]pyrimidin-4-one" . "5-O-[2-(4-benzhydrylpiperazin-1-yl)ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate" . "diethyl 2,6-dimethyl-4-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate" . "1,7-dipyridin-3-ylheptan-4-yl (2S)-1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate" . "4-(2-benzylphenoxy)-N-methylbutan-1-amine" . "3-[4-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid" . "3-O-methyl 5-O-(2-oxopropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate" . "N-(3-((4R,5R,6R)-2-Amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide" . "ethyl 4-hydroxy-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]amino]furan-3-carboxylate" . "1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)pyridin-3-yl]methyl]urea" . "(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol" . "N-[3-[(2S,5R)-6-amino-5-ethylsulfonyl-2-(fluoromethyl)-5-methyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide" . "(5S,6R)-5-(4-chlorophenyl)-6-cyclopropyl-3-[6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-yl]-5,6-dihydro-2H-1,2,4-oxadiazine" . "N-[(2S)-1-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propan-2-yl]-2,4,5-trifluorobenzamide" . "(2S)-3-[3-[(4-chlorophenyl)methyl]-2,6-dioxo-4-(4-pyridin-2-yloxyanilino)-1,3,5-triazin-1-yl]-2-methylpropanoic acid" . "2-[3-(3,5-dimethyltriazol-4-yl)-5-[(S)-oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol" . "1-[4-(difluoromethoxy)phenyl]-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone" . "5-[(azetidin-3-yl)amino]-2-methyl-N-[(1R)-1-(3-{5-[(pyrrolidin-1-yl)methyl]thiophen-2-yl}phenyl)ethyl]benzamide" . "5-Chloropyridin-3-yl 1-allyl-1H-indole-4-carboxylate" . "N,N'-(11-((2-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)- 3,3-dimethyl-1-oxobutan-2-yl)amino)-2-oxoethoxy)methyl)-11-methyl-3,6,9,13,16,19- hexaoxahenicosane-1,21-diyl)bis(2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2- f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamide)" . "N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxypyridin-3-yl)propan-2-yl]cyclopropanecarboxamide" . "(1S,3R)-3-acetamido-N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide" . "(2S,4R)-1-[(2S)-2-[5-[3-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-6-methylpyridin-2-yl]propanoylamino]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide" . "(E)-1-(4-((2-(((1H-Benzo[d]imidazole-2-yl)methyl)thio)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino)phenyl)-3-(naphthalen-2-yl)prop-2-en-1-one" . "N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]quinoline-3-carboxamide" . "methyl 11-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]piperidin-4-ylidene]-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carboxylate" . "(4S,5aS,8S,8aR)-N-[(1S,2S)-2-chloro-1-[(2S,4R,5R)-3,4,5-trihydroxy-6-(methylsulfanyl)oxan-2-yl]propyl]-4-(2-methylpropyl)-octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide" . "(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[5-(1-methylimidazol-4-yl)-1,3-thiazol-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide" . "(2R)-2-[[3-cyano-2-[4-(2-fluoro-3-methylphenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid" . "(2R)-2-[[2-[4-(3-chloro-2-fluorophenyl)phenyl]-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide" . "N-hydroxy-4-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]benzamide" . "(1S,3S)-3-[2-methyl-6-[1-methyl-5-[[methyl(propyl)carbamoyl]oxymethyl]triazol-4-yl]pyridin-3-yl]oxycyclohexane-1-carboxylic acid" . "(4bS,7S,8aR)-4b-benzyl-7-hydroxy-N-[(2-methylpyridin-3-yl)methyl]-7-(3,3,3-trifluoropropyl)-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide" . "1-[2-[[3-fluoro-1-(3-fluoropyridin-2-yl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrrole-3-carboxamide" . "2-(2,6-dimethylanilino)-N,N-diethyl-2-oxoethanamine oxide" . "1-[3,5-dichloro-4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea" . "[(2S,3S,4S,5R,6S)-3,4,5,6-tetrakis(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate" . "4-(dimethylamino)-3-[[7-[3-[4-[4-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]but-3-ynyl]piperazine-1-carbonyl]piperazin-1-yl]propoxy]quinazolin-4-yl]amino]-N-methylbenzenesulfonamide" . "2-[7-[(5-cyano-1-methylindol-3-yl)methyl]-2-aza-7-azoniaspiro[4.4]nonan-2-yl]-N-hydroxypyrimidine-5-carboxamide" . "3-[4-chloro-2,6-bis(propan-2-yl)phenyl]-1-[3-(propan-2-yl)benzenesulfonyl]urea" . "3-[4-chloro-2,6-bis(propan-2-yl)phenyl]-1-[3-(2-hydroxypropan-2-yl)benzenesulfonyl]urea" . "2-(2-bromo-4-isopropylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide" . "(2R,3R,4S,5R,8R,9S,10S,11R,12R)-5-ethyl-3,4-dihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propan-2-yl)amino]oxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one" . "(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanamide" . "[2-(methylamino)-2-oxoethyl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate" . "1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-chloro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]piperazine-1-carboxylate" . "[3-(3-carbamoylphenyl)-4-hydroxyphenyl] N-cyclohexylcarbamate" . "N-[2-(2,4-Difluorophenyl)-1,3-thiazol-5-yl]-4-(1,4-oxazepan-4-yl)butanamide trifluoroacetate" . "1-(3,4-difluorophenyl)-2-[[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]oxy]ethanol" . "3-[4-(difluoromethoxy)phenyl]-5-(2-phenylethoxy)-[1,2,4]triazolo[4,3-a]pyrazine" . "2-(6-chloro-9H-purin-9-yl)-1-(2,4-dichlorophenyl)-1-ethanone" . "1-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone" . "4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide" . "2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid" . "2-Butyloxy-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)quinoline-4-carboxamide" . "5-cyclopropyl-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine" . "4-(4-Fluorobenzyl)-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one" . "(4,4-difluorocyclohexyl)(phenyl)methyl N-[(1S)-1-{[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-[(sodiooxy)sulfonyl]propan-2-yl]carbamoyl}-3-methylbutyl]carbamate" . "Phenylmethyl-d2((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)pentan-2-yl)carbamate" . "5-[(3R)-3-(5-chloro-3-fluoropyridin-2-yl)pyrrolidine-1-carbonyl]-3-(2,6-diethylphenyl)-6-hydroxy-2-(1-methylpyrazol-3-yl)pyrimidin-4-one" . "(R)-2-butyl-5-(3-(5-chloropyridin-2-yl)pyrrolidine-1-carbonyl)-1-(2,6-dimethoxyphenyl)-6-hydroxypyrimidin-4(1H)-one" . "3-[5-[(5-chloropyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-1H-pyridin-2-one" . "1-[7-(6-cyclopropyl-2-{[4-(3-methoxypropyl)cyclohexyl]oxy}-7-(5-methyl-1H-indazol-4-yl)-8-(2,2,2-trifluoroethoxy)quinazolin-4-yl)-2,7-diazaspiro[3.5]nonan-2-yl]prop-2-en-1-one" . "[(2R,3R,4R,5R)-5-{4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl}-5-cyano-3,4-bis[(2-methylpropanoyl)oxy]oxolan-2-yl]methyl 2-methylpropanoate" . "7-dimethylphosphoryl-3-[2-[[(3S)-6,6-dimethylpiperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole-6-carbonitrile" . "(1S,2S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-{4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl}cyclopentane-1,2-diol" . "3-(2,4,6-trimethylphenyl)-3aH,4H,5H,6H,7aH-pyrano[3,2-d][1,2]oxazole" . "(2E)-2-cyano-3-(3,5-dichlorophenyl)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]prop-2-enamide" . "5-[5-bromo-2-(trifluoromethoxy)phenyl]-1-(cyclohexylmethyl)-2-methyl-1H-pyrrole-3-carboxylic acid" . "1-(5-{4-fluoro-2-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]phenyl}-1-methyl-1H-indazol-3-yl)-N,N-dimethylmethanamine" . "1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]thiourea" . "7-(benzyloxy)-1-{[4-(benzyloxy)phenyl]methyl}-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline" . "6-methoxy-2-methyl-7-phenoxy-1-[(4-phenoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline" . "5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one" . "(3R)-3-(3-hydroxy-2,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol" . "(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol" . "(1S,3aS,3bR,9bS,11aS)-7-ethenyl-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-ol" . "1-[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]ethanone" . "N-(4-chlorophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide" . "2-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]propan-2-amine" . "2-[9,10-dimethoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethylurea" . "4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide" . "(6E)-6-[(6-chloro-2-methyl-2H-indazol-5-yl)imino]-3-(5-methylpyridin-3-yl)-1-[(3,4,5-trifluorophenyl)methyl]-1,3,5-triazinane-2,4-dione" . "(6E)-6-[(6-chloro-2-methyl-2H-indazol-5-yl)imino]-3-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazinane-2,4-dione" . "2-amino-9-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-ynylpurin-8-one" . "3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[4-methoxy-6-[(2S)-2-methylpiperazin-1-yl]pyridin-3-yl]pyridin-2-amine" . "[(3R)-oxolan-3-yl] 4-[6-[5-(4-ethoxy-1-propan-2-ylpiperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate" . "2-chloro-N-[5-[3-[2-(dimethylamino)ethoxy]-4-oxopyrido[1,2-a]pyrimidin-7-yl]-2-methoxypyridin-3-yl]-4-fluorobenzenesulfonamide" . "5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]pyrimidine-2,4-diamine" . "(3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide" . "5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine" . "4-[3-(cyanomethyl)-3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazol-1-yl]azetidin-1-yl]-2,5-difluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide" . "(E)-3-[1-[5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)-1,2-oxazole-4-carbonyl]-3-methylindol-4-yl]prop-2-enoic acid" . "6-(2-amino-3-fluoropyridin-4-yl)-2-(2-amino-6-methylpyrimidin-4-yl)pyridin-3-ol" . "5-(2-chlorophenyl)-3-methyl-8-(morpholin-4-yl)-1,10-dihydropyrazolo[4,3-b]pyrido[4,3-e][1,4]diazepine" . "2-amino-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-5-[4-[(1R,5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide" . "(3S)-1-[5-tert-butyl-3-[(1-methyltetrazol-5-yl)methyl]triazolo[4,5-d]pyrimidin-7-yl]pyrrolidin-3-ol" . "(2S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropyl-2-[4-methyl-2-oxo-3-(2,2,2-trifluoroethylamino)pyridin-1-yl]propanamide" . "4-[[[5-bromo-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]methyl]benzenesulfonamide" . "N-[3-[[5-bromo-2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide" . "N-[3-[[5-bromo-4-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide" . "N-(2-chloro-6-fluorophenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide" . "[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate" . "2-(5-hydroxy-1H-indol-3-yl)acetic acid" . "[(3S)-1-[(3R)-5-oxooxolane-3-carbonyl]piperidin-3-yl] 4-[(1R,2S)-1-(4-cyclopropylphenyl)-2-[[(2R)-oxolane-2-carbonyl]amino]propoxy]benzoate" . "(1r,4r)-4-[3-(hydroxymethyl)phenoxy]-N-methyl-N-(3-methyl-4-{[(3S)-3-methylpiperazin-1-yl]methyl}phenyl)cyclohexane-1-carboxamide" . "2-(2-chlorophenyl)-7-(isoquinolin-4-yl)-5,7-diazaspiro[3.4]octane-6,8-dione" . "N-[2-[4-[[6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2-azaspiro[3.3]heptan-2-yl]methyl]cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide" . "(2S,3R,4R,5S,6R)-2-[7-chloro-6-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol" . "Methyl 4-(2-{N′-[(E)-[(5-Cyano-7-methyl-1H-indol-3-yl)methylidene]amino]carbamimidamido}ethyl)benzoate" . "N-[4-(3-{[2-hydroxy-3-(4-hydroxy-3-methanesulfonamidophenoxy)propyl]amino}-3-methylbutyl)phenyl]benzenesulfonamide" . "(2S,3S,4R,5R)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)pyrrolidine-3,4-diol" . "2,6-diamino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-5-[3-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-1-yl]pyridine-3-carboxamide" . "(2R)-2-(2-{1-[(1R)-1-(2,6-dichloro-3-cyclopropylphenyl)ethyl]-1H-imidazo[4,5-c]pyridin-6-yl}phenyl)propanoic acid" . "(3S,4S)-N-(3-cyano-4-fluorophenyl)-3-(6-cyclopropyloxypyridin-3-yl)-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinoline-4-carboxamide" . "4-(aminomethyl)-1-{5-[2-methoxy-6-(propan-2-yl)pyridin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl}piperidin-4-ol" . "N-benzyl-N-[2-ethyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]thiophene-2-carboxamide" . "N-(furan-2-ylmethyl)-N-[4-oxo-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]benzamide" . "3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-N-[1-(diethoxyphosphorylmethyl)pyrazol-3-yl]-5-propan-2-yloxybenzamide" . "N-{3-[(4S)-2-amino-4-methyl-1-[(2S,4S)-2-methyloxan-4-yl]-6-oxo-1,4,5,6-tetrahydropyrimidin-4-yl]-2-chlorophenyl}-3,5,7-trifluoroadamantane-1-carboxamide" . "2-[4-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol" . "(S)-2-(4-(((1R,2S)-2-Hydroxycyclopentyl)methyl)phenyl)propanoic acid" . "N-[4-(2-hydroxypropan-2-yl)phenyl]-3-oxo-2-[2-(2,2,2-trifluoroethoxy)phenyl]pyridazine-4-carboxamide" . "N-(cyclopropanesulfonyl)-5-cyclopropyl-2-[(cyclopropylmethyl)[(1R)-1-[5'-methyl-2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl]ethyl]amino]-1,3-thiazole-4-carboxamide" . "1-[(3S,4S)-4-[8-(2-chloro-4-pyrimidin-2-yloxyphenyl)-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]-3-fluoropiperidin-1-yl]-2-hydroxyethanone" . "(Z)-N-(3-((4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)propyl)-6-((2-(4-(1-(4-hydroxyphenyl)-2-phenylbut-1-en-1-yl)phenoxy)ethyl)(methyl)amino)hexanamide" . "1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone" . "2-{2-[(6-cyano-1-methyl-1H-indol-3-yl)methyl]-2,6-diazaspiro[3.4]octan-6-yl}-N-hydroxypyrimidine-5-carboxamide" . "6-fluoro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide" . "N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxopyridin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide" . "2-[4-[4-(aminomethyl)-1-oxo-2H-phthalazin-6-yl]-2-methylpyrazol-3-yl]-4-chloro-6-cyclopropyloxy-3-fluorobenzonitrile" . "N-[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-8-[(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-ylisoquinolin-3-amine" . "2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4-fluoro-4-methylpiperidin-1-yl)-6-methylpyrimidin-4-yl]-4-(2-hydroxyethylsulfonylamino)benzamide" . "3-[(4R)-2-hydroxyoxaborolan-4-yl]-5-(4-methoxy-3-propoxyphenyl)pyridine" . "N-[(2S)-1-[(2R)-2-chloro-2-fluoro-N-{[(3S)-2-oxopyrrolidin-3-yl]methyl}acetohydrazido]-3-(1-methylcyclopropyl)-1-oxopropan-2-yl]-5-(difluoromethyl)-1,2-oxazole-3-carboxamide" . "N-[4-fluoro-5-[[(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide" . "4-[[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalene-2-carbonyl]amino]benzoic acid" . "(2S)-N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-(methanesulfonamido)pentanediamide" . "(2S)-1-[2-(difluoromethyl)-6-[2-(difluoromethyl)pyridin-4-yl]pyridin-3-yl]oxy-2,4-dimethylpentan-2-amine" . "(3S)-3-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione" . "N-[(1R,3S)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-7-fluoro-4-methyl-1H-indole-2-carboxamide" . "1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one" . "6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine" . "N-[(2S)-1-[[4-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridin-2-yl]-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-1-methylsulfonylpyrrole-3-carboxamide" . "1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione" . "3-(5-methyl-1,3-thiazol-2-yl)-5-[(3R)-oxolan-3-yl]oxy-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide" . "(R)-(1-(4-((4-Bromo-3-methyl-5-((phenylsulfonyl)methyl)phenoxy)methyl)benzyl)pyrrolidin-2-yl)methanol" . "N-{[(2R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}-3-cyano-N-ethyl-4-methoxybenzene-1-sulfonamide" . "(R)-2-(2-Chloro-6-fluoro-3-((1-methylpyrrolidin-3-yl)oxy)phenyl)naphtho[2,3-d]oxazole-4,9-dione" . "(3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine" . "2-amino-9-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-ynyl-1H-purine-6,8-dione" . "3-Cyano-2-(1-methyl-1H-pyrazole-4-carboxamido)-N-(2-pyridinyl)-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxamide" . "2-[2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5-methyl-11-methylsulfonylpyrimido[4,5-b][1,4]benzodiazepin-6-one" . "2-phenylbenzo[f][1,3]benzoxazole-4,9-dione" . "S-(((2S,3S,4R,5R)-5-(4-Amino-5-(quinolin-3-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4- dihydroxytetrahydrofuran-2-yl)methyl)-L-homocysteine" . "(2S)-2-[[(1S)-1-carboxy-5-[[(2S)-3-naphthalen-2-yl-2-[[4-[[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]methyl]cyclohexanecarbonyl]amino]propanoyl]amino]pentyl]carbamoylamino]pentanedioic acid" . "1-[4-[[[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino]methyl]-4-fluoropiperidin-1-yl]prop-2-en-1-one" . "4-[[(1S,4S)-5-[[4-[4-(1,3-oxazol-2-yl)phenoxy]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid" . "2-[(S)-cyclopropyl-(4-methylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-7-(imidazol-1-ylmethyl)-3,4-dihydroisoquinolin-1-one" . "N-[5-[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-1,6-naphthyridin-7-yl]-4-methoxy-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]but-2-ynamide" . "(2S,3R)-3-[(2-aminopyridin-4-yl)methyl]-1-[[(1R)-1-cyclohexylethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid" . "4-[4-(tert-butylamino)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]quinolin-2-amine" . "5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole" . "5-methyl-2-phenyl-4H-pyrazol-3-one" . "7-methylsulfanyl-3-nitro-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one" . "N-[5-[3-[[4-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoylamino]ethyl]piperazin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide" . "[(3R)-3-fluoropyrrolidin-1-yl]-[6-[5-(trifluoromethyl)pyridin-2-yl]oxyquinolin-2-yl]methanone" . "4-[[1-[4-(2,9-dichloro-5,5-dimethyl-6-oxo-pyrido[2,3-d][1]benzazepin-7-yl)phenyl]-3-fluoro-azetidin-3-yl]methylamino]cyclohexanecarboxylic acid" . "N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide" . "2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide" . "(3R)-4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one" . "7-[[(4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-yl]oxy]-N,N,2-trimethyl-3H-benzimidazole-5-carboxamide" . "5-chloro-N-[3-cyclopropyl-5-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]-4-(6-methyl-1H-indol-3-yl)pyrimidin-2-amine" . "2-(6-tert-butyl-3-chloro-4-methylsulfanyl-9-oxoacridin-10-yl)acetic acid" . "[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,36-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]heptatriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undecaen-13-yl] acetate" . "2-[4-(2-methylpyridin-4-yl)phenyl]-N-(4-pyridin-3-ylphenyl)acetamide" . "[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-26-[(E)-(4-cyclopentylpiperazin-1-yl)iminomethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate" . "[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23-dioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(32),2,4,9,19,21,24,26,30-nonaene-28,4'-piperidine]-13-yl] acetate" . "(1R,2S)-1-hydroxy-2-[[(2S)-4-methyl-2-[(7-methylsulfonyl-7-azaspiro[3.5]nonan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid" . "4-[[[2-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonyl]amino]methyl]benzoic acid" . "[(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate" . "(4R,5S,6S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate" . "(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "(6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile" . "(6R,7R)-7-[[(2R)-2-(4-hydroxyphenyl)-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "(7-(4-(3-Fluoro-5-methoxybenzoyl)-2,6-dimethylphenoxy)-4-hydroxy-1-methoxyisoquinoline-3-carbonyl)glycine" . "(6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "(6R,7R)-7-[[2-carboxy-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" . "(4R)-6-chloro-N-isoquinolin-4-yl-3,4-dihydro-2H-chromene-4-carboxamide" . "(6R,7R)-3-[[3-amino-2-(2-hydroxyethyl)pyrazol-1-ium-1-yl]methyl]-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" . "[(1S,5R)-3-hydroxy-3-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone" . "4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide" . "4-[(3S,3aR)-3-cyclopentyl-7-(4-hydroxypiperidine-1-carbonyl)-3,3a,4,5-tetrahydropyrazolo[3,4-f]quinolin-2-yl]-2-chlorobenzonitrile" . "(2S)-N-[1-(cyclopropylcarbamoyl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-[(2E)-3-(2,4-dichlorophenyl)prop-2-enamido]-4,4-dimethylpentanamide" . "(2S)-2-{[(1S,3aR,6aS)-2-(1H-indole-2-carbonyl)-octahydrocyclopenta[c]pyrrol-1-yl]formamido}-1-hydroxy-3-[(3S)-2-oxopiperidin-3-yl]propane-1-sulfonic acid" . "(2S)-2-[[(2S)-1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid" . "5-[4-[[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbonyl]amino]phenyl]-2-phenylmethoxybenzoic acid" . "4′-(5-Amino-3-((4-(methylcarbamoyl)phenyl)amino)-1H-1,2,4-triazole-1-carboxamido)-4-(benzyloxy)-[1,1′-biphenyl]-3-carboxylic acid" . "(2S,3S,4R,5S)-2-[5,6-dichloro-2-(propan-2-ylamino)benzimidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol" . "(3S,8S,9S,10R,13R,14S,17R)-3,10,13-trimethyl-17-[(2R,5S)-6,6,6-trifluoro-5-hydroxy-5-methylhexan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol" . "N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine" . "5-(3-chloro-4-fluorophenyl)-7-cyclopropyl-3-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]pyrrolo[2,3-d]pyrimidin-4-one" . "(6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[2,3-f]pyridazin-4-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" . "(4Z,7Z,9E,11E,13R,14S,16Z,19Z)-13,14-dihydroxydocosa-4,7,9,11,16,19-hexaenoic acid" . "N-(6-Chloro-1-(3-(4-hydroxy-3-((2-oxopyridin-1(2H)-yl)methyl)phenyl)prop-2-yn-1-yl)-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-(p-tolyl)propanamide" . "(4Z,7R,8E,10E,12Z,14S,16Z,19Z)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid" . "(4S)-5-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[(2S)-2-(2-amino-2-oxoethyl)pyrrolidin-1-yl]-4-carboxy-1-oxobutan-2-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-[5-[[4-(4-carbamoylphenoxy)benzoyl]amino]pentanoylamino]-5-oxopentanoic acid" . "(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol" . "(2R)-4-(3-fluoropyridin-4-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide" . "6-(4,6-Dimorpholino-1,3,5-triazin-2-yl)benzo[d]oxazol-2-amine" . "5-hydroxy-8-[1-hydroxy-2-[[2-methyl-1-(2-methylphenyl)propan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one" . "1-[4-[7-(2-amino-7-fluoro-1,3-benzothiazol-4-yl)-6-chloro-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one" . "[6-(2-amino-3-chloropyridin-4-yl)sulfanyl-3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methylpyrazin-2-yl]methanol" . "(3S,4S)-8-[6-amino-5-(2-amino-3-chloropyridin-4-yl)sulfanylpyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine" . "(2S,4R)-1-[(2S)-2-[9-[4-[6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]benzimidazol-4-yl]piperazin-1-yl]nonanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide" . "1-(2,3-dichlorobenzoyl)-4-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridin-2-yl]methyl]piperidine-4-carboxylic acid" . "4-(((2S,3S)-3-((S)-1-(3,5-Dichlorophenyl)-2-hydroxyethoxy)-2-phenylpiperidin-1-yl)methyl)-3-nitrobenzoic Acid" . "(S)-2-Amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethyl-pyrrolo[2,3-b]pyridine-3-carboxamide" . "(1R,5S)-3-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridin-4-yl]-8-oxabicyclo[3.2.1]octan-3-ol" . "3-[[5-fluoro-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide" . "(2S)-2-[[2-[(4R)-4-(difluoromethyl)-2-oxo-1,3-thiazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide" . "5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-N-[5-(1-methylpiperidin-4-yl)pyridin-2-yl]pyrimidin-2-amine" . "5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-N-(5-piperazin-1-ylpyridin-2-yl)pyrimidin-2-amine" . "5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[5-(1-methylpiperidin-4-yl)pyridin-2-yl]pyrimidin-2-amine" . "N-cyclopentyl-5-[2-[[5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]amino]-5-fluoropyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine" . "4-[[(1R)-1-cyanoethyl]amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide" . "phosphonooxymethyl N-[(S)-[1-(1-bicyclo[1.1.1]pentanyl)triazol-4-yl]-(2-methyl-1-oxoisoquinolin-5-yl)methyl]-N-[8-chloro-3-cyano-4-(2,2-dimethylpropylamino)quinolin-6-yl]carbamate" . "(2'S,3R)-2'-[3-[(E)-2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethenyl]-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one" . "4-[(9-cyclopentyl-5-methyl-6-oxospiro[8H-pyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropane]-2-yl)amino]-3-methoxy-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]benzamide" . "methyl 2-hydroxy-3-[N-[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxylate" . "(E)-1-(3-((3-(2-(4-Chloro-3-(trifluoromethyl)benzylidene)hydrazine-1-carbonyl)-6,6-dimethyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)phenyl)-20-(2-methoxyethyl)-2,5,8,11,14,17-hexaoxa-20-azadocosan-22-oic Acid" . "9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-[1,4]oxazino[3,2-c]quinolin-3-one" . "2-N-[4-(4-methylpiperazin-1-yl)phenyl]-9-propan-2-yl-8-N-pyridin-3-ylpurine-2,8-diamine" . "(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-[(3S)-oxolan-3-yl]oxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide" . "N-[5-(6,7-dimethoxyquinolin-4-yl)oxypyridin-2-yl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide" . "N-[3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-yl]acetamide" . "1-N'-(4-fluorophenyl)-1-N-[4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide" . "6-[[(S)-[1-(1-bicyclo[1.1.1]pentanyl)triazol-4-yl]-(2-methyl-1-oxoisoquinolin-5-yl)methyl]amino]-8-chloro-4-(2,2-dimethylpropylamino)quinoline-3-carbonitrile" . "(3S)-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyridin-4-yl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide" . "2-(3-aminoquinolin-2-yl)propan-2-ol" . "1-[[2-fluoro-4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid" . "2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-methyl-7-propyl-3H-pyrrolo[2,3-d]pyrimidin-4-one" . "N-[6-[(2R,3S)-3,4-dihydroxybutan-2-yl]oxy-2-[(4-fluorophenyl)methylsulfanyl]pyrimidin-4-yl]-3-methylazetidine-1-sulfonamide" . "(R)-1-(3-(4-Amino-3-(1-(2,2-difluoro-2-phenylethyl)-1H-1,2,3-triazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one" . "N-(2-chloro-4-methylpyridin-3-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide" . "2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid" . "N-(5-(((5-(tert-Butyl)oxazol-2-yl)methyl)thio)thiazol-2-yl)-1-((2-(2-(((1R, 2S, 5R)-2-isopropyl-5-methylcyclohexyl)oxy) acetamido)ethyl)sulfonyl)piperidine-4-carboxamide" . "(2S)-4-[2-methoxyethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-(quinazolin-4-ylamino)butanoic acid" . "N-[[4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-3-hydroxy-N-[3-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]-3-(trifluoromethyl)cyclobutane-1-carboxamide" . "N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide" . "(5R)-4-[(1S,6R)-5-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one" . "5-chloro-2-[[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]benzamide" . "1-[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-methylsulfonylethanone" . "(4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one" . "N-methyl-5-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]pyridine-2-carboxamide" . "1-[5-tert-butyl-2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrazol-3-yl]-3-[(1S,4R)-4-[[3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea" . "[(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(2-bromo-3-methoxyphenyl)methanone" . "3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide" . "[(3R,4S,5R,6S)-6-[8-chloro-4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-2-oxochromen-7-yl]oxy-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate" . "[(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[(4-hydroxy-3-methoxybenzoyl)amino]-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate" . "[(2S,3R,4R,5R)-2-[8-chloro-4-hydroxy-3-[(4-hydroxy-3-methoxybenzoyl)amino]-2-oxochromen-7-yl]oxy-4-hydroxy-5-methoxy-6,6-dimethyloxan-3-yl] 5-methyl-1H-pyrrole-2-carboxylate" . "[(3R,4S,5R,6S)-6-[8-chloro-4-hydroxy-3-[(4-hydroxy-3-methoxybenzoyl)amino]-2-oxochromen-7-yl]oxy-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate" . "[(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate" . "(2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol" . "5-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-2-[(1R)-3-(difluoromethoxy)-1-[4-(3-methyltriazol-4-yl)pyrazol-1-yl]propyl]-1-oxidopyridin-1-ium" . "(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol" . "(2R)-N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide" . "(2S)-3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide" . "(2S,4R)-1-((S)-2-(9-(4-((3′-(((4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)carbamoyl)-5′-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-4′-methyl-[1,1′-biphenyl]-4-yl)methyl)piperazin-1-yl)-9-oxononanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide" . "2-(2-aminoethoxy)-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide" . "(2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-[5-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]pentyl]propanamide" . "4-[[(4R)-5-(cyclohexylmethyl)-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide" . "(2R)-1-[2-[2-[2-[4-[2-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenoxy]ethoxy]ethoxy]ethylamino]-3-[4-phenylmethoxy-3-(3-phenylpropoxy)phenoxy]propan-2-ol" . "N-[2-[2-[2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide" . "(4R)-2-(2-hydroxyanilino)-5,5-dimethyl-4H-1,3-thiazole-4-carboxylic acid" . "(2R,3R,4R)-2-[6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol" . "propan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate" . "2-[(3R)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol" . "1-[[2-[(1R)-1-aminoethyl]-4-chlorophenyl]methyl]-2-sulfanylidene-5H-pyrrolo[3,2-d]pyrimidin-4-one" . "N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-ylpyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide" . "6-[(1S)-2-[(3aR,6aS)-5-(2-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol" . "8-methoxy-6-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one" . "(2R)-2-(5-fluoro-2-methoxypyridin-4-yl)-1-[(2S)-7-methyl-6-(pyrimidin-2-yl)-3,4-dihydro-1H-spiro[1,8-naphthyridine-2,3'-pyrrolidin]-1'-yl]propan-1-one" . "N-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-amine" . "(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4-amino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol" . "(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol" . "(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol" . "(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol" . "2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine" . "4-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]butyl 5-[[3-[(S)-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxycarbonylamino]-phenylmethyl]phenoxy]methyl]-1-methylpyrazole-3-carboxylate" . "1-{1-[(3S,5R)-5-{1-[(4-chlorophenyl)methyl]-5-methyl-1H-indol-2-yl}-1-{2-methyl-1H-pyrrolo[2,3-b]pyridine-5-carbonyl}pyrrolidin-3-yl]-3-methyl-1H-pyrazol-5-yl}methanamine" . "4-[[5,8-dimethyl-7-(2-methylphenyl)-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide" . "1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea" . "1-(1-ethylpiperidin-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea" . "3-[(1S,2S)-1-[5-[(4S)-2,2-dimethyloxan-4-yl]-2-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]indol-1-yl]-2-methylcyclopropyl]-4H-1,2,4-oxadiazol-5-one" . "(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4-diol" . "(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid" . "(6R,7S)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "(5R,6S)-3-[(3S)-1-ethanimidoylpyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid" . "11-(3-(Dimethylamino)prop-1-yn-1-yl)-5,6,7,8-tetrahydropyrimido[4′,5′:3,4]cyclohepta[1,2-b]indol-2-amine" . "(6R,7R)-3-(acetyloxymethyl)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "(2S,3S,5R)-3-methyl-3-[(3-methyltriazol-3-ium-1-yl)methyl]-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate" . "(6R,7R)-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" . "5-ethyl-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-3-carboxamide" . "(6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "(6R,7R)-3-(acetyloxymethyl)-7-[(2-cyanoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "N-[4-chloro-3-(trifluoromethyl)phenyl]-2-propoxybenzamide" . "1-[(2R,4S,5R)-5-(azidomethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione" . "1-[(2R,4S,5S)-4-hydroxy-5-(sulfanylmethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione" . "[3-(aminomethyl)-5,7-dimethyl-1-adamantyl]methyl nitrate" . "(6R,7R)-7-[[2-(3,5-dichloro-4-oxopyridin-1-yl)acetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "(6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "4-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2R,4S)-1-ethoxycarbonyl-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyrimidin-5-yl]oxybutanoic acid" . "1-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]ethanone" . "2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[(2R)-2-methyl-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-5-yl]piperazin-1-yl]ethanone" . "(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-(4-fluorophenyl)-1,3-oxazol-5-yl]cyclohexane-1-carboxamide" . "(6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine-3-carboxamide" . "N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]-4-methyl-3-(2-oxopyrrolidin-1-yl)benzamide" . "(6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-8-oxo-3-[[1-(sulfomethyl)tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "(6R,7R)-7-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-3-[[1-(carboxymethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid" . "3-[6-[3-(hydroxymethyl)-2-phenylmorpholine-4-carbonyl]-1-methylbenzimidazol-2-yl]-1H-indole-6-carbonitrile" . "3-[5-bromo-6-[(2R,3R)-2-(4-fluorophenyl)-3-(hydroxymethyl)morpholine-4-carbonyl]-1-methylbenzimidazol-2-yl]-1-ethylindole-6-carbonitrile" . "(4S)-6-chloro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide" . "(2S)-1-hydroxy-2-[[(2S)-4-methyl-2-[[3-(trifluoromethyl)phenyl]methoxycarbonylamino]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid" . "N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxopyridin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide" . "(2S)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanoic acid" . "2-methyl-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]propanoic acid" . "(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(4-pyrrolidin-1-ylcyclohexyl)ethanone" . "3-[4-chloro-3-(2-methylphenoxy)naphthalen-1-yl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione" . "N-((S)-1-{2-[(R)-2-Chloro-2-fluoroacetyl]-2-{[(S)-2-oxopyrrolidin-3-yl]methyl}hydrazineyl}-4-methyl-1-oxopentan-2-yl)-4-fluoro-1H-indole-2-carboxamide" . "(2S)-2-amino-3-[(3-chloro-2-methyl-5-sulfophenyl)carbamoylamino]propanoic acid" . "(1R,3R)-3-[[3-bromo-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]-N,1-dimethylcyclopentane-1-carboxamide" . "N-tert-butyl-2-[2-[8-(methanesulfonamido)-6,6-dimethyl-11-oxonaphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methylpyridine-4-carboxamide" . "2-[5-(3-ethoxypyridin-2-yl)oxypyridin-3-yl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide" . "[(3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone" . "5-benzyl-N-[(3S)-7,9-difluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide" . "8-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propanoyl]piperazin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile" . "N-cyclohexyl-3-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyanilino]-1-methylpyrazole-4-carboxamide" . "1-((R)-11-(((R)-1-(3-(Difluoromethyl)-2-fluorophenyl)ethyl)amino)-9-methyl-1,2,3,4,4a,5-hexahydropyrazino[1′,2′:4,5][1,4]oxazino[3,2-g]quinazoline-3-carbonyl)cyclopropane-1-carbonitrile" . "6-tert-butyl-2-(furan-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid" . "2-[(4-methoxynaphthalen-2-yl)amino]-5-nitrobenzoic acid" . "(2R)-4-oxo-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(1E)-2-phenylethenyl]azetidin-1-yl]-N-[(1S)-1-phenylethyl]-4-{4-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}butanamide" . "(3S)-3-((2-Chloro-5-(2,2-difluoroethyl)-8-fluoro-5H-dibenzo[b,e][1,4]diazepin-11-yl)amino)-N-(8-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)octyl)pyrrolidine-1-carboxamide" . "5-hydroxy-9,10-dioxoanthracene-1-sulfonamide" . "N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide" . "4-[[di(pyrazin-2-yl)amino]methyl]-N-hydroxybenzamide" . "4-[[7'-[(1R,3R)-3-hydroxycyclohexyl]-6'-oxospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-yl]amino]-N-(trideuteriomethyl)benzenesulfonamide" . "2-[4-(difluoromethyl)-6-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-7-methylindazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide" . "(4S)-2-amino-4-[3-[6-[(2S)-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile" . "1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(6S)-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea" . "2-[[3,4-bis(2-phenylethoxy)phenyl]methylamino]ethanol" . "(2R)-7-chloro-2-[4-(dimethylamino)cyclohexyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide" . "3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-2,4-dioxo-1H-thieno[3,4-d]pyrimidine-5-carboxylic acid" . "3-ethyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide" . "2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid" . "N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-[2-(2H-tetrazol-5-yl)pyridin-4-yl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide" . "(2S)-3-[4-(2-carbazol-9-ylethoxy)phenyl]-2-[2-(4-fluorobenzoyl)anilino]propanoic acid" . _:ref46_311 . _:ref46_312 . _:ref46_313 . _:ref46_314 . _:ref45_507 . _:ref1_573 . _:ref2_582 . _:ref3_582 . _:ref1_582 . _:ref3_583 . _:ref2_583 . _:ref1_583 . _:ref3_585 . _:ref2_585 . _:ref1_585 . _:ref1_599 . _:ref2_599 . _:ref3_599 . _:ref2_605 . _:ref1_605 . _:ref3_605 . _:ref1_606 . _:ref1_612 . _:ref2_613 . _:ref16_613 . _:ref1_613 . _:ref56_617 . _:ref3_639 . _:ref3_639 . _:ref1_639 . _:ref1_644 . _:ref2_646 . _:ref1_646 . _:ref3_646 . _:ref3_649 . _:ref1_649 . _:ref2_649 . _:ref1_650 . _:ref1_681 . _:ref1_682 . _:ref1_683 . _:ref1_684 . _:ref1_685 . _:ref1_687 . _:ref3_688 . _:ref2_688 . _:ref3_695 . _:ref2_695 . _:ref3_696 . _:ref3_697 . _:ref1_753 . _:ref1_754 . _:ref1_755 . _:ref1_756 . _:ref1_757 . _:ref1_758 . _:ref1_759 . _:ref1_769 . _:ref1_770 . _:ref1_771 . _:ref1_772 . _:ref1_775 . _:ref1_776 . _:ref2_787 . _:ref1_797 . _:ref1_798 . _:ref1_808 . _:ref1_810 . _:ref1_811 . _:ref1_812 . _:ref1_817 . _:ref1_819 . _:ref1_820 . _:ref1_821 . _:ref3_826 . _:ref1_827 . _:ref1_828 . _:ref1_829 . _:ref1_830 . _:ref1_835 . _:ref1_836 . _:ref1_837 . _:ref1_845 . _:ref1_855 . _:ref1_856 . _:ref1_860 . _:ref1_861 . _:ref7_862 . _:ref1_864 . _:ref3_864 . _:ref2_864 . _:ref2_912 . _:ref3_912 . _:ref1_912 . _:ref22_913 . _:ref65_918 . _:ref1_919 . _:ref2_920 . _:ref3_920 . _:ref1_921 . _:ref32_922 . _:ref2_927 . _:ref1_928 . _:ref2_929 . _:ref3_929 . _:ref3_989 . _:ref1_989 . _:ref2_989 . _:ref1_990 . _:ref31_995 . _:ref2_1004 . _:ref1_1004 . _:ref3_1004 . _:ref31_1008 . _:ref1_1031 . _:ref1_1044 . _:ref1_1047 . _:ref1_1063 . _:ref1_1098 . _:ref1_1099 . _:ref3_1126 . _:ref2_1132 . _:ref1_1132 . _:ref3_1132 . _:ref48_1135 . _:ref2_1136 . _:ref1_1136 . _:ref3_1136 . _:ref1_1140 . _:ref3_1141 . _:ref1_1143 . _:ref3_1144 . _:ref3_1152 . _:ref2_1152 . _:ref1_1152 . _:ref3_1162 . _:ref2_1162 . _:ref1_1162 . _:ref1_1164 . _:ref1_1272 . _:ref1_1284 . _:ref1_1285 . _:ref1_1288 . _:ref1_1298 . _:ref2_1298 . _:ref3_1298 . _:ref3_1320 . _:ref1_1320 . _:ref2_1320 . _:ref2_1329 . _:ref2_1331 . _:ref3_1331 . _:ref3_1333 . _:ref1_1333 . _:ref2_1333 . _:ref1_1335 . _:ref7_1457 . _:ref1_1458 . _:ref16_1458 . _:ref5_1459 . _:ref1_1468 . _:ref3_1469 . _:ref1_1470 . _:ref16_1471 . _:ref7_1472 . _:ref16_1473 . _:ref3_1479 . _:ref1_1479 . _:ref2_1479 . _:ref21_1480 . _:ref1_1490 . _:ref2_1491 . _:ref3_1492 . _:ref1_1495 . _:ref1_1496 . _:ref1_1499 . _:ref1_1500 . _:ref1_1501 . _:ref1_1502 . _:ref2_1504 . _:ref1_1504 . _:ref3_1504 . _:ref16_1505 . _:ref4_1511 . _:ref1_1512 . _:ref3_1513 . _:ref1_1514 . _:ref2_1515 . _:ref16_1515 . _:ref3_1515 . _:ref1_1517 . _:ref2_1554 . _:ref3_1554 . _:ref38_1575 . _:ref1_1576 . _:ref3_1578 . _:ref2_1578 . _:ref3_1579 . _:ref4_1579 . _:ref1_1579 . _:ref2_1579 . _:ref1_1587 . _:ref3_1587 . _:ref2_1587 . _:ref1_1600 . _:ref3_1600 . _:ref2_1600 . _:ref3_1613 . _:ref1_1613 . _:ref2_1613 . _:ref2_1614 . _:ref1_1614 . _:ref3_1614 . _:ref1_1619 . _:ref3_1619 . _:ref2_1619 . _:ref1_1620 . _:ref2_1620 . _:ref3_1620 . _:ref1_1621 . _:ref3_1621 . _:ref2_1621 . _:ref3_1622 . _:ref2_1622 . _:ref1_1622 . _:ref1_1643 . _:ref3_1644 . _:ref1_1644 . _:ref2_1644 . _:ref3_1681 . _:ref1_1681 . _:ref2_1681 . _:ref2_1697 . _:ref3_1697 . _:ref1_1697 . _:ref1_1699 . _:ref1_1785 . _:ref3_1786 . _:ref1_1790 . _:ref4_1815 . _:ref1_1815 . _:ref47_1865 . _:ref1_1866 . _:ref1_1867 . _:ref1_1871 . _:ref3_1872 . _:ref1_1873 . _:ref3_1874 . _:ref1_1995 . _:ref1_1997 . _:ref1_2000 . _:ref2_2007 . _:ref3_2007 . _:ref1_2008 . _:ref3_2019 . _:ref2_2019 . _:ref1_2019 . _:ref2_2020 . _:ref3_2020 . _:ref1_2020 . _:ref2_2087 . _:ref52_2088 . _:ref1_2089 . _:ref2_2089 . _:ref3_2089 . _:ref3_2090 . _:ref16_2090 . _:ref1_2090 . _:ref2_2090 . _:ref1_2091 . _:ref3_2091 . _:ref64_2093 . _:ref66_2094 . _:ref1_2098 . _:ref2_2098 . _:ref3_2098 . _:ref2_2139 . _:ref3_2139 . _:ref1_2139 . _:ref1_2153 . _:ref2_2154 . _:ref3_2155 . _:ref1_2156 . _:ref3_2156 . _:ref2_2156 . _:ref2_2168 . _:ref1_2168 . _:ref3_2168 . _:ref16_2172 . _:ref1_2174 . _:ref2_2174 . _:ref3_2174 . _:ref3_2257 . _:ref2_2257 . _:ref1_2257 . _:ref22_2257 . _:ref3_2258 . _:ref1_2258 . _:ref2_2258 . _:ref79_2264 . _:ref1_2270 . _:ref1_2274 . _:ref3_2275 . _:ref48_2280 . _:ref58_2306 . _:ref34_2310 . _:ref55_2316 . _:ref59_2319 . _:ref25_2325 . _:ref55_2328 . _:ref69_2332 . _:ref1_2351 . _:ref68_2354 . _:ref29_2383 . _:ref2_2495 . _:ref3_2504 . _:ref2_2504 . _:ref1_2504 . _:ref60_2521 . _:ref53_2527 . _:ref94_2528 . _:ref94_2529 . _:ref94_2530 . _:ref37_2531 . _:ref37_2532 . _:ref37_2533 . _:ref37_2534 . _:ref38_2535 . _:ref40_2536 . _:ref40_2537 . _:ref40_2538 . _:ref83_2539 . _:ref63_2540 . _:ref63_2541 . _:ref63_2542 . _:ref47_2544 . _:ref33_2545 . _:ref58_2546 . _:ref77_2547 . _:ref29_2548 . _:ref70_2549 . _:ref75_2551 . _:ref34_2552 . _:ref46_2563 . _:ref35_2574 . _:ref35_2575 . _:ref71_2576 . _:ref26_2578 . _:ref50_2580 . _:ref49_2581 . _:ref61_2582 . _:ref61_2583 . _:ref27_2609 . _:ref57_2610 . _:ref34_2612 . _:ref74_2613 . _:ref26_2614 . _:ref75_2615 . _:ref9_2618 . _:ref78_2620 . _:ref72_2627 . _:ref38_2630 . _:ref43_2631 . _:ref34_2632 . _:ref1_2945 . _:ref2_2947 . _:ref2_3540 . _:ref2_3541 . _:ref1_3542 . _:ref2_3543 . _:ref2_3544 . _:ref1_3544 . _:ref3_3544 . _:ref3_3545 . _:ref2_3546 . _:ref3_3546 . _:ref1_3547 . _:ref1_3548 . _:ref1_3549 . _:ref2_3550 . _:ref3_3551 . _:ref1_3552 . _:ref2_3553 . _:ref3_3554 . _:ref3_3555 . _:ref2_3555 . _:ref2_3556 . _:ref3_3556 . _:ref1_3556 . _:ref1_3557 . _:ref1_3558 . _:ref1_3559 . _:ref2_3560 . _:ref3_3561 . _:ref1_3562 . _:ref2_3563 . _:ref3_3564 . _:ref1_3565 . _:ref1_3566 . _:ref2_3568 . _:ref3_3569 . _:ref1_3570 . _:ref2_3571 . _:ref3_3572 . _:ref3_3574 . _:ref2_3574 . _:ref3_3577 . _:ref1_3578 . _:ref2_3579 . _:ref3_3579 . _:ref2_3580 . _:ref3_3580 . _:ref1_3580 . _:ref16_3581 . _:ref1_3582 . _:ref16_3582 . _:ref2_3583 . _:ref3_3583 . _:ref3_3586 . _:ref2_3586 . _:ref2_3588 . _:ref2_3589 . _:ref2_3590 . _:ref3_3591 . _:ref1_3592 . _:ref2_3593 . _:ref3_3593 . _:ref1_3594 . _:ref2_3595 . _:ref3_3596 . _:ref3_3597 . _:ref2_3597 . _:ref3_3599 . _:ref2_3599 . _:ref1_3600 . _:ref3_3601 . _:ref2_3601 . _:ref2_3602 . _:ref3_3603 . _:ref1_3606 . _:ref2_3607 . _:ref3_3608 . _:ref1_3609 . _:ref3_3610 . _:ref2_3611 . _:ref2_3613 . _:ref2_3614 . _:ref3_3615 . _:ref2_3616 . _:ref3_3616 . _:ref2_3618 . _:ref3_3620 . _:ref2_3624 . _:ref3_3624 . _:ref1_3625 . _:ref2_3626 . _:ref1_3627 . _:ref2_3627 . _:ref3_3627 . _:ref2_3628 . _:ref3_3629 . _:ref2_3630 . _:ref3_3631 . _:ref2_3632 . _:ref1_3633 . _:ref1_3640 . _:ref2_3641 . _:ref1_3643 . _:ref2_3644 . _:ref1_3645 . _:ref1_3646 . _:ref1_3647 . _:ref1_3648 . _:ref1_3649 . _:ref1_3665 . _:ref2_3667 . _:ref1_3667 . _:ref3_3667 . _:ref1_3669 . _:ref3_3669 . _:ref2_3669 . _:ref1_3670 . _:ref1_3671 . _:ref1_3672 . _:ref1_3673 . _:ref1_3674 . _:ref1_3675 . _:ref1_3676 . _:ref1_3678 . _:ref1_3679 . _:ref1_3680 . _:ref1_3681 . _:ref1_3682 . _:ref1_3683 . _:ref1_3684 . _:ref1_3685 . _:ref1_3686 . _:ref1_3687 . _:ref1_3688 . _:ref1_3689 . _:ref1_3690 . _:ref1_3691 . _:ref1_3692 . _:ref1_3693 . _:ref1_3694 . _:ref1_3695 . _:ref1_3697 . _:ref1_3698 . _:ref1_3699 . _:ref1_3700 . _:ref1_3701 . _:ref1_3702 . _:ref1_3703 . _:ref1_3704 . _:ref1_3706 . _:ref2_3709 . _:ref3_3710 . _:ref3_3711 . _:ref2_3711 . _:ref2_3712 . _:ref3_3713 . _:ref2_3715 . _:ref3_3716 . _:ref2_3717 . _:ref3_3717 . _:ref2_3718 . _:ref3_3719 . _:ref2_3720 . _:ref3_3720 . _:ref2_3722 . _:ref3_3723 . _:ref1_3726 . _:ref1_3727 . _:ref1_3728 . _:ref1_3729 . _:ref1_3730 . _:ref1_3731 . _:ref1_3732 . _:ref1_3733 . _:ref1_3734 . _:ref1_3735 . _:ref1_3736 . _:ref1_3737 . _:ref1_3738 . _:ref1_3743 . _:ref1_3744 . _:ref1_3745 . _:ref1_3746 . _:ref1_3748 . _:ref1_3749 . _:ref1_3750 . _:ref1_3751 . _:ref1_3752 . _:ref64_3838 . _:ref2_3862 . _:ref62_3878 . _:ref1_3935 . _:ref39_3965 . _:ref40_3970 . _:ref36_3973 . _:ref42_3982 . _:ref38_3983 . _:ref73_3984 . _:ref43_3985 . _:ref40_3999 . _:ref95_4007 . _:ref44_4008 . _:ref38_4009 . _:ref40_4010 . _:ref1_4016 . _:ref1_4057 . _:ref1_4058 . _:ref64_4060 . _:ref27_4135 . _:ref47_4149 . _:ref38_4161 . _:ref35_4178 . _:ref55_4198 . _:ref55_4199 . _:ref83_4206 . _:ref59_4218 . _:ref67_4292 . _:ref51_4315 . _:ref1_4358 . _:ref1_4370 . _:ref2_4377 . _:ref3_4378 . _:ref1_4382 . _:ref2_4383 . _:ref2_4384 . _:ref3_4385 . _:ref2_4388 . _:ref3_4390 . _:ref2_4392 . _:ref3_4394 . _:ref1_4396 . _:ref2_4397 . _:ref2_4404 . _:ref2_4406 . _:ref3_4407 . _:ref2_4408 . _:ref2_4410 . _:ref3_4411 . _:ref3_4412 . _:ref2_4412 . _:ref2_4413 . _:ref3_4414 . _:ref2_4415 . _:ref3_4416 . _:ref2_4417 . _:ref2_4418 . _:ref3_4419 . _:ref2_4420 . _:ref2_4421 . _:ref2_4422 . _:ref2_4423 . _:ref2_4424 . _:ref3_4425 . _:ref2_4426 . _:ref3_4427 . _:ref2_4428 . _:ref2_4429 . _:ref2_4430 . _:ref3_4431 . _:ref2_4432 . _:ref2_4434 . _:ref2_4435 . _:ref3_4436 . _:ref16_4438 . _:ref19_4440 . _:ref19_4441 . _:ref3_4442 . _:ref2_4443 . _:ref2_4444 . _:ref3_4445 . _:ref3_4446 . _:ref2_4447 . _:ref1_4451 . _:ref1_4452 . _:ref1_4453 . _:ref2_4454 . _:ref2_4455 . _:ref2_4456 . _:ref3_4457 . _:ref3_4458 . _:ref3_4459 . _:ref2_4462 . _:ref2_4463 . _:ref3_4464 . _:ref2_4465 . _:ref2_4466 . _:ref3_4467 . _:ref2_4468 . _:ref3_4469 . _:ref1_4470 . _:ref2_4471 . _:ref3_4472 . _:ref1_4473 . _:ref1_4474 . _:ref1_4475 . _:ref2_4476 . _:ref3_4479 . _:ref24_4632 . _:ref1_4864 . _:ref1_4865 . _:ref1_4867 . _:ref1_4868 . _:ref1_4869 . _:ref1_4871 . _:ref1_4872 . _:ref1_4873 . _:ref1_4875 . _:ref1_4876 . _:ref1_4877 . _:ref1_4878 . _:ref1_4879 . _:ref1_4880 . _:ref1_4881 . _:ref1_4882 . _:ref1_4883 . _:ref1_4884 . _:ref1_4885 . _:ref1_4886 . _:ref1_4887 . _:ref1_4888 . _:ref1_4889 . _:ref1_4890 . _:ref1_4891 . _:ref1_4893 . _:ref1_4893 . _:ref1_4894 . _:ref1_4895 . _:ref1_4896 . _:ref1_4897 . _:ref1_4898 . _:ref1_4899 . _:ref1_4900 . _:ref1_4901 . _:ref1_4904 . _:ref1_4905 . _:ref1_4906 . _:ref1_4908 . _:ref1_4909 . _:ref1_4910 . _:ref1_4911 . _:ref1_4912 . _:ref1_4913 . _:ref1_4914 . _:ref1_4915 . _:ref1_4916 . _:ref1_4917 . _:ref1_4918 . _:ref1_4921 . _:ref1_4923 . _:ref1_4924 . _:ref1_4925 . _:ref1_4926 . _:ref1_4927 . _:ref1_4928 . _:ref1_4929 . _:ref1_4930 . _:ref1_4932 . _:ref1_4933 . _:ref1_4934 . _:ref1_4935 . _:ref1_4936 . _:ref1_4937 . _:ref1_4938 . _:ref1_4939 . _:ref1_4940 . _:ref1_4942 . _:ref1_4943 . _:ref1_4944 . _:ref1_4945 . _:ref1_4948 . _:ref1_4949 . _:ref1_4950 . _:ref1_4951 . _:ref1_4953 . _:ref1_4955 . _:ref1_4956 . _:ref1_4957 . _:ref1_4958 . _:ref1_4959 . _:ref1_4960 . _:ref1_4961 . _:ref1_4962 . _:ref1_4963 . _:ref1_4964 . _:ref1_4965 . _:ref1_4966 . _:ref1_4967 . _:ref1_4968 . _:ref1_4969 . _:ref1_4970 . _:ref1_4971 . _:ref1_4972 . _:ref1_4973 . _:ref1_4974 . _:ref1_4975 . _:ref1_4976 . _:ref1_4980 . _:ref1_4981 . _:ref1_4982 . _:ref1_4983 . _:ref1_4984 . _:ref1_4985 . _:ref1_4986 . _:ref1_4987 . _:ref1_4988 . _:ref1_4990 . _:ref1_4991 . _:ref1_4992 . _:ref1_4993 . _:ref1_4994 . _:ref1_4995 . _:ref1_4996 . _:ref1_4997 . _:ref1_4998 . _:ref1_4999 . _:ref1_5000 . _:ref1_5001 . _:ref1_5002 . _:ref1_5005 . _:ref1_5006 . _:ref1_5007 . _:ref1_5008 . _:ref1_5009 . _:ref1_5012 . _:ref1_5013 . _:ref1_5014 . _:ref1_5015 . _:ref1_5016 . _:ref1_5023 . _:ref1_5025 . _:ref1_5026 . _:ref1_5027 . _:ref1_5029 . _:ref1_5030 . _:ref1_5031 . _:ref1_5032 . _:ref1_5033 . _:ref1_5034 . _:ref1_5035 . _:ref1_5036 . _:ref1_5042 . _:ref1_5043 . _:ref1_5045 . _:ref1_5049 . _:ref1_5050 . _:ref1_5055 . _:ref1_5059 . _:ref1_5060 . _:ref1_5061 . _:ref1_5062 . _:ref1_5063 . _:ref1_5064 . _:ref1_5065 . _:ref1_5066 . _:ref1_5067 . _:ref1_5068 . _:ref1_5069 . _:ref1_5070 . _:ref1_5071 . _:ref1_5072 . _:ref1_5073 . _:ref1_5074 . _:ref1_5075 . _:ref1_5076 . _:ref1_5077 . _:ref1_5078 . _:ref1_5079 . _:ref1_5080 . _:ref1_5081 . _:ref1_5083 . _:ref1_5084 . _:ref1_5085 . _:ref1_5086 . _:ref1_5087 . _:ref1_5088 . _:ref1_5089 . _:ref1_5138 . _:ref1_5152 . _:ref1_5165 . _:ref1_5174 . _:ref1_5183 . _:ref1_5187 . 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. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . "HA" . "®" . "5-fluoro-8-hydroxy-2-(dipropylamino) tetralin" . "GW-501516" . "EN-137774" . "BK" . "CP55,940" . "UK 427857" . "SCH-DS" . "mouse neuropeptide S" . "rat neuropeptide S" . "SR27417" . "ICI 81008" . "SR 48,968" . "BMY7378" . "thyromimetic, 5b" . "SB-271046" . "1-NP" . "CP-34089" . "ZK-57671" . "Ro-600175" . "Ro-646198" . "CGP-44532" . "androstanolone" . "doconexent" . "LY-320954" . "[3H]SR48,968" . "SR-48692" . "[3H]reminertant" . "[3H]SR-48692" . "[3H]SQ29548" . "[3H]-SQ29548" . "(+)-lysergic acid diethylamide" . "[3H]SSR149415" . "PAPP" . "hLM60" . "WIN 35428" . "[3H]NAD-299" . "A-778317" . "A-317491" . "SB271046" . "L-883,595" . "YM-471" . "Ro-5212773" . "YM75440" . "YM 75440" . "RHC-80267" . "ZK-96480" . "RS-84135" . "RS 84135-004" . "OPC 14597" . "OPC-14597" . "bromocryptine" . "PSB-0413" . "CGS-15943" . "CP-481715" . "MRS-1486" . "GR-196429" . "LTβ" . "F 11356" . "FK-3657" . "ST-630" . "OPC-12759" . "NSC-686549" . "CP-154526" . "iodozacopride" . "AHR-11190-B" . "L-168049" . "L-798106" . "L-759656" . "(-)-UH 301" . "SB-215505" . "MCN-3377-98" . "L-796778" . "WIN-51708" . "CP-101606" . "Ansial" . "RU-28318" . "Clozapin" . "Clozaril" . "Fazaclo" . "Leponex" . "Lepotex" . "oxprenoate" . "Symbyax" . "Broncovaleas" . "FR-122047" . "serotonin" . "Antemoqua" . "Antemovis" . "Hippophain" . "Thrombocytin" . "Thrombotonin" . "Enteramine" . "Methylarterenol" . "Clorazil®" . "Relpax®" . "GR-103545" . "LY-487379" . "PSN-375963" . "MF-498" . "L-759633" . "SB-204741" . "RS-57639" . "RS-102,221" . "SB-612111" . "VUF-8430" . "SR-11237" . "Dpt-prostaglandin E1" . "SB-206553" . "CGP-62349" . "R-121919" . "fenamic acid" . "L-692429" . "BW-245C" . "GR-128107" . "BAY-117082" . "SB-225002" . "Supprelin LA" . "ZK-93423" . "7,4'-dihydroxyisoflavone" . "CP-99994" . "PSN-632408" . "CJ-11974" . "SK-105854" . "PD-165929" . "PQ-401" . "TAK-165" . "PD-123319" . "sulfobromophthalein" . "NPS-239" . "pFHHSiD" . "CGS-21680" . "cardio-green" . "N,N-diethyllysergamide" . "FR-139317" . "CGS-8216" . "Lysergic acid diethylamide" . "[3H]NAD 299" . "LY-255283" . "SB-258719" . "tiserton" . "FK888" . "Hu23F2G" . "compound 39 [PMID: 31497959]" . "VX740" . "HMR3480" . "XD25" . "LY 246708" . "methoxylated analogue of XD1" . "BAY117082" . "Rybelsus® (oral semaglutide)" . "Ozempic® (injectable semaglutide)" . "Trap101" . "NiK21273" . "compound 1a [PMID: 31525963]" . "compound 1b [PMID: 31525963]" . "GSK-1482160" . "compound 31 [PMID: 20673717]" . "JNJ61186372" . "JNJ-6372" . "compound 3 [PMID: 31532644]" . "9-hydroxy-risperidone" . "LY-3154207" . "OMO1" . "JNJ-38877618" . "JNJ38877618" . "example 60 [WO2007075567A1]" . "compound 42 [PMID: 31487175]" . "MK8719" . "thiamet G" . "AJM300" . "AJM-300" . "carotegrast methyl" . "HCA2969" . "IY-81149" . "IY81149" . "Noltec®" . "FT-207" . "FT207" . "Florafur®" . "Ftorafur®" . "compound 11c [PMID: 2617910]" . "Ro 09-4889" . "Secuado® (transdermal asenapine)" . "ORG5222" . "Reyvow®" . "brolucizumab-dbll" . "Beovu®" . "Aklief®" . "RG-7421" . "RG7421" . "RG 7421" . "KRX-0601" . "KRX0601" . "dipiperone" . "floropipamide" . "CI-994" . "MAK-683" . "EED inhibitor-1" . "example 2 [WO2016103155A1]" . "PF06821497" . "compound 23a [PMID: 29211475]" . "BAY 86-5274" . "ZK 244894" . "MK-0683" . "MK0683" . "CRA-24781" . "CB103" . "Aloperidin" . "Aloperidol" . "Eukystol" . "Brotopon" . "Galoperidol" . "OMP21M18" . "Halopoidol" . "Serenelfi" . "Chloropromazine" . "Contomin" . "Cromedazine" . "Megaphen" . "Plegomazin" . "Propaphenin" . "peptide 3c [PMID: 31611414]" . "haldol decanoate" . "Halomonth" . "compound 20 [PMID: 31589043]" . "betapindol" . "Decreten" . "Durapindol" . "AMG 337" . "Proprasylyt" . "Inderal" . "AMG-337" . "Rispolept" . "Rispolin" . "Sequinan" . "sertindol" . "Imitrex" . "MRI1867" . "cyamepromazine" . "ketaserin" . "methiothepine" . "pizotifan" . "pizotyline" . "sandomigran" . "Orap®" . "Visken®" . "Risperdal®" . "(-)-MRI-1867" . "CC-122" . "CC122" . "Compound A [WO2014039960A1]" . "MW01-18-150SRM" . "compound 11 [PMID: 30978288]" . "MW-150" . "compound 8 [PMID: 25676389]" . "compound 27 [WO2014145485A2]" . "BIIB098" . "ALKS8700" . "ALKS-8700" . "Vumerity®" . "compound 19 [PMID: 31539241]" . "SIAIS-178" . "compound 34 [PMID: 31609613]" . "LASW-1393" . "example 69 [WO2016179460A1]" . "(3β,5β,17β)-3-hydroxyandrostane-17-carbonitrile" . "B260" . "ACE-536" . "ACE536" . "Reblozyl®" . "BM-51052" . "obelin" . "MRS-1191" . "SK&F-92676-A3" . "SQ-26655" . "GR-63799" . "L-644698" . "L-741742" . "LS-125843" . "tiospyrone" . "NBI 42902" . "WIN55,212-2" . "SR-58611A" . "TCMDC-134847" . "PD-176252" . "VUF-8507" . "5-MT" . "VUF 8507" . "NF-157" . "VUF-4904" . "CGS-12066A" . "CGS-12066B" . "VUF4904" . "VRT325" . "VRT 325" . "SK-39162" . "SK&F-39162" . "BIIE 0246" . "RS-100235" . "BMY-45778" . "MRS-2496" . "YM-58483" . "TP-003" . "DP-5-CT" . "DP5CT" . "N,N-dipropylcarboxamidotryptamine" . "TP 003" . "lysergole" . "KB-11822" . "BAY-279955" . "TAK-652" . "TAK 652" . "TAK652" . "SB-218795" . "KB141" . "KB 141" . "MRS-1097" . "6-dipropylaminotetralin-1-ol" . "HOE-36801" . "1-(m-chlorophenyl)piperazine" . "ICI-118587" . "CAY-10471" . "L-371257" . "RP-67580" . "SB-235375" . "MK-341" . "brolamfetamine" . "RPR-121154" . "NVP SAA164" . "EP4A" . "MRS-2298" . "GW597588B" . "YM-218" . "meta chlorophenyl piperazine" . "JB-98064" . "SDZ-64412" . "NF 340" . "DM5-HT" . "EGYT-3886" . "A-61603" . "mesoyohimbine" . "isoyohimbine" . "corynine" . "quebrachin" . "yohimbin" . "A 61603" . "Dihydergot" . "Dirgotarl" . "Ergomimet" . "Ergotonin" . "Orstanorm" . "CX-516" . "Methysergid" . "Metisergide" . "1-methylmethylergonovine" . "(+-)-athymil" . "[D-Ala2, D-Leu5]-enkephalin" . "Oxylazine" . "Mellerette" . "Rhinofrenol" . "oxymethazoline" . "Malloryl" . "Melleretten" . "thioridazin" . "aphrosol" . "Setous" . "lodopin" . "spiroperidol" . "spiropitan" . "5-methoxytryptamine" . "mexamine" . "ME-4" . "U 62066" . "D-lysergic acid" . "isolysergic acid" . "dimethylserotonin" . "N,N-dimethyl-5-HT" . "N,N-dimethylserotonin" . "Deseril®" . "quebrachine" . "AL8810" . "AL 8810" . "ATC 0175" . "MRE-2029F20" . "U-75302" . "BMS-204352" . "BMS204352" . "BMS 204352" . "A 967079" . "JCF-109" . "PD-134,308" . "S-9947" . "GYKI-52466" . "NBI-27914" . "PD-136450" . "LS-55819" . "LY-294002" . "PD-136,450" . "PD 136450" . "MRS-1088" . "NSC-74876" . "BAY-607550" . "YM-49598" . "MRS-2698" . "2'-amino-2-thio-UTP" . "MGS 0028" . "MGS-0039" . "MGS 0039" . "4-aminocrotonic acid" . "PD 134308" . "carboxymethoxylamine" . "amoxepine" . "MeODMT" . "bisindolymaleimide IX" . "T 0070907" . "TC-2403" . "TC 2403" . "TC2403" . "GW-0742X" . "MGS-0028" . "CGP71683A" . "4-DOI" . "LY237733" . "compound 3b [PMID: 27839918]" . "AL3818" . "AL-3818" . "AL 3818" . "Bevyxxa®" . "N-1-isopropyl-5-methoxytryptamine" . "2,5-dimethoxy-4-bromoamphetamine" . "PRT054021" . "PRT-054021" . "STP" . "PRT 054021" . "compound 11 [PMID: 19297154]" . "Triptodur®" . "Trelstar®" . "Pamorelin®" . "compound 5g [PMID: 21481589]" . "HM 50316" . "compound 19 [PMID: 24095010]" . "Tremfya®" . "PF04457845" . "compound 14 [PMID: 19136975]" . "Nerlynx®" . "n-pentanoic acid" . "compound 1c [PMID: 28613862]" . "compound 4 [Ng et al., 2013]" . "Effi-7" . "clodronate" . "Bonefos®" . "Clasteon ®" . "Loron®" . "PDL1" . "B7-H1" . "amitryptiline" . "amoxipine" . "LY248686" . "B7 homolog 1" . "programmed death ligand 1" . "B7H1" . "CQ 32085" . "SR-12813" . "PD1-PDL1 inhibitor 2" . "compound 2c [PMID: 28613862]" . "Bodipy[558/568]Pirenzepine" . "Damitriptyline" . "Flavyl" . "Lantron" . "Seroten" . "Ergobasine" . "Ergoklinine" . "Ergometrin" . "Ergometrine" . "Ergostetrine" . "Ergotocine" . "Margonovine" . "Neofemergen" . "Secacornin" . "Secometri" . "Ergostat" . "Ergotamin" . "Cornutamin" . "Ergotartrat" . "Ergotartrate" . "Femergin" . "Gynergen" . "Migretamine" . "Methergen" . "Methergin" . "Norforms" . "methylergobasin" . "Methylergonovin" . "Perfenazine" . "5-methoxydimethyltryptamine" . "compound 2 [PMID: 27983835]" . "Methergine®" . "Otx" . "Olumiant®" . "GSK573719A" . "pyrazole 9 [PMID: 19630403]" . "PF2545920" . "compound 6 [PMID: 28425720]" . "TEW-7197" . "NOV-1301" . "MP-10" . "PF-02545920" . "Idhifa®" . "Example 230 [US7858621]" . "PXT 002331" . "PXT-002331" . "KANAb071" . "E6071" . "example 36 [WO2013130892]" . "A-110" . "CAY10441" . "HBGF-3" . "INT2" . "fibroblast growth factor 3" . "(S)-2-chlorosuccinic acid" . "BOL-303259-X" . "PF-3187207" . "NCX-116" . "Plivensia (proposed trade name)" . "CAM2038" . "TAK-228" . "A-77636" . "RG6114" . "GDC0077" . "Ro7113755" . "RO 7113755" . "ATN-103" . "Aimovig®" . "Ikervis® (opthalmic solution)" . "Evenity®" . "[125I]N,N-diethyllysergamide" . "SB-656104" . "H 87-07" . "NE97221" . "NE-97221" . "SB-258,585" . "SB-258585" . "[3H]lysergic acid diethylamide" . "[3H]lysergide" . "SB 207256" . "SB 207266" . "SB207256" . "HTF 919" . "SDZ HTF 919" . "SB-271,046" . "SB-228357" . "SC-53116" . "SC53116" . "SB228357" . "U-62066" . "BRL 24924" . "BRL-24924" . "GR 125487" . "RO 116 0086" . "RO 116-0086" . "RS 116-0086" . "RO 116-1148" . "T-2328" . "ICF 205-930" . "ICS 205930" . "TC-5619" . "tropisteron" . "[125I]lysergamid" . "[125I]lysergic acid diethylamide" . "[125I]lysergide" . "(+)-ADTN (aminotetralin-6,7-diol)" . "CGS 12066B" . "TC5619" . "Ro-84304" . "CI977" . "LY 79907" . "GNF-Pf-3515" . "BMS-753" . "Ro-405967-001" . "SCH-51866" . "MRS-2179" . "6-chloromelatonin" . "YM-44778" . "CP-94253" . "LRX-15" . "cyproheptidine" . "6-ECDCA" . "C10967" . "OCA" . "RU-28362" . "S-(+)-aceclidine" . "R-(-)-aceclidine" . "UDP glucuronic acid" . "dihydroergokryptine" . "ACh" . "Alimix" . "Propulsin" . "Acpulsif" . "Alipride" . "Cisapron" . "Prepulsid" . "Anarexol" . "Cyproheptadiene" . "Beneficat" . "Periactine" . "2-br-LSD" . "Trazodon" . "Trazodil" . "Trazonil" . "Zelmac" . "NGB-2904" . "2-bromolysergic acid diethylamide" . "bromolysergide" . "[3H]N,N-diethyllysergamide" . "3-indolepropionicacid" . "FR-194921" . "FR 194921" . "FR-190997" . "FR 190997" . "FP 0429" . "FP-0429" . "FMS 586" . "FMS-586" . "EXP-3174" . "AGN-93109" . "Ro 28-2653" . "T 2328" . "CGP-71683A" . "A 438079" . "A582941" . "PG 01" . "QRX-431" . "MRS-1062" . "LS-83786" . "phenacyl-UDP" . "A-425619" . "A 425619" . "SID 7969543" . "LY-237733" . "PD 149164" . "MRS-1186" . "A 778317" . "ONO-AE3240" . "AMG-628" . "AMG 628" . "SR-95531" . "WY-21901" . "JYL-1421" . "SC-0030" . "SC0030" . "SB-452533" . "SB 452533" . "EP-171" . "NS-3728" . "OPC-4392" . "4-diphenylacetoxy-1,1-dimethylpiperidinium" . "pilocarpin" . "4-fluorohexahydrosiladifenidol" . "p-pluorohexahydrosiladyphenidol" . "E-3174" . "EXP 3174" . "methylarecaiden" . "methylarecaidin" . "taeniolin" . "GNF-Pf-1864" . "TCMDC-124251" . "S-24014" . "SCH-206272" . "LY-86057" . "WIN-64338" . "SB-366791" . "SB 366791" . "NS 3728" . "MT2" . "MT1" . "MT3" . "PF-5230896" . "luspatercept-aamt" . "ZP1848" . "ZP-1848" . "Kynmobi® (sublingual film)" . "SAR 101099" . "SAR-101099" . "compound 20 [PMID: 32250617]" . "MRTX-849" . "GS-9688" . "GS9688" . "compound (R)-7 [PMID: 32407112]" . "pilokarpin" . "C4.6,S1-cyclo[N-(3-sulfanylpropanoyl)-D-tryptophyl-L-isoleucyl-L-alloisoleucyl-L-asparaginyl-L-2-aminobutanoyl-N-methyl-L-ornithinol]" . "FE-200440" . "Hhsi-difenidol" . "FE 200 440" . "hexahydro-sila-diphenidol" . "exendin(9-39)" . "m1-toxin 1" . "[3H]N-methylscopolamine" . "[3H]quinuclidinylbenzilate" . "FE203799" . "RT-400" . "JNJ-39588146" . "hyoscyamine" . "JNJ-9588146" . "stresscopin" . "Vasoactive intestinal octacosapeptide" . "Invicorp® (aviptadil + phentolamine)" . "FF" . "Veramyst" . "Avamys" . "Arnuity Ellipta" . "BNO" . "10,11-dimethoxy strychnine" . "Flonase Sensimist" . "sanaseed" . "IRT-101" . "strychnin" . "np2 enkephalin" . "thiachrome" . "opioid growth factor (OGF)" . "1-5 Adrenorphin" . "Ru-24756" . "Claforan®" . "BB-K8" . "AMK" . "vincamidol" . "Amikin®" . "Amoxil®" . "Trimox®" . "[3H](-)N-methyl-3-quinuclidinyl benzilate" . "[3H]RP-62203" . "NG95" . "[3H](1-methyl-4-piperidyl) 2-hydroxy-2,2-diphenyl-acetate" . "[3H]1-Methyl-4-piperidyl diphenylglycolate" . "[3H]enpiperate" . "Moxatag®" . "Beldavrin" . "Euscopol" . "co-amoxiclav (amoxicillin + clavulanic acid)" . "Kwells" . "BRL-2333" . "Tranaxine" . "NSC-277174" . "pragmoline" . "KS-R1" . "Tremblex®" . "hyoscine" . "hyosol" . "Penbritin®" . "aminobenzylpenicillin" . "Principen®" . "Polycillin" . "Lilly 99638" . "Ceclor®" . "Raniclor®" . "Suprax®" . "FK-027" . "FR-17027" . "(E)-Cefixime" . "CFIX" . "Cefspan®" . "PPI-0903" . "TAK-599" . "Teflaro®" . "Zinforo®" . "Ceftin®" . "Kefurox®" . "Zinacef®" . "CXM" . "Brolene®" . "Tauvid®" . "Cetraxal®" . "Ciloxan®" . "CPFX" . "Cipro®" . "Proquin XR" . "BAY-O-9867" . "BAY-O9867" . "A-56268" . "ABBOTT-56268" . "TE-031" . "TE031" . "Biaxin®" . "6-O-methylerythromycin" . "Klaricid®" . "LY-146032" . "LY146032" . "Cubicin®" . "Declomycin®" . "Ledermycin®" . "L-749345" . "MK-0826" . "methylisobutylxanthine" . "NS 8593" . "NS-8593" . "CGS-19755" . "Hdmppa" . "BX-741" . "(R,S)-2-phenylhydroxypropynyl-NECA" . "2-(3-hydroxy-3-phenyl)propyn-1-yladenosine-5'-N-ethyluronamide" . "B. martensi Karsch toxin" . "A317920" . "2Cl-Ado" . "CADO" . "A-438079" . "A 317567" . "A-839977" . "A 839977" . "2-chloro-N(6)cyclopentyladenosine" . "5'-N-ethylcarboxamidoadenosine" . "AM-251" . "AM 251" . "ALX-1393" . "2-phenylethynyl-NECA" . "ALX1393" . "N(6)-cyclopentyladenosine" . "CGS 15943A" . "BHT920" . "B-HT920" . "[3H]RP62203" . "ALKS33" . "RP 52770" . "A304121" . "JTT-501" . "A 304121" . "ZK-756326" . "A119637" . "A 119637" . "A123189" . "A 123189" . "A-286982" . "A 286982" . "4',5-dihydroxy-7-methoxyflavanone" . "CGP-53353" . "ATC-0065" . "ATC 0065" . "ICI-118551" . "Go-6893" . "DPMA" . "imidobenzyle" . "Cafipel" . "Coffeine" . "Koffein" . "Mateina" . "Doraphyllin" . "Elixophyllin" . "Elixophylline" . "Liquophylline" . "norizalpinin" . "CGP-64213" . "GW 7845" . "3,5,7-trihydroxyflavone" . "3,5,7-triOH-flavone" . "1,3-DPCPX" . "4-flavanone" . "flavonoid" . "2,3-dihydroflavone" . "GW-7845" . "L-366948" . "BI-6015" . "SK-96365" . "GSK 962040" . "SN-6999" . "GSK962040" . "GSK 0660" . "GSK-0660" . "GR-175737" . "GR175737" . "ICI-198615" . "ICI 198615" . "A674563" . "ABT299" . "AC 260584" . "AC260584" . "MRS-2690" . "ABT-229" . "ABT 229" . "BAY-412272" . "CL-316243" . "NKY-80" . "adenylyl cyclase type V Inhibitor" . "SR-59230A" . "PSB 603" . "PSB-603" . "TL 32711" . "BMS-641" . "BMS 641" . "AG-1478" . "U-73122" . "Diacomit ®" . "4alpha-phorbol-didecanoate" . "LG-100268" . "L-765,314" . "L-690330" . "L 690330" . "L-690,330" . "ABT-594" . "ABT594" . "CGP-35348" . "AF-353" . "AF 353" . "CGP-71872" . "FUB-359" . "FUB359" . "GW632580X" . "CP293019" . "CP 293019" . "SB-203186" . "glycine betaine" . "PNU-120,596" . "Madopar®" . "N6-2-(4-aminophenyl)ethyladenosine" . "LY-288512" . "CB-DMB" . "methyltheobromine" . "PIGF" . "2-(4-methoxyphenyl)adenosine" . "CGP-54626" . "MRS-1505" . "CV 1674" . "NSC 310669" . "YM-09151-2" . "MRS-1086" . "[3H]N6-2-(4-aminophenyl)ethyladenosine" . "MK2894" . "6-OH-MLT" . "[3H]adenosine-5'-(N-ethylcarboxamide)" . "MK 2894" . "TL-32711" . "Prolopa" . "1,3-dipropylxanthine" . "2-phenylaminoadenosine" . "TNF30" . "[3H]xanthine amine congener" . "[125I]5-[6-[(4-aminophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyl-oxolane-2-carboxamide" . "[125I]N(6)-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide" . "1,3-diethyl-8-phenylxanthine" . "DPX" . "BW-A522" . "BW-72386" . "UCS15A" . "RhuMAB IFNalpha" . "[125I]3-(3,4-aminobenzyl)-8-(4-oxyacetate)phenyl-1-propyl-xanthine" . "alloxazin" . "isoalloxazine" . "N6-(4-amino-3-iodobenzyl)adenosine" . "[125I]iodocyanopindolol" . "(R)-(-)-niguldipine" . "PXT002331" . "TNF 30" . "orexin b" . "desmethoxykhellin" . "rhuMAb interferon-α" . "L-epinephrine" . "9F3v13" . "Dioxin" . "2,3,7,8-Tetrachlorodibenzo-p-dioxin" . "levoepinephrine" . "2,5-dimethoxynorephedrine" . "compound 56 [PMID: 27992216]" . "compound 92 [WO2016101885]" . "acylated aminothiophene nitrile" . "Besponsa®" . "PF-04171327" . "PF-00251802" . "ZK-245186" . "BOL-303242-X" . "ZK 245186" . "ZK245186" . "REGN1193" . "REGN-1193" . "Eptifibatide Accord (generic)" . "ADS-5102" . "Gocovri®" . "LY315920" . "LY-315920" . "S-5920" . "S 5920" . "varespladib methyl (A-002)" . "varespladib sodium (A-001)" . "compound 6m [PMID: 8978844]" . "Evoxac®" . "Aliqopa®" . "SHR1258" . "SHR-1258" . "SHR 1258" . "compound 12 [PMID: 28115222]" . "ONO-4482" . "compound 3 [PMID: 18642892]" . "example 189 [WO2015150995]" . "example 38 [PMID:28498658]" . "compound 40 [PMID: 28498658]" . "PF06650833" . "compound 1c [PMID: 22003428]" . "MK-8931" . "MK8931" . "MK 8931" . "NOX-A12" . "AQX1125" . "ARA 290" . "ARA290" . "ARA-290" . "PHBSP" . "PH-BSP" . "AZD-2098" . "compound 47 [PMID: 28947948]" . "AZD-1678" . "compound 49 [PMID: 28947948]" . "GSK766994" . "GSK-766994" . "GW-766994" . "compound 15m [PMID: 28937774]" . "H. polygyrus Alarmin Release Inhibitor" . "ARQ-092" . "HMPL-013" . "BAY1161909" . "PQR309" . "PQR-309" . "I-BET-762" . "SM04690" . "SM0-4690" . "PAC-14028" . "VE-822" . "AZD5363" . "JTE-052" . "JTE052" . "RG7845" . "MORAb-022" . "CC-220" . "MM-111" . "BGB-283" . "PF-2545920" . "ALX-101" . "G1T28" . "EW-7197" . "WBI 1001" . "WBI-1001" . "GSK2894512" . "WB-1001" . "GSK-2894512" . "GI 254023X" . "GI-254023X" . "MK-429" . "compound 6 [PMID:14561098]" . "Paludrine®" . "Verzenios®" . "RN 1734" . "RN-1734" . "RS-67333" . "norepinephrine" . "S 26284" . "S 3969" . "ICI-169369" . "RX-821002" . "MRS-1067" . "UBP 302" . "UBP-302" . "UBP-310" . "UBP 310" . "MRS-1093" . "SB 216469" . "RS-100975" . "LY-334362" . "WB-4101" . "WB4101" . "UCL-1684" . "SAR302503" . "TG-101348" . "MK0249" . "IDN-6556" . "palmitamide MEA" . "Ro-1151240190" . "SK&F-83566" . "afimoxifene" . "NS-309" . "ICI-174864" . "LY-288513" . "SB-222200" . "LY-165163" . "R-5808" . "R-108512" . "R-093877" . "SDZ-205557" . "Ro-046790" . "UK14,304" . "MPV 1440" . "Tral®" . "MRS-1042" . "MRE-3010F20" . "Bayer 1470" . "LK-204545" . "S-2395" . "P-113" . "deoxycholate" . "ATX-101" . "2-methoxyidazoxan" . "[3H]2-methoxyidazoxan" . "RP333" . "Narcoxyl" . "SK&F-82526J" . "CGP-36742" . "TA 064" . "luteinizing hormone" . "SR-48527" . "ethyketazocine" . "WIN-35,197-2" . "MRS-2693" . "Guanfacina" . "Catapres-TTS" . "SB 357134" . "Adesipress" . "Catapresan" . "Catarpres-TTS" . "Clonidin" . "SB-357134" . "WEB 2086 BS" . "Metossamina" . "Metoxamina" . "Pseudomethoxamine" . "SB 236057" . "dibasin" . "fentolamin" . "Mezaton" . "Norepirenamine" . "m-oxedrine" . "Visadron" . "metasynephrine" . "Vasoflex" . "prazosine" . "SB-236057" . "Adrenor" . "Arterenol" . "Levarterenol" . "Norartrinal" . "Levophed" . "FR-167344" . "Xylapan" . "Xylasol" . "Xylzin" . "Rompun" . "Dobutrex®" . "Inotrex®" . "Estulic®" . "Tenex®" . "Rogitine®" . "5 methylurapidil" . "5-methyl-urapidil" . "SB219994" . "SB 219994" . "BRN 5989341" . "TC2559" . "VPC 23019" . "VPC-23019" . "VUF 5574" . "VUF-5574" . "YM-976" . "YM 976" . "human urotensin-II (4-11)" . "WS 12" . "WS 23" . "L-366509" . "WS 3" . "WAY 855" . "UCL-1848" . "(-)-SNAP-5089" . "SLV320" . "SLV-320" . "SLV 320" . "cinnamic aldehyde" . "SKF-89976A" . "SKF 89976A" . "SB-209670" . "SB-224289" . "S-18986" . "S 18986" . "RO-3" . "PD-173074" . "PD 173074" . "Ro 12-4824" . "NNC 55-0396" . "LY-456236" . "LY-456066" . "LY-307452" . "hPWTSR" . "GNF-Pf-2156" . "LY-303870" . "isoproterenol" . "CGP 7760B" . "SAR-439859" . "(-)[125I]iodocyanopindolol" . "CGP-20712A" . "N-isopropyl-phenoxypropanolamine" . "SR 59,230A" . "PD-164333" . "MK0429" . "Naphthiridinone degrader 6" . "compound 21 [PMID: 15027863]" . "suxamethonium" . "BRN 2272923" . "Brukinsa®" . "hSel001" . "SK&F 16805-A" . "SEG101" . "crizanlizumab-tmca" . "Adakveo®" . "DQ 2466" . "SKF 105517" . "SL 75-177-10" . "VX-445" . "VX-659" . "VX659" . "compound 1 [WO2018064632A1]" . "Compound 1 [WO2018107100A1]" . "SKA 111" . "SKA111" . "TEPP46" . "ML265" . "ML-265" . "compound 46 [PMID: 20451379]" . "DASA58" . "ML203" . "ML-203" . "compound 1 [PMID: 21958545]" . "GBT440" . "GBT-440" . "Oxbryta®" . "compound 36 [PMID: 28337324]" . "SCDO1" . "GR 33343X" . "Rova-T" . "SC0001-SCX" . "compound 7 [PMID: 31751136]" . "MS-432" . "compound 23 [PMID: 31730343]" . "ARV771" . "ERD308" . "compound 32 [PMID: 30990042]" . "SAR 439859" . "compound 43d [PMID: 31721572]" . "colon-derived SUSD2 binding factor" . "Aludrine" . "Assiprenol" . "Bellasthman" . "Isopropydrin" . "Norisodrine" . "Respifral" . "Asiprenol" . "Isoprenalin" . "Cuxanorm" . "Fenoterolum" . "Partusisten" . "Phenoterol" . "Alfeprol" . "Alpheprol" . "Atehexal" . "Ibinolo" . "antimicrobial peptide-57" . "TAS120" . "compound 11 [PMID: 30212625]" . "Prenormine" . "Selobloc" . "Tenoblock" . "Bupranol" . "Biophedrin" . "Ephedremal" . "Ephedrital" . "Ephedrol" . "Ephedrosan" . "Fedrin" . "terbutalin" . "Sanedrine" . "Mandrin" . "Lopresoretic" . "Bricyn" . "Preblok" . "Seloken" . "Spesicor" . "Beatrolol" . "Presolol" . "corzide" . "Dalzic" . "Eraldin" . "ABBV/GLPG-3221" . "Teranol" . "Proventil" . "compound 19 [PMID: 31749908]" . "Novosalmol" . "Salbuhexal" . "Bricar" . "Bricaril" . "VX809" . "Normiten®" . "Myocord®" . "albuterol" . "Ventolin®" . "N-valeric acid" . "AS252424" . "AS 252424" . "compound 26 [PMID: 16789742]" . "compound 11 [PMID: 31804827]" . "compound 11a [PMID: 31811124]" . "ONO2570366" . "compound 1 [PMID: 25793650]" . "MR31147" . "RS67333" . "RS67, 333" . "JNJ27141491" . "(S)-17 [PMID: 31790581]" . "UCM05194" . "UCM 05194" . "azasulfuryl-p-fluorophenylalanine-4-[As(4-F)F4]-GHRP-6" . "[As(4-F)F4]-GHRP-6" . "H-His-D-Trp-Ala-(4-F)AsF-D-Phe-Lys-NH2" . "Topiloric" . "Uriadec" . "Ubrelvy®" . "Dayvigo®" . "Caplyta®" . "PAK4-IN-1" . "KPT9274" . "AZD-5069" . "Pfizer compound 1" . "conducton" . "BRN 1887243" . "Suacron" . "litorine" . "SB-290157" . "W-6421A" . "human complement protein" . "IRL-2500" . "CV-11974" . "MMV006172" . "JNJ-1930942" . "NS-1738" . "SR 47436" . "ER-819762" . "DuP 753" . "NF-546" . "CX-546" . "Cgp 42112B" . "Cgp-42112A" . "[p-aminoPhe6] angiotensin II" . "angiotensin 1-7" . "Belsomra®" . "MK-473" . "SYM 2081" . "[D-Phe6,Statine13]Bombesin(6-14)" . "FK-480" . "D-[Lys,Lys,des-Arg9]bradykinin" . "[Lys,Lys]bradykinin" . "Met-kallidin" . "[Ile,Ser]bradykinin" . "D-[Lys,des-Arg9]bradykinin" . "[Lys,Leu8,des-Arg9]bradykinin" . "[N-methylglycine,D-Phe8,des-Arg9]bradykinin" . "[sarcosine,D-Phe8,des-Arg9]bradykinin" . "[Lys,des-Arg9]bradykinin" . "kallidin1-9" . "[Ile,Ser,des-Arg9]bradykinin" . "[des-Arg9]BK" . "GW 873140" . "[Lys,des-Phe8,Arg9]bradykinin" . "[des-Pro7,Phe8,Arg9]Lys-bradykinin" . "kinin 9" . "ZK 200775" . "Lysyl-bradykinin" . "[Lys]bradykinin" . "N-acetylated-[Lys,MeAla6,Leu8,des-Arg9]bradykinin" . "Ac-[MeAla6,Leu8,des-Arg9]kallidin" . "Lys-Lys-[Hyp3, Igl5, D-Igl7, Oic8]des-Arg9-BK" . "ZK-200775" . "ZK200775" . "LY-404,187" . "D-Arg[Hyp3,trans-4-propoxy-D-proline(transpropyl)7,Oic8]bradykinin" . "[D-Arg(Hyp3,D-Hyp7(transpropyl),Oic8)des-Arg9]bradykinin" . "des-Arg9 fragment of NPC 17731" . "[Ac-Lys-[d-βNal7,Ile8]des-Arg9]bradykinin" . "(+)-alpha-methylphenylethylamine" . "LY 404187" . "LY-404187" . "cholesteryl sulfate " . "[D-Arg-[Hyp3,Thi5,D-Tic7,Oic8]-des-Arg9]bradykinin" . "[des-Arg10]HOE140" . "MK-954" . "L-bunolol" . "lithocholate" . "des-arginine(9)-bradykinin" . "L-838417" . "LY-233053" . "LY-339434" . "LY-466195" . "NF-023" . "NS-O04" . "NS-3763" . "NS-5818" . "RN-1747" . "RN 1747" . "Ro-154513" . "Ro-194603" . "RY-024" . "SYM-2081" . "LU-02030" . "MK-0928" . "FC-1157a" . "SL-80.0750-23N" . "CZC-24832" . "farnesylthiosalicylic acid" . "FK 480" . "GSK172981" . "GSK-172981" . "GSK-256471" . "GNF-Pf-1778" . "IBC-293" . "duvoglustat" . "AT-2220" . "aceneuramic acid" . "2-oxoisohexanoate" . "alpha-oxoisohexanoate" . "ORG-25543" . "LY 2365109" . "LY303870" . "LY 303870" . "M-iodobenzyltrozamicol" . "MK 6096" . "NS-1619" . "SU-11274" . "PD-154740" . "PD154740" . "pimagedine" . "veliflapon" . "DG-031" . "PG 01037" . "PG-01037" . "Primaxin®" . "SB-414240" . "SB414240" . "RO-201724" . "THRX-160209" . "THRX 160209" . "des-Arg(9)-BK" . "Lys-Lys-[Hyp(3), CpG(5), D-Tic(7), CpG(8)]des-Arg(9)-BK" . "D-Arg-[Hyp3,Thi5,D-Tic7,Oic8]BK" . "HOE 140" . "HOE140" . "RMP-7" . "[Hyp3,Thi5,4-Me-Tyr8ψ(CH2-NH)Arg9]bradykinin" . "regulated upon activation normal T cell expressed and secreted (RANTES)" . "[D-Arg0,Hyp2,3,Thi5,8,D-Phe7]bradykinin" . "[D-Arg0,Hyp3,D-Phe7]bradykinin" . "LF 16-0687" . "LY-382884" . "LY-503430" . "Ro-4938581" . "acetyl-(Asn30,Tyr32)-calcitonin8-32" . "salmon calcitonin (8-32)" . "Tyr0α-calcitonin gene-related peptide (human)" . "[cys(Et)2,7]α-calcitonin gene-related peptide (human)" . "rat α-calcitonin gene-related peptide" . "rat β-calcitonin gene-related peptide" . "[Cys(ACM)2,7]-calcitonin gene-related peptide" . "human α-calcitonin gene-related peptide (8-37)" . "rat α-calcitonin gene-related peptide (8-37)" . "CP 734432" . "CP-734432" . "rat adrenomedullin (11-50)" . "rat adrenomedullin (20-50)" . "human adrenomedullin (22-52)" . "XCT 790" . "XCT-790" . "compound 3 [Huang et al., 2017]" . "Kyntheum®" . "2-Ara-Gl" . "BAY-613606" . "2-arachidonyl-glycerol" . "BAY61-3606" . "BAY-61-3606" . "Syk inhibitor IV" . "BI-6727" . "Win 55,212" . "Win 55212-2" . "Win-55212-2" . "LY-566332" . "A 281" . "SR 141716" . "LY566332" . "LS-193061" . "LY-2389575" . "LY 2389575" . "BP-LD78α" . "BP-MIP-1α" . "photoactivatable macrophage inflammatory protein-1α" . "CKβ1" . "Zilretta®" . "Calquence®" . "AL 6802" . "AL-6802" . "ckβ8-1" . "myeloid progenitor inhibitor factor-1" . "MIP-1α" . "MIP-1β" . "macrophage inflammatory protein-1β" . "Flu-LD78α" . "Flu-MIP-1α" . "fluorescent macrophage inflammatory protein-1α" . "[125I]MCAF" . "[125I]MCP-1" . "[125I]monocyte chemotactic protein-1" . "[125I]MIP-1α" . "[125I]macrophage inflammatory protein-1α" . "haemofiltrate CC chemokine 1 (HCC-1)" . "GW873140A" . "α-calcitonin gene-related peptide (αCGRP, human)" . "β-calcitonin gene-related peptide" . "AL6802" . "SIM 6802" . "Kisplyx®" . "Supect®" . "Nootropil®" . "Vyzulta®" . "Apoquel® (veterinary use)" . "PF-03394197" . "GLPG-0778" . "GLPG0778" . "GSK2586184" . "compound 1 [WO2010149771]" . "compound 27b [PMID: 27527804]" . "AVE0991" . "AVE-0991" . "compound 63 [WO2016048861]" . "CX-549" . "compound 11a [Reed et al., 2017)" . "Fasenra®" . "EBI-005" . "ABBV-066" . "AM-2201" . "JWH018" . "JWH 018" . "BMS986205" . "EGCG" . "FK506" . "compound 18e [PMID: 26258437]" . "Livial" . "Tibofem" . "Boltin" . "Org OD 14" . "JNJ-479655" . "JNJ47965567" . "Hp-TGM" . "Hp-TGM" . "chloroguanide" . "eut-22" . "BI 6901" . "BI6901" . "(R)-39" . "BI-653048" . "BI653048" . "BI 653048 BS H3PO4" . "compound 69 [PMID: 25671290]" . "BI-665915" . "BI665915" . "CEP37440" . "[125I]RANTES" . "macrophage inflammatory protein-1α" . "[125I]regulated upon activation normal T cell expressed and secreted" . "[125I]MCP-3" . "THCV" . "[125I]monocyte chemotactic protein-3" . "[125I]MCP-2" . "[125I]monocyte chemotactic protein-2" . "eotaxin" . "monocyte chemotactic protein-4" . "monocyte chemotactic protein-2" . "viral CCL4" . "eotaxin-2" . "MIP-4α" . "PTEC" . "murine eotaxin" . "Met-chemokine β 7" . "[125I]eotaxin" . "TARC" . "thymus- and activation-regulated chemokine" . "YF 476" . "STCP1" . "YF476" . "dc/β-ck" . "macrophage-derived chemokine" . "[125I]MIP-1β" . "[125I]macrophage inflammatory protein-1β" . "YIL 781" . "[3H]SCH 351125" . "XEN 907" . "[3H]Sch-351125" . "[3H]UK 427,857" . "[3H]UK-427,857" . "XEN-907" . "BMS-540215" . "GSK1838705A" . "AK-602" . "HKI-272" . "PD-0173955" . "UK-427,857" . "WAY-100,135" . "SCH 417690" . "SCH-D690" . "LARC" . "MIP-3α" . "liver and activation-regulated chemokine" . "macrophage inflammatory protein-3α" . "LARC fused with secreted alkaline phosphatase" . "LARC-SEAP(His)6" . "MIP-3α fused with secreted alkaline phosphatase" . "WAY 100135" . "VUF-8504" . "MIP-3β" . "ckβ11" . "VUF 8504" . "TZD 18" . "TZD-18" . "TCA-4" . "ckβ9" . "TPA 023" . "TCA-3" . "[125I]I-309" . "[125I]P500" . "[125I]TCA-3" . "viral macrophage inflammatory protein" . "125I-NH2-terminal catalytic domain of human tyrosyl-tRNA synthetase" . "TP 680" . "MIP-2" . "melanocyte growth-stimulatory activity" . "interleukin-8" . "[125I]interleukin-8" . "NH2-terminal catalytic domain of human tyrosyl-tRNA synthetase" . "macrophage inflammatory protein-2" . "GROβ" . "MIP-2α" . "GROγ" . "MIP-2β" . "ENA-78" . "GROα" . "[125I]IL-8" . "KC-8857" . "IP9" . "SCH-351125" . "T-0901317" . "T 0901317" . "Ro-673189000" . "R-116031" . "MK-0354" . "STK220090" . "ST024252" . "AG-1295" . "quinoxaline1" . "J-867" . "Ro-320432" . "(R)-VU0463597" . "Ro-4491533" . "methanethiosulfonate ethylammonium" . "R-214127" . "MRS-2220" . "diotyrosine" . "U-32070E" . "Calderol" . "NS-004" . "NS 004" . "SHU-9119" . "SHU 9119" . "UFP102" . "SK&F-105494" . "SKF 105494" . "S-36057" . "Plegridy®" . "PEG-INF-β-1a" . "A 71378" . "ABS212" . "AC-187" . "AF-12198" . "B9430" . "BIM-28163" . "BC254" . "CH-275" . "CGP39393" . "CGP 39393" . "E 2078" . "E-2078" . "FK-224" . "FK224" . "G 4120" . "G-4120" . "RS-26306" . "D-24598" . "GR-138676" . "GR-231118" . "GW-1229" . "JM 3100" . "stromal cell-derived factor-1 (SDF-1)" . "bicyclam JM-2987" . "stromal cell-derived factor-1β" . "SDF-1, 1-17" . "stromal cell-derived factor-1, N-terminal fragment" . "stromal cell-derived factor-1, N-terminal fragment dimer" . "[125I]stromal cell-derived factor-1α" . "[125I]stromal cell-derived factor-1β" . "stromal cell-derived factor-1, N-terminal fragment analogue dimer" . "[L-3-(2-naphthyl)-alanine3]-T134" . "[Tyr5,12,Lys7]-polyphemusin II" . "fractalkine" . "neurotactin" . "[125I]ATAC" . "[125I]SCM-1α" . "[125I]lymphotactin" . "CCRIS 3307" . "Mucosta" . "4-oxoretinoic acid" . "pramipide" . "GR 94800" . "proamipide" . "L-phenylalaninamide" . "PD-134308" . "IQM-97,423" . "BRN 5156082" . "CAM 1189" . "CAM 1028" . "1H-Indole-3-propanoic acid" . "Loxizin" . "FR-120480" . "arachidonoyl GABA" . "SR-27897" . "CR-1409" . "CR-1505" . "TCMDC-125885" . "AG-1296" . "UFP 101" . "interferon beta 1-alpha" . "ABS 201" . "BQ-123" . "RB400" . "Mepron®" . "CR-2945" . "Ayvakit®" . "[125I]-Tyr0-corticotropin" . "[125I]corticotropin" . "α-helical corticotropin" . "Nulsa" . "Milid" . "AMD 3100" . "MK-826" . "Invanz®" . "SMTC 1100" . "SMTC1100" . "5-ethylsulfonyl-NBO" . "SMT C1100" . "compound 4 [Babbs et al., 2020]" . "(±)-4" . "(±)-SMT022357" . "compound 8 [PMID: 32558564]" . "compound 4 [PMID: 32251410]" . "compound 1 [PMID: 32584034]" . "X165" . "CD14152" . "GSK2857916" . "GSK-2857916" . "compound 6 [PMID: 25203558]" . "compound 4 [PMID: 30118224]" . "example 73 [WO2012068109A2]" . "HDAC-IN-1" . "MC-1568" . "compound 2f [PMID: 15857140]" . "CDP7657" . "CDP-7657" . "DZP" . "AF2838" . "AF-2838" . "TAK-264" . "TAK264" . "chloroxacillin" . "Syntarpen®" . "Tegopen®" . "Methocillin S" . "BRL-1621" . "BRL1621" . "M-141" . "U18409" . "U-18409" . "U-18409E" . "Trobicin®" . "BRL14151" . "BRL-14151" . "BRL-14151K" . "clavulanate" . "MOR208" . "Xmab5574" . "MOR-208" . "MOR00208" . "MOR103" . "GSK3196165" . "GSK-3196165" . "MOR-103" . "AMG232" . "KRT-232" . "KRT232" . "compound 2 [PMID: 24456472]" . "TTT3002" . "calcipotriene" . "Calcitrene®" . "GFT-505" . "GFT505" . "almonertinib" . "HS10296" . "Ameile" . "Egfr T790M inhibitor HS-10296" . "example 26 [WO2016054987A1]" . "MBX-8025" . "MBX8025" . "compound 3r [PMID: 17524639]" . "Reyataz®" . "T-705" . "T705" . "latazanavir" . "zrivada" . "BMS-232632" . "BMS 232632" . "CGP 73547" . "CGP-73547" . "butanoic acid" . "GM 109" . "ICI-174,864" . "IRL2500" . "JMV-1116" . "JMV-1431" . "3-hydroxytyramine" . "JMV 180" . "N-0437" . "KE-108" . "KE108" . "K-41498" . "flupenthixol" . "K 41498" . "KH-28" . "JMV-2004" . "JMV-310" . "JMV-431" . "JMV-449" . "JMV-458" . "JMV 641" . "CL 118532" . "emonapride" . "[125I]endothelin-1" . "[125I]endothelin-2" . "[18F]endothelin-1" . "TC-14012" . "S-36077" . "[125I](N-[{hexahydro-1-azepinyl}carbonyl])Leu(1-Me)-DTrp-DTyr" . "[3H]cyc(DTrp-DAsp-Pro-DVal-Leu" . "[3H]E2" . "S 36539" . "S-36539" . "estrogen" . "oestrogen" . "S 36540" . "S-36540" . "S-36541" . "S 36541" . "[3H]fMet-Leu-Phe" . "S 38151" . "linolenate" . "S-38151" . "[125I]cathepsin G" . "PG 901" . "linoleate" . "linolic acid" . "telfairic acid" . "PBP 10" . "oleate" . "cetylic acid" . "palmitate" . "rosiglizole" . "NPC-17731" . "NPC-18565" . "NPC18565" . "MK-678" . "p-chlorophenyl GABA" . "MK678" . "NSC 612113" . "MK 678" . "MBP 10" . "MBP-10" . "L-362823" . "R-396" . "R486" . "R715" . "PMX-205" . "M 372049" . "M-372049" . "M-242" . "L-366875" . "L 363377" . "L 365209" . "MEN-10376" . "ELD-950" . "LY2189265" . "GLP-1Fc" . "EMD-12192" . "TV-5600" . "ABR-215062" . "UCL2138" . "UCL 2138" . "EP-157" . "EP157" . "AG-879" . "AG 879" . "SIM6802" . "BPI-2009H" . "Conmana®" . "NVP-PKI166" . "PKI-166" . "NVP-AEE788" . "AEE 788" . "EKB-569" . "ARRY334543" . "ARRY-334543" . "BIBX 1382" . "BIBX1382" . "AC1480 (free base)" . "A867744" . "A 867744" . "A85380" . "A 192621" . "A 582941" . "A803467" . "A967079" . "AC 55649" . "AC-55649" . "AC90179" . "AC 90179" . "AC 261066" . "AC-261066" . "AD 5075" . "AD-5075" . "AD-7057" . "AD7057" . "AD 7057" . "AD5061" . "AD 5061" . "ADX 71743" . "ADX-71743" . "ADX 88178" . "AZD-1283" . "AZD 1283" . "BD 1047" . "BHF 177" . "BMS-493" . "BMS 493" . "BQ-788" . "BQ 788" . "BX-667" . "BX667" . "BX-048" . "BX048" . "CD 3254" . "CD-3254" . "CD 2665" . "CD-2665" . "MG-149" . "MG 149" . "JNJ 5207852" . "S17092" . "S-17092" . "furan-1" . "K-31440" . "K 31440" . "RB 400" . "CGP 35024" . "SK&F 97541" . "PMX 53" . "M 242" . "L-362855" . "growth hormone-releasing peptide-2" . "Skf 110679" . "growth hormone releasing hexapeptide" . "growth hormone releasing peptide-6" . "EMD-121974" . "human growth hormone releasing hormone (1-29)NH2" . "rat growth hormone releasing hormone (1-29)NH2" . "human growth hormone releasing hormone (1-29)OH" . "gastric inhibitory polypeptide10-30" . "gastric inhibitory polypeptide6-30 amide" . "[3H]SR49059" . "gastric inhibitory polypeptide7-30" . "[125I]gastric inhibitory polypeptide" . "[125I]glucagon-like peptide 1 (7-36)" . "rat glucagon-like peptide 2 (1-29)" . "rat glucagon-like peptide 2 (2-33)" . "human [Tyr34] glucagon-like peptide 2" . "follitropin" . "human follicle stimulating hormone" . "A 317491" . "GnRH" . "gonadoliberin" . "gonadotropin releasing hormone" . "[125I][D-Trp6]GnRH" . "chicken GnRH" . "seabream GnRH" . "frog GnRH" . "ADX-88178" . "glucagon-like peptide 2 (1-33)" . "ethanoic acid" . "isobutyrate" . "propionate" . "AZD-3839" . "[PhAc-Tyr1,D-Arg2,Phe(4-Cl)6,Abu15,Nle27,D-Arg28,Har29]hGH-RH(1-29)NH2" . "[PhAc-Tyr1,D-Arg2,Phe(4-Cl)6,Arg9,Abu15,Nle27,D-Arg28,Har29]hGH-RH(1-29)NH2" . "AZD 3839" . "D-23620" . "BMS 614" . "chlorphenamine" . "BMS-614" . "AM-966" . "AM 966" . "[3H]mepyramine" . "gamma-aminobutyric acid" . "Zirtec" . "Zyrtec" . "LH-RH (LHRH)" . "GH-releasing hexapeptide 6" . "Bigumal®" . "example 3 [WO2007067836]" . "BI 1935" . "BI1935" . "GSK-2256294" . "GSK2256294A" . "GSK-2256294A" . "BIRT-377" . "BIRT377" . "KAE609" . "NITD609" . "OC000459" . "OC459" . "NN9535" . "NN-9535" . "NN 9535" . "LJN452" . "compound 1 [PMID: 29148806]" . "VX-745" . "VRT-031745" . "VD-31745" . "MMV390048" . "KRP-203" . "KRP203" . "compound 2 [PMID: 23124563]" . "INCB 40093" . "compound 67 [PMID: 22924688]" . "example 15 [WO2011008487]" . "INCB40093" . "FE 999301" . "FE-301" . "FE-999301" . "TJ301" . "MK-8031" . "AGN-241689" . "example 4 [US20120122911]" . "hydrocortisone 17-benzoate" . "compound 1 [WO2013071010]" . "MSI-1436" . "MSI1436" . "macrophage inhibitory cytokine-1" . "MIC-1" . "MIC1" . "PTGFB" . "T-614" . "Careram®" . "Kolbet®" . "Iremod" . "DDD107498" . "AC1MCK4S" . "compound 13 [PMID: 23888932]" . "Alomide®" . "Prexxartan® (oral solution)" . "Giapreza®" . "ACE-910" . "ACE910" . "RG6013" . "Hemlibra®" . "Steglatro®" . "Traficet-EN" . "GSK1605786" . "GSK'786" . "EP-1572" . "EP1572" . "AEZS-130" . "AEZS130" . "Aib-DTrp-DgTrp-CHO" . "UMV1843" . "alpha-methylhistamine" . "[3H]SR-49059" . "A 317920" . "CGP-47656" . "benzhydramine" . "dimehydrinate" . "mepiramine" . "CGP47656" . "CP-93129" . "[125I]APT" . "CP93129" . "NSC 307755" . "SK&F 92058" . "YN968D1" . "ICI 125,211" . "E 2012" . "E 4031" . "E 55888" . "(R)-α-MeHA" . "(S)-α-MeHA" . "N-α-MeHA" . "[3H]NAMH" . "1-methylhistamine" . "EVP-6124" . "EVP 6124" . "EVP6124" . "FG5893" . "FG 5893" . "FK453" . "FK 453" . "FPL-64176" . "FPL 64176" . "L 023103" . "MR 12842" . "L-023103" . "L 655708" . "L-655,708" . "LUF 5981" . "histamine-trifluoromethyl-toluidine" . "LUF-5981" . "histamine-trifluoromethyltoluide" . "LUF-5831" . "[125I]LEC" . "[125I]metastin" . "metastin" . "hAc-MCH(6-16)-NH2" . "human Ac-MCH6-16-NH2" . "[125I]-melanin-concentrating hormone" . "[Phe13,Tyr19]-melanin-concentrating hormone" . "MK 0249" . "salmon melanin-concentrating hormone" . "variant melanin-concentraing hormone" . "cyclopropyl-4-phosphonophenylglycine" . "[Ava9,10,Ava14,15]-Ac-hMCH6-16-NH2" . "NS-1643" . "anhistabs" . "antalergan" . "antallergan" . "dorantamin" . "histapyran" . "neoantergan" . "tele-methylhistamine" . "NS 1643" . "PD 123177" . "PD-123177" . "PD 157672" . "PD-157672" . "E-3810 amine" . "E3810" . "PD157,672" . "PD135666" . "PD 135666" . "PSB-1114" . "PSB 1114" . "RU 5135" . "RU-5135" . "S-14,671" . "S 14671" . "S 15535" . "S 26131" . "S 22153" . "S 20928" . "ZK158252" . "U 0126" . "UBP 141" . "UBP-141" . "VUF-5207" . "VUF5207" . "NK-3201" . "NK 3201" . "NAN-190" . "NAN190" . "MNI 136" . "MK 212" . "LY 97241" . "LY-97241" . "LY465608" . "LY 465608" . "LY 344864" . "LY-344864" . "LY 314228" . "LY-314228" . "L165461" . "L 165461" . "L 779976" . "L-779976" . "L 736380" . "L736380" . "L 054522" . "DaTSCAN®" . "123I-ioflupane" . "L 764406" . "L764406" . "L-796,449" . "L 796449" . "L796449" . "K 185" . "KB 74935" . "KM 11060" . "KM-11060" . "LP 403812" . "LP403812" . "LS 192629" . "LS192629" . "LY-233536" . "LY 233536" . "LY 2033298" . "LY-2033298" . "LY 215840" . "LY-215840" . "LY 2087101" . "LY-2087101" . "LY 134046" . "LY-134046" . "LY 2811376" . "F 15599" . "E-2012" . "alpha-methyl-4-carboxyphenylglycine" . "α-melanocyte stimulating hormone" . "melanotan II" . "[Nle4,dPhe7]α-MSH" . "(Ac-cyclo-[Nle4Asp5,D-Nal(2)7,Lys10]α-MSH-(4-10)-NH2)" . "[125I][Nle4,dPhe7]α-MSH" . "agouti-signaling protein [90-132 (L89Y)]" . "agouti-signaling protein[90-132 (L89Y)]" . "cyclic[AcCys3,Nle4,Arg5,D-Nal7,Cys-NH2(11)]alpha-MSH-(3-11)" . "ASIP" . "D-Trp8 γ-melanocyte stimulating hormone" . "alpha-methyl-cpgly" . "GZD-824" . "2-benzyl-N-acetyltryptamine" . "3,5-dihydroxyphenylglycine" . "cromakalin" . "5-hydroxyethoxy-N-acetyltryptamine" . "6-Cl-melatonin" . "6-OH-melatonin" . "2-(125I)Iodomelatonin" . "adrenocorticotropic hormone (1-39)" . "adrenocorticotropic hormone (1-24)" . "adrenocorticotropic hormone (11-24)" . "γ-melanocyte stimulating hormone" . "agouti-related peptide" . "R 138727" . "S-26131" . "S-22153" . "TAK-375" . "S 24014" . "ZK 158252" . "N-(4-phenyltetralin-2-yl)propanamide" . "L-367773" . "S-20928" . "N0774" . "L 367773" . "L-772405" . "L 772405" . "3,4-Cyclopropylglutamate" . "CCPG" . "L-2-(Carboxypropyl)glycine" . "poly-L-glutamate" . "quisqualic acid" . "alpha-Mcpg" . "LY 2119620" . "LY-2119620" . "LY-2811376" . "UPF 523" . "123I-FP-CIT" . "Lumify®" . "Rhokiinsa®" . "NPS 2390" . "BLU-667" . "compound 34 [PMID: 31859507]" . "BAY985" . "cannabidiolic acid methyl ester" . "CBDA-ME" . "HU580" . "CBDA" . "cannabidiol acid" . "AZD-7648" . "compound 16 [PMID: 31851518]" . "BMS compound 1" . "CIM-0216" . "Neulasta®" . "compound 20o [PMID: 31904232]" . "AZD-3965" . "dipyrone" . "CJ-15801" . "GSK3212030A" . "RG-1507" . "RG1507" . "teprotumumab-trbw" . "Tepezza®" . "R1507" . "RV 001" . "RV-001" . "RV001" . "ADX-102" . "ADX102" . "NS-2" . "NS2" . "example 5 [WO2018039197A1]" . "PD118057" . "compound 1 [PMID: 31951127]" . "RG7314" . "RG-7314" . "RO5285119" . "RO-5285119" . "S-adenosyl-L-methionine" . "Gb002" . "structure 2a [WO2014110200A1]" . "PK-10571" . "GB-002" . "A35 [WO2012135160A1]" . "example 3 [WO2015048662A2]" . "ICP022" . "P550" . "compound 10a [PMID: 23301703]" . "Tazverik®" . "Protein kinase inhibitor-(14-22)-amide, myristoylated" . "carboxy-PTIO" . "GSK-2292767" . "GSK 2292767" . "compound 3 [PMID: 26301626]" . "nNOS inhibitor I" . "compound 6 [PMID: 31895569]" . "compound 10 [PMID: 31895569]" . "Gefitinib-based PROTAC 3" . "TAK079" . "compound 1c [PMID: 29649738]" . "S-24773" . "S 24773" . "LY 063518" . "LY-063518" . "α-MSOP" . "[3H]α-9'-xantheylmethyl-2-(carboxycyclopropyl)glycine" . "cesium cation" . "[3H]MLT" . "N-acetylaspartylglutamate" . "1-aminocyclopentane-1,3,4-tricarboxylic acid" . "L-2-amino-4-phosphonobutiric acid" . "1,3-diallyl-8-cyclohexylxanthine" . "LY-108742" . "LY 108742" . "LY 233053" . "dichloro-EBIO" . "LY 303336" . "LY-303336" . "LY-379,268" . "LY 379268" . "LY-341,495" . "phosphonophenylglycine" . "neuropeptide Y (2-36)" . "N-ethyl,N-methyl EM-A enolether" . "4'' deoxy EM-A enolether" . "N-ethyl,N-methyl EM-A" . "EM-A enolether" . "EM-B enolether" . "[Phe3,Leu13]motilin (porcine)" . "human neuromedin U-25" . "porcine neuromedin U-25" . "canine neuromedin U-8" . "porcine neuromedin U-8" . "rat [125I]neuromedin U-23" . "porcine [125I]neuromedin U-8" . "[D.Tyr1,(N.Me)Phe3]NPFF" . "EFW-NPSF" . "frog pancreatic polypeptide" . "LY 341495" . "YVP" . "human [125I]Tyr10-neuropeptide S" . "[125I]neuropeptide W-23" . "[125I][Tyr11]des-Br-neuropeptide B-23" . "AB1010" . "porcine neuropeptide Y" . "porcine neuropeptide Y (13-36)" . "porcine neuropeptide Y (2-36)" . "porcine neuropeptide Y (3-36)" . "bovine pancreatic polypeptide" . "rat peptide YY (13-36)" . "rat peptide tyrosine tyrosine (13-36)" . "human peptide YY (3-36)" . "human peptide tyrosine tyrosine (3-36)" . "INCSHR1210" . "[125I]neuropeptide Y" . "[125I]peptide YY" . "[125I]peptide tyrosine tyrosine" . "[125I]pPYY" . "[3H]neuropeptide Y" . "porcine [Leu31,Pro24] neuropeptide Y" . "porcine [Leu31,Pro34] neuropeptide Y" . "STS-557" . "(S)-4-carboxyphenylglycine" . "Diandrone" . "dienogestrel" . "LY-503,430" . "LY 503430" . "LY-293,284" . "LY-293284" . "LY 293284" . "LY-307,452" . "LY 307452" . "LY-215,840" . "AM 630" . "AM-1241" . "AM 1241" . "BRL-15,572" . "BRL-44408" . "CGP 7930" . "CGP 37849" . "CP-226,269" . "CP 226269" . "CP-93,129" . "GR-113,808" . "GW-803,430" . "GW 803430" . "SB-334,867" . "SB-357,134" . "SB-269,970" . "SB-216,641" . "SB-216641" . "SB-258,719" . "SB-206,553" . "SB-243,213" . "SB-204,741" . "SB-215,505" . "SB-204,070" . "VU-0238429" . "Zorvolex" . "Climaval®" . "ICA 105574" . "ICA105574" . "RPR-260243" . "RPR 260243" . "(20S)-ginsenoside Rg3" . "KB 130015" . "KB130015" . "NS 3623" . "NS-3623" . "VU 0405601" . "VU-0405601" . "ML 213" . "ML-213" . "ML-277" . "ML 277" . "ICA 27243" . "ICA27243" . "Lonasen®" . "AD 5423" . "AD-5423" . "RGH 188" . "RGH-188" . "OPC 34712" . "OPC-34712" . "RDEA594" . "RDEA-594" . "BIW-8405" . "KHK4563" . "MEDI-563" . "CAT-8015" . "GCR-8015" . "HA22" . "PD 118057" . "[Leu31,Pro34] peptide YY" . "[Leu31,Pro34] peptide tyrosine tyrosine" . "human [Leu31,Pro34] peptide YY" . "human [Leu31,Pro34] peptide tyrosine tyrosine" . "AY-25712" . "GW1229" . "large NN" . "[125I]1229U91" . "[125I]GW1229" . "human neuropeptide Y (13-36)" . "porcine neuropeptide Y (16-36)" . "porcine neuropeptide Y (20-36)" . "porcine neuropeptide Y (22-36)" . "porcine neuropeptide Y (26-36)" . "porcine peptide YY (3-36)" . "porcine peptide tyrosine tyrosine (3-36)" . "[D-Trp32] neuropeptide Y" . "human [Pro34] peptide YY" . "human [Pro34] peptide tyrosine tyrosine" . "human pancreatic polypeptide (13-36)" . "human pancreatic polypeptide (2-36)" . "human pancreatic polypeptide (20-36)" . "MSC 2364447" . "human [Ile31,Gln34] pancreatic peptide" . "porcine neuropeptide Y (18-36)" . "[125I]YVP" . "peptide tyrosine tyrosine" . "LY-334,370" . "peptide tyrosine tyrosine" . "peptide YY" . "peptide YY (3-36)" . "peptide tyrosine tyrosine (3-36)" . "LY 334370" . "LY-334370" . "cerebroside" . "[Leu31,Pro34] neuropeptide Y" . "tert-butoxy-carbonyl-Arg-Arg-Pro-D-Tyr-Ile-Leu-OH" . "[125I]NT" . "large NT" . "BRL-37344" . "NN" . "NT" . "PD307243" . "PD 307243" . "reminertant" . "D-sphingosine" . "NDT 9513727" . "NDT-9513727" . "AZD2811" . "niacin" . "vitamin B3" . "vitamin PP" . "nec-1" . "D02753" . "reductol" . "MTH-DL-tryptophan" . "ethyl analogue of acifran" . "Necrostatin 1" . "DADL" . "leucine enkephalin-2-alanine" . "methyl-thiohydantoin-tryptophan" . "MTH-trp" . "DPLPE" . "necrostatin 2 racemate" . "nec-1s" . "DSTLE" . "Dislet" . "M-2951" . "MSC-2364447C" . "M2951" . "NSC707484" . "2-alanyl-leucine enkephalin" . "AZD 8165" . "D-penicillamine (2,5)-enkephalin" . "2,5-pen-enkephalin" . "5-leucine-2-alanine enkephalin" . "MSC2364447C" . "A250 [WO2012170976]" . "MDL-72,974" . "MDL 72974" . "MDL-72974A" . "L19-IL2" . "L19IL2" . "SHR-1210" . "des-His1-[Glu9, Lys24(4 X γGlu), Leu27]glucagon" . "(+)-SJ557733" . "Ex_31" . "SJ 733" . "SJ-733" . "SJ-557733" . "SJ 557733" . "SJ-000557733" . "WR238605" . "US9428508, 96" . "Ex.-2, US9290505" . "compound 21 [PMID: 28287730]" . "MSC2490484A" . "M3814" . "example 136 [WO2014183850]" . "FGF-401" . "Example 83 [US9266883]" . "NVP-FGF401" . "KDR-IN-1" . "XP-23829" . "XP 23829" . "methyl hydrogen fumarate" . "Plag, (+/-)" . "AMD11070" . "CPL-7075" . "CPL7075" . "(+)-SJ000557733" . "SJ 000557733" . "nedisertib (deleted INN)" . "ICI-204448" . "leucine enkephalin" . "LY 389795" . "methionine enkephalin" . "(Ala(2))deltorphin II" . "(Ala(2),glu(4))deltorphin" . "Delt II" . "Delt-II" . "LY-389795" . "AZD-8529" . "paramorphan" . "dynorphin A (1-17)" . "rimorphin" . "AZD 8529" . "AZD 3778" . "AZD-3778" . "AZD-1981" . "AZD 1981" . "AZD6765" . "AZD-6765" . "AR-R15896AR" . "AZD0837" . "AZD-0837" . "AZD 0837" . "atecegatran fexenetil" . "PF-592,379" . "AZD 5672" . "AZD-5672" . "AZD 6703" . "AZD-6703" . "ARL 15896" . "H 376/95" . "KB-105160" . "AZD-9668" . "CeErg4" . "beta-funaltrexamine" . "naltrexone fumarate methyl ester" . "potassium channel toxin gamma-KTx 1.7" . "(-)-WIN 44,441" . "7-benzylidenenaltrexone" . "Bntx-7" . "TIPP-psi" . "naltrindole benzofuran" . "TMFO1" . "2-Ala-4-mephe-5-gly-enkephalin" . "RG3637" . "DAGO" . "glyol" . "CnErg1" . "dynorphin 1-13" . "[Met]-enkephalin" . "dynorphin A (1-11)" . "CnErgTx1" . "N-Me-tyr(1)-N-Me-arg(7)-N-Et-leunh2(8)-dynorphin (1-8)" . "BAY-12-8039" . "N-methyl-Tyr1,N-methyl-Arg7,D-leu8-dynorphin-A(1-8)" . "ergtoxin" . "ergtoxin-like protein 1" . "GR 85571" . "ErgTx" . "potassium channel toxin gamma-KTx 1.1" . "TRK 820" . "ErgTx1" . "Keytruda®" . "JNJ-27018966" . "U 50488" . "U-50488H" . "U50,488" . "Procoralan®" . "Corlentor®" . "Coralan" . "Coraxan" . "nalbzoh" . "divinorin A" . "Ivabid" . "3-N-Me-Phe-morphiceptin" . "Bradia" . "methylmorphine" . "CTOPA" . "Ctop-NH2" . "Dagol" . "nor-bni" . "S-16257" . "VU 591" . "VU-591" . "TNX-650" . "SB-240563" . "MILR1444A" . "AZD9668" . "AZD 9668" . "AZD-0328" . "AZD-1208" . "AZD-2014" . "cc-551" . "MK-1775" . "MK1775" . "AZD-2927" . "AZD-3355" . "AZD3355" . "AZD-3463" . "CS-1382" . "HY-15609" . "KB-154896" . "AZD-4547" . "KB-74810" . "AZD-4877" . "AZD 4877" . "cc-722" . "AZD 5363" . "AZD-5363" . "cc-638" . "AZD-7325" . "AZD 7762" . "AZD-7762" . "amfebutamone" . "AZD-8055" . "AZD 8055" . "AZD-8329" . "AZD 8329" . "AZD 8542" . "AZD-8542" . "AZD8931" . "AZD-8931" . "Z 944" . "AZD-9291" . "AZD 9291" . "ML-218" . "ML 218" . "Z-944" . "ABT639" . "ABT 639" . "AT406" . "QCR-136" . "SM 406" . "A935142" . "A 935142" . "ABT 239" . "AZD-8165" . "SB-269,652" . "nociceptin(1-13)NH2" . "nociceptin/orphanin FQ(1-13)NH2" . "orphanin FQ(1-13)NH2" . "nociceptin-NH2" . "nociceptin/orphanin FQ--NH2" . "orphanin FQ-NH2" . "BAY-128039" . "[(pF)Phe4,Arg14,Lys15]N/OFQ-NH2" . "[(pF)Phe4]nociceptin(1-13)NH2" . "[(pF)Phe4]nociceptin/orphanin FQ(1-13)NH2" . "[(pF)Phe4]orphanin FQ(1-13)NH2" . "[3H]14-Tyr-nociceptin" . "[3H]14-Tyr-nociceptin/orphanin FQ" . "[3H]14-Tyr-orphanin FQ" . "[3H]nociceptin" . "[3H]nociceptin/orphanin FQ" . "[3H]orphanin FQ" . "[Arg14Lys15]nociceptin" . "[Arg14Lys15]nociceptin/orphanin FQ" . "[Arg14Lys15]orphanin FQ" . "[F/G]nociceptin(1-13)NH2" . "[F/G]nociceptin/orphanin FQ(1-13)NH2" . "[F/G]orphanin FQ(1-13)NH2" . "4-thiouridine triphosphate" . "[Nphe1,Arg14,Lys15]N/OFQ-NH2" . "[Nphe1]nociceptin(1-13)NH2" . "[Nphe1]nociceptin/orphanin FQ(1-13)NH2" . "[Nphe1]orphanin FQ(1-13)NH2" . "4-S-UTP" . "2-methylthio-ADP" . "2-chloro-ATP" . "ABT239" . "PF-04950615" . "RN-316" . "RN316" . "Hiprex®" . "compound 10 [PMID: 31895563]" . "BAY-1125976" . "adenosine triphosphate" . "ATPgammaS" . "dATPalphaS" . "2,5-ADP" . "BAY 1125976" . "adenosine-2'-5'-diphosphate" . "adenosine 3',5'-diphosphate" . "Example 5 [WO2012136776A1]" . "adenosine 2',5'-bisphosphate" . "adenosine 3',5'-bisphosphate" . "Dificid®" . "OPT-80" . "PAR-101" . "Dificlir®" . "floxacillin" . "BRL 2039" . "BRL-2039" . "BRL2039" . "Quinsair®" . "Levaquin®" . "DR-3355" . "N-Lysinomethyltetracycline" . "Tetralysal®" . "UTPgammaS" . "tetracycline-L Methylene-Lysine" . "Mandelamine®" . "Urex®" . "Flagyl®" . "INS365" . "Metrogel®" . "AS924" . "BAY-5360" . "BAYER 5360" . "ROZEX®" . "Avelox®" . "Naphuride" . "suramine" . "Prolacria" . "adenosine-3'-phosphate-5' -phosphosulfate" . "3'-phosphoadenosine-5'-phosphosulfate" . "MOXIVIG® (opthalmic solution)" . "BAY128039" . "MFX" . "Bactroban®" . "Centany®" . "BRL-4910A" . "BRL-4910F" . "NSC-2107" . "NSC-44150" . "Macrobid®" . "Macrodantin®" . "Nitro Macro®" . "Furadantin®" . "Floxin®" . "Tarivid®" . "Exocin® (eye drops)" . "DL-8280" . "HOE-280" . "OFX" . "Terramycin®" . "E703" . "NSC-9169" . "Oracillin®" . "penicillin V" . "PC Pen VK®" . "Pen-V®" . "Penicillin VK" . "PNV" . "PIPC" . "CL 227,193" . "CL-227193" . "T-1220" . "Tazocin® (piperacillin + tazobactam)" . "amdinocillin pivoxil" . "pivmecillinam hydrochloride" . "RO-10-9071" . "RO-109071" . "RO-109071" . "RO-109,071" . "Selexid®" . "NSC-14083" . "Strepcen®" . "Targocid®" . "Antibiotic 8327A" . "INS37217" . "dCp4U" . "U-92016A" . "cytidine triphosphate" . "guanosine triphosphate" . "inosine triphosphate" . "ADPbetaS" . "adenosine 5'-O-(2-thiodiphosphate)" . "WEB-2086" . "SDZ 216-525" . "deoxyadenosine triphosphate" . "[3H]2-methylthio-ADP" . "CR-2017" . "GW-7647" . "[33P]2-methylthio-ADP" . "uridine diphosphate galactose" . "UDP-glucuronate" . "UDPGA" . "uridine diphosphate glucuronic acid" . "hybrid of human PTHrP and human PTH" . "human parathyroid hormone related peptide" . "parathyroid hormone related peptide 7-34" . "human/bovine tuberoinfundibular peptide" . "human/bovine tuberoinfundibular peptide 3-39" . "human/bovine tuberoinfundibular peptide 9-39" . "human/bovine tuberoinfundibular peptide 7-39" . "mouse tuberoinfundibular peptide 7-39" . "2-O-ethyl-platelet-activating factor C-16" . "2-O-methyl-platelet-activating factor C-18" . "GW 7647" . "[3H]platelet activating factor" . "enantio platelet-activating factor C-16" . "GW 9578" . "5',5'''-diadenosine tetraphosphate" . "GW-9578" . "adenosyl-P4" . "CV6209" . "GW 5823" . "GW-6471" . "SR-27417" . "Y 24180" . "[3H]WEB 2086" . "BN 52021" . "BN 52022" . "mamba intestinal toxin-1" . "EG-VEGF" . "endocrine gland-derived vascular endothelial growth factor" . "human prolactin-releasing peptide-24-31" . "human prolactin-releasing peptide-20" . "rat prolactin-releasing peptide-20" . "human prolactin-releasing peptide-31" . "rat prolactin-releasing peptide-31" . "[125I]prolactin-releasing peptide-20" . "GW 1929" . "GW-1929" . "Dddd-PGD2" . "delta(12)-PGJ2" . "delta-12-prostaglandin D2" . "15d-Δ12,14-PGJ2" . "15deoxy-delta-12,14-PGJ2" . "GR 218231" . "GR218231" . "BRN 2170623" . "GR-125487" . "prostaglandin D2" . "GR125487" . "MR-256" . "GR 55562" . "VPC 12249" . "prostaglandin E1" . "VPC-12249" . "U-92,016-A" . "minprositin E2" . "minprostin E2" . "SCH-57790" . "prostaglandin E2" . "7-epi-GC" . "(+)-benzetimide" . "platelet activating factor" . "prostarmon E" . "SCH57790" . "AZD0530" . "AZD-0530" . "AG-014699" . "PF-01367338" . "AG14447" . "AG014699" . "SR58611A" . "SR-58,611A" . "SR 12813" . "SR 144528" . "SR-144528" . "SR 146131" . "SR-146131" . "SR 8278" . "SR-8278" . "SR-120819A" . "SR 120819A" . "SQ 27986" . "potassium channel toxin kappa-KTx 5.1" . "HL15-1-1" . "Panacelan" . "Enzaprost" . "Kunitz-type serine protease inhibitor homolog dendrotoxin K" . "venom basic protease inhibitor K" . "DTX-K" . "corazolol" . "4-AP" . "Movantik®" . "CH5424802" . "AF802" . "TAE684" . "ASP3026" . "AP-26113" . "CH-5132799" . "CH 5132799" . "RGB 286638" . "RGB286638" . "FK866" . "FK-866" . "APO-866" . "Z-3181" . "PF-03084014" . "TX522" . "LA480" . "LY2875358" . "LY-2875358" . "MEDI-573" . "BAY-U-3405" . "13,14-dihydro-15-keto-prostaglandin D2" . "ZK 96480" . "GW-2433" . "prostaglandin F2α" . "SR 2640" . "9-deoxy-delta-9-prostaglandin D2" . "prostaglandin J2" . "SR-2640" . "MORAb-009" . "GW 2433" . "U 46619" . "IP751" . "[3H]11-dehydroprostaglandin F2-alpha" . "IP-751" . "[3H]prostaglandin D2" . "butaprost acid" . "CT-3" . "carboprostacyclin" . "ICI 80996" . "trans-6-shogaol" . "[6]-shogaol" . "AH 6809" . "AH-6809" . "DGLA" . "8,11,14-Eicosatrienoic acid" . "13,14-dihydro-15-ketoprostaglandin D2" . "DK-PGD2" . "Homo-gamma-linolenic acid" . "Dhk-pgf2alpha" . "DS107" . "MM36" . "[3H]BAY u3405" . "[3H]Bay u 3405" . "[3H]baynas" . "baynas" . "example 352 [WO2007058338]" . "17-phenyl-ω-trinor-prostaglandin E2" . "17-phenyl-trinor-PGE2" . "ARGX-113" . "clone 41D12" . "nothiazine" . "prostacyclin I2" . "prostaglandin I2" . "mepazine" . "vasocyclin" . "Pacatal" . "chemerin 9" . "AZD2171" . "JNJ 42756493" . "JNJ42756493" . "[3H]prostaglandin E2" . "ARQ087" . "[3H]prostin E2" . "Hyperstat" . "Amoglandin" . "Cerviprost" . "Cyclosin" . "ARQ-087" . "ARQ 087" . "TAS 120" . "Example 2 [WO2013108809]" . "FGFR-IN-1" . "DEBIO-1347" . "CH5183284" . "compound 34 [PMID: 28665128]" . "BAY-1163877" . "BAY1163877" . "Example 1 [WO2013087578]" . "LGH-447" . "LGH447" . "PIM-447" . "PIM 447" . "compound 8 [PMID: 26505898]" . "BI2545" . "BI 2545" . "compound 19 [PMID: 29259743]" . "compound 1 (Table 1) [WO2012173521]" . "PF114" . "PF 114" . "example 32 [WO2011078413]" . "compound 5 [PMID: 29155428]" . "7-(m-Tolyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide" . "example 4 [WO2014091368]" . "PF06372865" . "PF 06372865" . "SCH336" . "SCH-336" . "analog 4j [PMID: 15664857]" . "UCB 5857" . "UCB-5857" . "UCB5857" . "UCB7665" . "UCB-7665" . "UCB 7665" . "CA170_01519.g57 IgG4P" . "iscalimab (proposed INN)" . "CFZ-533" . "NVP-CFZ533" . "OM11-62MF" . "example 65 [WO2011078360]" . "PRX003" . "CDP7766" . "UCB-4144" . "VR-942" . "Erleada®" . "IPN-009" . "BIVV009" . "IPN009" . "GYY4137" . "dual GSK-3β/AChE inhibitor" . "GSK-3β inhibitor 1 [Jiang et al., 2018]" . "compound 15 [PMID: 29424542]" . "example 1 [WO2016046260A1]" . "LUF 5962" . "LUF-5962" . "UK432,097" . "UK432097" . "(R)-salbutamol" . "(-)-salbutamol" . "levalbuterol" . "gardrin" . "nalador" . "5-fluoronorepinephrine" . "SC 51089" . "11-deoxyprostaglandin E1" . "17AAG" . "17-N-allylamino-17-demethoxygeldanamycin" . "doproston" . "HSP90A" . "16,16-dimethylprostaglandin E2" . "HSPC1" . "HSPCA" . "AH 13205" . "Trulicity®" . "11-deoxy-PGE1" . "15-deoxy-Δ12,14-prostaglandin D2" . "15d-Δ12,14-PGD2" . "9-O-methanoprostaglandin I" . "SC 30695" . "misoprostol acid" . "BRN 4155643" . "CCRIS 6859" . "HSDB 3573" . "SC 29333" . "Toujeo®" . "conk-S1" . "RY 796" . "RY-796" . "GR-63799X" . "GR63799" . "guangxitoxin-1E" . "6-fluoronorepinephrine" . "6-fluoro-NE " . "NG-95" . "κ-theraphotoxin-Pg1a" . "[3H]dinoprost" . "κ-TRTX-Pg1a" . "κ-theraphotoxin-Scg1a" . "κ-TRTX-Scg1a" . "toxin SGTx1" . "[3H]prostaglandin F2alpha" . "hanatoxin-1" . "κ-TRTX-Gr1a" . "κ-theraphotoxin-Gr1a" . "AGN 192024" . "LS-181817" . "10-DEBC" . "17-phenyl-ω-trinor-PGF2α" . "PHXA85" . "GNF-2" . "RO-316233" . "Novapirina" . "AV-1" . "Ro-31-6233" . "Xalatan®" . "TTX" . "NP-118809" . "NP 118809" . "AH 23848" . "AH-23848" . "ML-297" . "ML 297" . "Neuraceq®" . "[18F]BAY 94-9172" . "BAY 94-9172" . "FRC-8653" . "MM11253" . "ZM-39923" . "CGS 8216" . "9-bromopaullone" . "MRS 2693" . "5-iodo-UDP" . "UCM-549" . "UCM549" . "UCM-724" . "UCM724" . "UCM-793" . "UCM793" . "ethyl-furo-pyrazolo-pyridine-ethyl-acetamide" . "N-[2-(2-Ethyl-8,9-dihydrofuro[3,2-c]pyrazolo[1,5-a]pyridin-1-yl)ethyl]acetamide" . "carboxybiphenyloxy-butoxy-naphthalen-ethylacetamide" . "cyclohexylmethyl-indenofurane-ethylacetamide" . "UCM-454" . "UCM454" . "CCG 50014" . "CAM-3001" . "SB-240683" . "Ofev®" . "MLN-8237" . "CYT-387" . "CYT387" . "INCB-028050" . "LY3009104" . "LY-3009104" . "SB1518" . "GDC-0032" . "GDC0032" . "IPI-145" . "INK-1197" . "R-788" . "R 788" . "R7935788" . "LY2157299" . "LY-2157299" . "OSI-774" . "PF-02341066" . "PD-0332991" . "VU-0152100" . "VU 0119498" . "VU-0119498" . "VU 0238429" . "ZK 93423" . "GR-138950" . "GR 138950" . "GR138950" . "AZ-13337019" . "AZ13337019" . "AZ4217" . "WY-090217" . "AY-22989" . "Rapamune®" . "SC68376" . "Prialt" . "LG754" . "tetrabromocinnamic acid" . "L-364,718" . "BAS 08314227" . "(S)-1 [PMID: 16904708]" . "KP372-1" . "5-iodo-uridine-5'-diphosphate" . "JNJ7706621" . "[3H]ciloprost" . "8-OH-PIPAT" . "[3H]ventavis" . "Kunitz-type conkunitzin-S1" . "SB-1518" . "PD0332991" . "VU 0152100" . "Iluvien®" . "ARGX110" . "ARGX 110" . "(-)-albuterol" . "9α,11α,11a-dicarba-TXA2" . "CTA-2" . "9,11-epoxymethano-PGH2" . "[3H]U 46619" . "DW13.3 toxin" . "MRL871" . "example 6B [WO2014028600A2]" . "BRN 4205392" . "GS-9674" . "GS9674" . "SQ-28053" . "[3H]SQ-28053" . "example 13/9 [US10485795B2]" . "BM-13505" . "SK&F 96148" . "SKF 96148" . "daltrobanum" . "ND-630" . "BMS 180291" . "BMS 180291-02" . "[33P]Human gene 2 relaxin" . "[125I]insulin-like peptide 5" . "BIM-23050" . "BIM-23052" . "desAA1,2,5[D-Trp8,IAmp9]somatostatin-14" . "cortistatin-17" . "SST-14" . "SST-28" . "[125I](Leu8, D-Trp22, Tyr25)-somatostatin-28" . "GS-ACC" . "GS-0976" . "DC 13-116" . "BMY 41606" . "CCRIS 6495" . "RC 160" . "DRG-0115" . "NDI-010976" . "KAR-5585" . "KAR5585" . "carbamoyl-des-AA1,2,4,5,12,13[d-Cys3,Tyr7,d-Agl8(Me,2-naphthoyl)]-somatostatin-14" . "HEK-1" . "substance K" . "IY-5511" . "[pGlu6,Pro9]substance P" . "ORG-37,684" . "Longastatin" . "MDL 201229" . "Somatuline®" . "ML 1229" . "compound 15b [PMID: 28041831]" . "compound 15a [PMID: 28041831]" . "KAR5417" . "KAR-5417" . "RVT-1201" . "MMV646" . "ALKS-33" . "compound 5 [PMID:15808478]" . "loxicodegol (deleted INN)" . "NKTR-181" . "NKTR181" . "ALK4290" . "ALK-4290" . "Example 11 [WO2012045803A1]" . "AKST-4290" . "INS 1007" . "INS1007" . "LY3527723" . "LIK-066" . "LIK066" . "example 62 [WO2011048112A1]" . "LMB763" . "LMB-763" . "compound 1 [PMID: 31940200]" . "ZPL-3893787" . "VAY-736" . "VAY736" . "LY3090106" . "compound 15 [PMID: 31059256]" . "LXH-254" . "example 1156 [WO2014151616A1]" . "JNJ-42847922" . "JNJ42847922" . "SB334867" . "NKTR-214" . "NKTR214" . "KBP066" . "KBP 066" . "DACRA" . "JNJ 42226314" . "JNJ42226314" . "EW7197" . "BMS986260" . "Example 32' [WO2016140884A1]" . "AG-881" . "AG881" . "FT-2102" . "compound 10 [Velaparthi et al., 2020]" . "example 24 [WO2014042939A1]" . "ZINC000128734226" . "Z1610979660" . "ZINC000555417447" . "Z1514261971" . "ZINC000157673384" . "Z1480758218" . "HWL088" . "HWL 088" . "HY-130120" . "CS-0105155" . "RK287107" . "NVP-TNKS-656" . "TNKS656" . "TNK-S656" . "TNK S656" . "NVPTNKS656" . "compound 43 [PMID: 23844574]" . "example 5 [WO2013012723A1]" . "compound 9 [PMID: 25815142]" . "AZ-1366" . "compound 15 [PMID:20038105]" . "compound (R)-38 [PMID: 31820981]" . "AMG 510" . "[Arg1,Trp7,9,Leu11]substance P" . "SPME" . "SPOMe" . "substance P methylester" . "ML-SA1" . "SR 142801" . "KB-146009" . "SR 48968" . "ProMune" . "SB-681323" . "[MePhe7]NKB" . "TSU-68" . "somatostatin-14" . "insulin-like peptide 3" . "insulin-like peptide 5" . "MEN11420" . "SU-6668" . "SCIO-469" . "suc[Asp6,MePhe3]SP(6-11)" . "suc[Asp6,MePhe3]SP(6-11))" . "KB-160506" . "His(1-methyl)-TRH" . "His(1-methyl)-thyrotropin-releasing hormone" . "pGlu-His(1(τ)-methyl)-ProNH2" . "[3H]Me-thyrotropin-releasing hormone" . "[3H]pGlu-His(1(τ)-methyl)-ProNH2" . "KB-270807" . "AZ12457709" . "KN62 (S isomer)" . "KN-62" . "KN 62" . "TA 0910" . "l-amphetamine" . "d-amphetamine" . "p-tyramine" . "KN-62 (non-isomeric)" . "urotensin-related peptide" . "human [125I] urotensin-II" . "human [Bz-Phe6] urotensin-II" . "human [Pen5]-urotensin (4-11)" . "AZ12677524" . "ADH" . "antidiuretic hormone" . "arginine vasopressin" . "argipressin" . "[Arg8]vasotocin" . "[D-Arg8]vasopressin" . "[2-hydroxy-3-mercaptopropionic acid-1, Phe-2, Hgn-4. Dab(Abu)-8]OT" . "[Lys8]AVP" . "lysine vasopressin" . "AZ11920155" . "AZ12012199" . "syntopressin" . "[3H]arginine vasopressin" . "[3H]oxytocin" . "AZ11942571" . "Pitocin®" . "AZ12488024" . "CP122288" . "Qutenza®" . "Syntocinon®" . "CP 122288" . "CP-122,288" . "CP 195543" . "CP 339818" . "CP339818" . "LCQ908" . "LCQ-908" . "ON-01910" . "Estybon® (proposed trade name)" . "ON01910.Na" . "GW856553" . "GS856553" . "Ro468443" . "RES-701-1" . "cc-292" . "AVL 292" . "AVL-292" . "BMS 582949" . "PS-540446" . "PS 540446" . "ABT 288" . "ABT288" . "ABT384" . "ABT 384" . "AGN-191976" . "AGN-211334" . "AMG 7703" . "AMG-7703" . "KY020" . "AMG-9810" . "AMG9810" . "AS 604872" . "CS-9803" . "KAI-9803" . "BMS-875944" . "CX 614" . "BDP 37" . "KB-272091" . "KB-275239" . "QCR-22" . "CGP 13501" . "GTX007" . "GTX-007" . "SSR" . "Org 27569" . "Example 1 (WO2011029803)" . "AHU377" . "LBQ-657" . "L-873724" . "AAE581" . "SB462795" . "SB-462795" . "BPA" . "AS703026" . "MSC1936369B" . "podofilox" . "BAY 1000394" . "KB-145902" . "BAY 10-00394" . "BAY 80-6946" . "BGJ398" . "BGJ 398" . "NVP-BGJ398" . "BMS 690514" . "BKM120" . "compound 23 [PMID: 18752942]" . "compound 1 [PMID: 24900526]" . "[1-deamino-4-cyclohexylalanine]LVP" . "[Phe3]oxytocin" . "oxypressin" . "[Thr4,Gly7]oxytocin" . "4-Val-argipressin" . "1-deamino,D-AVP" . "[deamino-Cys1,D-Arg8]vasopressin" . "1-deamino-4-val-8-arg-vasopressin" . "[deamino-Cys1,Val4,D-Arg8]AVP" . "d[Val4]AVP" . "IPI504" . "[deamino-Cys1,D-Phe2]AVP" . "[deamino-Cys1,Cha4,Dab8]vasopressin" . "[deamino-Cys1,Cha4]AVP" . "[deamino-Cys1,Cha4,Lys8]vasopressin" . "(-)-menthoxypropane-1,2-diol" . "[deamino-Cys1,Leu4,Dap8]vasopressin" . "[deamino-Cys1,Leu4,Arg8]vasopressin" . "[deamino-Cys1,Leu4,Lys8]vasopressin" . "d[Leu4,Lys8]VP" . "d[Leu4]lysine vasopressin" . "N-stearyl-[Nle17]vasoactive intestinal peptide" . "[deamino1]AVP" . "deamino-vasopressin" . "[deamino-Cys1]AVP" . "[1-deamino-4-cyclohexylalanine]AVP" . "AS-703026" . "AXL1717" . "BKM 120" . "BKM-120" . "d[D-3-Pal2]AVP" . "conivaptan" . "Xopenex®" . "TyrPhaa" . "ORF22164" . "RWJ 22164" . "d[D-Tyr(Et)2,Thr4,Orn8]vasotocin" . "d[D-Tyr(Et)2,Thr4]OVT" . "β-mercapto-β,β,cyclopentamethylenepropionyl[D-Ile2,Ile4,Ala-NH29]AVP" . "Pmp[D-Ile2,Ile4,Ala-NH2]AVP" . "2-aminoethoxydiphenyl borate" . "Dezone" . "β-mercapto-β,β,cyclopentamethylenepropionyl[D-Tyr(Et)2,Val4,Tyr-NH29]AVP" . "Mcp-tva-argipressin" . "SK&F 101926" . "SK&F 10196" . "dGTyr(Et)VAVP" . "Yoda 1" . "β-mercapto-β,β,cyclopentamethylenepropionyl[Tyr(Me)2,Thr4,Phe(3125I,4N3)-NH29]OVT" . "[125I]ZOTA" . "d(CH2)5[Tyr(Me)2,Thr4,Orn8,Phe(3125I,4N3)-NH29]vasotocin" . "I-ZOTA" . "d(CH2)5[Tyr(Me)2,Thr4,Orn8,Phe(3I,4N3)-NH29]vasotocin" . "E-2609" . "[125I]D-(CH2)5[Tyr(Me)2,Thr4,Tyr-NH29]ornithine vasotocin" . "[125I]OTA" . "menthone 1,2-glycerol ketal" . "E2609" . "β-mercapto-β,β,cyclopentamethylenepropionyl[Tyr(Me)2,Thr4,Tyr-NH29]OVT" . "CP724714" . "diphenyl phosphine oxide-1" . "Pmp[Tyr(Me)2,Thr4,Tyr-NH29]ornithine vasotocin" . "d(CH2)5[O-Me-Tyr2-Thr4-Orn8-Tyr9-NH2]vasotocin" . "E 2609" . "ammonium tri-chloro(dioxoethylene-O,O'-)tellurate" . "U-46619" . "AM-678" . "RG7129" . "ACT-334441" . "IPI-504" . "17-Allylamino-17-demethoxygeldanamycin (hydrochloride)" . "17-AAG (hydrochloride)" . "17-DMAG" . "SP4206" . "hu317-1/IgG4mt2" . "IDEC-C2B8" . "LY2439821" . "BG00012" . "CC930" . "CC 930" . "compound 1 [PMID: 22244937]" . "CZ-415" . "CZ 415" . "compound 3 [PMID: 27563401]" . "H-Dmt-Tic-Gly-NH-Bzl" . "LIMKi 3" . "BMS-5" . "BMS 5" . "SR 7826" . "LY2801653" . "LY-2801653" . "PF-3512676" . "CpG7909" . "CpG 7909" . "PF 3512676" . "PF3512676" . "VaxImmune" . "Formula (10) [WO2012078708A1]" . "CP-195,543" . "CP-690,550" . "LY-3074828" . "LY3074828" . "Antibody I [US9023358]" . "HuZAF" . "INCB028050" . "2-methyl-5-hydroxytryptamine" . "Esracaine" . "1-deaminopenicillamine-2-(O-methyl-tyr)-argipressin" . "d(CH2)5[O-Me-Tyr2,Thr4,Orn8]vasotocin" . "d(CH2)5[O-Me-Tyr2,Thr4]ornithine vasotocin" . "d(CH2)5[O-Me-Tyr2-The4-Orn8]vasotocin" . "[3H][1-deamino-4-cyclohexylalanine]AVP" . "Pmp[Tyr(Me)2]AVP" . "SKF-100273" . "d(CH2)5[O-methyl-Tyr2]AVP" . "dPTyr(Me)AVP" . "BRL-46470" . "OPC-41061" . "[3H][deamino-Cys1,Cha4]AVP" . "CEP32496" . "AC013773" . "CP 547,632" . "[3H]deamino arginine vasopressin" . "[3H]desmopressin" . "[125I]β-mercapto-β,β,cyclopentamethylenepropionyl[D-Ile2,Ile4,Tyr-NH29]AVP" . "[125I]β-mercapto-β,β,cyclopentamethylenepropionyl[D-Ile2,Val4,Tyr-NH29]AVP" . "β-mercapto-β,β,cyclopentamethylenepropionyl[D-Tyr(Et)2,Ile4,Tyr-NH29]AVP" . "[125I]β-mercapto-β,β,cyclopentamethylenepropionyl[D-Tyr(Et)2,Val4,Tyr-NH29]AVP" . "β-mercapto-β,β,cyclopentamethylenepropionyl[D-Ile2,Ile4,Tyr-NH29]AVP" . "β-mercapto-β,β,cyclopentamethylenepropionyl[D-Ile2,Ile4]AVP" . "β-mercapto-β,β,cyclopentamethylenepropionyl[D-Ile2,Val4,Tyr-NH29]AVP" . "VPA-985" . "cyclo(Pro-Trp-Ile-Pip-Pip-His)" . "CP-547,632" . "[Mpa1,O-ethyl-D-Tyr2,D-Tic7,D-Tic9]OT" . "[deamino β-mercaptopropionic acid,D-Tyr(Et)2,D-Tic7,D-Tic9]OT" . "[Mpa1,O-ethyl-D-Tyr2,D-Tic7,Aib9]OT" . "[deamino β-mercaptopropionic acid,-D-Tyr2,D-Tic7,Aib9]OT" . "arachidonoyl ethanolamide" . "[deamino β-mercaptopropionic acid-D-Tyr(Et)2,D-Tic7]OT" . "pituitary adenylate cyclase activating polypeptide-27" . "pituitary adenylate cyclase activating polypeptide-38" . "1,2-dioctanoyl-sn-glycerol" . "[125I]-[Ac-His1]pituitary adenylate cyclase activating polypeptide-27" . "[Ac-His1]pituitary adenylate cyclase activating polypeptide-27" . "[Acetyl-His1,D-Phe2,Lys15,Arg16,Leu17]VIP(3-7)/GRF(8-27)" . "Myr-His1[Lys12,Lys27,28,Gly29,30,Thr31]VIP" . "peptide histidine-isoleucine" . "peptide histidine-methionine" . "peptide histidine-valine" . "Ac-His1[Glu8,OCH3-Tyr10,Lys12,Nle17,Ala19,Asp25,Leu26,Lys27,28]VIP" . "[125I]vasoactive intestinal peptide" . "[Ala11,22,28]vasoactive intestinal peptide" . "Exendin 2" . "Y-25130" . "growth hormone-releasing factor (GHRF)" . "Kytril®" . "CP 724714" . "CP 868596" . "CP-868596" . "deforolimus" . "AP-23573" . "SU-8341" . "cyclomethiazide" . "BE-1293" . "MJF-10938" . "Diurexan®" . "LY-210448" . "LY 210448" . "Priligy" . "Extensil" . "Sustinex" . "Duratia" . "Pentenal-30" . "ENMD2076" . "ENMD 2076" . "SHR-1020" . "SHR1020" . "GDC-0068" . "GDC-0980" . "GDC0980" . "RG7422" . "GS-9973" . "GS 9973" . "GS9973" . "GSK-2110183" . "GSK2110183" . "GSK-2141795" . "GSK2141795" . "HM781-36B" . "NOV120101" . "INCB28060" . "INC280" . "Leukine®" . "INNO-406" . "NS-187" . "UCN-01" . "UCN 01" . "CP 547632" . "ChTX" . "pituitary adenylate cyclase activating polypeptide (6-38)" . "Stichodactyla helianthus toxin" . "2-aminonaphthiazole" . "DK-AH269" . "n-butyl-β-carboline-3-carboxylate" . "ARO-002" . "AP23573" . "UL-FS49" . "MK-8669" . "Aquaphor" . "Aquaphoril" . "5-OH-DMT" . "n-butyl-beta-carboline-3-carboxylate" . "PIP2" . "RG-7422" . "LGX818" . "glyburide" . "2-APB" . "1-oleoyl-2-acetyl-sn-glycerol" . "1-stearoyl-2-arachidonoyl-sn-glycerol" . "MK0663" . "cadmium ion" . "1-stearoyl-2-linoleoyl-sn-glycerol" . "hydrogen peroxide" . "AMG-510" . "(-)-menthyl lactate " . "p-menthane-3,8-diol " . "teichomycin" . "MDL-507" . "MDL 507" . "(+)-PN 200-110" . "BB-2516" . "BB2516" . "(-)-D888" . "Example 5 [WO2009009740A1]" . "satralizumab-mwge" . "Enspryng®" . "LXS-196" . "lead ion" . "KTX" . "MgTx" . "MCDP" . "ShK-170" . "HpTx2" . "PaTX 1" . "PaTX 2" . "LS-185874" . "chromanol HMR1556" . "C13853" . "NVP-LXS196" . "Example 9 [WO2016020864A1]" . "R-L364,373" . "compound 1 [WO2012024404A1]" . "scyllatoxin (ScyTx)" . "SHR-6390" . "Example 1 [WO2014183520A1]" . "DCC3014" . "example 10 [WO2014145025A2]" . "SUN-K706" . "SUNK706" . "SCO088" . "compound 1 [PMID: 32787110]" . "example 13 [WO2015132799A2]" . "A4250" . "A-4250" . "Unk-D-nTyr-Abu-OH (IUPAC condensed name)" . "example 5 [US9694018B1]" . "compound 34 [PMID: 27570890]" . "TUG1197" . "Kesimpta® (subcutaneous)" . "OMB157" . "OMB-157" . "AZ2" . "AB-106" . "AB106" . "DS6051b" . "IMP-4297" . "TCMDC-140369" . "ERK-IN-1" . "ASTX-727" . "ASTX727 (decitabine + cedazuridine)" . "Inqovi® (decitabine + cedazuridine)" . "GB-1211" . "Example 44 [WO2016120403A1]" . "compound 71 [WO2018191577A1]" . "AZD-8154" . "Example 1 [WO2018055040A1]" . "LYS-006" . "A293" . "A-293" . "AVE-1231" . "DPO1" . "CB-03-01" . "Winlevi®" . "cortexolone 17α-propionate" . "CB-0301" . "Xaracoll®" . "Onureg® (CC-486; oral azacitidine)" . "NA-274" . "NA274" . "Bisolvon®" . "2-bromoergocryptine" . "compound 6a [PMID: 32815366]" . "BAY 68-4986" . "BAY-68-4986" . "BAY684986" . "neladenoson dalanate (deprecated INN)" . "BAY 1067197" . "BAY-1067197" . "BAY1067197 (amide ester prodrug)" . "compound 22b [PMID: 26824742]" . "ISAM140" . "compound 8 [PMID: 30576906]" . "BAY545" . "[18F]4" . "PEPTIDE1{S.F.R.N.[am]}$$$$" . "peptide 3 [PMID: 28267583]" . "MRS-2159" . "LS-190926" . "Sea anemone toxin II (Anemonia sulcata)" . "SK-82526-J" . "LGX-818" . "LY-2784544" . "LY2784544" . "VS-6063" . "PF-04554878" . "PF04554878" . "reverse T3" . "TRIAC" . "VS6063" . "histone deacetylase inhibitor VI" . "LCL-161" . "GLPG0634" . "AGN 193109" . "rubidium ion" . "barium ion" . "BV6" . "PFI 3" . "IN2080" . "CAY10683" . "NMS1286937" . "NMS-1286937" . "NMS P937" . "GNE 9605" . "LS-191458" . "8-hydroxyeicosatetraenoic acid" . "KRP-297" . "WY14643" . "GSK-516" . "DORA-analogue" . "BI-97C1" . "γ-amino butyric acid" . "BI 97C1" . "MEK162" . "MEK-162" . "ARRY 162" . "ARRY-162" . "ARRY-438162" . "2-Me-5-HT" . "2-methylserotonin" . "compound 21 [PMID: 18778943]" . "α-Me-5-HT" . "α-methylserotonin" . "UCM765" . "UCM-765" . "benzyloxy-methoxyphenyl-propylamide" . "MRL 24" . "2,4-(1-keto-hexyl) phloroglucinol" . "CB-154" . "AL-12180" . "W-7" . "CGP 12177A" . "CPI 203" . "(R,S)-nicardipine" . "(+-)-isradipine" . "toddler" . "PN200-110" . "CgA" . "(+)-[3H]isradipine" . "(+)-[3H]O5-methyl O3-propan-2-yl 4-(2,1,3-benzoxadiazol-7-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate" . "3H-(+)-PN 200-110" . "2-bornanone" . "tdl" . "ELABELA" . "Ende" . "Gravocain" . "Leostesin" . "Ende" . "LqTx-2" . "Aminalon" . "Gaballon" . "Ro-415253" . "nalossone" . "MP-470" . "MP 470" . "AZ 505" . "MP470" . "MLN0128" . "INK 128" . "P276-00" . "PD-0325901" . "PD0325901" . "PF 04691502" . "PHA-739358" . "PHA 739358" . "PHA-848125" . "PHA848125" . "PHA 848125" . "PKI 587" . "PF-05212384" . "NMU-25" . "NMU-23" . "NMU-23" . "NMU-8" . "NMS-33" . "NMS-36" . "NMS-36" . "PKI-587" . "PX-866" . "RAF265" . "RDEA119" . "RDEA-119" . "BAY-869766" . "BAY 869766" . "MK 8776" . "EXEL-7647" . "XL647" . "KD-019" . "MK 2206" . "MK2206" . "AEB071" . "AEB 071" . "AEB-071" . "BI 6727" . "BI6727" . "ARQ-197" . "Arqule" . "NVP-BEZ235" . "BEZ235" . "BEZ 235" . "BEZ-235" . "NVP-BEZ 235" . "BGT226" . "NPV-BGT226" . "BGT-226 free base" . "BMS 754807" . "BMS 777607" . "BMS 911543" . "BYL719" . "BYL-719" . "BYL 719" . "GC-1" . "SCH 900776" . "BMS754807" . "AT9283" . "AT 9283" . "BMS777607" . "BMS911543" . "ARQ 197" . "n-propylapomorphine" . "bicuculline methiodide" . "GI-262570X" . "delta9-THC" . "cis flupenthixol" . "INK128" . "19-hydroxyprostaglandin E1" . "2-camphanone" . "Δ9-THC" . "NVP-BYL719" . "PAH" . "(-)-N-porphynorapomorphine" . "TPN(Q)" . "PIP2" . "(R)-PIA" . "GR-127935" . "compound 183 [WO2007138072A2]" . "GW-274150" . "[2-[(1-iminoethyl) amino]ethyl]-L-homocysteine" . "(+)-S-145" . "GW-406381" . "GW 406381" . "compound 8 [PMID: 15454242]" . "(S)-PIA" . "(±)-EKC" . "LX3305" . "pentazocine" . "MK0359" . "L-454560" . "L-454,560" . "ChTX-GLU32" . "alpha-flupenthixol" . "19(R)-hydroxy-PGE2" . "19R-(OH)-PGE2" . "compound 20 [PMID: 18835163]" . "(-)-naloxone" . "MK0873" . "MK 0873" . "MLTA3698A" . "PRO283698" . "RG7416" . "ang II" . "RO-5459072" . "13,14-dihydro-prostaglandin E1" . "[15,16-3H]diprenorphine" . "(1S,3R)-1-ACPD" . "RG7625" . "trans-ACPD" . "(1S,3S)-ACPD" . "RG-7625" . "Rob 803" . "Rob-803" . "19-OH PGE1" . "bornan-2-one" . "phosphatidylinositol-4,5-bisphosphate" . "erythromycin analogue (523)" . "Rob803" . "PAF C-16" . "BMS986142" . "compound 14f [PMID: 27583770]" . "GS967" . "compound 5h [PMID: 16426848]" . "TMI005" . "STA-5326" . "L-161982" . "STA 5326" . "STA5326" . "4SC-101" . "l-naloxone" . "SC12267" . "SUNPG1623" . "CK101" . "tildrakizumab-asmn" . "Ilumya®" . "ONO-4059" . "RP5264" . "piperidic acid" . "piperidinic acid" . "Marinol®" . "2-(2-aminoethyl)thiazole" . "2-thiazoleethanamine" . "2-thiazolylethylamine" . "n-allylnoroxymorphone" . "compound 27b [US9447106]" . "HM‐71224" . "LY333764" . "HM71224" . "Example 228 [WO2011162515A2]" . "RX518" . "RX-518" . "Example 153 [US20170050936A1]" . "PRN-1371" . "PRN 1371" . "BT-061" . "hB-F5" . "GRC 4039" . "GRC-4039" . "GRC4039" . "Example 26 [WO2006064355A2]" . "LimphoStat-B" . "cometinib" . "OKY-046" . "Pulmoza®" . "Cataclot®" . "KCT-0809" . "compound 10 [PMID: 29510038]" . "TAK828F" . "TAK-828" . "BritLofex®" . "Episedal" . "Example 223 [US20160115126A1]" . "BMS986195" . "PG545" . "PG-545" . "compound 18 [PMID: 22458531]" . "compound 48 [Pillaiyar et al., 2018]" . "PSB17365" . "VUF-14862" . "VUF 14862" . "VUF 14738" . "VUF-14738" . "compound 28 [PMID: 29470065]" . "compound 33 [PMID: 29470065]" . "sepetaprost" . "DW-330SR" . "DW330SR" . "RS-2131" . "compound 13b [PMID: 6607354]" . "CS-670" . "XOMA 052" . "OPC-6535" . "OPC6535" . "OPC 6535" . "compound 19f [PMID: 7830278]" . "compound 34 [PMID: 29456795]" . "17-1A" . "L000276" . "anti-B7H1 monoclonal antibody" . "HTFMT" . "m-chlorophenylbiguanide" . "HU 211" . "IABA" . "norclozapine" . "indoramine" . "ICI-169,369" . "E7050" . "E-7050" . "19-hydroxy-PGE1" . "KX 2-391" . "KX-2-391" . "KX-01" . "LY-2090314" . "1-(3-chlorophenyl)biguanide" . "TAK-559" . "LY2228820" . "N-desmethyl-clozapine" . "LY-2228820" . "LY-2228820 free base" . "H2-Pat" . "LY2603618" . "LY-2603618" . "MK 2461" . "XL147" . "SAR-245408" . "L 368899" . "XL765" . "L 371257" . "L012255" . "SAR-245409" . "L 741626" . "Lopac-L-133" . "SAR245409" . "TCMDC-137004" . "ZSTK-474" . "L 817818" . "L-888607" . "ZSTK 474" . "5,6,15-triHETE " . "CO-1686" . "LY 320135" . "PDSP2_001613" . "PDSP1_001629" . "Antideprin" . "Nelipramin" . "AVL-301" . "N(6)-ibamu" . "saccharic acid" . "GSK-2636771" . "XL281" . "BMS 908662" . "XL 019" . "XL-019" . "WP-1066" . "WP 1066" . "XL-388" . "ABT 578" . "ABT-578" . "BPH 629" . "Ch14.18" . "SGN-33" . "SMART M195" . "HuM195" . "ZAMYL®" . "ACTIMAB®" . "AMG 102" . "AMG102" . "cG250" . "WX-G250" . "G250" . "THERACIM®" . "h-R3" . "Theraloc®" . "CNTO 136" . "1E10" . "6-FMevPP" . "Vaxira®" . "SQ 109" . "SQ109" . "CNTO-1959" . "REGN88" . "SAR153191" . "LY 2127399" . "LY2127399" . "VE 822" . "PP242" . "Torin-1" . "OSU03012" . "AR-12" . "BX795" . "BX 795" . "PHT 427" . "PHT427" . "GSK-2334470" . "GSK 2334470" . "CGP-42446A" . "NU7441" . "NU 7441" . "KU-57788" . "DNA-PK inhibitor II" . "KU 0060648" . "PIK75" . "PIK 75" . "imidazopyridine derivative 8c [PMID 17601739]" . "PP-121" . "PP 121" . "compound 10 [PMID: 23228808]" . "GC 1 compound" . "2-GMQ" . "CHIR99021" . "CHIR 99021" . "CT-99021" . "CT99021" . "(3α,5β,12α,17xi)-3-hydroxy-21-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]pregnan-12-yl (2S)-2-methylbutanoate" . "SB-216763" . "SB216763" . "CHIR98014" . "CHIR 98014" . "GSK-3beta inhibitor XII" . "azakenpaullone" . "compound 3 [PMID: 8576905]" . "SB 415286" . "SB415286" . "BIO" . "compound 39 [PMID: 23581530]" . "SCH 66336" . "SCH-66336" . "SCH66336" . "Sarasar" . "compound 2 [PMID: 12852750]" . "S7330" . "Blincyto®" . "MEDI551" . "Rencarex® (proposed proprietary name)" . "CGP-42446B" . "BMS908662" . "XL 147" . "3,5,7-triethoxyflavone" . "MCCG-I" . "MCL-0129" . "MRE 3008-F20" . "MCP-NECA " . "MRS-1041" . "KUC107647N" . "medic-16" . "erythromycin enol ether" . "MDL100907" . "MDL-100907" . "compound 1j [PMID:19456099]" . "PANOREX® (proposed trade name)" . "[Tyr5,D-Trp6,8,9,Lys10]-alpha-NEUROKININ A, Fragment 4-10" . "MEN-10,376" . "neurokinin A(4-10), Tyr(5)-Trp(6,8,9)-Lys(10)- " . "M&B 28767" . "EBI2511" . "EBI 2511" . "(-)-menthol" . "BL-8040" . "BKT140" . "4F-Benzoyl-TN14003" . "TF14016" . "PM01183" . "PM 01183" . "PM-01183" . "NLG919" . "Compound 2 [PMID: 29531094]" . "BMS-986205" . "KRP 297" . "MK-767 " . "Example 19 [US20160137652A1]" . "MK 0974 " . "DACRA" . "L 706000" . "MK 499" . "KBP088" . "KBP 088" . "KeyBiosciencePeptide 088" . "ML-10302" . "DACRA" . "FE 203799" . "CVQ1IAY2G6" . "baohuoside I" . "CI 977" . "compound 13g [PMID: 32077280]" . "GNF-2133" . "GNF-4877" . "Nexletol®" . "JD-5037" . "Ketoisdin" . "Ketoconazol" . "l-menthol" . "levomenthol" . "levomethadone" . "Maxolon" . "JD5037" . "florid(nitrate)" . "metergoline phenylmethyl ester" . "liserdol" . "Nizoral®" . "KPR5714" . "MK499" . "FFPM" . "Zl-n-91" . "HY-128575" . "CS-0095916" . "eptinezumab-jjmr" . "Vyepti®" . "ALD403" . "ALD-403" . "ATF-936" . "AXT-914" . "AF-219" . "NCGC00241607" . "KPR 5714" . "compound 9h [PMID: 32026697]" . "PF04691502" . "SU3327" . "halicin" . "compound 9 [PMID: 19271755]" . "BMS-927711" . "BMS927711" . "BHV-3000" . "BHV3000" . "Nurtec ODT®" . "compound 8 [PMID: 23153230]" . "Barhemsys®" . "AB-680" . "compound 1 [Mathison et al., 2020]" . "WF47JS03" . "isatuximab-irfc" . "Sarclisa®" . "Cinnamoyl-cyclopropylalanine-GlnLactam-CO-CO-NH-benzyl" . "LNP-023" . "compound 41 [PMID: 32073845]" . "example 24 [WO2016208775]" . "T495" . "MK7622" . "SMO agonist (SAG)" . "KPL-301" . "example 6 [WO2015079417A1]" . "LOU-064" . "compound 25 [PMID: 32083858]" . "E-64d" . "EP453" . "loxistatin" . "E64d" . "compound 2b [PMID: 8765519]" . "compound 4b [PMID: 28124907]" . "PF-00547659" . "Isturisa®" . "inhibitor N3" . "N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE" . "SHR-8735" . "compound 20 [PMID: 30023867]" . "PSB1584" . "6-hexylaminouracil" . "compound 2 [PMID: 32134643]" . "GSTO1-IN-1" . "DRL17822" . "DRL 17822" . "RO-5256390" . "RO 5256390" . "PF05089771" . "PF 05089771" . "IC-6" . "MT45" . "NSC 299236" . "CDEP" . "GS5734" . "3,7-Diethoxy-5-hydroxyflavone" . "3-chloroflavone" . "4-(propyloxy)-7-trans-styrylvisnagin" . "galangin trimethyl ether" . "3,6-dichloroflavone" . "compound 1d [PMID: 19456099]" . "MRS 1523 " . "R115777" . "R-115777" . "Zarnestra" . "compound 8m [PMID:16950617]" . "entry 2 [PMID: 24900681]" . "BMS 214662" . "BVM" . "FTI-276" . "SP-203" . "Theragyn®" . "HMFG1" . "aminobenzyl-5'-N-ethylcarboxamidoadenosine" . "compound 10jj [PMID: 1656041]" . "compound 4jj [PMID: 1656041]" . "alpha-methylserine-O-phosphate monophenyl ester" . "BMY-22089" . "compound 4a [PMID: 2231596]" . "BMY 21950" . "compound 4 [PMID: 1992149]" . "LS-131849" . "[Nac0,D-Arg2,Phe(4-Cl)6,Abu15,Nle27]hGHRH-(1-29) NH2" . "[Nac0-His1,D-Arg2,Phe(4-Cl)6,Abu15,Nle27]-hGH RH-(1-29)NH2" . "(+-)-molindone" . "IDEC-2B8" . "compound 69 [PMID: 3656359]" . "3,4-diaminopyridine" . "Firdapse®" . "Zenas®" . "3,4-DAP" . "compound 1a" . "thiadiazolidinone (TDZD) deriv. 6" . "Inflectra®" . "Remsima®" . "cA2" . "AN100226" . "ANTEGREN®" . "GA-101" . "Fab-12 variant Y0317" . "muMAb VEGF A.4.6.1" . "hBlySmAb-1.1" . "(-)-betaxolol" . "(S)-betaxolol" . "AL-1577A" . "Ikorel®" . "Dancor" . "Angedil" . "Nitorubin" . "Sigmart" . "SG-75" . "Opdivo®" . "Lynparza®" . "PF4708671" . "PF 4708671" . "GSK-269962A" . "GSK269962" . "GSK269962" . "GSK-269962" . "GSK 269962" . "aminofurazanyl-azabenzimidazole 6n" . "BIX02565" . "GSK 650394" . "GSK-650394" . "VE 821" . "PF 477736" . "PF477736" . "PF 00477736" . "PF-00477736" . "Savaysa®" . "AR00341677" . "CCT-241533" . "PF3644022" . "PF 3644022" . "OTSSP 167" . "OTSSP-167" . "AMX10201" . "WZ-4003" . "HY-15776" . "PF4800567" . "PF 4800567" . "BMS265246" . "HY-80013" . "KH CB19" . "SCH-772984" . "XMD 8-92" . "GDC-0941" . "AZD-6482" . "AMG900" . "AMG 900" . "MK5108" . "VX-689" . "VX 689" . "VX689" . "MLN120B" . "MRT-67307" . "BI2536" . "GSK-461364" . "GSK461364" . "BIX-02188" . "GNF5" . "GNF 5" . "CGI-1746" . "CGI 1746" . "AEW541" . "NVP AEW541" . "NVP-AEW 541" . "AEW-541" . "AEW 541" . "NVP-AEW541-A" . "CP-673,451" . "compound 10b [PMID: 1597859]" . "BIIB057" . "GNF 5837" . "GNF5837" . "Raf1 kinase inhibitor I" . "GW 5074" . "GW-5074" . "GNE7915" . "GNE 7915" . "NG25" . "LY-2109761" . "LY 2109761" . "R-406" . "R406 free base" . "HuHMFG-1" . "BIX-02565" . "BMS 265246" . "CCT 241533" . "BIX 02188" . "Betaxon®" . "(5Z)-7-oxozeaenol" . "LL-Z1640-2" . "Aterol" . "2-methylthio-ATP" . "DELTA.1-Cortisol" . "robalzotan tartrate hydrate" . "AZD-7371" . "compound 55 [PMID: 29077405]" . "(+)-cortistatin A" . "Uridine-5'-α,β-methylene-diphosphate triethylammonium salt" . "17-epi-cortistatin A" . "compound 19 [Hatcher et al., 2018]" . "GS5745" . "MDG548" . "MDG-548" . "compound 1 [PMID: 22582973]" . "N-methyl scopolamine" . "NN-2211 " . "NN2211" . "compound 5a [PMID: 29589441]" . "FR-31564" . "PT-100" . "PT100" . "Val-boro-pro" . "Val-boroPro" . "compound 1 [PMID: 18783201]" . "CS-3150" . "XL-550" . "GLP2-2G" . "inhibitor 23 [PMID: 29614224]" . "IbTX" . "N-methylscopolamine" . "PPDA-001" . "Benicar®" . "burosumab-twza" . "CT7001" . "(3-((5-(4-(aminomethyl)phenyl)-2,3-dihydrobenzofuran)-7-sulfonamido)thiophene- 2-carbonyl)-L-arginine" . "compound 1 [PMID: 29648813]" . "Tavalisse®" . "Crysvita®" . "MP-513" . "MP513" . "compound 8g [PMID: 22959556]" . "Teneli" . "TBR-652" . "RP6530" . "RP-6530" . "RP 6530" . "GSK1838705" . "NVP-LCL161" . "GDC 0623" . "GDC0623" . "G-868" . "RO4987655" . "compound 24 [PMID: 21316218]" . "example 18 [US8470837]" . "TAK733" . "compound 17 [PMID: 21310613]" . "BGJ-398" . "AZD1775" . "CX-4945" . "CC-930" . "ALL-3" . "AST-1306" . "AST1306" . "AST 1306" . "HH-GV678" . "HHGV-678" . "ABT-348" . "ABT 348" . "ABT348" . "A-968660" . "compound 2b [PMID: 21375264]" . "Ro4402257" . "Ro-4402257" . "Doryl" . "Ro 4402257" . "example 96 [WO2012007926A1]" . "P7170" . "ARRY-614" . "ARRY614" . "INK-128" . "volitinib" . "AZD6094" . "AZD-6094" . "HMPL-504" . "HMPL504" . "compound 28 [PMID: 25148209]" . "GCD516" . "GCD-516" . "GCD 516" . "MGCD516" . "SIM010603" . "SIM 010603" . "SIM-010603" . "ARRY-380" . "ONT-380" . "Example 11 [WO2007059257A2]" . "P1446A" . "P1446A-05" . "BBI503" . "BBI-503" . "MKI-833" . "MKI833" . "MKI 833" . "AS-602801" . "AS602801" . "PGL-5001" . "PGL5001" . "AS-703569" . "R-763" . "R763" . "compound 2 [PMID: 22695126]" . "AS703569" . "compound 60a [WO2005118544A2]" . "enantiomer E1 [WO2005118544A2]" . "XC-302" . "XC302" . "HMPL-309" . "HMPL309" . "compound 9 [PMID: 21028894]" . "compound 25 [PMID: 21028894]" . "GKT-137831" . "NSC-780521" . "NSC780521" . "compound 521 [PMID: 28709950]" . "GKT831" . "compound 67 [PMID: 20942471]" . "GKT-136901" . "GKT 136901" . "GKT-831" . "compound 21 [PMID: 22985027]" . "dimethylaminomicheliolide" . "IW-1973" . "IW1973" . "itaconic acid dimethyl ester" . "LY303511" . "LY 2886721" . "LY-2886721" . "LY518674" . "LY 518674" . "antibiotic 230" . "LY-593093" . "LY 593093" . "LY510929" . "LY 510929" . "MK 5046" . "MK5046" . "ML-10375" . "ML10375" . "ML 323" . "ML-323" . "ONO4817" . "ONO 4817" . "ONO8713" . "ONO 8713" . "RP 69758" . "RS100329" . "RS 100329" . "RXP 407" . "19-amino acid conopeptide" . "SB-218078" . "T 98475" . "T98475" . "Ro 4-6790" . "UK-356,202" . "UK-356,618" . "UR-PG136" . "VNA-932" . "Haynon" . "[Pyr1]-Apelin-13" . "VNA 932" . "VRT532" . "VRT 532" . "SB-221284" . "SB221284" . "SC 19220" . "guggulsterones E" . "Zinetac" . "SC19220" . "ST1535" . "ST 1535" . "UCB-35625" . "AS-1907417" . "AZD-9056" . "AZD 9056" . "AZD-6538" . "BB-94" . "BB 94" . "BB94" . "BN-50739" . "BX 912" . "compound 5aj [PMID: 17358052]" . "Cosentyx®" . "AIN457" . "AIN 457" . "NVP-AIN457" . "HX-531" . "HX531" . "rhPTH[1-84]" . "Natpara®" . "BYM338" . "BYM-338" . "IMMU-107" . "hPAM4-Cide" . "90Y-hPAM4" . "hPAM4" . "90Y-DOTA-hLL2" . "90Y-epratuzumab tetraxetan" . "90Y-hLL2" . "AMG-412" . "IMMU-hLL2" . "Xilonix® (proposed trade name)" . "11F8" . "IMC-11F8" . "LY3012211" . "CDP-835" . "CDP835" . "JES1-39D10" . "JES139D10" . "SCH55700" . "SCH 55700" . "CDP-7851" . "AMG-785" . "AMG 785" . "CDP 7851" . "MK-3222" . "SCH900222" . "SCH-900222" . "MK3222" . "Abstral®" . "Rectogesic®" . "Sancuso®" . "NVP-AST487" . "CI-1033" . "TAE-684" . "MLN8054" . "Ki20227" . "BIBW2992" . "CI 1033" . "PD 183805 dihydrochloride" . "AG-14361" . "PKC412" . "ML120B" . "ARRY-886" . "PD 184352" . "EXEL-2880" . "TORKinib" . "BIBF 1202" . "BMS-582664" . "BMS582664" . "BMS 582664" . "indazolylpyrimidine 13" . "SU14813" . "SU014813" . "ABR-215050" . "AGK-2" . "EX-527" . "EX 527" . "LY-2874455" . "CRF" . "AG-490" . "AG-112" . "GNF-PF-254" . "Akt/protein kinase B signaling inhibitor-2" . "API-2" . "R 59 949" . "4557W" . "EVP4593" . "PD 98059" . "BMS-863233" . "BMS863233" . "BMS 863233" . "XL-413" . "Pazeo®" . "ML-347" . "Ibrance®" . "FR-148083" . "PCM126" . "compound 26" . "compound 3g [PMID 18800763]" . "azepinostatin" . "G-749" . "Ro-700004" . "EX527" . "compound 25 [PMID 19237286]" . "GSK-579289A" . "(+)-staurosporine" . "BMS962212" . "BMS 962212" . "dimethylitaconate" . "Zeposia®" . "teicoplanin A2" . "RS 127445 " . "Vibativ®" . "TD-6424" . "TD6424" . "BRL 17421" . "RS-127445-190" . "BRL-17421" . "BRL17421" . "Negaban®" . "Ala-Tet®" . "Brodspec®" . "RS17053" . "Panmycin®" . "Sumycin®" . "TCN" . "achromycin" . "RS-23597-190 " . "RS-39640" . "RS 93427-007 " . "NSC-108579" . "RY-764" . "BRL-2288" . "S-16924" . "BRL2288" . "Timentin® (ticarcillin + clavulanate)" . "(-)AH23848" . "Ticar" . "Tygacil®" . "WAY-GAR-936" . "GAR-936" . "GAR936" . "adrenaline" . "Tobi Podhaler®" . "E-guggulsterone" . "affi gel blue" . "cibacron blue" . "Vantobra®" . "Bethkis®" . "Kitabis®" . "Tobradex® (tobramycin + dexamethasone)" . "NSC-106568" . "BW-56-72" . "BW-5672" . "Primsol®" . "Trimpex®" . "Proloprim®" . "Vancocin®" . "Vancor®" . "SMX" . "RO 4-2130" . "RO-42130" . "STX-608" . "Gantanol®" . "NSC-6091" . "Aczone®" . "CEZ" . "cephazolin" . "Ancef®" . "Kefzol®" . "SK&F-41558" . "ICI 156834" . "ICI-156834" . "ICI156834" . "Cefotan®" . "Apatef®" . "Garamycin®" . "Mefoxin®" . "MK-306" . "MK306" . "MK 306" . "CFX" . "Cenomycin®" . "LCM" . "U-10149" . "U 10,149A" . "Lincocin®" . "Lincorex®" . "L-Mycin®" . "Bactramycin®" . "Ethoxynaphthamido Penicillin Sodium" . "Unipen®" . "Nallpen®" . "Bactocill®" . "ELX-02 (disulfate)" . "HY-114231B" . "CS-0095334" . "Dysmenalgit" . "N-Acetyl-L-cysteine" . "N-Acetyl-cysteine" . "NAC" . "N-A-C Sustain®" . "Parvolex®" . "Ilube® (eye drops)" . "PMPA" . "(R)-PMPA" . "tenofovir (anhydrous)" . "X-14547A" . "DuP 105" . "DuP105" . "D-gluco-piperidinose" . "5-amino-5-deoxy-D-glucopyranose" . "NSC-57654" . "3',5,7-Trihydroxy-4'-methoxyflavanone" . "NP-13" . "NSC 61586" . "NSC-61586" . "DS8587" . "NSC 84963" . "NSC84963" . "NSC93169" . "NSC 93169" . "B26158" . "NSC-70929" . "antibiotic B 26,158" . "A82846A" . "DuP 721" . "acmimycin" . "CGP 31608" . "CGP31608" . "U 47929" . "U47929" . "U-47929" . "U-47,929" . "L-Val-L-Val-3-amino-2-oxo-valeryl-D-Leu-L-Val" . "MM-47761" . "M 861410" . "M86-1410" . "Lysobactin" . "SCH79797" . "SCH 79797" . "RP-9965" . "3-pyridineacetic acid" . "RKI1447" . "EHT 5372" . "compound 8c [PMID 25264830]" . "A-127" . "WY-47,846" . "thienopyrazolylindole inhibitor 477" . "KT7515" . "compound 1 [PMID 24044867]" . "compound 4k [PMID 21080703]" . "BIMT-17" . "PD0166285" . "PD-166285" . "PD 166285" . "PD-0166285" . "2-benzylpyrridine-substituted aryloxypropanol analogue" . "HE-NECA" . "compound 11b [PMID 22148921]" . "(2R,4R)-APDC" . "compound 15b [PMID 23742252]" . "NVP-LDK378-NX" . "2-methylthio-AMP" . "IPI 926" . "IPI-926" . "LDE-225" . "NVP-LDE225" . "epinephrine" . "(-)-DOI" . "NVP-LDE 225" . "3-amidinobenzylindole carboxamide 23" . "PF-04449913" . "PF 04449913" . "Zomigon" . "XL139" . "Flomaxtra" . "Urimax" . "compound 14" . "INCB-24360" . "Antiasthmatique" . "Esphygmogenina" . "Renaglandulin" . "Renostypticin" . "Supracapsulin" . "Supranephrane" . "Renostypricin" . "3-aminopropanephosphinic acid" . "Flomax®" . "tamsulosin hydrochloride" . "XL-139" . "NBI42902" . "BMS833923" . "RO0505124" . "LY 53857" . "LY-53,857" . "1-Adamantanecarbonyl-RF-NH2" . "SB431542" . "INCB 24360" . "norharmane" . "carbazoline" . "GNF-PF-2691" . "couroupitine a" . "1-L-MT" . "1-LMT" . "D-1MT" . "1MT" . "compound 6" . "compound 6 [PMID 24900432]" . "GSK 343" . "MEDI4736" . "MPDL3280A" . "PRO70769" . "2H7" . "LY294002" . "PI 3065" . "TGX 221" . "CB-676475" . "ZM306416" . "ZM 306416" . "SCI-208" . "LY 2584702" . "LY-2584702" . "RN-486" . "compound 29 [PMID 22394077]" . "BLZ 945" . "BLZ-945" . "BAT mAb" . "CT-011" . "CAT-354" . "BAK1.1" . "Tarvacin ch3G4" . "LymphoCide® (proposed proprietary name)" . "hMN14" . "CEACIDE®" . "IMMU 130" . "GSK-1223249" . "GSK1223249" . "GSK2315698" . "compound 52 [PMID 14998318]" . "Ro 63-8695" . "LY3314814" . "MEDI-545" . "MDX-1103" . "MEDI-546" . "MDX-1333" . "APN-311" . "compound 2 [PMID 25686022]" . "SPP-301" . "Ro 67-0565" . "Holoxan®" . "Otrasel®" . "Caelyx® (liposomal doxorubicin)" . "Myelostat®" . "5(S)-(2'-hydroxyethoxy)-20(S)-camptothecin" . "5(S)-(2'-hydroxyethoxy)-20(S)-CPT" . "Gazyvaro" . "MRS 2298" . "Calminal" . "MRS 2500" . "minigastrin" . "osteostatin" . "bone morphogenetic protein 14" . "BMP-14" . "bone morphogenetic protein 13" . "BMP12" . "GDF-7" . "LY-303511" . "5-formyltetrahydrofolic acid" . "monoclonal antibody BEC2" . "compound 26 [PMID: 23082860]" . "erismodegib (deleted INN)" . "Cholbam®" . "SB-277011" . "SB-202026" . "Girosa® (proposed trade name)" . "MEDI-4736" . "MCI-9042" . "LS-187,118" . "MAb-14.18" . "SB-204070A" . "GC1008" . "compound 64 [PMID: 29683659]" . "compound 1 [PMID: 19072540]" . "MM433593" . "PF06751979" . "compound 64 [PMID: 29613789]" . "GNF156" . "ABR 214936" . "ABR-214936" . "ABR214936" . "PNU 214936" . "PNU214936" . "PNU-214936" . "TTS-CD2" . "5T4FabV13SEAD227A" . "pMB125" . "TTS CD3" . "SB-242,084" . "TTS-CD3" . "ABR-217620" . "ABR217620" . "SB 408124" . "Anyara (proposed trade name)" . "IMGN-529" . "IMGN529" . "SB-699,551" . "K7153A-SMCC-DM1" . "tetulomab" . "piridil" . "Piristerol" . "HH1" . "Anplag®" . "Betalutin®" . "TRU-016" . "TRU016" . "CD37-SMIP" . "rauhimbine" . "Lucemyra®" . "erenumab-aooe" . "Doptelet®" . "YM477" . "AKR-501" . "E5501" . "dihydroartemisinin" . "Yonsa®" . "Zytiga®" . "WAY100635" . "WAY 100635" . "CD5789" . "compound 15b [PMID: 29706423]" . "JNJ-54861911" . "JNJ-54861911-AAA" . "RSC-385896" . "arotinoid acid" . "compound 3j [PMID: 28471079]" . "JPH203" . "ML-193" . "ML 193" . "compound 19 [PMID: 29522264]" . "benflumetol" . "OZ439" . "SCH900353" . "MK8353" . "MK 8353" . "KO947" . "KO 947" . "SSR97193" . "TAK 580" . "TAK580" . "MLN 2480" . "MLN-2480" . "MLN2480" . "BIIB024" . "example 10Da [US20090036419]" . "ONC-201" . "TIC10" . "TIC-10" . "PF04634817" . "PF-4634817" . "PF4634817" . "example 13 [US8293903]" . "GNF-Pf-5544" . "Ro-21-5998-001" . "WR-142490" . "PF06526290" . "CUDC-907" . "L-dopachrome isomerase" . "MMIF" . "GBR 12909" . "GBR12909" . "GBR-12909" . "compound 13 [PMID: 11170644]" . "IN1228" . "example 385 [US8883782]" . "GNE4997" . "GNE 4997" . "KT-7515" . "CEP1347" . "CEP 1347" . "example 19 [US8084472]" . "example 152 [WO2014111496]" . "AZD-9567" . "AZD 9567" . "PF04965842" . "compound 25 [PMID: 29298069]" . "aurora kinase/Cdk inhibitor" . "GDC-0853" . "NPS2143" . "Example 31 [WO2014039899]" . "compound 3 [PMID:16682193]" . "BMS509744" . "BMS 509744" . "compound 28 [PMID: 25844760]" . "AZD7806" . "AZD-7806" . "AZD 7806" . "A3309" . "AJG533" . "Goofice®" . "INT777" . "compound 30 [Yu et al., 2018]" . "compound 20 [Yu et al., 2018]" . "Epidiolex®" . "GNE 131" . "GNE131" . "compound 13 [PMID: 29737846]" . "GNE3511" . "GNE 3511" . "KX2361" . "KX2 361" . "KX-02" . "SCH 23388" . "Unituxin®" . "PET1073G12" . "ACA125" . "uridine diphosphate N-acetylglucosamine" . "UDP-acetylglucosamine" . "UPPAG" . "MEN-2234" . "SCH-50911" . "CMC-544" . "hLL1" . "IMMU-115" . "IMMU-106" . "hA20" . "G3139" . "SK&F 105854" . "Genasense® (proposed proprietary name)" . "SK&F-89748" . "LVVYPWT" . "EL625" . "Aezea® (proposed proprietary name)" . "Lopac-V-1889" . "BRX-220" . "BRX220" . "SR-142806" . "SR 142,806" . "BCX-1777" . "BCX1777" . "Fodosine® (proposed trade name)" . "SR 58611" . "immucillin H" . "immucillin-H" . "BM-06002" . "BM 06002" . "Amplimexon® (proposed trade name)" . "L-MTP-PE" . "UF-021" . "Mepact®" . "liposomal muramyl tripeptide phosphatidyl ethanolamine" . "MK 4827" . "MK-4827" . "SCH-503034" . "compound 56 [PMID 19873981]" . "R-667" . "Ro-3300074" . "EPZ 5676" . "GED-0301" . "ZD-9331" . "ZD9331" . "ZD 9331" . "GYKI 537773" . "LY300164" . "ML182" . "CK-2017357" . "UF 021" . "Rescula® (proposed trade name)" . "EGYT3886" . "EGIS-3886" . "Masican® (proposed trade name)" . "compound 12 [PMID 25616005]" . "S-(+)-apomorphine" . "all-cis-docosa-4,7,10,13,16,19-hexaenoic acid" . "all-cis-DHA" . "Retriacyl® (proposed trade name)" . "Omega 3 fatty acid" . "Omega-3 marine triglycerides" . "compound 4904 [Patent US8193182]" . "MRS-4062" . "MRS 4062" . "17-allylamino-17-demethoxygeldanamycin" . "ZD 6021" . "CGS-24012" . "INCB 3344" . "U-50488" . "compound 7a [PMID 23126648]" . "7β,26-dihydroxycholesterol" . "L-740,093" . "L 740093" . "compound 17 [PMID: 12570381]" . "GSK-4112" . "HC 067047" . "(1RS,2RS)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-cyclo-hexanol" . "Tramacet®" . "Maxitram®" . "Tilodol®" . "EPZ-015666" . "ChemBridge ID 9033823" . "acetylaminoethyl-methyl-phenylbutoxyphenyl-amine" . "RXDX-101" . "NMS-E628" . "EMD-1195686" . "EMD 1195686" . "Xadago®" . "CJ-023423" . "AT-001" . "LEE011" . "pyrimidone, 22" . "compound 22 [PMID: 25736998]" . "EMD 1214063" . "MSC2156119" . "anti-factor D" . "RG7417" . "FCFD4514S" . "compound 28 [PMID: 25353650]" . "MM-121" . "SAR256212" . "BI 655075" . "BA058" . "DSC-127" . "indole sufonamide 1" . "DSC127" . "NorLeu3-A(1-7)" . "DS-5565" . "CS055" . "HBI-8000" . "PF-0646003102" . "PF-06460031" . "GMI-1070" . "(1R,4S)-trans-norsertraline" . "SEP-225289" . "VX-509" . "VX 509" . "VX509" . "VRT-831509" . "adelatinib" . "Praluent®" . "Repatha®" . "EMD1214063" . "Uptravi®" . "tritiated 5-carbamidotryptamine" . "Ro-23773" . "CGP 19835" . "3-veratroylveracevine" . "HEAT" . "2-{p-(4-hydroxy-3-[125I]iodophenyl)ethylaminomethyl}-tetralone" . "2-[[2-(4-hydroxy-3-iodanylphenyl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-one" . "CGP-19835" . "MLV 19835A" . "CGP 71872" . "LY-300164" . "I-PTA-OH" . "S-apomorphine" . "MM121" . "[32P]2-iodo-N6-methyl-(N)-methanocarba-2'-deoxyadenosine-3',5'-bisphosphate" . "[3H]AF-DX 384" . "MM 121" . "VRT 831509" . "SB 207266-A" . "ONO7579" . "ONO 7579" . "4-bromo-2,5-dimethoxyphenylisopropylamine" . "ABBV 744" . "GR 125487 [H3]" . "ABBV744" . "PD144418" . "FXV-673" . "[3H]methylspiperone" . "FXV673" . "XRP-0673" . "Isap acid " . "XRP0673" . "compound 9c [PMID: 12039587]" . "I432" . "tocotrienoloic acid" . "trans-delta-tocotrienoloic acid" . "NHC" . "EIDD-1931" . "AZD-4205" . "[3H]-M-MPEP" . "Iodoaminopotentidine" . "GSK189254" . "GSK-189,254" . "enfortumab vedotin-ejfv" . "Padcev®" . "ASG-22CE" . "1H-indole-2,3-dione 3-(1,3-benzoxazol-2-ylhydrazone)" . "PO322" . "VX-497" . "VX497" . "MMPD" . "Koselugo®" . "GSK-525762" . "NHWD870" . "Tukysa®" . "Pemazyre®" . "JAK1-IN-3" . "compound 21 [PMID: 32297743]" . "example 32 [US9714236B2]" . "androst-16-en-3-ol" . "N-benzyloxycarbonyl-L-valyl-L-phenylalaninal" . "MDL28170" . "N-CBZ-Val-Phe-al" . "calpain inhibitor III" . "VBY825" . "ONO 5334" . "ONO5334" . "MLN3897" . "Acetosal" . "AVE-9897" . "AVE9897" . "Emerphed® (ephedrine sulfate injection)" . "sacituzumab govitecan-hziy" . "Trodelvy®" . "AZD7986" . "PF-06700841" . "example 94 [WO2015195228A1]" . "AP32788" . "TAK-788" . "TAK788" . "SY-1365" . "YY-20394" . "example #30 (S) [WO2014210255A1]" . "LOU064" . "example 9 [US20050261291A1]" . "theliatinib" . "example 1 [WO2016191524A1]" . "IL17MS3086" . "IL17-MS3086" . "TAK-079" . "anlotinib" . "PRN1008" . "PRN-1008" . "GDC0084" . "CK‐101" . "BMS-986195" . "ASN002" . "ASN-002" . "LOXO-292" . "TAK-931" . "TPX-0005" . "LOXO-195" . "G1T38" . "OPN305" . "GKT137831" . "BLU-554" . "TP-0903" . "TNT009" . "PRX-003" . "PRO 140" . "PRO140" . "PRO-140" . "avarofloxacin (former name)" . "JNJ-Q2" . "JNJQ2" . "Debio1450" . "Debio 1450" . "WCK-2349" . "DEBIO-1452" . "DEBIO1452" . "AFN-1252" . "AFN-12520000" . "afabicin desphosphono" . "WCK 2349" . "WCK2349" . "WCK 771" . "WCK771" . "WCK-771" . "(S)-(-)-nadifloxacin" . "WIN 49, 375" . "WIN-49375" . "WIN49375" . "WIN 49,375-3" . "compound 7 [PMID: 2834557]" . "PC-904" . "PC904" . "WY-44,417" . "WY-44417" . "Hornel" . "GR68755" . "GW-4064 " . "C412815" . "calcitriol hexafluoride" . "F3MethylAA" . "C473027" . "LCI699" . " 1,4-BDPOB" . "LCI-699" . "FAD-286" . "CGS-16949A" . "DOTA-conjugated peptide" . "5α-androstan-3α-ol" . "dehydrolithocholic acid" . "LX-4211" . "LX 4211" . "3-keto-LCA" . "desametasone" . "ET-743" . "LX4211" . "BMN 673" . "ZM 447439" . "ZM-447439" . "1α,25-(OH),-20-epi-22-oxa-24,26,27-trishomovitamin D" . "BMN-673" . "VDZ" . "MC903 " . "BPS-314d" . "1α,24(OH)2D3" . "APS-314D free acid" . "F6-1α,25(OH)2D3" . "1R,25-dihydroxy-21-(3-hydroxy-3-methylbutyl)vitamin D3" . "2β-(3-hydroxypropoxy)calcitriol" . "22-oxa-1α,25(OH)2D3" . "ASP015K" . "JNJ-54781532" . "3,7,12-trihydroxycholestane" . "CG100649" . "CG-100649" . "CG 100649" . "Acelex® (S. Korea)" . "UNC 1999" . "UNC-1999" . "TTP488" . "LB 42908" . "trabectedin" . "Novorin" . "L 739750" . "Setrovel" . "Navoban®" . "KB-146016" . "AZD-4017" . "compound 5g [PMID 23275831]" . "GDC-0199" . "ABT-199" . "ABT-263" . "ABT 263" . "ABT263" . "compound 2 [PMID 17256834]" . "difluoromethylornithine" . "ESP-55016" . "ETC-1002" . "Corlanor®" . "Reclast®" . "Xagrid®" . "H1 relaxin" . "H1 relaxin (A chain)" . "H1 relaxin (B chain)" . "H2 relaxin" . "H2 relaxin (A chain)" . "H2 relaxin (B chain)" . "H3 relaxin" . "H3 relaxin (A chain)" . "H3 relaxin (B chain)" . "ML 290" . "compound 8 [PMID: 23764525]" . "IPH-2201" . "TCV-116 (prodrug)" . "ZD7155" . "ZD 7155" . "BART" . "BIIB-037" . "BIIB037" . "H3 relaxin/INSL5 chimera" . "minimised relaxin-3 analogue 2 A chain" . "minimised relaxin-3 analogue 3 A chain" . "[125I]relaxin (human)" . "Intron A®" . "Rebif®" . "Avonex®" . "Extavia®" . "Betaseron®" . "IFNb1b" . "IFNγ2a" . "Actimmune®." . "[125I]H3-relaxin (human)" . "[33P]H2 relaxin (human)" . "A(4-24)(B7-24)H2 relaxin" . "A(4-24)H2 relaxin" . "AT-001" . "europium-labelled H3-B/INSL5 A chimera" . "Roferon A®" . "Roferon-A" . "Proleukin®" . "DFDC" . "compound 53 [PMID 16420052]" . "GSK-1070916" . "GSK 1070916" . "compound 17k [PMID 20420387]" . "SAR240550" . "BSI-201" . "BSI201" . "BSI 201" . "ABT-627" . "A-147627" . "HuLuc63" . "BMS-901608" . "NBI-56418" . "NBI 56418" . "NBI56418" . "compound 10b [PMID 19006286]" . "Examlpe 294 [WO2011112662]" . "A443654" . "24,25-epoxy-cholesterol" . "acetyl podocarpic acid anhydride" . "16α-carbonitrile, pregnenolone" . "FAD 286" . "ABT 737" . "ABT737" . "FAD286" . "CGS 16949 A" . "chlordan" . "1α-fluoro-16-ene-20-epi-23-ene-26,27-bishomo-25-hydroxyvitamin D3" . "C410228" . "4'-methylgenistein" . "1αOHD2 " . "1,25-dihydroxyvitamin D3-26,23-lactone" . "(B7-24)H2 relaxin" . "cephalin" . "intronA" . "intron-A" . "A 443654" . "alpha-cholestane" . "1-α-hydroxyergocalciferol" . "myristate " . "(+)-mevinolin" . "BMS 649 " . "4-OHT" . "5,7,4'-trihydroxyisoflavone" . "octachlorocamphene" . "GSK9089" . "HCC-1(1-74)" . "7S,8R,17S‐trihydroxy‐4Z,9E,11E,13Z,15E,19Z‐docosahexaenoic acid" . "(7alpha,17beta)-17-hydroxy-7,17-dimethylestr-4-en-3-one" . "androst-4-ene-3,17-dione" . "5S,12R,18R‐trihydroxy‐6Z,8E,10E,14Z,16E‐eicosapentaenoic acid" . "DHA" . "GNF-Pf-5634" . "KS176" . "21-hydroxyprogesterone" . "RU-486" . "KS-176" . "Ko143" . "Ko-143" . "R5020" . "norethindrone" . "VU-0483605" . "l-norgestrel" . "ZK98299" . "J867" . "ZK299" . "Lkn-1 [Leukotactin-1]" . "MK-1242" . "HC21" . "BAY-1021189" . "MK 0663" . "β-arteether" . "DCC-2618" . "(-)-5'-DMH-CBD" . "1%22',1'%22-Dimethylheptylcannabidiol" . "5-(1,1-Dimethylheptyl)cannabidiol" . "DMH-CBD" . "(-)-5'-CBD-DMH" . "Braftovi®" . "6α-methylcompactin" . "Mektovi®" . "9α-Flourocortisol" . "11-deoxycorticosterone" . "Celebrex" . "Solexa" . "Nucoxia" . "Tauxib" . "hydroxymethylprogesterone" . "2-[[(2R)-2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1λ6,5-benzothiazepin-8-yl)oxy]acetyl]amino]-2-phenylacetyl]amino]acetic acid" . "fluoxiprednisolone" . "Qbrexza® (glycopyrronium cloth)" . "Kudeq" . "YM298198" . "Ceoxx®" . "AbGn-168" . "neihulizumab" . "Aristada® (aripiprazole lauroxil)" . "Flavoquine®" . "Camoquin®" . "Amdaquine®" . "Amoquin®" . "WR-171669" . "ELQ300" . "ACT451840" . "Actelion-451840" . "Fotivda®" . "KRN951" . "AV951" . "RI-307" . "RN307" . "PF-4427429" . "BMS-986016" . "BMS986016" . "RU-0204277" . "NS-2028" . "MMV121" . "AZ13721412" . "Halfan®" . "AM-6545" . "AM 6545" . "MJN-110" . "MJN 110" . "DDD498" . "Alphaquine®" . "Tibsovo®" . "AG-120" . "AG120" . "AG 120" . "Orilissa®" . "(1R,2R)-2-PCCA" . "Mulpleta®" . "S-888711" . "S888711" . "S 888711" . "KPT-330" . "KPT330" . "compound 70 [WO2013019561A1]" . "KPT-8602" . "KPT8602" . "KPT 8602" . "CBA" . "NBA" . "carfentanyl" . "Wildnil®" . "R-31833" . "R31833" . "(4-methoxycarbonyl)fentanyl" . "R 33,799" . "NS-018" . "NS018" . "PBI4050" . "PBI 4050" . "3-pentylbenzeneacetic acid" . "VU 0483605" . "KAF156" . "M&B-22948" . "FTY-720" . "IT1t" . "IT1a" . "SR6452" . "tiglic acid" . "(2S)-OMPT" . "JTE 013" . "embonic acid" . "dihydroS1P" . " phytoS1P" . "FTY720-P" . "1,2,4-oxadiazole_based compound 26" . "W146_02-01" . "L-lactate" . "lactate" . "compactin" . "ML-236B" . "R-lactic acid" . "(S)-lactate" . "(S)-lactic acid" . "1-oleoyl-LPA" . "2-acyl-1LPA" . "2Acyl-LPA" . "ITAC" . "compound 10t [PMID: 15125924]" . "VX-950" . "SL65.0155" . "SB-939" . "SB939" . "SB 939" . "JNJ 17156516" . "APD-356" . "INS50589" . "ZD4522" . "TPNH" . "hydroxymethylglutaryl-CoA" . "INS 50589" . "3-hydroxy-3-methylglutaryl-coenzyme A" . "GBR-12935" . "mevalonic acid" . "co-enzyme-A" . "GBR 12935" . "ESI 09" . "PCI-24781" . "CoA" . "PCI24781" . "triphosphopyridine nucleotide" . "coenzyme II" . "beta-nicotinamide adenine dinucleotide phosphate" . "PCI 24781" . "mevalonate-P" . "mevalonate-5P" . "CRA-024781" . "mevalonate-5-phosphate" . "CRA 024781" . "CRA024781" . "isopentenyl pyrophosphate" . "IPPP" . "dimethylallyl-PP" . "di-CH3-allyl-Ppi" . "FR-260010" . "FR 260010" . "prenyl diphosphate trianion" . "furmethide" . "geranyl pyrophosphate" . "β-chemokine exodus-3" . "trans-farnesyl pyrophosphate" . "all-trans-farnesyl pyrophosphate" . "guanosine diphosphate" . "GW-2331" . "acetoacetyl-CoA" . "GW 2331" . "GPP" . "GW 3965" . "GGPP" . "GW-3965" . "GW-9662" . "GW 0072" . "HQA" . "LE 135" . "3-trifluoromethylphenylpiperazine" . "SEA-0400" . "SC-46275" . "all-trans-geranylgeranyl diphosphate" . "BAY-12-9566" . "BAY-129566" . "neryl pyrophosphate" . "delta-prenyl diphosphate" . "geranylgeranyl pyrophosphate" . "geranylgeranyl-PP" . "all-trans-geranylgeranyl-PP" . "spinacene" . "FCI 119a" . "mevalonate 5-diphosphate" . "itavastatin" . "Aluzime" . "(E,E)-farnesyl diphosphate" . "ck β-11" . "nicotinamide adenine dinucleotide phosphate (NADP)" . "[3H]RvE1" . "omega-grammotoxin SIA" . "compound 1 [PMID: 23524983]" . "TMP-269" . "TMP 269" . "GSK 126" . "GSK-126" . "F-15,599" . "D-aspartate" . "compound 65 [PMID 24666157]" . "MLS000051547" . "europium-labelled H2 relaxin" . "S-stepholidine" . "L-stepholidine" . "Eu R3(B1-22R)" . "Ono-EI-600" . "MP0112" . "AGN-150998" . "NSC13316" . "[S]-enantiomer of PD-126,055" . "[S]-enantiomer of EMA400" . "NPVF" . "Farydak®" . "Lenvima®" . "velcalcetide" . "PF-04971729" . "PF-489791" . "PF-489,791" . "FX-1006" . "GDC0941" . "VS5584" . "SB2343" . "sphinganine-phosphate" . "CYM-5442" . "EGIS-7625" . "(+)-UH 301" . "Ro-016128" . "BRL15572" . "L-694247" . "GR113808" . "GR113808" . "GR125743" . "GR125743" . "GR55562" . "INS-50589" . "LY334370" . "KAI-4169" . "NAD299" . "Ro600175" . "Ro630563" . "RS100235" . "RS102221" . "RS127445" . "RS57639" . "RS57639" . "SB204070" . "SB207710" . "SB224289" . "SB242084" . "SB258719" . "SB699551" . "SB714786" . "UH301" . "WAY163909" . "SB-2343" . "SB 2343" . "VS 5584" . "CB839" . "CB 839" . "Nebramycin II" . "Nebramycin factor 2" . "EL857" . "EL-857" . "N-[N-Methyl-D-Phe-Ile-Ser-D-Gln-D-aIle-Ile-Ser-]cyclo[D-Thr*-Ala-[3-(2-iminoimidazolidine-4beta-yl)-Ala-]-Ile-]" . "compound of formula II [WO2014089053A1]" . "EXP-999" . "NG-101" . "P2X3 antagonist 34" . "BLU5937" . "Ziagen®" . "1592U89" . "compound 7 [PMID: 17459702]" . "Ac-(cyclo-2,6)-F-[OPdChaWR]" . "HP6H8" . "apatinib (in China)" . "AX024" . "AX-24" . "Z-Phe-DL-Ala-fluoromethylketone" . "MDL 201053" . "presqualene pyrophosphate" . "MDL201053" . "MDL-201053" . "ZFA-fmk" . "compound 8a [PMID: 28697302]" . "all-trans-squalene" . "compound 4 [PMID: 19800804]" . "Novofur" . "Example 57 [US20070015758A1]" . "Mbi-4" . "NKH-477" . "5-CT" . "colforsin dapropate hydrochloride" . "Decanoyl-RVKR-CMK" . "decanoyl-Arg-Val-Lys-Arg-CMK" . "Debio-1143" . "Debio1143" . "18β-Glycyrrhetinic acid" . "glycyrrhetinic acid" . "glycyrrhetic acid" . "MYK-461" . "MYK461" . "BMS-790052" . "BMS790052" . "Daklinza®" . "ABT-493" . "ABT493" . "Mavyret® (glecaprevir + pibrentasvir)" . "Maviret®" . "Mavyret® (glecaprevir + pibrentasvir)" . "ABT-530" . "ABT530" . "GS-5816" . "GS5816" . "Epclusa® (sofosbuvir + velpatasvir)" . "Vosevi® (sofosbuvir + velpatasvir + voxilaprevi)" . "ABT-333" . "ABT333" . "Exviera®" . "GS-5885" . "GS5885" . "Harvoni® (ledipasvir + sofosbuvir)" . "ABT-267" . "ABT267" . "Technivie® (ombitasvir + paritaprevir + ritonavir)" . "compound 38 [PMID: 24400777]" . "ABT-450" . "ABT450" . "veruprevir (deprecated INN)" . "Viekirax® (ombitasvir + paritaprevir + ritonavir; EU)" . "Viekirax® (ombitasvir + paritaprevir + ritonavir; EU)" . "GSK-547" . "GSK547" . "example 6 [WO2020044206A1]" . "cyclo[Ala-Ser-Ile-Pro-Pro-Gln-Lys-Tyr-D-Pro-Pro-Nle(Bu)-Glu-Thr]" . "POL6014" . "POL-6014" . "FPA-144" . "FPA144" . "JNJ-61186372" . "EMA401" . "EMA-401" . "Jyseleca®" . "AZD-9977" . "(S)-1 [PMID: 30596500]" . "example 727 [WO2012093101A1]" . "BAY6672" . "compound 46 [PMID: 32969660]" . "CC90011" . "compound 11 [PMID: 33034194]" . "Subutex®" . "VU10010" . "compound 14 [PMID: 19201489]" . "cerebrosterol" . "cholest-5-ene-3,24-diol" . "24S-Hydroxycholesterol" . "Sustiva®" . "Ro-67-4853" . "MK 0859" . "serotonin-5-O-carboxymethyl-glycyl-(125I)tyrosinamide" . "[3H]-ZM241385" . "[3H]-MRS1754" . "[3H]GR125743" . "[3H]NMS" . "3-amino-N-(benzo[d][1,3]dioxol-5-ylmethyl)-4,6-dimethylthieno[2,3-b]pyridine carboxamide" . "cyclopentyl 1,6-dimethyl-4-(6-nitrobenzo[d][1,3]-dioxol-5-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate" . "4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazine-1-carboximidamide dihydrochloride" . "TA279" . "C16-1,4-Diazabicyclo[2.2.2]octane" . "[(3)H]-labeled RvE1" . "MK0859" . "[N-allyl-2,3-3H]naloxone" . "[N-methyl-3H3]AZ10419369" . "(R)-[3H]α-methylhistamine" . "14-methoxy IG (isogarcinol)" . "rMT7" . "LTK14" . "MRS1191" . "2Cl-IB-MECA" . "UNC-0321" . "UNC 0321" . "compound 21r [PMID 21080647]" . "ZM241385" . "3-deazaneplanocin A" . "SCH58261" . "α-methylene-γ-butyrolactone 3" . "CGS15943" . "CGS21680" . "Mithracin®" . "HENECA" . "NECA" . "aureolic acid" . "mithramycin A" . "MMA" . "I-BET762" . "GSK602" . "[125I]-AB-MECA" . "[3H]-CGS21680" . "[3H]-DPCPX" . "[3H]-CCPA" . "(R,R)-quinuclidinyl-4-[18F]-fluoromethyl-benzilate" . "compound 45 [PMID 25856009]" . "[3H]5-carboxamidotryptamine" . "MK-0859" . "LY-2484595" . "8-cyclopentyl-1,3-dipropylxanthine" . "N6-cyclopentyladenosine" . "LY2484595" . "adenosine-5'-N-ethyluronamide" . "MK-3102" . "N-[(1s,2s)-2-hydroxycyclopentyl adenosine" . "SB-277,011A" . "[R16]chicken secretin" . "Ro67-7476" . "2-chloro-N6-cyclopentyladenosine (2-Cl-CPA)" . "MK3102" . "MK 3102" . "MK-8835" . "GSK-221,149-A" . "GSK-221149A" . "GSK 221149A" . "GSK221149A" . "poly(2'-methylthioadenylic acid)" . "Tractocile®" . "Antocin®" . "22β-hydroxycholesterol" . "sphinganine 1-phosphate" . "Ac-His1[Glu8,Lys12,Nle17,Ala19,Asp25,Leu26,Lys27,28,Gly29,30,Thr31]VIP-NH2(cyclo 21-25)" . "Ro 64-6198" . "SB-269652" . "DNIB0600A" . "RG7599" . "RG-7599" . "RG7596" . "RG-7596" . "ACD79B-VCMMAE" . "RO5541077-000" . "GC33" . "RO5137382" . "RO-5137382" . "RG7686" . "RG-7686" . "desulfated gastrin-14" . "little gastrin I" . "RG7413" . "RG-7413" . "PRO145223" . "rhuMAb Beta7" . "GS 6624" . "GS-6624" . "AB0024" . "GS-6615" . "GS6615" . "GS 6615" . "Duodopa®" . "AMG 386" . "AMG-386" . "2xCon4[C]" . "TN8-Con4" . "PF-04383119" . "PF04383119" . "RN624" . "compound 99 [PMID 25380412]" . "F15599" . "[3H]F13640" . "5-N-butyryloxy-N,N-dimethyltryptamine" . "compound 10 [PMID 21422162]" . "ACP 103" . "Nuplazid (proposed trade name)" . "ACP-103" . "ACP103" . "TD-5108" . "compound 15 [PMID 22959244]" . "Resolor®" . "compound 18 [PMID 23756062]" . "YKP10811" . "compound 18 [PMID 16055331]" . "compound 7 [PMID 10052959]" . "GW-9508" . "NGD941" . "L750667" . "PD168077" . "domperidone" . "(+)S14297" . "PD128907" . "(+)7-OH-DPAT" . "[3H]-SCH23390" . "LY-367385" . "SCH23390" . "R(+)SKF81297" . "R(+)SKF38393" . "SB277011" . "K-185" . "inhibitor 15d [PMID: 18314943]" . "calhex-231" . "SK-83566" . "JNJ 18038683" . "AM-281" . "[125I]-SCH23982" . "(+)-7-hydroxy-2-aminopropylaminotetralin" . "AC0010MA" . "avitinib (superceded INN)" . "des-(Gln25-Gln41)-maxadilan" . "Ca2+" . "mogamulizumab-kpkc" . "NPS R568" . "L-Glu" . "Gd3+" . "des-(Leu24-Leu42)-maxadilan" . "O1812" . "WIN55212-2" . "[3H]-rimonabant" . "HU308" . "JWH133" . "L759633" . "L759656" . "AM630" . "AZD-6738" . "AZD 6738" . "LYC55716" . "LYC 55716" . "compound 32J [WO2016201225A1]" . "6-iodopravadoline" . "Jornay PM® (a.k.a. HLD200)" . "coagulation factor Xa (recombinant), inactivated-zhzo" . "S20098" . "C18:1" . "C16:0" . "C4" . "Andexxa®" . "GR196429" . "LY156735" . "[3H]-melatonin" . "4P-PDOT" . "5-methoxyluzindole" . "1S,3R-ACPD" . "L-CCG-I" . "aDabi-Fab" . "BAY 36-7620" . "ICZ-carbazole" . "CP-55940" . "GW1100" . "LY-341495" . "LY-320135" . "ICZ" . "I3C" . "3-hydroxymethylindole" . "3-indolemethanol" . "3-indolylcarbinol" . "1,3-Dimethyl-2[(oxopropyl)thio]imidazolium" . "ZM39923" . "Verkazia® (opthalmic solution)" . "α-KTx 23.1" . "AZD3241" . "AZD-3241" . "PF06282999" . "PF 06282999" . "compound 8 [PMID: 26509551]" . "compound 15w [PMID: 30074791]" . "CG-200745" . "CG-2" . "HDCG-0745" . "OLT1177" . "OLT-1177" . "APD-371" . "APD 371" . "compound 6 [PMID: 29259753]" . "CORT 118335" . "C-118335" . "compound 7 [PMID: 23131342]" . "C118335" . "example 263 [WO2016187308A1]" . "AMG986" . "AMG-986" . "Takhzyro®" . "lanadelumab-flyo" . "Inveltys®" . "Sentinel®" . "Oxervate®" . "Altreno® (0.05% lotion)" . "ABX1431" . "ABX 1431" . "compound 28 [PMID: 30067909]" . "Cardenal" . "example 82 [WO2013103973A1]" . "compound 9aq [WO2013103973A1]" . "compound (7S,8R)-27a" . "compound 1 [PMID: 24794745]" . "beta-artemether" . "Gemcin" . "β-artemether" . "seraspenide" . "goralatide" . "AFM-13" . "AFM 13" . "A769662" . "A 769662" . "ACT-132577" . "compound 2 [PMID: 24512214]" . "compound 23 [PMID: 30125504]" . "compound 57 [PMID: 30106292]" . "chlorguanide" . "example 90 [US20160264548]" . "CORT118335" . "Arakoda®" . "MRS-2279" . "EGLU" . "LY487379" . "NAAG" . "(RS)PPG" . "L-AP4" . "LSOP" . "PL-017" . "(-) PHCCC" . "LY-379268" . "ZK-118182" . "SEW-2871" . "SIB1757" . "SIB1893" . "fenobam" . "3-hydroxybutyrate" . "BWA-868C" . "IBC293" . "AS 19" . "[3H]-U69593" . "UFP101" . "2-MeSADP" . "2-MeSATP" . "compound 21 [PMID 17649988]" . "[3H]-MRS2279" . "compound 5 [PMID 17649988]" . "Ap4A" . "ARC67085" . "compound 25 [PMID 18800769]" . "BW245C" . "L644698" . "SQ27986" . "U46619" . "[3H]-PGD2" . "S5751" . "13,14-dihydro-15-oxo PGD2" . "15R-15-methyl PGD2" . "CAY10471" . "cmpd101" . "Takeda compound 101" . "[3H]-PGE2" . "mc-PAF" . "ABT670" . "ONO8711" . "SC51322" . "CJ042794" . "CP533536" . "ONO-AE-248" . "STA2" . "ABT 670" . "L798106" . "AH23848" . "L161982" . "GW627368" . "latanoprost-free acid" . "AFP07" . "BMY45778" . "[3H]-Iloprost" . "[125I]-I-BOP" . "GR32191" . "ONO3708" . "SQ29548" . "[125I]-SAP" . "BMS180291" . "[3H]-Tyramine" . "C20:4" . "NAADP+" . "NAD+" . "JTE013" . "compound 6b [PMID 17149874]" . "A-381,393" . "A 381393" . "BPTU" . "annexin 1" . "ZGN-440" . "[3H]-nicotinic acid" . "ZGN 440" . "valeric acid" . "CKD-732" . "Meresa" . "4-phenyl-2-propionamidotetraline" . "O-(4-(2-Dimethylaminoethoxy)-trans-cinnamoyl)fumagillol" . "3-hydroxyphenylglycine" . "ESP-305" . "RE-021" . "acetate" . "butyrate" . "nicotinate" . "ADPβS" . "ATPγS" . "UTPγS" . "compound 7 [PMID 15634011]" . "17-Ph-ω-trinor-PGE2" . "(+)-2-methyl-4-carboxyphenylglycine" . "AZD-1722" . "RDX-5791" . "AZD1722" . "MLN2238" . "LY354740" . "AMN-082" . "Ro-1138452" . "U-69593" . "MRS-2500" . "MRS-2578" . "MLN-2238" . "MLN 2238" . "OMP-21M18" . "OMP-59R5" . "FG-4592" . "FG4592" . "GSK-1278863" . "GSK1278863" . "GSK 1278863" . "BAY 85-3934" . "BAY-853934" . "ASP-1517" . "ASP1517" . "REGN-910" . "REGN910" . "SAR307746" . "TRX4" . "ChAglyCD3" . "Rec 15/2739" . "BMS931699" . "BMS-931699" . "CP-675" . "CP-675,206" . "CP-675206" . "ticilimumab" . "BIIL-260" . "BIIL 284" . "BIIL-284" . "Akt inhibitor V" . "TCS 359" . "TCS-359" . "AC480" . "PD184352" . "(R)-ruxolitinib" . "INCB018424" . "CI994" . "NS-41080" . "NS41080" . "CNS-7056" . "UK18892" . "retrophin" . "DARA-a (Dual Acting Receptor Antagonist of angiotension and endothelin receptors)" . "(R,S)-4-phosphonophenylglycine" . "(S)-3,4-dicarboxylphenylglycine" . "S-2-amino-4-phosphonobutyrate" . "5-OMe-uridine-5'-O-(α-boranodiphosphate)" . "2-chloro-5-hydroxyphenylglycine" . "BAY85-3934" . "Aurora A inhibitor I" . "2,4-Bisanilinopyrimidine, 10" . "Tiglutik® (thickened oral suspension)" . "2-methylthio-adenosine-5'-diphosphate" . "2-methylthio-adenosine-5'-triphosphate" . "adenosine 5'-(3-thio)triphosphate" . "ME1100" . "NXL104" . "NXL-104" . "NXL 104" . "CAZ" . "Pentacef®" . "11,15-O-dimethyl-PGE2" . "Tazicef®" . "LY-139381" . "(s)-α-ethylglutamate" . "LY139381" . "GR 20263" . "11α,9α-epoxymethano-PGH2" . "11α-carba-9α,11β-thia-Txa2" . "GR20263" . "GR-20263" . "Fortum®" . "2-phenylethylamine" . "pyrazolopyridine analog" . "Fortaz®" . "AVI" . "LY314593" . "SQ 26776" . "SQ26776" . "SQ-26776" . "Azactam®" . "Cayston®" . "REP8839" . "REP-8839" . "REP 8839" . "U-12898" . "U12898" . "bluensin" . "UK-18892" . "UK-18,892" . "ACT-179811" . "ACT179811" . "carboxybenzylpenicillin" . "CBPC" . "BRL-2064" . "BRL2064" . "CP 15639-2" . "CP-156392" . "Pyopen®" . "CP-45,899" . "CP-45899" . "Betamaze" . "SK&F 59962" . "cefclidine" . "E1040" . "E-1040" . "CFPM" . "BMY-28142" . "BMY28142" . "Maxipime®" . "Renapime®" . "YKP3089" . "YKP-3089" . "Xcopri®" . "VNRX-5133" . "VNRX5133" . "GR69153" . "GR-69153" . "GR-69153X" . "S-649266" . "GSK-2696266" . "RSC 649266" . "RSC-649266" . "RSC649266" . "GSK2696266" . "compound 3 [PMID: 29960205]" . "Fetroja®" . "E-1077" . "E1077" . "S-1090" . "S1090" . "U 63196E" . "U-63196E" . "CPIZ" . "U-63,196" . "Vantin®" . "RU-51746" . "ETX-0282" . "ETX-1317" . "CGP7174/E" . "CGP-7174-E" . "Cefonomil®" . "cefatiolene" . "RP 42980" . "RP-42980" . "RP42980" . "RP 42,980" . "42980RP" . "AS-924" . "KY-020" . "Cefizox®" . "FK 749" . "FK-749" . "FK749" . "FR 13749" . "FR-13749" . "FR13749" . "Epocelin®" . "SK&F 88373-Z" . "compound 22 {PMID: 2342058]" . "BAL9141-000" . "BAL9141000" . "BAL 9141" . "BAL9141" . "BAL-9141" . "Ro-63-9141" . "Ro-639141" . "Zeftera®" . "Zevtera®" . "CXA-101" . "CXA101" . "FR-264205" . "FR264205" . "FR 264205" . "CXA-201" . "(2S,1'S,2'S,3?R)-2-(2'-carboxy-3'-phenylcyclopropyl)glycine" . "CGP-7930" . "(N)-methanocarba-2-MeSADP" . "(RS)-3,4,5-trihydroxyphenylglycine" . "5-methoxy-carbonylamino-N-acetyltryptamine" . "5-oxo-6e,8z,11z-eicosatrienoic acid" . "ME-0328" . "compound 5b [PMID 24188023]" . "ATL analog [15-epi-16-(para-fluoro)-phenoxy-LXA4]" . "leukotriene C4" . "leukotriene D4" . "leukotriene E" . "SCH900271" . "Toctino®" . "8-aza-1-decarboxy-11-deoxy-16,16-difluoro-16-phenyl-ω-tetranor-1-(5-tetrazolo) PGE1" . "18R-hydroxyeicosapentaenoic acid" . "5,6-dihydro-4,5-didehydro-11-deoxy-11-oxa-16-(3-chlorophenoxy)-ω-tetranor-PGF2α" . "LY2835219" . "[125I]pituitary adenylate cyclase activating polypeptide-27" . "MTx2" . "(SN)VIPhybrid" . "MRS-5698" . "somatoliberin" . "somatorelin" . "MRS 5698" . "[3H]L-657,743" . "AZD-2461" . "fMetLeuPhe" . "(R)-(-)-baclofen" . " 2-hydroxy-s-(-)-saclofen" . "CGP35348" . "CGP54626" . "CGP62349" . "CGP64213" . "CGP71872" . "SCH50911" . "[125I]CGP64213" . "[125I]CGP71872" . "CGP44532" . "CGP55845" . "[3H]CGP54626" . "[3H]CGP62349" . "AZD 2461" . "growth hormone-releasing hormone (GHRH)" . "AZD-8330" . "ARRY-704" . "ARRY 704" . "ARRY704" . "ARRY-424704" . "ARRY 424704" . "ARRY424704" . "AZD 8330" . "AZ 628" . "AZ-628" . "AZ 960" . "AZ-960" . "AZ-20" . "AZ 20" . "compound 6 [PMID: 46244454]" . "AZD 2858" . "AZD-2858" . "compound 18 [PMID: 22489897]" . "Kengreal®" . "AMG-416" . "AMG 416" . "gamma-phenylbutyric acid" . "4-phenylbutanoic acid" . "Buphenyl®" . "Ammonaps®" . "triButyrate" . "compound 10 [PMID: 25101911]" . "NBTI" . "[3H]NBTI" . "Dy22" . "Z360" . "CP-88059-27" . "CP-880591" . "ABT578" . "ZM253270" . "ZK756326" . "ZK 93426" . "YM 90709" . "AM 095" . "AM-095" . "AMG837" . "Ahx-FSQn(boro)Bpg" . "PTR-3173" . "DG3173" . "AC-263093" . "AC 263093" . "AC 42" . "AC-710" . "AC 710" . "AG14" . "AG 14" . "AGN191976" . "AGN-192093" . "AGN 192093" . "AGN211334" . "AH11110" . "AH-11110" . "AH-13205" . "AKN028" . "AKN 028" . "AL37350A" . "ALX-1405" . "ALX1405" . "AM 281" . "AMI1" . "AMI 1" . "AP-18" . "AP 18" . "AR-231453" . "AR-C239" . "AS 100" . "AS-100" . "AS 101" . "AS-1535907" . "AS 16" . "AS-16" . "AS19" . "AS-70" . "AS 70" . "AS 94" . "AS-94" . "AS 95" . "AS-95" . "AS 96" . "AS-96" . "AS 99" . "AS-99" . "ASN 02563583" . "ASP 3026" . "AT7519" . "AZ 10417808" . "AS-101" . "CM 4620" . "1,1'-diethyl-2,2'-cyanine" . "ZD-7288" . "CGP35024" . "ZK 118182" . "ABT491" . "AGN-193836" . "3,5,3'-triodo-L-thyronine" . "L-thyroxine" . "AM580" . "AGN 193836" . "CD-336" . "Ro 47-2077" . "AL 37350A" . "LG629" . "Stimate" . "6-[3-(1-adamantyl)-4-hydroxyphenyl]-2-naphthalene carboxylic acid" . "CD437" . "AR 234960" . "AR-234960" . "Taloxa" . "ARC-67085" . "AS-604872" . "AS 74" . "25-OHC" . "27-OHC" . "22R-OHC" . "CS-045" . "2-cyano-3,12-dioxooleana-1,9-dien-28-oic acid methyl ester" . "11β-(4-acetylphenyl)-17β-hydroxyl-17α-(1-propinyl)-4,8-estradiene-3-one" . "AS-74" . "Ro415253" . "Ro406055" . "α-amino-5-carboxy-3-methyl-2-thiopheneacetic acid" . "ASN-02563583" . "AT 406" . "INT747" . "Bosatria® (proposed trade name)" . "example 5 [WO2016046755A1]" . "compound 8 l [PubMed: 30113139]" . "SB611812" . "AN762" . "CGP-27492" . "Ajovy®" . "fremanezumab-vfrm" . "Copiktra®" . "CM-4620" . "compound I [WO2016138472A1]" . "GSK7975A" . "example 36 [US20120053150A1]" . "Malaridine®" . "UCB4144" . "CD-2314" . "Darleukin" . "example 96 [WO2012092880]" . "CT-707" . "CT707" . "CT 707" . "ARGX-110" . "OPA-15406" . "dihomo-gamma-linolenic acid" . "JNJ-40346527" . "JNJ40346527" . "example 104 [WO2012124825]" . "6-Shogaol" . "example 2 [US9290505]" . "GS-9876" . "GS9876" . "GS 9876" . "ajulemic acid" . "PF-06747775" . "PF06747775" . "EC-18" . "Fibromun" . "example 126 [WO2014007951]" . "INCB 54828" . "INCB54828" . "INCB-54828" . "FGF401" . "VEGFR2 inhibitor [WO2011060746]" . "HMPL-012" . "HMPL012" . "XP23829" . "Vizimpro®" . "PF00299804" . "PF 00299804" . "REGN-2810" . "REGN2810" . "SAR-439684" . "SAR439684" . "cemiplimab-rwlc" . "Libtayo®" . "N-[(3R)-3-(Octanoyloxy)myristoyl]-O-[2-[[(3R)-3-(octanoyloxy)myristoyl]amino]-3-O-[(3R)-3-(octanoyloxy)myristoyl]-4-O-phosphono-2-deoxy-beta-D-glucopyranosyl]-L-serine" . "CRX555" . "emicizumab-kxwh" . "CEP-32496" . "RXDX-105" . "compound 4b [PMID: 30216722]" . "RO-3306" . "RO 3306" . "NSC625987" . "NSC-625987" . "ryuvidine" . "CH5132799" . "GS-9820" . "GS 9820" . "CAL-120" . "GDC-0084" . "GDC 0084" . "compound 16 [PMID: 27096040]" . "INCB-050465" . "compound 28 [PMID: 24387221]" . "SAR-260301" . "SAR 260301" . "MK-4618" . "MK4618" . "KRP-114V" . "compound 7 [PMID: 26709102]" . "TY-602" . "TY602" . "dimethindene" . "dimethpyrindene" . "(+/-)-dimethindene" . "Fenistil®" . "Vibrocil®" . "(+)-dimethindene" . "(+)-dimetindene" . "(S)-dimethindene" . "MKC431" . "MKC-431" . "MKC 431" . "SL 850324" . "SL850324" . "SL-850324" . "Mizollen®" . "SL 85.0324" . "FR-173657" . "ATC-0175" . "[125I]-PD164333" . "[3H]-SR121463A" . "[3H]-SR48692" . "A-192621" . "L-152804" . "BX-471" . "MK-329" . "ZD-4054" . "ZK-110841" . "AGN-194204" . "AGN 194204" . "AR 244555" . "AR-244555" . "ASN 04421891" . "ASN-04421891" . "Lemtrada®" . "AZ-11645373" . "AZ 12216052" . "AZ-12216052" . "AZ 12260493" . "ABT229" . "AC7954" . "AMD3100" . "AZ-12260493" . "AZ 12419304" . "Banyu Compound 1b" . "BIBP3226" . "AZ-12419304" . "CP99994" . "AZ 12971554" . "GW5823" . "J113397" . "JNJ10397049" . "L-703606" . "L054522" . "L365260" . "L372662" . "L740093" . "L796778" . "L797591" . "L803087" . "L817818" . "AZ-12971554" . "AZ 3971" . "AZ-3971" . "RY 764" . "R 116031" . "AZD 1208" . "AZD 1236" . "AZD-1236" . "AZD 1332" . "AZD-1332" . "LY 392098" . "levocobastine" . "N.E.E." . "LY-392098" . "LY 86057" . "LY 456236" . "LY 456066" . "LY 382884" . "LY 339434" . "L152804" . "L741626" . "MLN4760" . "MLN 4760" . "EPZ 6438" . "A349821" . "A 349821" . "A 794282" . "A794282" . "A 850002" . "A850002" . "AC 262620" . "AC 262970" . "AC 265347" . "AC42" . "AFP 07" . "GSK 2110183" . "AG-1024" . "AG1024" . "AG112" . "AG 14361" . "AG26" . "AG 26" . "AG9" . "AG-9" . "AGK 2" . "AM 7" . "AM-7" . "ARP-100" . "AZD-1386" . "AZD 1386" . "AZD 1656" . "AZD-1656" . "AZD 2014" . "AZD 2423" . "AZD-2423" . "AZD 3409" . "AZD-3409" . "AZD 4017" . "AZD 5438" . "AZD-5438" . "AZD 5582" . "AZD-5582" . "AZD 5904" . "AZD-5904" . "AZD 6088" . "AZD-6088" . "AZ 12677524" . "AZ-12677524" . "AZD 6482" . "AZD 6495" . "AZD-6495" . "AZD 6538" . "AZD 6605" . "AZD-6605" . "AZ 11920155" . "AZ-11920155" . "AZ 12012199" . "AZ-12012199" . "AZD 7268" . "AZD-7268" . "AZ 12488024" . "AZ-12488024" . "AZD 7325" . "AZD 9272" . "AZD-9272" . "TAK536" . "TAK 536" . "JZL-184" . "SCH527123" . "SCH 527123" . "SCH-527123" . "repertaxin" . "DF 1681Y" . "SB-656933" . "SB656933" . "SB 656933" . "GSK-1325756B" . "GSK1325756B" . "GSK 1325756B" . "GSK1325756" . "EP-23905" . "MF-6003" . "hexarelin" . "SR-142948A" . "naltriben" . "SSR-126768A" . "ASN 04450772" . "NVP-SRA880" . "OPC31260" . "OPC51803" . "PD140548" . "PD165929" . "Nelova" . "PD168368" . "ASN-04450772" . "Ro646198" . "AZ 13483342" . "SB223412" . "SB225002" . "AZ-13483342" . "SB334867A" . "SB408124" . "SB612111" . "SB706375" . "SCH 351125" . "AZ 4217" . "AZD 0328" . "SCH-417690" . "SNAP7941" . "SR121463A" . "SR140333" . "SR142801" . "SR27897" . "LY 466195" . "SR48968" . "SSR149415" . "T0632" . "T226296" . "TAK779" . "LY 334362" . "ONO 8711" . "VPA985" . "A 366" . "YM022" . "YM087" . "PD156707" . "A366" . "AG1295" . "AG 1478" . "AGL2043" . "SR49059" . "AZD 1775" . "AZD-1775" . "AZD 2927" . "AZD 4619" . "AZD-4619" . "AZD 7687" . "AZD-7687" . "JWH 133" . "MEN-11420" . "Rupafin®" . "Rinialer®" . "CXA201" . "IRS-16" . "IRS16" . "compound 7n [PMID: 11728192]" . "BAS118" . "BAS 118" . "compound 2 [PMID: 16644216]" . "PNU288034" . "BMY 28565" . "BMY28565" . "BMY-28565" . "U-48266" . "L-708,365" . "L 708,365" . "L 708365" . "BAL 19403" . "BAL-19403" . "AN-0128" . "AN 0128" . "compound 2g [PMID: 16997550]" . "CG400549" . "CG 400549" . "DS-2969" . "DS 11960558 (DS-2969b prodrug)" . "example 2 [WO2017/056012A1]" . "SRI20864" . "SRI20920" . "SRI 20920" . "Elunate®" . "Ro 09-1437" . "compound 6 [PMID: 18804380]" . "CRS-3123" . "REP-3123" . "REP3123" . "2,3-Benzofurandiol" . "LS-187554" . "LS-186900 (sodium salt)" . "C6-(N1-Methyl-1,2,3-trazolylmethylene)penem" . "CP‐38 295" . "BLI489" . "MGB-BP3" . "compound 50 [PMID: 17960927]" . "DNV3837" . "DNV-3837" . "MCB3837" . "MCB-3837" . "Neocon" . "LCB01-0371" . "LCB-01,0371" . "LCB-01-0371" . "FAB001" . "MUT-056399" . "Fab-001" . "Formimidoyl-fortimicin A" . "SF-2052" . "SF2052" . "LS52659" . "BRN6263205" . "BRN-6263205" . "LS-52659" . "CB182804" . "CB-182,804" . "BAL-30072" . "omega-Hydroxyemodin" . "Citreorosein" . "RBx 7644" . "RBx7644" . "RBX-7644" . "6'-C-Methylsisomicin" . "TP271" . "M87-1551" . "M87 1551" . "U-22583" . "U22583" . "Rancomycin 1" . "nodusmicin 1" . "PA 155 A" . "PA-155A" . "TAK-083" . "PA-155-A" . "compound 1 [PMID: 17676039]" . "LTV" . "compound 6o [PMID: 32392056]" . "BMS986235" . "LAR-1219" . "LAR1219" . "compound 13c [PMID: 32407089]" . "glucagon-like peptide 2 (1-33)" . "ASN-04885796" . "[125I]GLP-1" . "AZ 4800" . "AZ-4800" . "GLP-1-(7-37)" . "glucose-dependent insulinotropic polypeptide" . "glucose-dependent insulinotropic polypeptide" . "Ile-Ser-BK" . "AEA" . "N-stearoylethanolamine" . "AZD 1080" . "AZD-1080" . "ONO RS-411" . "[3H]SR48968" . "[3H]-SR49868" . "peptide histidine valine" . "CP154,526" . "JNJ5207787" . "NAGly" . "cholecystokinin 8" . "cholecystokinin 33" . "LY 301875" . "2-ketoglutarate" . "A 794278" . "levodopa" . "C3a anaphylatoxin polypeptide" . "C3a anaphylatoxin polypeptide" . "A794278" . "AG1296" . "BCA-1" . "AG 041R" . "AG041R" . "AZD 3293" . "AZD-3293" . "BGT 226" . "BIMU1" . "CMPD 167" . "adrenocorticotrophin" . "L167" . "PPBP" . "BIMU-1" . "BIIE-0246" . "BIIL260" . "[125I]SLC" . "[125I]ELC" . "[125I]LARC" . "[125I]CTACK" . "NET" . "[125I]TARC" . "[125I]TECK" . "[125I]NAP-2" . "[125I]ENA-78" . "[125I]IP-10" . "[125I]I-TAC" . "BIX01294" . "[125I]Fractalkine" . "pyroglutamylated arginine-phenylalanine-amide peptide" . "BIX 01294" . "BMS214662" . "MK7725" . "big dyn" . "parathyroid hormone-related peptide 107-139" . "parathyroid hormone-related peptide 38-94" . "hypocretin-2" . "Int-1-related protein" . "WNT-13" . "HBD2" . "[125I]GROα" . "BMAC" . "MK 7725" . "BMS 270394" . "BMS 309403" . "BMS387032" . "BMS599626" . "GRP(18-27)" . "GRP(18-27)" . "dynorphin 1-17" . "[125I]L703606" . "[3H]SR142801" . "CP154526" . "L168049" . "LF160687" . "GM-611" . "NNC92-1687" . "RWJ56110" . "lysolecithin" . "[3H]SR142,801" . "BMS 599626" . "BMS690514" . "BMS 753" . "BMS 833923" . "XL 139" . "BMY21950" . "BMY22089" . "BMY 7378" . "BN 81,644" . "BN81,644" . "BN-81644" . "BN81644" . "BN 81644" . "BN 81,674" . "BN81,674" . "BN-81674" . "BN81674" . "BN 81674" . "BPH 252" . "BPH252" . "BPH608" . "BPH 608" . "BPH628" . "BPH629" . "neurocan" . "BPH 676" . "BPH676" . "BPH675" . "BPH 675" . "BPH715" . "BPH830" . "BPH 830" . "BRD-4770" . "BRD-9539" . "BRD 9539" . "BRL 15572" . "BRL44408" . "BS194" . "BS 194" . "CAY 10583" . "CAY-10583" . "annexin A1" . "BIBP 3226" . "traizine compound PC25" . "analogue #7 [PMID: 19463875]" . "analogue #30 [PMID: 19463875]" . "compound 18a [PMID: 22901672]" . "Rezonic (proposed trade name)" . "BMY 14802" . "BMY14802" . "KP-52" . "Nodiol" . "pyroglutamylated arginine-phenylalanine-amide peptide" . "[125I]-[MePhe7]NKB" . "Amosene" . "pyroglutamylated arginine-phenylalanine-amide peptide" . "endocrine gland vascular endothelial growth factor" . "endocrine gland vascular endothelial growth factor" . "parathyroid hormone-related peptide 107-139" . "parathyroid hormone-related peptide 107-139" . "hypocretin-2" . "neuromedin C" . "[125I]chemotaxis inhibitory protein of S. aureus" . "neurokinin β" . "chemotaxis inhibitory protein of S. aureus" . "hypocretin-1" . "alpha-helical CRF (9-41)" . "α-helical CRF (9-41)" . "[125I]Tyr10-cortistatin14" . "β-end" . "β-end" . "β-end" . "des-CCK-8" . "SCM-1α" . "[125I]-ACTH(1-24)" . "[125I]-adrenocorticotropin(1-24)" . "ASN-06917370" . "RY 024" . "R138727" . "globular adiponectin" . "BMS181,101" . "gelatin-binding protein" . "BMS-181,101" . "BMS 181101" . "BMS181101" . "luteinizing hormone subunit beta" . "parathyroid hormone-related peptide" . "parathyroid hormone-like hormone" . "insulin-like peptide INSL7" . "BMS-181101" . "BMS345541" . "S19 ribosomal protein" . "RPS19" . "thyroid stimulating hormone beta" . "thyrotropin subunit beta" . "thyrotropin beta chain" . "BMS561392" . "BMS 561392" . "BN50739" . "BPH742" . "BPH 742" . "BRL 50481" . "maxadilan Δ24-42" . "maxadilan Δ25-41" . "[125I-Tyr45]KP-15" . "[125I]KP-10" . "[125I]KP-54" . "KP-10" . "KP-10" . "KP-13" . "KP-14" . "KP-15" . "KP-28" . "KP-52" . "KP-54" . "KP-9" . "[(pF)Phe4Aib7Arg14Lys15]N/OFQ-NH2" . "[111In]-DOTA-Lys8-deamino-vasotocin" . "[125I]-(Tyr10)secretin" . "[125I]-[Glp65Nle75,Tyr77]apelin-13" . "[125I]-[Leu31,Pro34]NPY" . "cyclic ADP ribose" . "[125I]-[Leu31,Pro34]neuropeptide Y" . "CCG977" . "[125I]-[MePhe7]neurokinin A" . "[125I]-[Tyr8]BK" . "[125I]-[Tyr8]-bradykinin" . "[125I]-αCGRP" . "[125I]-αcalcitonin gene-related peptide" . "[125I]-AM" . "[125I]-adrenomedullin" . "[125I]-BH-[Sar9,Met(O2)11]SP" . "[125I]-Bolton Hunter-[Sar9,Met(O2)11]substance P" . "[125I]-BH-AMY" . "[125I]-Bolton Hunter amylin" . "[125I]-BH-NMB" . "[125I]-Bolton Hunter neuromedin B" . "[125I]-BIM23027" . "[125I]-BIM 23027" . "[125I]-C3a" . "[125I]-C5a" . "GPHα" . "follitropin beta subunit" . "BWA1433" . "desulfated sincalide" . "Zunrisa (proposed trade name)" . "UR-12592" . "UR12592" . "Talzenna®" . "BMN673" . "TUG1375" . "compound 31 [PMID: 30247908]" . "pyrilamine" . "compound 44 [PMID: 30249354]" . "compound 14 [PMID: 30348770]" . "PGN9856" . "PGN 9856" . "Jedi 2" . "Jedi-2" . "Dooku-1" . "Dooku 1" . "somatoprim" . "COR-005" . "NVP ACQ090" . "MK4256" . "MK 4256" . "J2156" . "J 2156" . "Aurigene NP-12" . "Aurigene-012" . "Aur-012" . "[125I]-CG" . "[125I]-GIP" . "HHV8 vMIP-I" . "CG" . "[125I][Ala1,3,11,15]endothelin-1" . "[125I]-BQ3020" . "chorionic gonadotropin alpha chain" . "[125I]-motilin" . "[3H]-neurotensin" . "lutropin subunit beta" . "[125I]-chorionic gonadotropin" . "[125I]-CT (Human)" . "[125I]-calcitonin (Human)" . "[125I]-CT (Salmon)" . "[125I]-calcitonin (Salmon)" . "[125I]-d(CH2)5[Tyr(Me)2,Thr4,Orn8,Tyr-NH29]OVT" . "[3H]-senktide" . "[125I]-FSH" . "[125I]-follicle-stimulating hormone" . "[125I]-gastrin" . "[125I]-GHRH" . "[125I]-growth hormone releasing hormone" . "[125I]-GLP-1(7-37)" . "[125I]-glucagon-like peptide-1(7-37)" . "[125I]-glucagon" . "[125I]-GnRH I" . "[125I]-gonadotropin-releasing hormone I" . "[125I]-GRP" . "[125I]-gastrin-releasing peptide" . "[125I]-Hpp-desArg9HOE140" . "[125I]-KP13" . "[125I]-kisspeptin13" . "[125I]-luteinising hormone" . "[125I]-LH" . "[125I]-luteinizing hormone" . "[125I]-NKA" . "[125I]-neurokinin A" . "[125I]-NPFF" . "[125I]-neuropeptide FF" . "[125I]-orexin A" . "[125I]-PP" . "[125I]-pancreatic polypeptide" . "[125I]-PYY(3-36)" . "[125I]-peptide YY(3-36)" . "[125I]-QRFP" . "[125I]-pyro-glutamylated arginine-amide peptide" . "[125I]-SHU9119" . "[125I]-SP" . "[125I]-substance P" . "[125I]-TSH" . "[125I]-thyroid-stimulating hormone" . "[125I]-thyrotropin" . "[125I]-Tyr4-des-octanoyl-ghrelin" . "[3H]-BH-[Sar9,Met(O2)11]SP" . " [3H]-Bolton Hunter-[Sar9,Met(O2)11]substance P" . "[3H]-BK" . "[3H]-bradykinin" . "[3H]-d(CH2)5[Tyr(Me)2,Arg8]AVP" . "[3H]-DAMGO" . "[3H]-deltorphin II" . "[3H]-DPDPE" . "[3H]-gastrin" . "[3H]-GR100679" . "[3H]-haTRAP" . "[3H]-Leu-N/OFQ" . "[3H]-Leu-nociceptin.orphanin FQ" . "[3H]-Lys-[des-Arg9]BK" . "[3H]-Lys-[des-Arg9]-bradykinin" . "[3H]-Lys-[Leu8][des-Arg9]BK" . "CP55244" . "[3H]-Lys-[Leu8][des-Arg9]-bradykinin" . "[3H]-MCH" . "[3H]-melanin-concentraing hormone" . "[3H]-naltriben" . "[3H]-naltrindole" . "[3H]-NPC17731" . "[3H]-PL017" . "[3H]-SP" . "[3H]-substance P" . "[3H]-TRH" . "[3H]-thyrotropin-releasing hormone" . "[Ala1,3,11,15]endothelin-1" . "3,5-DMPPP" . "BAY36-7620" . "CCL14a" . "MCV MC148R" . "[125I]-GnRH II" . "GSK-256073" . "[125I]-gonadotropin-releasing hormone II" . "HCGα" . "FAP10" . "LHα" . "TSHα" . "[125I]H3-B/INSL5 A chimera" . "[D-Ala2,Ala8,9,15,27,D-Arg29]hGHRH(1-29)NH2" . "AZ-505" . "BMS582949" . "PS540446" . "BRL 54443" . "BX912" . "GW679769" . "cyclo[1-6]CRPRLCHKGPMPF" . "GHRP-2" . "AZD-8186" . "AZD 8186" . "cyclic AMP" . "cyclic guanosine monophosphate" . "CCG100602" . "CCG 100602" . "CCG1423" . "CCG 1423" . "[3H]-desGly-NH2[D-Ile2,Ile4]AVP" . "[D-Phe11,His12,Nle17]sauvagine(11-40)" . "[Hyp3,Tyr(Me)8]bradykinin" . "[Lys5,Me-Leu9,Mle10]neurokinin A(4-10)" . "[Phe13,[125I]Tyr19]melanin-concentrating hormone" . "[Phe8,ψ(CH2-NH)Arg9]bradykinin" . "[Pro3]gastric inhibitory polypeptide" . "[Pro9]substance P" . "[Sar9,Met(O2)11]substance P" . "Ac-(D-Tyr11,His12,Nle17)sauvagine(11-40)" . "Ala-p-fluoroPhe-Ala-Arg-cyclohexylAla-homoArg-[3H]Tyr-amide" . "BIM 28011" . "Boc-Tyr(SO3H)Ahx-Gly-Trp-Ahx-Asp2phenylethyl ester" . "BQ3020" . "D-Phe-corticotropin-releasing factor(12-41)" . "D-Phe12,Nle21,38,αMeLeu37-CRF" . "galanin(1-13)spantide" . "galantide" . "Gonadotropin-releasing hormone III" . "JMV-180" . "JMV-641" . "lamprey GnRH III" . "Lys-Asp-Ser-Phe-Val-Gly-(R-γ-lactam)" . "TAK-044" . "TAK044" . "Trp-1" . "UFP112" . "IRL2620" . "[125I]IRL 1620" . "F-15599" . "HU210" . "neuropeptide Y (13-36)" . "BRL54443" . "IRL-1620" . "COL-144" . "[11C]M100907 (PET ligand)" . "[18F]altanserin (PET ligand)" . "E-55888" . "[11C]butylthio-TZTP (PET ligand)" . "15(S)-HPETE" . "AFDX116" . "ACA" . "diphenylborinic anhydride" . "[11C]xanomeline (PET ligand)" . "[18F]FP-TZTP (PET ligand)" . "[11C]-mepyramine" . "(S)-UH301" . "JNJ-7777120" . "[11C]WAY100635 (PET ligand)" . "TBC11251 / TBC-11251" . "[11C] SB207145 (PET ligand)" . "aspirin-triggered lipoxin A4" . "Suc[Glu9,Ala11,15]ET-110-21" . "[125I]-[Tyr6,βAla11,Phe13,Nle14] bombasin-6-14" . "Lys-BK" . "Sar[DPhe8][des-Arg9]BK" . "B9958" . "galanin(1-13)substance P(5-11)amide" . "AC-265347" . "CP481715" . "A71623" . "[3H]-S0139" . "[3H]-BQ123" . "[125I]-PD151242" . "[125I]-IRL1620" . "lungkine (mouse)" . "[125I]-buserelin" . "[3H]-R-α-Methylhistamine" . "[3H]-Na-methylhistamine" . "[125I]-iodoproxyfan" . "VUF8430" . "[3H]-JNJ7777120" . "[125I]-KP10" . "[125I-Tyr45]-KP15" . "PrP31" . "KP54" . "KP10" . "[125I]-EYF" . "PrRP20" . "PrRP31" . "[11C]-pyrilamine" . "galanin(1-13)neuropeptide Y-amide(25-36)amide" . "galanin(1-13)bradykinin(2-9)amide" . "galanin(1-13)Pro-Pro-Ala-Leu-Ala-Leu-Ala-Leu-Ala-amide" . "galanin(2-13)Glu-His-(Pro)3(Ala-Leu)2Ala-amide" . "cyc(2β-5β)(Met-Asp-Trp-Phe-Dap-Leu)" . "CCG203971" . "CCG 203971" . "compound #8 [WO2011161699A3]" . "Zerbaxa® (ceftolozane + tazobactam)" . "Zerbaxa® (ceftolozane + tazobactam)" . "YTR 830H" . "YTR 830" . "E-4868" . "E4868" . "compound 43f [PMID: 7990118]" . "ABT-773" . "ABT773" . "Abbott-195773" . "A-195773" . "Restanza®" . "Abbott 40728" . "A-40728" . "chelocardin" . "compound 1 [PMID: 379332]" . "MK-791" . "MK791" . "AM 1091" . "CI-960" . "G1" . "RJR-2403" . "chemerin 149-157" . "MM-11253" . "CCG50014" . "compound 29 [PMID: 14643355]" . "dihydro-β-erythroidine" . "decanol phosphate" . "FAP12" . "dodecanol phosphate" . "Alexa Fluor 594-2fLI" . "CCG 977" . "D-Trp8-y-MSH" . "[125I]-NDP-MSH" . "GM109" . "MA2029" . "NPY-(3-36)" . "dynA" . "17-phenyl-PGE2" . "CD-666" . "BIM23027" . "BIM23052" . "BIM23268" . "N4-phenylpropoxycytidine-5'-triphosphate" . "CD 666" . "[125I]-VIP" . "[125I]-PACAP-27" . "[K15, Arg16, Leu27]VIP(1-7)/GRF(8-27)" . "FPL66096" . "2-oxoglutarate" . "cortistatin" . "24s-OHC" . "chenodeoxycholate" . "GW0742" . "L165041" . "TEI9647" . "R1881" . "uridine-5'-tetraphosphate δ-phenyl ester" . "5α-dihydrotestosterone" . "2-propylthio-βγ-difluoromethylene ATP" . "proadrenomedullin N-terminal 20 Peptide (Human, 9-20)" . "Human PAMP(9-20)" . "Proadrenomedullin N-terminal 20 peptide (human)" . "Human PAMP(1-20)" . "BAM-15" . "VU1545" . "N-methylhistaprodifen" . "2-iodo-[125I]-melatonin" . "2[125I]iodomelatonin" . "AY-NH2" . "12(S)-hydroxyeicosatetraenoic acid" . "lysoPS" . "lysophosphatidyl-L-serine" . "CEP11981" . "CEP 11981" . "[125I]-iodoaminopotentidine" . "CEP 32496" . "CGP46381" . "MT7" . "recombinant mamba venom toxin" . "SKA121" . "SKA 121" . "CGP20712A" . "CI 966" . "CI966" . "CI 988" . "CI988" . "SNAP398299" . "SKF83959" . "SKF 83959" . "CP226269" . "CP547632" . "SKF38393" . "CP 55,667" . "CP-55,667" . "CV 6209" . "E 6201" . "E-6201" . "E-913" . "FR-191413" . "FR 191413" . "GSK-1614343" . "GSK 1614343" . "GSK 256073" . "GSK 2193874" . "GSK-2193874" . "HQL 79" . "IC-261" . "IC 261" . "D2E7" . "Ro-5028442" . "Ro 5028442" . "YM-44781" . "YM 44781" . "CP-55,244" . "CP 55,244" . "CP-55244" . "RS504393" . "RS 504393" . "PSB0788" . "PSB 0788" . "PHA-543,613" . "KW3635" . "KF 26777" . "INS-48823" . "INS 48823" . "GV 196771A" . "TAK 220" . "TAK220" . "TEI 9063" . "SR 48527" . "SNAP-398299" . "SDF-1β" . "[125I]SDF-1α (human)" . "[125I]SDF-1β (human)" . "PF04852946" . "PF 04852946" . "PF04418948" . "PF 04418948" . "TRO19622" . "TRO 19622" . "TRO-19622" . "cholest-4-en-3-one, oxime" . "trans-alloswitch-1" . "7-hydroxy-3-(4-iodophenoxy)-4H-chromen-4-one" . "caged vemurafenib prodrug" . "MTx1" . "CGP 61594" . "(1,2,5,6-tetrahydropyridine-4-yl)methylphosphinic acid" . "CGP56999A" . "CGP-56999A" . "[125I]-PcTx1" . "αβ-methylene-adenosine 5'-triphosphate" . "βγ-methylene-adenosine 5'-triphosphate" . "cis-aminocrotonic acid" . "CP 294838" . "CP294838" . "CV3988" . "N-(3-methoxyphenyl)-4-chlorocinnamide" . "N-arachidonyl dopamine" . "tert-butylbicyclophosphorothionate" . "SK&F 89748" . "KF-24345" . "compound 6 [PMID: 23594271]" . "AM6120" . "peptide 41 [PMID: 30346167]" . "compound 6 [PMID: 25874594]" . "ARN-726" . "compound 8 [PMID: 27404798]" . "ARN-19702" . "H151" . "H 151" . "compound B-11 [WO2017160861]" . "example 28 [WO2017160861]" . "example 110 [WO2016180537]" . "compound 69 [PMID: 30378281]" . "Lorbrena®" . "PF06463922" . "compound 5i [PMID: 24099220]" . "TD4208" . "Yupelri®" . "GSK1160724" . "GSK-1160724" . "SPR inhibitor 3" . "SFPP" . "example 23 [WO2011047156]" . "X4P-001-IO" . "MERTK inhibitor 19 [PMID: 30347155]" . "UNC4203A [US20150291606A1]" . "7-Cl-O-Nec-1" . "GSK'963" . "GSK′963A" . "example 225 [US8372875B2]" . "(R)-28" . "valiglurax" . "VU0652957" . "compound 7 (Panarese et al., 2018)" . "YH-25448" . "YH25448" . "GNS-1480" . "GNS1480" . "Compound 73 [WO2016060443A2]" . "YH-18968" . "YH 18968" . "PDR001" . "PDR-001" . "NPVPDR001" . "NPV-PDR001" . "ZPL389" . "ZPL-3893787" . "ZPL3893787" . "compound 3 [PMID: 30359003]" . "PQR-620" . "Aemcolo®" . "emapalumab-lzsg" . "Gamifant®" . "NI0501" . "Daurismo®" . "SR-1001" . "SR 1001" . "SR-2211" . "SR 2211" . "SR-1555" . "SR 1555" . "CP-868,596" . "Vitrakvi®" . "Xospata®" . "4-fluorophenylureido-benzenesulfonamide" . "SLC0111" . "compound 7 [PMID: 21361354]" . "compound 2 [PMID: 30433781]" . "K604" . "compound 4 [PMID: 30380865]" . "CA4948" . "AU-4948" . "AU4948" . "ML-385" . "compound 2 [PMID: 27552339]" . "compound 22b [PMID: 30480444]" . "compound 32 [PMID: 30423248]" . "compound 34 [PMID: 30423248]" . "compound 2 [Li et al., 2018]" . "Coniel®" . "FR-34235" . "FR34235" . "Escor®" . "phenobarbitone" . "phenobarb" . "Motegrity®" . "compound 8 [PMID: 24124794]" . "Inbrija® (levodopa inhalation powder)" . "RV-1729" . "RV-6153" . "CUV1647" . "CUV-1647" . "Scenesse®" . "GM611" . "SR48968C" . "CCX-354" . "CCX 354" . "CCX-354-C" . "MK-7123" . "MK7123" . "am-152" . "JNJ38431055" . "MBX2982" . "eFT508" . "compound 23 [PMID: 29526098]" . "eFT-508" . "ALXN1210" . "ALXN-1210" . "Ultomiris®" . "Dimipressin" . "ravulizumab-cwvz" . "MK0524" . "AMG853" . "AMG-853" . "AMG 853" . "PD169316" . "2,3-dihydroxy-6-nitro-7-sulfamoylbenzo(f)quinoxaline" . "2,4-epi-neoDH" . "2',3'-O-(2,4,6-trinitrophenyl)-ATP" . "20-hydroxyeicosatetraenoic acid" . "3-[2'-phosphonomethyl[1,1'-biphenyl]-3-yl]alanine" . "PD 123319" . "3-amino-cyclopentenylbutylphosphonic acid" . "2-guanidine-4-methylquinazoline" . "4,4'-diisothiocyanostilbene-2,2'-disulphonic acid" . "4-(2-butyl-6,7-dichlor-2-cyclopentyl-indan-1-on-5-yl) oxybutyric acid" . "4'-isothiocyanostilbene-2,2'-disulphonic acid" . "4α-phorbol 12,13-dihexanoate" . "5-methy-1H-imidazole-4-acetic acid" . "CGP-13501" . "CGS24012" . "KF 24345" . "compound 22 [PMID: 23594271]" . "acetyl-Val-Ile-Asp-aldehyde" . "RS-39066" . "RS39066" . "Org-12962" . "Org12962" . "ORG 2058" . "PD 164333" . "PD149164" . "PD-161182" . "PD161182" . "Ro 64-5229" . "SB-234551" . "Z-Leu-Abu-CONH-CH2-CHOH-Ph" . "inhibitor 13 [PMID: 25719566]" . "compound 60 [PMID: 25864491]" . "KDOAM-25" . "GSK-484" . "GSK 484" . "PNU 282987" . "PF4840154" . "PF 4840154" . "BAY-60-6583" . "BAY60-6583" . "CI 1015" . "PD 144598" . "DU-29,373" . "AMD 070" . "AMD-070" . "compound 2 [PMID: 20297846]" . "MQ-1" . "compound (R)-10a" . "ON7" . "ONO9780307" . "CGP 53353" . "CGS12066" . "CGS 12066" . "CI1015" . "CID 16020046" . "CJ- 42794" . "CV1674" . "CVT6883" . "CVT 6883" . "CX 516" . "CYM-2503" . "DS437" . "E-5700" . "EMD 386088" . "EMD386088" . "CI-977" . "EP171" . "S 14506" . "PF 543" . "VU0488130-1" . "GR 125743" . "Phe-Met-Arg-Phe-amide" . "Oldren" . "4-guanidinomethyl-phenylacteyl-Arg-Tle-Arg-4-amidinobenzylamide" . "A-56619" . "para-guanidinomethyl-Phac-R-Tle-R-Amba" . "BoPz" . "GSK-2194069" . "GSK 2194069" . "JZL-195" . "JZL 195" . "compound 226 [PMID: 24997602]" . "Py(D)AlaboroPro" . "ABL-127" . "ABL 127" . "FK 888" . "KL 044" . "KL-044" . "chromanol 239B" . "chromanol 239B" . "EPZ-004777" . "EPZ 004777" . "EPZ-005687" . "EPZ 005687" . "EPZ 015666" . "EPZ-6438" . "ER 819762" . "ESI09" . "CJ11974" . "BIBX-1382" . "SHR 1020" . "RP62203" . "RP 62203" . "dihydrochloride fasudil" . "HA1077" . "MK-6096" . "MK 906" . "MK906" . "FK788" . "Gilenya®" . "FUB349" . "FUB-465" . "FUB465" . "Deuterium-substituted L-DOPA" . "FR-181157" . "DP-102" . "FR 139317" . "FR 167344" . "BSP" . "FR 173657" . "FTI276" . "FUB-349" . "Cbz-Leu-D,L-Abu-CONH-(CH(2))(3)-2-methoxyadenin-9-yl" . "Cbz-Leu-D,L-Phe-CONH-(CH(2))(3)-adenin-9-yl" . "G-15" . "Go 6976" . "Go 7874" . "Go-7874" . "Go7874" . "MG132" . "MG 132" . "Z-Leu-leu-leu-al" . "Z-LLL-CHO" . "GB 110" . "GB-110" . "8-deoxy-neoDH" . "8,9-dideoxyneodysiherbaine" . "CHF5074" . "argiotoxin 636" . "BDP-12" . "bis-(1,3-dibutylbarbituric acid)pentamethine oxanol" . "dichloro-diphenylamine 2-carboxylic acid" . "diinosine-5',5%22-pentaphosphate" . "CHF 5074" . "Double-knot toxin" . "felodipine" . "platelet factor 4 (PF4)" . "indanyloxyacetic acid 94" . "LY300168" . "LY303070" . "M-theraphotoxin-Gr1a" . "mercury" . "NPA" . "N-phenylanthranilic acid" . "oxalon dye" . "6Ckine-Leu" . "cytokine SCM-1β" . "silver" . "copper ion" . "cobalt ion" . "PcTx1" . "SPI-0211" . "SR95531" . "SR95531" . "[125I]-[Ala1,3,11,15]endothelin-1" . "haem" . "ferroheme" . "phosphatidylinositol-3,4,5-trisphosphate" . "CGP36742" . "ON3" . "CGP-55845" . "ATL" . "7-β-OHC" . "7-α-OHC" . "[3H]-RvD1" . "7α-25-OHC" . "CHIR265" . "CI1040" . "CV1808" . "2-arachidonoyl-glycerol-phosphoinositol" . "ang I" . "CXCL12 α" . "stromal cell-derived factor-1α" . "HHV8 vMIP-III" . "KSHV vMIP-III" . "7α, 27-OHC" . "[18F]fluoroethylflumazenil (PET ligand)" . "[11C]flumazenil (PET ligand)" . "lymphotactin β" . "C motif cytokine 2" . "lymphotactin α" . "cytokine SCM-1α" . "c motif cytokine 1" . "[3H]-AD5075" . "CX4945" . "B13/17K H2 relaxin" . "CX 4945" . "CX 546" . "big gastrin" . "big gastrin (mouse)" . "big gastrin (rat)" . "G52" . "osteostatin (rat)" . "osteostatin (mouse)" . "somatoliberin (mouse)" . "ang III" . "DKK 1" . "CYM-5181" . "[Lys8]-vasopressin" . "intestinal peptide PHV-42" . "intestinal peptide PHV-42" . "E-6801" . "alpha-Emtbl" . "EPZ-5676" . "G-36" . "GB 88" . "GB-88" . "compound 2 [PMID: 24900313]" . "PD-127321" . "PD 127321" . "NBI35965" . "NBI 35965" . "Vogalene®" . "Limican®" . "Litican®" . "Nausilex®" . "Plitican®" . "Superan®" . "Vergentan®" . "B7-H6" . "sphinganine 1-phosphate" . "sphinganine" . "LAM002A" . "GW 405833" . "GW-405833" . "L-768,242" . "L768242" . "CRX-601" . "CRX601" . "GSK-1795091" . "GSK'091" . "Berkomine" . "compound 4 [PMID: 18835160]" . "GSK-2881078" . "GSK'078" . "LY3303560" . "LY-3303560" . "AZD-4635" . "AB-928" . "Monjuvi®" . "tafasitamab-cxix" . "MCULE-2879769428" . "IMU-838 (vidofludimus calcium)" . "LAM-002A (apilimod dimesylate)" . "adavivint (deprecated INN)" . "[125I]3-4 hydroxyphenyl-propionyl-icatibant" . "[125I]3-4 hydroxyphenyl-propionyl-D-Arg[Hyp3, Thi5, D-Tic7, Oic8]-BK" . "[125I]3-4 hydroxyphenyl-propionyl-D-Arg[Hyp3, Thi5, D-Tic7, Oic8]-bradykinin" . "[(125)I]-HPP-Hoe 140" . "example 6 [WO2019101906]" . "ORM10962" . "2-amino-beta-naphthothiazole" . "parathyroid hormone-related peptide" . "tuberoinfundibular peptide" . "corticoliberin" . "[dPhe11,His12]Svg(11-40)" . "CHR3996" . "endorpholiberin" . "antisauvagine-30" . "melanin-concentrating hormone (6-17)" . "CHR 3996" . "ON9" . "CV 1808" . "CX-614" . "GDC 0152" . "GDC0152" . "GDC0879" . "PD-159790" . "GEA-3162" . "GEA3162" . "[6]-Gingerol" . "insulin-like peptide 3 (A chain)" . "insulin-like peptide 5 (A chain)" . "insulin-like peptide 3 B chain" . "insulin-like peptide 5 (B chain)" . "6-Gingerol" . "Cpd 3 (PMID 24990314)" . "CGP 74514A" . "GNE9605" . "analogue 55f [PMID: 11472217]" . "YM 09151-2" . "H(3)N(+)CH(CH(2)CH(2)SO(3)(-))CH(SH)CO-Ile-(3-COOH)Pro" . "cesium ion" . "GR127935" . "GR144053" . "GR-144053" . "BWA 868C" . "4UF" . "6-Et CDCA" . "TOK-001" . "VN/124-1" . "DL-Bupivacaine" . "GSK1511931A" . "GSK-1511931" . "compound 14 [PMID: 19081716]" . "GW853606X" . "compound 22 [PMID: 19097784]" . "BMS 961" . "GW1516 " . "4-aminobutyric acid" . "5-nitro-isatin 1 [PMID: 11384246]" . "ML-peptide" . "Xuret" . "Intalpram" . "Melipramin" . "Melipramine" . "Marcaine" . "Bloqueina" . "Axsain" . "Capsaicin" . "Capsidol" . "Styptysat" . "Capzasin" . "Zostrix" . "Exodus-2" . "Dichlofenal" . "Dicrofenac" . "lessterol" . "lioxone" . "Emilace" . "Proglycem®" . "Exodus-2" . "4-desmethoxyverapamil (4-DMV)" . "(-)-desmethoxyverapamil" . "androstenolone" . "Psicosterone" . "6Ckine-Ser" . "BAY U3405" . "Ac-RLTbaLAR-H" . "compound 4sx" . "SQ-24798" . "SQ 24,798" . "SQ 24798" . "compound 4" . "ZK 216348" . "ZK-216348" . "UK-396082" . "compound 21 [PMID: 17990866]" . "Ac-LLLLRVK-Amba" . "compound 7" . "WAY 255348" . "WAY255348" . "compound 2r-L" . "ganbajunin C" . "compound 5" . "mergepta" . "BAY 94-8862" . "INCB-3619" . "compound 52" . "IK862" . "IK 862" . "compound 32" . "Odomzo®" . "ISIS 304801" . "ISIS-APOCIIIRx" . "APOC-III antisense inhibitor" . "compound 2 [PMID: 21632247]" . "compound 6 [PMID: 9873604]" . "rufocromomycin" . "bruneomycin" . "nigrin" . "valacidin" . "NSC-45383" . "Schwartz compound" . "cpd B" . "Duloxetine Mylan" . "Zebinix®" . "Forxiga®" . "Lojuxta®" . "Senshio®" . "Belviq®" . "Vipidia®" . "Soolantra®" . "Spritam®" . "Matever" . "MGAH-22" . "VU0481443-3" . "eburnamonine" . "Afema®" . "CGS16949A" . "1-methyl-D-tryptophan" . "Lu AE58054" . "LU-AE58054" . "compound 52" . "Posicor®" . "PDSP2_000926" . "AM-356" . "(R)-methanandamide" . "L-368899" . "L 368,899 " . "MRS-1754" . "GR128107" . "2-Mmgetpa" . "GSK 2033" . "GSK-2033" . "AM461" . "AM 461" . "Dokim" . "Compound 1 [WO2011085033]" . "TXA127" . "TXA-127" . "GLPG-1205" . "compound 122 [WO2013092791A1]" . "5 MFT" . "quinacrine" . "Krintafel®" . "Atabrine®" . "sulfamethopyrazine" . "sulfametopyrazine" . "Verzenio®" . "MK-1602" . "MK1602" . "AM-10257" . "Y-341 " . "Fub-mdmb" . "Mdmb-bz-F" . "Mdmb-fub" . "ARRY502" . "example 237, enantiomer 1 [WO2009158426A1]" . "ACT-129968" . "ACT129968" . "compound 28 [PMID: 23721423]" . "compound 34 [PMID: 30629437]" . "MK 767 " . "ARD69" . "MK0974 " . "compound 41 [PMID: 30563338]" . "BAY885" . "TH-5487" . "compound 1 [PMID: 30608693]" . "CPI-444" . "CPI444" . "V81444" . "MRS-1220 " . "V-81444" . "Example 1166 [WO2015160641A2]" . "BMS1001" . "Example 1001 [WO2015160641A2]" . "Cimetag" . "Eureceptor" . "Gastrobitan" . "l-methadone" . "(R)-methadone" . "Reliveran" . "metaclopromide" . "methochlopramide" . "metochlopramide" . "Mexiletene" . "S100" . "Mexityl" . "Brentan" . "Dactarin" . "Daktarin IV" . "ML RR-S2 CDA" . "INT767" . "5-methylfurmithide" . "Tagamet®" . "Mexitil®" . "Monistat®" . "PDSP1_000940" . "glucagon receptor antagonist I" . "hGCGR antagonist" . "Polamivet" . "Neurogard" . "MIW815" . "dithio-(Rp,Rp)-[cyclic[A(2',5')pA(3',5')p]]" . "PBF509" . "compound 7d [PMID: 30608678]" . "ADX-71149" . "JNJ40411813" . "6α-ethyl-3α,7α,23-trihydroxy-24-nor-5β-cholan-23-sulfate" . "Emgality®" . "galcanezumab-gnlm" . "Copalia® (amlodipine + valsartan)" . "Targretin®" . "Rxulti®" . "Jorveza®" . "Buvidal®" . "Peyona®" . "Kengrexal®" . "Cablivi®" . "Reagila®" . "Leadiant® (formerly Chenodeoxycholic acid sigma-tau)" . "Orphacol&Reg;" . "Kolbam®" . "Mavenclad®" . "Gliolan®" . "Ameluz®" . "Ledaga®" . "Iscover®" . "Dexdor®" . "Savene®" . "SomaKit TOC®" . "Vaniqa®" . "VX-661" . "VX661" . "example 315 [US20090131492A1]" . "GR181413A" . "GR-181413A" . "Galafold®" . "1-Deoxygalactonojirimycin" . "AM-1710" . "AM 1710" . "analog 4b [PMID: 18038967]" . "Truberzi®" . "Effentora®" . "Avamys®" . "Amglidia®" . "Tovanor Breezhaler®" . "Siklos®" . "Firazyr®" . "Onivyde®" . "Axura®" . "Ebixa®" . "Cystagon®" . "OPC 21268" . "2-mercaptomethyl-3-guanidinoethylthiopropanoic acid" . "BT 5/9" . "SAND 26" . "Begendina&rg; (proprietary name)" . "GSK 9772" . "R 568" . "GSK-9772" . "NBI-98854" . "NBI98854" . "NBI 98854" . "TH-302" . "para-Chloromercuriphenylsulfonate" . "compound 3b" . "p-Chloromercuribenzenesulfonate" . "TAS-1-462" . "MA-1" . "trifluorothymidine" . "TFT" . "example 25 (US8940748)" . "0V6" . "PK11195" . "PK-11195" . "XBD-173" . "XBD173" . "AC-5216" . "VUF6002" . "SB243213A" . "VUF-6002" . "compound 12" . "compound 8" . "SB-714786" . "Keveyis®" . "EPZ5676" . "EPZ6438" . "E-7438" . "SD-809" . "SD809" . "ASP-2215" . "ASP2215" . "Addyi®" . "RPC1063" . "RPC-1063" . "RPC 1063" . "PLX3397" . "PLX-3397" . "PLX 3397" . "LFG 316" . "LFG-316" . "LFG316" . "ESBA-1008" . "ESBA1008" . "procion blue HB" . "toneon" . "minedil" . "respatadine" . "OPC 31260" . "QAX-576" . "QAX576" . "LJM716" . "NVS201010" . "REGN1500" . "5F9vcMMAE" . "MLN-0264" . "MLN0264" . "SAR-650984" . "SAR650984" . "Dynamos" . "hu38SB19" . "ch38SB19" . "CIM 331" . "CIM331" . "compound 1" . "compound 7 [PMID: 21277783]" . "mallotoxin" . "kuwanone H" . "ibotenate" . "LY-2495655" . "LY2495655" . "17-AAG" . "MSB0010718C" . "MSB-0010718C" . "MEDI-551" . "MEDI 551" . "aTyr 1920" . "HisRSN4" . "HRS(1-60)" . "ATYR1940" . "HRS(1-506)" . "Resolaris" . "ONX 0912" . "ONX-0912" . "PR 047" . "PR-047" . "Varubi®" . "SCH-619734" . "SCH619734" . "bscCD19xCD3" . "M&B-28767" . "CK-1827452" . "AMG 423" . "AMG-423" . "Ro15-1788" . "CI-719" . "H 168/68" . "4-hydroxyanisole" . "RVX-208" . "3,4',5-stilbenetriol" . "3,5,4'-trihydroxystilbene" . "trans-resveratrol" . "PND-1186" . "PND 1186" . "PND1186" . "lutidinic acid" . "delta-yohimbine" . "rauvasan" . "raubasine" . "rauwolfia alkaloid" . "ML-355" . "SK&F 83589" . "SCH-1518291" . "nitroarginine" . "compound 2 [PMID: 9667974]" . "Dup 714" . "acetylphenylalanyl-prolyl-boroarginine" . "PHA-767491" . "ML 337" . "ML-337" . "compound 5" . "Clotam®" . "PAK104P" . "Example 23 [WO2010104899A1]" . "SGI 1776" . "SGI1776" . "NSC-407436" . "NSC-97374" . "GNF-Pf-1919" . "GNF-Pf-4440" . "compound 2 [PMID: 17601739]" . "A 1120" . "compound 33 [PMID: 24835984]" . "SR-121463B" . "SR-121463F" . "lanosterin" . "SR-142801" . "I-SAP" . "Ro-251553" . "Chlorindan" . "(23S,25R)-1α,25-(OH)2D3-26,23-lactone" . "cholestane" . "(3β,20R)-lanosta-8,24-dien-3-ol" . "(3β)-lanosta-8,24-dien-3-ol" . "D-myo-PI[3,4]P2" . "xylometazoline" . "SK&F 89748-A" . "JNJ10191584" . "(+)-SK&F10047" . "pregna-4,17-diene-3,16-dione" . "Xaluprine®" . "polymyxin E" . "fluormethylprednisolone" . "P3,4I" . "cholestan" . "Promixin®" . "Colobreathe®" . "MRX-1" . "RU486 " . "DY-131" . "lysophosphatidic acid" . "MRX-I" . "3-Hydroxy-3-methylglutaryl-CoA " . "mevalonate" . "MRX-4" . "(R,R)-quinuclidinyl-4-[18F]-fluoromethylbenzilate(PET ligand)" . "macrophage inflammatory protein-1δ" . "MIP-1δ" . "calcitonin gene-related peptide 2" . "PG901" . "toxin SNX-482" . "lymphotactin-α" . "lymphotactin-α" . "mouse parathyroid hormone" . "(S)-adrenaline" . "(S)-(+)-adrenaline" . "thrombin A chain" . "thrombin B chain" . "thrombin A chain (mouse)" . "thrombin B chain (mouse)" . "thrombin A chain (rat)" . "thrombin B chain (rat)" . "gastrin I" . "DL-mevalonate" . "RP-54476" . "IPP" . "RP54476" . "RP 54476" . "S-acetyl coenzyme A" . "RP-57669" . "MK6096" . "KH" . "Omega-agatoxin-Aa3a" . "omega-Aga-IIIA" . "Omega-agatoxin-Aa4a" . "omega-Aga-IVA" . "Omega-agatoxin-Aa4b" . "PHI-27" . "Ro 251553" . "Ro251392" . "Ro 251392" . "kallidin I" . "L-Asp" . "L-aspartate" . "D-lactate" . "L-glutamate" . "Celebra" . "Otrivine®" . "calcitonin gene-related peptide 1 (CGRP)" . "Etoricoxibe" . "fenobarbital" . "RP57669" . "RP 57669" . "phenylethylbarbiturate" . "Synercid® (dalfopristin + quinupristin)" . "Synercid® (dalfopristin + quinupristin)" . "Otriven" . "Otrivin" . "Baxdela®" . "Otrix" . "xylomethazoline" . "ABT-492" . "Valdyn" . "Aquilda" . "ABT492" . "Celecox®" . "Onsenal®" . "Vioxx®" . "Bextra®" . "Dynastat®" . "Abbott 492" . "Quofenix®" . "Artrodar®" . "Fisiodar®" . "A 56619" . "Dicural®" . "CFC-222" . "CFC222" . "CI-919" . "AT-2266" . "comound 2 [PMID: 23584544]" . "U-100592" . "U100592" . "PNU-100592" . "PNU 100592" . "PNU100592" . "SQ 11302" . "SQ-11302" . "SQ11302" . "Dexacillin®" . "TP-434" . "TP434" . "Xerava®" . "compound 17j [PMID: 2148514]" . "SCH 27899" . "SCH27899" . "SCH-27899" . "Ziracin®" . "DW-116" . "DW116" . "fropenem" . "faropenem medoxomil" . "compound 1 [PMID: 9216830]" . "Xtoro®" . "AL-60371" . "AL60371" . "3-fluoro-D-alanine" . "prostacyclin" . "chloride" . "compound 1 [PMID: 8340925]" . "RS-21607197" . "(-)-deoxyschisandrin" . "72 kDa type IV collagenase" . "MMP-2" . "activated protein C" . "autoprothrombin IIA" . "vitamin K-dependent protein C" . "anticoagulant protein C" . "(-)-dimethylgomisin J" . "prostaglandin H2" . "11-dehydro-TXB2" . "2-acylglycerol" . "1-alkyl-2-acylglycerol" . "salicylate" . "reduced nicotinamide adenine dinucleotide phosphate" . "2-monoglyceride" . "monoglyceride" . "17beta-estradiol-3,17-disulfate" . "estradiol-3,17-disulfate" . "acetyl coenzyme A" . "ABT-538" . "7-epipaclitaxel" . "eosinophil chemotactic cytokine [EoCP]" . "intestinal peptide PHI-27" . "ABT 538" . "C20:5n-3,6,9,12,15" . "succinate" . "citrate" . "cholate" . "5-oxo-ETrE" . "15(S)-hydroxyeicosatetraenoic acid" . "12-(S)-hydroperoxyeicosatetraenoic acid" . "12-(S)-HPETE" . "5-(S)-hydroperoxyeicosatetraenoic acid" . "5-(S)-hydroxyeicosatetraenoic acid" . "15-(S)-hydroperoxyeicosatetraenoic acid" . "leukotriene B4" . "Norvir®" . "α-ketoglutarate" . "2-ketoglutaric acid" . "(±)-isradipine" . "acetylCoA" . "ABBOTT-84538" . "Multin" . "ivermectin B1a" . "clomifene" . "A-84538" . "(-)-bunolol" . "SN6999" . "calcitriol" . "compound 10 [PMID: 20441173]" . "[D-Arg1,D-Trp7,9,Leu11]-Substance P" . "(±)-threo-3-methylglutamic acid" . "D-erythro-MAPP" . "(N-[3-phenyl-3-(4'-(4-toluoyl) phenoxy)propyl]sarcosine" . "(S)-SNAP 5114" . "[11C]-DTBZ " . "[11C]-DTBZ (PET ligand)" . "[11C]-GlySar" . "[123I]-iodobenzovesamicol " . "1,1'-Diisopropyl-2,4'-cyanine" . "[125I]-iodovinyl-TBZ " . "[125I]-T4" . "[125I]-thyroxine" . "[14C]-acetylCoA" . "[14C]-alanine" . "[14C]-ascorbic acid" . "[14C]-glutamine" . "[14C]-glycine" . "[14C]-GlySar" . "[14C]-histidine" . "[14C]-metformin " . "[14C]-methylamine" . "[14C]-TEA " . "[3H]-(2R)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxy-S-(naphthalen-1-yl)propane-1-sulfonamido " . "[3H]-(R)-NPTS " . "[3H]-2-deoxyglucose" . "[3H]-2β-carboxymethy-3β-(4-fluorophenyl)tropane " . "[3H]-alanine" . "[3H]-BSP" . "[3H]-CCK-8" . "[3H]-citalopram " . "[3H]-D-aspartate" . "[3H]-D-aspartic acid" . "[3H]-digoxin" . "[3H]-estradiol-17β-glucuronide" . "[3H]-estrone hydrogen sulfate" . "[3H]-estrone-3-sulphate" . "[3H]-ETB-TBOA " . "[3H]-folic acid" . "[125I]-7-azido-8-iodoketanserine (photoaffinity ligand)" . "7-epitaxol" . "vinyl-L-NIO" . "L-VNIO" . "pyrazolopyrimidine 1" . "ABT-335" . "Lipantil®" . "Supralip®" . "3-Cl-AHPC analogue 10" . "Torin-2" . "torin2" . "compound 3" . "compound 6" . "Vraylar®" . "myo-inositol 1-phosphate 4,5-bisphosphorothioate" . "S 4048" . "CGS 27023A" . "CGS27023A" . "MMI270" . "SCH 900229" . "SCH900229" . "17-ODYA" . "CA-4" . "NSC-613729" . "combretastatin A-4" . "Smac peptide mimetic 20" . "[3H]-GBR12935 " . "[3H]-glutamine" . "[3H]-GlySar" . "[3H]-GSK931145 " . "[3H]-HC-3 " . "[3H]-histidine" . "[3H]-L-aspartate" . "[3H]-L-aspartic acid" . "[3H]-mazindol " . "[3H]-methotrexate " . "[3H]-N-methyl-SSR504734 " . "[3H]-NBTI " . "[3H]-NFPS" . "[3H]-nisoxetine " . "[3H]-paroxetine " . "[3H]-SB-733993 " . "[3H]-taurocholate " . "[3H]-taurocholic acid" . "[3H]-TBZOH " . "[3H]-vesamicol " . "[3H]-WIN35428 " . "[3H]vitamin B1" . "[35S]-ACPPB " . "cyperquat" . "[3H]-thiamine" . "α-[O-methyl-3H]dihydrotetrabenazine" . "α-amanitin" . "α-methyl-D-glucose pyranoside" . "β-CFT" . "β-GPA" . "β-L-hydroxybutyrate" . "glycylsarcosine" . "tritiated glycylsarcosine" . "beta-amyloid protein" . "beta-nerve growth factor" . "β-alanyl-L-histidine" . "[3H]-β-CFT" . "α-ketoadipic acid" . "[3H]-hemicholinium-3" . "1-methyl-4-phenylpyridinium" . "1,2,3-benzenetricarboxylate" . "2β-carboxymethy-3β-(4-fluorophenyl)tropane " . "3,4-methylenedioxymethamphetamine" . "3'-azido-3'-deoxythymidine" . "3'-deoxyadenosine" . "3',4'-dichlorobenzamil " . "1,1'-dimethyl-4,4' bipyridinium dichloride" . "compound 1" . "4-hydroxyproline" . "4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridin-3-ol" . "Nordimet®" . "Buccolam®" . "Moventig®" . "Nyxoid®" . "Opatanol®" . "benzoic acid" . "Ongentys®" . "bongkrek acid" . "bongkrekic acid" . "bromopyruvic acid" . "bromosulfophthalein" . "bromosulfophthalein" . "C18:3,n-6" . "C8 " . "7351" . "dehydroascorbate" . "dihydrotetrabenazine" . "Z-Endoxifen" . "dl-threo-β-benzyloxyaspartate" . "estrone hydrogen sulfate" . "N-Desmethyl-4-hydroxytamoxifen" . "folate " . "Z-norendoxifen" . "glucuronate" . "sodium bicarbonate" . "L-β-threo-benzyl-aspartate " . "Alival®" . "cefalexin" . "cefradine" . "Natpar®" . "[11C]glycylsarcosine" . "Glustin®" . "Pixuvri®" . "Cinqaero®" . "Varuby®" . "Entresto®" . "Neparvis®" . "NutropinAq®" . "Omnitrope®" . "Zalviso®" . "Vyndaqel®" . "TGR-1202" . "TGR1202" . "Ilumetri®" . "Fareston®" . "Venclyxto®" . "Kigabeq®" . "NE52-QQ57" . "GPR4 antagonist 13" . "example 35 [WO2012131633A1]" . "Tosymra® (nasal spray)" . "compound 3b [PMID: 27190599]" . "Hu5A8" . "TMB-355" . "TMB355" . "TNX-355" . "Trogarzo®" . "ibalizumab-uiyk" . "moxetumomab pasudotox-tdfk" . "Lumoxiti®" . "Symmetrel®" . "oleandocetin" . "triacetyloleandomycin" . "Tao®" . "compound 3 [PMID: 28079151]" . "mutant atrial natriuretic peptide" . "mANP" . "HS142-1" . "IW-1701" . "IW1701" . "6-[N-(2-isothiocyanatoethyl) aminocarbonyl]forskolin" . "6-[3-(dimethylamino)propionyl]-14 15-dihydroforskolin" . "KH 7" . "lipoate" . "MP-1" . "methyl α-D-glucopyranoside" . "colorectal cell-derived growth factor (CRDGF)" . "N-[3-(4'-fluorophenyl)-3-(4'-phenylphenoxy)propyl]sarcosine" . "methylformamide" . "2-DG" . "dichloroacetic acid" . "floxidine" . "INCB024360" . "D-aminolevulinic acid" . "D-glutamate" . "TP 0903" . "combretastatin A4" . "5-methyl-THF" . "microcystin-LR" . "formate" . "CA4DP" . "N-acetylneuraminic acid" . "N-hydroxylethyl-1-deoxynojirimycin" . "N,N,N-trimethylammonioacetate" . "nitrobenzylthioguanosine" . "nitrobenzylthioinosine" . "NNC 05-2090" . "O-[2-benzyloxyphenyl-3-flurophenyl]methyl-L-serine" . "O-benzyl-L-serine" . "orotate " . "oxalate2-" . "para-chloroamphetamine" . "pyruvate" . "S-benzyl-L-cysteine" . "S-GI" . "sparsamycin A" . "3-Cyano-L-alanine" . "L-beta-Cyanoalanine" . "tetraethylammonium" . "tetrahydrofolate" . "tetraphenylphosphonium" . "trimethylglycine" . "urate" . "vitamin B1" . "vitamin C" . "26-hydroxycholesterol" . "allopregnanolone" . "leukotriene E4" . "aviglycine" . "[3H]-enadoline" . "TP0903" . "compound 13" . "[125I]-nerve growth factor" . "compound 3c" . "(R)-Ro 65-6570" . "peptide 4a" . "4-1BB ligand" . "CDw137L" . "7-allyl-7,8-dihydro-8-oxo-guanosine" . "GRT6005" . "GRT-6005" . "GRT 6005" . "EPH-related receptor tyrosine kinase ligand 7" . "AL-1" . "LERK-7" . "AP-811" . "AT-202" . "TALL2" . "TRDL-1" . "ZTNF2" . "SCH 221510" . "SCH-221510" . "A proliferation-inducing ligand" . "TNF- and APOL-related leukocyte expressed ligand 2" . "TNF-related death ligand 1" . "AXL receptor tyrosine kinase ligand" . "B- and T-lymphocyte attenuator " . "B- and T-lymphocyte-associated protein" . "B-cell stimulatory factor 3" . "BSF3" . "Banyu Compound-24" . "leucovorin" . "compound 1 [PMID: 19754198]" . "imidazole-dioxolane 1" . "compound 29" . "AS 1949490" . "AS-1949490" . "Penetrex®" . "compound 7e" . "CB-313" . "compound 35 (Leeson et al., 1992)" . "compund 13 [PMID: 8182696]" . "[3H](2S,4R)-4-methylglutamate" . "compound 52 [PMID: 10821708]" . "(2S,4R)-Me-Glu" . "decavanidate" . "Praxbind®" . "C68-22" . "Noditinib-1" . "ML 130" . "ML-130" . "ISP-1" . "(R)-FTY720 methyl ether" . "p-Chlorophenylalanine" . "SGI 1027" . "SGI1027" . "10,11-Methylenedioxy-20S-camptothecin" . "CUDC 101" . "CUDC101" . "Ki-24" . "compound 8 [PMID: 20143778]" . "KMUP 1" . "AC 186" . "IMMU-130" . "compound 3 [PMID: 19128016]" . "PA 452" . "PA-452" . "compound 9 [PMID: 24900278]" . "Nucala®" . "Seebri Neohaler®" . "AM-80" . "CD 2314" . "BM 131258" . "R 483" . "BM13.1258" . "GSK 5182" . "GSK-5182" . "protoporphyrin IX containing Co" . "Ro406890" . "α-(methylamino)isobutyric acid" . "p-aminohippuric acid" . "pantothenate" . "phosphoenolpyruvic acid" . "pyroglutamate" . "fosbretabulin disodium" . "fosbretabulin tromethamine" . "combretastatin A4 phosphate" . "protoporphyrin IX containing Zn" . "KH-7" . "MK-0642" . "[125I]-epidermal growth factor" . "beta-NGF" . "MK0642" . "Ketantin®" . "TNP2092" . "CBR2092" . "CBR-2092" . "growth/differentiation factor 9B" . "GDF-9B" . "LS-54950" . "bone morphogenetic protein 2A" . "BMP-2A" . "LS54950" . "bone morphogenetic protein 3A" . "BMP-3A" . "CorA" . "ACX362E" . "RWJ-54428" . "GDF-10" . "RWJ 54428" . "bone morphogenetic protein 2B" . "BMP-2B" . "MC 02479" . "VG-1-related protein" . "VG-1-R" . "VGR-1" . "MC02479" . "BC7013" . "Altabax®" . "bone morphogenetic protein 8A" . "SB-275833" . "BMP-8" . "SB275833" . "Altargo®" . "analogue 4f [Brown et al., 1991]" . "brain natriuretic peptide 32" . "BNP(1-32)" . "BNP-32" . "c-fos induced growth factor" . "FIGF" . "cardiotrophin-1" . "BRL44154" . "(+)-Sorangicin A" . "inebilizumab-cdon" . "Uplizna®" . "compound 4 [PMID: 19736016]" . "DX619" . "CD30 ligand" . "DU-6859a" . "DU6859a" . "Gracevit®" . "STX" . "compound 33 [PMID: 7932562]" . "CD40 ligand, membrane form" . "DU-6859" . "CD27 ligand" . "DC107" . "DC-107" . "L-701,677" . "LBM415" . "NVP-PDF-713" . "chorionic somatomammotropin-like" . "lactogen-like" . "PDF-713" . "NVP LBM-415" . "ME1228" . "LS-99630" . "NR6" . "CNP-22" . "collagen alpha-1(I) chain" . "alpha-1 type I collagen" . "collagen alpha-1(II) chain" . "alpha-1 type II collagen" . "collagen alpha-1(III) chain" . "collagen alpha-1(IV) chain" . "KB5246" . "colony-stimulating factor" . "CSF" . "M-14659" . "M 14659" . "GR 63116" . "GR-63116" . "ceftrazonal" . "Ro 406890" . "Ro 40-6890" . "Skf 88070" . "ER-35786" . "des[Gln18,Ser19,Gly20,Leu21,Gly22]ANP4ﾖ23-NH2" . "E1010" . "E5564" . "CFTM" . "T-2525" . "Ro 19-5247" . "cholinergic differentiation factor (CDF)" . "differentiation-inducing factor (DIF)" . "human interleukin in DA cells (HILDA)" . "bone-inducing protein (BIP)" . "bone morphogenetic protein 3B (BMP-3B)" . "taurolithocholic acid (TLCA)" . "cefteram pivoxil (prodrug)" . "cefetamet" . "coloradocin" . "LS-90907" . "Robigenin" . "HY-118994" . "CS-0078339" . "TRV120027" . "TRV-120027" . "TRV-027" . "Zepzelca®" . "NSC23766" . "NSC-23766" . "EHT1864" . "EHT-1864" . "EHop016" . "EHop-016" . "PF 956980" . "PF956980" . "PF-00956980" . "LS-14645" . "compound 6b [PMID: 12139443]" . "EPH-related receptor tyrosine kinase ligand 1" . "interferon alpha-II-1" . "compound 10e [PMID: 19408900]" . "TNF alpha-induced protein 4" . "EFL-3" . "ELK ligand" . "AM 580" . "EPH-related receptor tyrosine kinase ligand 2" . "LERK-2" . "EGF-like TGF" . "ETGF" . "TGF type 1" . "example 14 [US8865698 B2]" . "BI 655066" . "BI-655066" . "hMN-14-SN-38 ADC" . "hMN-14-SN-38" . "(S)-N-(5-((R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide" . "ZK222584" . "EFL-2" . "EHK1 ligand" . "EPH-related receptor tyrosine kinase ligand 3" . "PTK787" . "ZK-232934" . "CGP-7978" . "EPH-related receptor tyrosine kinase ligand 6" . "HEK7 ligand" . "HEK7-L" . "embryonic growth/differentiation factor 1" . "HY-15687A" . "GDF-1" . "SAR-407899" . "AR-12286" . "EPH-related receptor tyrosine kinase ligand 8" . "AR 12286" . "ACP-196" . "LERK-5" . "Example 6 [US20140155385 A1]" . "compound 24 [PMID: 19819693]" . "compound 37 [PMID: 26083478]" . "Cotellic®" . "XL518" . "AZD9291" . "ephrin-B1" . "mereletinib (obsolete INN)" . "Tagrisso®" . "urogastrone" . "epithelial mitogen" . "IY5511" . "IY5511HCl" . "EPH-related receptor tyrosine kinase ligand 4" . "LERK-4" . "TG100-115" . "CD95L" . "Darzalex®" . "EMD-1214063" . "MSC2156119J" . "beta-endothelial cell growth factor" . "AZD 8835" . "compound 25 [PMID: 26475521]" . "AZD-8835" . "RP-5264" . "example A1 [US2014011819]" . "AMG-319" . "AMG 319" . "transforming protein KS3" . "FGF-5" . "heparin-binding growth factor 5" . "HBGF-5" . "Smag-82" . "FGF-6" . "LY-3023414" . "HSTF-2" . "example 1 [US8440829]" . "AR67" . "DB-67" . "heparin-binding growth factor 7" . "HBGF-7" . "DB67" . "FGF-8" . "DB 67" . "AR 67" . "FGF-9" . "silatecan" . "compound 14 [PMID:11052802]" . "LFB-R603" . "TG-1101" . "TGTX-1101" . "MLN-1202" . "MLN1202" . "hu1D9" . "Fms-related tyrosine kinase 3 ligand" . "Flt3 ligand" . "SL cytokine" . "activin-binding protein" . "Ninlaro®" . "somatotropin" . "BIIB-033" . "BIIB033" . "Portrazza®" . "tiprolisant [USAN]" . "growth arrest specific protein 6" . "BF2.649" . "GDF-11" . "heparin-binding growth factor 4 (HBGF-4)" . "heparin secretory-transforming protein 1 (HST-1)" . "heparin secretory-transforming protein 2 (HST-2)" . "acidic fibroblast growth factor" . "heparin-binding growth factor 1 (HBGF-1)" . "FGF-1" . "basic fibroblast growth factor (bFGF)" . "fibroblast growth factor 2 (FGF-2)" . "heparin-binding growth factor 2 (HBGF-2)" . "heparin-binding growth factor 8 (HBGF-8)" . "androgen-induced growth factor (AIGF)" . "heparin-binding growth factor 9 (HBGF-9)" . "glia-activating factor (GAF)" . "KB-004" . "KB004" . "CDX-011" . "CR011-vcMMAE" . "IMMU-132" . "hRS7-SN-38-ADC" . "FG-3019" . "REGN-1033" . "bone morphogenetic protein 11" . "GDF-2" . "bone morphogenetic protein 9" . "GDF-3" . "scatter factor (SF)" . "REGN1033" . "radotermin" . "SAR-391786" . "GDF-6" . "GDF-8" . "myostatin" . "GDF-9" . "GW 583340" . "H-3048" . "compound 31 [PMID: 24809814]" . "HDNF" . "nerve growth factor 2" . "NGF-2" . "growth/differentiation factor 8" . "compound 22a [PMID: 22397330]" . "neurotrophic factor" . "NT3" . "SKI-II" . "compound 20dd [PMID: 28406646]" . "Yeliva®" . "HSP-60" . "BLU554" . "CS3008" . "hepapoietin A" . "CS-3008" . "BLU9931" . "analogue 24 [PMID: 27589480]" . "DT-R" . "hepatocyte growth factor-like" . "TAK448" . "RVT-602" . "caplacizumab-yhdp" . "hyaluronic acid" . "hyaluronate" . "IFN alpha-10" . "interferon alpha-6L" . "interferon alpha-C" . "IFN alpha-14" . "interferon alpha-H" . "interferon lambda-2-H" . "IFN alpha-16" . "Vonvendi®" . "interferon alpha-WA" . "IFN alpha-17" . "interferon alpha-88" . "AM-841" . "interferon alpha-T" . "IFN-alpha 21" . "interferon alpha-F" . "IFN-alpha-2" . "IFN-alpha-4" . "interferon alpha-4B" . "interferon alpha-76" . "interferon alpha-M1" . "IFN-alpha-5" . "interferon alpha-61" . "interferon alpha-G" . "IFN-alpha-6" . "interferon alpha-54" . "interferon alpha-K" . "IFN-alpha-7" . "interferon alpha-J" . "interferon alpha-J1" . "IFN-alpha-8" . "interferon alpha-B" . "interferon alpha-B2" . "inhibin alpha chain" . "SNS-062" . "activin beta-A chain" . "SNS062" . "activin βA" . "follicle-stimulating hormone-releasing protein" . "inhibin beta B chain" . "activin beta-B chain" . "inhibin beta C chain" . "activin beta-C chain" . "inhibin beta E chain" . "activin beta-E chain" . "BIIB-062" . "insulin-like growth factor II" . "somatomedin-A" . "interferon alpha-1/13" . "interferon alpha-10" . "interferon alpha-14" . "interferon alpha-16" . "interferon alpha-17" . "interferon alpha-2" . "interferon alpha-21" . "interferon alpha-4 " . "interferon alpha-5" . "interferon alpha-6" . "interferon alpha-7" . "interferon alpha-8" . "interferon alpha-D" . "interferon beta" . "fibroblast interferon" . "interferon gamma" . "immune interferon" . "interferon kappa" . "interferon omega-1" . "growth/differentiation factor 16" . "interleukin-1 alpha" . "hematopoietin-1" . "interleukin-1 beta" . "catabolin" . "interleukin-10" . "BIIB062" . "heat shock 60kD protein 1 (chaperonin)" . "erythroid differentiation factor (EDF)" . "mechano growth factor (MGF)" . "JNJ 40411813" . "apoptosis antigen ligand" . "neurotrophin-5" . "cartilage-derived morphogenetic protein 1 (CDMP-1)" . "growth/differentiation factor 5 (GDF-5)" . "astrocyte-derived trophic factor (ATF)" . "M200" . "VU-0650786" . "VU 0650786" . "VU-0155094" . "VU 0155094" . "ML397" . "ML-397" . "ML 397" . "VU-0422288" . "VU 0422288" . "interleukin-11" . "SAR391786" . "interleukin-12A" . "GDF8" . "mAb 62-7" . "NKSF1" . "Empliciti®" . "compound 9a [PMID: 16171993]" . "trans-metanicotine" . "metanicotine" . "AMG 157" . "AMG-157" . "MEDI-9929" . "MEDI9929" . "interleukin-12B" . "natural killer cell stimulatory factor 2" . "MEDI-528" . "MEDI528" . "7F3com-2H2" . "KB-003" . "KB003" . "PF-03758309" . "interleukin-13" . "multipotential colony-stimulating factor" . "hematopoietic growth factor" . "P-cell-stimulating factor" . "mast cell growth factor" . "interleukin-15" . "interleukin-17 alpha" . "PF3758309" . "example 114 [US8530652]" . "compound 1 [PMID: 24432870]" . "CTLA-8" . "interleukin-18" . "ibocatdekin" . "IPA3" . "LY-3009120" . "interferon-γ-inducing factor" . "interleukin-19" . "melanoma differentiation-associated protein-like protein" . "interleukin-2" . "RG7155" . "RO5509554" . "aldesleukin" . "interleukin-20" . "cytokine Zcyto10" . "interleukin-21" . "ZA11" . "interleukin-22" . "cytokine Zcyto18" . "interleukin-23A" . "interleukin-23 subunit alpha" . "IL-23p19" . "interleukin-24" . "melanoma differentiation-associated gene 7 protein" . "MDA-7" . "interleukin-28A" . "cytokine Zcyto20" . "interferon lambda-2" . "IFN-lambda-2" . "cytokine Zcyto22" . "ADX71149" . "IFN-lambda-3" . "(-)naltrexone" . "IFN-lambda-4" . "interleukin-29" . "interferon lambda-1" . "IFN-lambda-1" . "NVS-CECR2-1" . "CUDC 907" . "PI3K/HDAC Inhibitor centn" . "EPZ015866" . "GSK3203591" . "Alecensa®" . "AP26113" . "PRT062070" . "PRT-062070" . "interleukin-31" . "interleukin-4" . "B-cell stimulatory factor 1" . "PRT-2070" . "binetrakin" . "pitrakinra" . "PRT 062070" . "compound 2.2b" . "AG-221" . "interleukin-6" . "B-cell stimulatory factor 2" . "hybridoma growth factor" . "CTL differentiation factor" . "interleukin-7" . "interleukin-9" . "CC-90007" . "compound 4 [PMID: 26436839]" . "Example 9" . "c-Kit ligand" . "AMG-403" . "JNJ-42160443" . "REGN475" . "TR2" . "SAR164877" . "Herpesvirus entry mediator-ligand" . "MetMAb" . "OA-5D5" . "lipopolysaccharide derived from Gram-negative bacteria" . "interferon β2" . "IL-12A" . "interleukin-3 (IL-3)" . "interleukin-12β" . "interleukin-28B (IL-28B)" . "interleukin-28C (IL-28C)" . "interleukin-1 gamma (IL-1 gamma)" . "OA5D5" . "PRO 143966" . "ACT-333679" . "BAY80-6946" . "PX866" . "MLN1117" . "MLN 1117" . "INK 1117" . "INK1117" . "GIP(1-42)" . "GSK-2126458" . "GSK 2126458" . "GSK2126458" . "LDE225" . "GSKJ4" . "GSK J4" . "BIA 9-1067" . "compound 37d [PMID: 20334432]" . "Wakix®" . "macrophage stimulating protein 1" . "macrophage-CSF" . "RO-482622" . "Ro-26-4550" . "lanimostim" . "meso-diaminopimeilic acid" . "murein" . "musclin" . "Mersarex®" . "MK 0787" . "natriuretic peptide receptor/guanylyl cyclase A-selective agonist type A naturetic peptide (G9T, R11S, G16R)" . "MK0787" . "Omnitarg® (obsolete trade name)" . "ML396" . "ML-396" . "neuregulin 3" . "neuregulin 4" . "NT-5" . "ML 396" . "IRL790" . "SKF82958" . "SKF 82958" . "breast cancer cell differentiation factor p45" . "HSK-3486" . "2C4" . "HSK 3486" . "Avonex® (recombinant IFN-beta-1a)" . "Fensolvi® (leuprolide acetate injectable suspension)" . "phosphomycin" . "glycoprotein Gp34" . "phosphonomycin" . "TXGP-1" . "P18" . "platelet-derived growth factor AA homodimer" . "Veramina®" . "PDGF-C" . "fallotein" . "spinal cord-derived growth factor" . "Monurol®" . "VEGF-E" . "platelet-derived growth factor subunit A" . "PDGF-1" . "FR 31564" . "CEM-102" . "platelet-derived growth factor subunit B" . "PDGF-2" . "platelet-derived growth factor B chain" . "CEM102" . "Taksta®" . "polyinosine-polycytosine" . "R837" . "fusidate" . "sodium fusidate" . "Fucidin®" . "osteoprotegerin ligand" . "Tequin®" . "Zymar®" . "Gatiflo®" . "AM-1155" . "AM1155" . "GTFX" . "GSK2140944" . "GSK-2140944" . "OPC 17116" . "Tumor necrosis factor ligand superfamily member 15, membrane form" . "OPC17116" . "glucocorticoid- induced TNF-related ligand" . "activation-inducible TNF-related ligand" . "TNF-related weak inducer of apoptosis" . "OPC-17116" . "Raxar®" . "CD255" . "Tumor necrosis factor ligand superfamily member 12, membrane form" . "cachectin" . "necrosin" . "S-25930" . "S25930" . "cachectin" . "necrosin" . "R-835" . "R835" . "AR-100" . "TNFα" . "AR100" . "TNF alpha soluble form" . "TNFβ" . "LTα" . "RO-48-2622" . "MK-0787" . "Primaxin® (imipenem + cilastatin)" . "Recarbrio® (imipenem + cilastatin + relebactam)." . "IB-367-03" . "Apo-2 ligand (Apo-2L)" . "IB-367" . "Alimoral" . "KRP-AM1977" . "BC-3781" . "Colofac®" . "osteoclast differentiation factor (ODF)" . "polyinosine:polycytidylic acid" . "receptor activator of nuclear factor κB ligand" . "tumor necrosis factor soluble form" . "glial growth factor (GGF)" . "BC3781" . "Neu differentiation factor (NDF)" . "heregulin" . "Xenleta®" . "Apo-3 ligand (Apo3L)" . "compound 7 [PMID: 24874438]" . "Tabrecta®" . "Elyxyb® (DFN-15; oral solution)" . "BO-2727" . "BO2727" . "L-739,428" . "L-739428" . "BRL-284" . "BRL284" . "P-248" . "P248" . "L-Propicillin" . "ZLD" . "Zyvox®" . "PNU-100766" . "PNU100766" . "U-100766" . "U-100,766" . "Maridomycin III" . "LS-87912" . "Merrem®" . "ICI 194,660" . "SM-7338" . "transforming growth factor beta-1" . "TGF-beta-1" . "transforming growth factor beta-2" . "TGF-beta-2" . "compound (-)-10r [PMID: 26774927]" . "cetermin" . "SB-202190" . "polyergin" . "transforming growth factor beta-3" . "TGF-beta-3" . "transforming growth factor-α" . "tyrphostin AG1478" . "tyrphostin AG879" . "example 19 [WO2014023643]" . "VEGF-C" . "YM-90709" . "vascular endothelial growth factor-related protein" . "5-fluoro-2'-deoxyuridine" . "VEGF-A" . "BIBN4096BS" . "vascular endothelial growth factor A" . "vitamin K-dependent protein S" . "BIBN 4096 BS" . "VEGF-related factor" . "Mestinon®" . "VEGF-B" . "ZD1839" . "Regonol®" . "Prostigmin®" . "QAW039" . "NVP-QAW039" . "NVP-QAV680" . "QGE031" . "NVP-QGE031" . "B cell-activating factor" . "CL-2C" . "dendritic cell-derived TNF-like molecule" . "MEMP1972A" . "CD257 antigen" . "platelet-derived growth factor BB homodimer" . "platelet-derived growth factor AB heterodimer" . "5'-AMP" . "adenosine monophosphate" . "[125I]-brain-derived neurotrophic factor" . "5-hydroxytryptophan" . "RG-7449" . "47H4 v5 hulgG1" . "acetyl-CoA" . "Ca2+/CaM" . "calcium ion" . "cyclic adenosine monophosphate" . "3',5'-guanosine monophosphate" . "3',5'-cyclic GMP" . "3',5'-cyclic AMP" . "compound (+)-10r [PMID: 26774927]" . "example 20 [WO2014023643]" . "cholest-5-en-3β-ol" . "L 663536" . "acetylsalicylic acid" . "18R HEPE" . "2AG" . "IFN-alpha 1/13" . "BIA-10-2474" . "BIA-102474" . "example 362 [WO2010074588]" . "example 66a [WO2009117444]" . "URB-597" . "URB 597" . "BW 373U86" . "zinc" . "zinc ion" . "K252a" . "retinoic acid receptor responder protein 2" . "BW-373U86" . "TIG2" . "RARRES2" . "chemerin-9" . "bioactive chemerin peptide" . "D-myo-inositol" . "Ins(1,4,5)P3" . "1D-myo-inositol 1,4,5-trisphosphate" . "SNC-86" . "α-LA" . "ADL-5747" . "cholecystokinin fragment 26-33 amide (sulphated)" . "DHA" . "dehydroepiandrostenedione" . "TPA" . "tetradecanoyl-β-phorbol acetate" . "α-ketoisocaproic acid" . "3-sulfinoalanine" . "cysteine sulfinate" . "ethanamide" . "diacetic acid" . "2-deoxy-D-glucose" . "dideoxyinosine" . "2-(methylamino)isobutyric acid" . "N-butyl-1-deoxynojirimycin" . "ADL 5747" . "2-oleoyl-glycerol" . "glioblastoma-derived T-cell suppressor factor (G-TSF)" . "N-oleoylethanolamine" . "Flt4 ligand (Flt4-L)" . "compound 36 [PMID: 19694468]" . "Xalkori®" . "2-oleoylglycerol (2OG)" . "12-O-tetradecanoylphorbol-13-acetate" . "vascular permeability factor (VPF)" . "ADL 5859" . "ADL-5859" . "compound 20 [PMID: 18788723]" . "ARM-390" . "AR-M390" . "TCMDC-125815" . "H-Dmt-Tic-NH-CH(CH2-COOH)-Bid" . "Duspatalin®" . "Lipanor®" . "Modalim®" . "WIN-35833" . "Olbetam®" . "JNJ42165279" . "Example 1 [WO2011139951 A1]" . "compound 23 [PMID: 21666860]" . "example 64 [WO2009016498]" . "compound 43a" . "PF152" . "Sinthrome®" . "dideoxycytidine (DDC)" . "p-aminohippurate" . "5-aminolevulinate" . "L-carnosine" . "D-Glu" . "glycocholate" . "glycochenodeoxycholate" . "glycodeoxycholate" . "glycoursodeoxycholate" . "γ-hydroxybutyrate" . "5-methyl-tetrahydrofolate" . "5-methyltetrahydrofolate" . "2-ketoadipate" . "2-oxoadipate" . "vitamin B5" . "phosphoenolpyruvate" . "pidolic acid" . "taurocholate" . "taurochenodeoxycholate" . "taurolithocholate" . "lithocholic acid taurine conjugate" . "lithocholyltaurine" . "1,9-pyrazoloanthrone" . "tauroursodeoxycholate" . "toxin-LR" . "formic acid" . "oxigon" . "CSAG-144" . "perchloric acid" . "Sintrom®" . "erythromycin-A" . "α-methylnoradrenaline" . "thiocyanic acid" . "SC560" . "ASP6537" . "ASP-6537" . "FK881" . "SC236" . "SC58635" . "SC-58635" . "compound 1f [PMID: 9135032]" . "17α hydroxypregnenolone" . "17α hydroxyprogesterone" . "GW 501516" . "β-mercapto-β,β,cyclopentamethylenepropionyl[D-Ile2,Ile4,Ala-NH2]AVP" . "(R,S)-rolipram" . "(±)-rolipram" . "DO-34" . "DH-376" . "α-fluoromethylhistidine" . "α-FMH" . "alpha-FMH" . "erythro-9-(2-hydroxy-3-nonyl)adenine hydrochloride" . "HA1077" . "1-(trichloromethyl)-2-(4-pyridine)ethanol" . "1-aminooxy-3-aminopropane" . "KT109" . "1,3-PB-ITU" . "LEI-105" . "inhibitor 38" . "11-epi-prostaglandin F2α" . "11-dehydro-17-hydroxycorticosterone" . "17-hydroxy-11-dehydrocorticosterone" . "12(R)-HPETE" . "17-OH progesterone" . "17OHP" . "LM-10" . "17-OH-pregnenolone" . "17-hydroxypregnenolone" . "18S-hydroxyeicosapentaenoate" . "18S-RvE1" . "1D-myo-inositol 4,5-bisphosphate" . "1D-myo-inositol 1-phosphate" . "1D-myo-inositol 1,4-bisphosphate" . "1D-myo-inositol 3-phosphate" . "1D-myo-inositol 4-phosphate" . "2-monoolein" . "beta-flupenthixol" . "trans-(E)-flupentixol" . "(E)-flupenthixol" . "Lopac-F-114" . "Metamin" . "flupentixol hydrochloride" . "eformoterol" . "GNF-Pf-4188" . "asperentin" . "DO-264" . "compound 46" . "26RFa" . "compound 5b" . "SarLys[DPhe8]desArg9-bradykinin" . "[Hyp3,Thi5,NChg7,Thi8]-bradykinin" . "3-bromo-N-ethylcinnamamide" . "GR389988" . "GZ389988" . "Ex. 3-15 [US9174986B2]" . "BLU667" . "spiropiperidine 1" . "AT56" . "AT 56" . "(R,S)-5,7-di-tert-butyl-3-hydroxy-3-trifluoromethyl-3H-benzofuran-2-one" . "rac-BHFF" . "BMS986120" . "P4pal10" . "ASP-7663" . "ASP 7663" . "molecule 1 [PMID: 26630251]" . "JT-010" . "JT 010" . "AM0902" . "compound 27 [PMID: 26942860]" . "Nag26" . "compound 30 [PMID: 26267383]" . "compound 26 [PMID: 26267383]" . "compound 3 [PMID: 23886683]" . "Pyr-10" . "SAR-7334" . "(S)-naproxen" . "3-bromo-7-nitroindazole" . "3-Br-7NI" . "3-deaza-adenosine" . "BAY 60-7550" . "nitric oxide-releasing aspirin" . "α,β-methyleneadenosine 5'-diphosphate (αβmeADP)" . "4-chlorophenylalanine" . "AZ-10417808" . "5-lipoxygenase-activating protein" . "ABC inhibitor 2" . "5,6-dichloro-1-β-D-ribofuranosylbenzimidazole" . "5,6,7-trihydroxyflavone" . "6-(3-dimethylaminopropionyl) forskolin hydrochloride" . "7-nitroindazole" . "SCH420814" . "A-134974" . "A 134974" . "ABT-702" . "ABT 702" . "acetaminophen" . "arginase inhibitor 1" . "nitroaspirin" . "NCX 4016" . "NCX4016" . "[αβCH2]ADP" . "ADMA" . "N,N-dimethylarginine" . "aesculetin" . "6,7-dihydroxycoumarin" . "cichorigenin" . "amino guanidine" . "AOAA" . "arachidonoyltrifluoromethylketone" . "arachidonyltrifluoromethyl ketone" . "IDO inhibitor 1" . "ARP 100" . "asymmetric dimethylarginine" . "BAY 41-2272" . "BAY 58-2667" . "BAY 63-2521" . "BAY X 1005" . "benzyloxycarbonyl-Asp(OMe)-Gln-Met-Asp(OMe)-fluoromethylketone" . "benzyloxycarbonyl-Asp(OMe)-Glu(OMe)-Val-Asp(OMe)-fluoromethylketone" . "benzyloxycarbonyl-Leu-Glu(OMe)-His-Asp(OMe)-fluoromethylketone" . "benzyloxycarbonyl-Trp-Glu(OMe)-His-Asp(OMe)-fluoromethylketone" . "benzyloxycarbonyl-Tyr-Val-Ala-Asp(OMe)-fluoromethylketone" . "benzyloxycarbonyl-Val-Asp(OMe)-Val-Ala-Asp(OMe)-fluoromethylketone" . "benzyloxycarbonyl-Val-Glu(OMe)-Ile-Asp(OMe)-fluoromethylketone" . "BRL-50481" . "GDC-0919" . "bromoenolactone" . "CASP8 and FADD-like apoptosis regulator subunit p12" . "CASP8 and FADD-like apoptosis regulator subunit p43" . "CASP8 and FADD-like apoptosis regulator" . "FLICE-like inhibitory protein" . "caspase-1 Inhibitor VI" . "CGP48664" . "SAM 486A" . "CGP 48664" . "RG6078" . "cinnamyl-3,4-dihydroxy-α-cyanocinnamate" . "CJ-13,610" . "CJ-13610" . "CL-82198" . "CL 82198" . "coleonol" . "cortexolone" . "cortodoxone" . "dAMP" . "2'-deoxyadenosine 5'-monophosphate" . "[3-(aminocarbonyl)furoxan-4-yl]methyl salicylate" . "AZ-10606120" . "para-chlorophenylalanine" . "FR 122047" . "FR 122047 hydrochloride" . "AZ 10606120" . "GDP dissociation inhibitor" . "2-(difluoromethyl)ornithine (DMFO)" . "compound-17 [PMID: 18071294]" . "compound 43 [PMID: 19191585]" . "GW-791343" . "AMPCP" . "AMP-CP" . "RQ-15986" . "RQ-00015986" . "OM 174" . "OM-174" . "VTX-2337" . "Lupeol" . "Fagarasterol" . "Nasonex®" . "Elocon® (topical)" . "ARL-67156" . "FPL-67156" . "FPL 67156" . "6-N,N-diethyl-beta,gamma-dibromomethylene-D-ATP" . "PR-957" . "PF-4136309" . "PF4136309" . "INCB-8761" . "compound 17 [PMID: 24900280]" . "compound 19a [PMID: 18630897]" . "VX-765" . "TAK242" . "TAK 242" . "TAK-242" . "B1287" . "compound 13 [PMID:12656598]" . "CF 101" . "CF101" . "LBQ657" . "BMS 346567" . "BMS-346567" . "BMS346567" . "1-methyl-5-nitro-isatin" . "US8497376, 15" . "Bcr-abl Inhibitor II" . "JNJ-42756493" . "compound 4 [WO2011135376]" . "GS-4997" . "compound 1 [PMID: 23466229]" . "NLG 919" . "GF 109203X" . "Gö6850" . "Goe 6983" . "GSK 690693" . "guanosine monophosphate" . "guanosine 5'-monophosphate" . "Hippuryl-His-Leu" . "huntingtin protein" . "IMP" . "inosine 5'-monophosphate" . "inosinic acid" . "1D-myo-inositol 1,3,4,5-tetrakisphosphate" . "JNJ 1661010" . "JNJ-1661010" . "JZL 184" . "STO 609" . "BI-01383298" . "PD-98059" . "U-0126" . "L-cystathionine" . "L-N6-(1-iminoethyl)lysine" . "leukotriene A4" . "lipoxin B4" . "STO-609" . "Rp-8-[(4-chlorophenyl)thio]-guanosine-cyclic 3',5'-hydrogen phosphorothioate" . "mepyrapone" . "methylarachidonoylflurophosphonate" . "arachidonate 5-lipoxygenase-activating protein" . "N-myristoylethanolamine" . "N6-benzyl cyclic AMP" . "N6-ethanimidoyl-D-lysine" . "NKY 80" . "nor-NOHA" . "o-aminobenzoyl-Ser-Pro-Tyr(NO2)-OH" . "OL-135" . "ORL 135" . "OPC 3689" . "oxaloacetate" . "PAC-1" . "pituitary secretory protein I" . "SP-1" . "Go 6983" . "PF-3845" . "PF 3845" . "PF-750" . "PF 750" . "phyllohydroquinone" . "prostaglandin G2" . "PLP" . "P5P" . "UCB-34714" . "cell migration-inducing gene 5 protein" . "ras-like protein TC25" . "UCB34714" . "2-(2-oxo-4-propylpyrrolidin-1-yl)butanamide" . "UCB 34714" . "p21-Rac2" . "ras-related C3 botulinum toxin substrate 3" . "p21-Rac3" . "homocysteine" . "retinoblastoma cell cycle regulation protein" . "pRb" . "retinoblastoma-associated protein" . "RHC 80267" . "U 57908" . "Ro 318220" . "Ro-318220" . "rpS6" . "40S ribosomal protein S6" . "phosphoprotein NP33" . "S-(5'-deoxy-5'-adenosyl)-methylthioethyl-hydroxylamine" . "S-adenosylmethioninamine" . "pyridoxal phosphate" . "SCH 51866" . "serazide" . "Ro 4-4602" . "SM-19712" . "Sn-heme" . "Sn protoporphyrin" . "symmetric dimethylarginine" . "T-0156" . "GSK255B" . "U 73122" . "ubenimex" . "uridine monophosphate" . "UMP" . "uridine 5'-monophosphate" . "L-α-Methyl-3,4-dihydroxyphenylalanine" . "Primicor" . "Jatrosom" . "example 19 [PMID: 23886683]" . "CTA A1" . "MDL 62873" . "MDL62873" . "MDL-62873" . "BRN 2416858" . "BRN-2416858" . "BRN2416858" . "compound 19 [PMID: 26443076]" . "NEO5937" . "oxo-ATP" . "2',3'-dialdehyde ATP" . "ATP dialdehyde" . "oATP" . "NSC-212069" . "NSC-151066" . "NSC-600684" . "N-(N-(N-Glycylglycyl)glycyl)-8-L-lysinevasopressin" . "Variquel®" . "Glypressin®" . "glycyl-glycyl-glycyl-L-cysteinyl-L-tyrosyl-L-phenylalanyl-L-glutaminyl-L-asparagyl-L-cysteinyl-L-prolyl-L-lysyl-glycinamide (4->9)-disulfide" . "TMC114" . "UIC-94017" . "Femodene® (ethinylestradiol, gestodene)" . "2'-deoxycoformycin" . "Millinette® (ethinylestradiol, gestodene)" . "SH-B-331" . "Insidon®" . "compound 4 [Hoffman et al., 2020]" . "Prezista®" . "TMC-114" . "BW-524W91" . "524W91" . "Emtriva®" . "Coviracil®" . "MK6482" . "PT2977" . "compound 2 [PMID: 31282155]" . "uridylic acid" . "VU 0364739" . "WAY-170523" . "WAY 170523" . "WWL 70" . "Y-27632" . "SEQ ID NO: 2" . "adenosine- 3', 5'- cyclic monophosphorothioate, Rp- isomer" . "Briviact®" . "SSR-149,415" . "compound 83α" . "tert-butoxycarbonyl (t-Boc) Met-Leu-Phe peptide" . "Dexilant SoluTab®" . "C18:2" . "MT-4580" . "SR-142,801" . "MT 4580" . "phenethylamine" . "MT4580" . "KHK-7580" . "KHK7580" . "KHK 7580" . "ARN-509" . "ARN509" . "JNJ-56021927" . "rifampin" . "D-Phe-D-Phe-D-Leu-D-Lys-[γ-(4-N-piperidinyl)amino carboxylic acid]" . "CR845" . "SR-48,968" . "FE-202845" . "SKF-38,393" . "SCH-C" . "antibiotic AM-2282" . "INCB 3284" . "compound 13 [PMID: 24900329]" . "NmN-125" . "5-aminosalicylic acid" . "CCX282-B" . "1,24-dihydroxyvitamin D3" . "(±)-amisulpride" . "GSK1605786A" . "SCH-58261" . "[3H]-BIBP3226" . "[3H]-CGP 62349" . "[3H]-CGS23131" . "[3H]-CI977" . "[35S]-dATPαS" . "[3H]-devazepide" . "[3H]-dexamethasone" . "[3H]-eprosartan" . "[125I]-EXP985" . "[3H]-ICI198615" . "[11C]-JNJ-16567083" . "[125I]-L703,606" . "[125I]-L750667" . "[3H]-losartan" . "[3H]-NGD941" . "[3H]-7-OH-DPAT" . "[3H]-ORG2058" . "[3H]-5-oxo-ETE" . "MDX-1100" . "[3H]-R1881" . "BMS-936557" . "(±)-amphetamine" . "DL-amphetamine" . "[3H]-raclopride" . "MLN002" . "MK0812" . "deoxycoformycin" . "3-mercaptopyruvate" . "11-deoxycortisone" . "TBC 1269" . "TBC-1269" . "ang 1-9" . "[3H]-SSR149415" . "[3H]-tiotidine" . "[11C]AZ10419369 (PET ligand)" . "C18:0" . "TBC1269" . "ciclosporin" . "cyclosporine" . "compound 15e [PMID: 9544210]" . "JNJ-40355003" . "MK886" . "KH 28" . "ABS 212" . "ABS201" . "[3H]-aldosterone" . "[35S]-ATPαS" . "[3H]-cAMP" . "[3H]-dihydrotestosterone" . "[3H]-LTD4" . "[3H]-LXA4" . "[125I]-ANP" . "[125I]-BDNF" . "[125I]-CGP42112" . "[125I]-CNP" . "Adalat®" . "Sulpitac" . "mesalamine (USAN)" . "Hypnovel" . "compound 23 [PMID: 24900385]" . "Cordipin" . "Nifediac" . "Nifedical" . "compound 4f [PMID: 24650640]" . "PF 4191834" . "PF4191834" . "compound 4a [PMID: 20851601]" . "Aldactazide" . "Berlactone" . "Novo-Spiroton" . "spiractin" . "spirotone" . "CP-601,927" . "CP 601927" . "Leuprorelin" . "Mirapexin®" . "Amitrex" . "Esmeron®" . "Aldactone®" . "Vesprin®" . "ZYFLO®" . "cyclosporin" . "PF-3463275" . "KB-79869" . "compound 10 [PMID: 19410451]" . "PF03654746" . "Kuvan®" . "[3H]-EYF" . "[125I]-GDNF (rat)" . "[111In]-DOTA-dLVT" . "[111indium]DOTA-dLVT" . "[InIII-DOTA]-BOC-ATE" . "[InIII-DOTA]-NOC" . "[InIII-DOTA]-NOC-ATE" . "[3H]-NPVF" . "[125I]-PrRP31" . "[125I]-Sta" . "farnesyl pyrophosphate (FPP)" . "metalloproteinase inhibitor 1" . "PF-00913086" . "PF 03654746" . "fibroblast collagenase inhibitor" . "M-084" . "CSC-21K" . "TIMP-2" . "MIG-5" . "TIMP-4" . "[3H]fMLP" . "IFN-α1" . "IFN-α13" . "Spravato®" . "K261-1567" . "Ca2+/calmodulin" . "[3H]-rolipram" . "protein Sα" . "Kunitz-type protease inhibitor 1" . "HAI-1" . "ANG-2" . "angiopoietin 3" . "ANG-3" . "angiopoietin-like protein 1" . "LRP-4" . "multiple epidermal growth factor-like domains 7" . "angiopoietin-related protein 7" . "angiopoietin-like factor" . "angiopoietin-like protein 7" . "cornea-derived transcript 6 protein" . "adenosine 5' triphosphate" . "3' 5'-adenosine monophosphate" . "H3-B/INSL5 A chimera" . "RG7929" . "H3 relaxin B-chain/INSL5 A-chain chimera" . "5'-ATP" . "AC-1903" . "compound 31 [PMID: 28325835]" . "[125I-Tyr4]ghrelin" . "[125I-Tyr4]-ghrelin" . "lipoxin A4" . "[125I-His9]ghrelin" . "N-arachidonoylethanolamine" . "[125I-Tyr45]kisspeptin-15" . "[125I]KP13" . "[125I]KP14" . "PDGF subunit A" . "C31" . "3,5,7-trihydroxy-2-(2-bromophenyl)-4H-chromen-4-one" . "AM-12" . "PDGF subunit B" . "PDGFC" . "(5-(4-Fluorophenyl)furan-2-carbonyl)-L-aspartic acid" . "PDGF-D" . "Trifluoromethoxy)phenyl)picolinoyl)-L-aspartic acid" . "[125I]neuromedin U" . "naringetol" . "[125I]NMU-25" . "NPC17731" . "inositol 1,4,5-trisphosphate" . "inositol 1,3,4,5-tetrakisphosphate" . "1,4,5-IP3" . "BE-14348A" . "naringenin 4'-methyl ether" . "4'-Methylnaringenin" . "L-arginosuccinate" . "PF 05105679" . "L-arginosuccinic acid" . "glycocyamine" . "guanidinoacetate" . "guanidineacetic acid" . "PF05105679" . "CPT-2'OMe-cAMP" . "8CPT-2MecAMP" . "osthol" . "7-Methoxy-8-isopentenylcoumarin" . "IL23A" . "NE 10575" . "NE 11808" . "NE 21650" . "3-acetoacetyl-CoA" . "acetoacetyl-coenzyme a" . "acetoacetyl coenzyme A" . "[3H]SR141716A" . "L 735021" . "J 104118" . "E 5700" . "NB 598" . "L 731120" . "L 731128" . "NE 10790" . "NE 58018" . "NE 58027" . "NE 58043" . "NE 58062" . "NE 97220" . "CGA 103586" . "Q 332" . "NE 97221" . "cimadronic acid" . "icandronate" . "incadronic acid" . "Iris-expressed growth factor (IEGF)" . "compound 26 [PMID: 26235950]" . "oleylethanolamide" . "RN9893" . "FTY720-phosphate" . "π-TRTX-Hm3a" . "pi-Hi1a" . "π-Hi1a" . "π-HXTXHi1a" . "Berenil®" . "Pirocide®" . "Azidin®" . "RP001" . "TY 52156" . "TY52156" . "BPH 628" . "BPH 715" . "Wnt-2" . "roof plate-specific spondin-4" . "roof plate-specific spondin-1" . "[hydroxyproline3]-bradykinin" . "compound 6 [PMID: 21928839]" . "compound 2d [PMID: 22974325]" . "oestrone" . "GMP" . "KT5720" . "WIN62,577" . "WIN51,708" . "UK14304" . "BRL37344" . "PF04995274" . "CGP12177A" . "L755507" . "ARC239" . "C3a anaphylatoxin" . "C5a anaphylatoxin" . "C3a anaphylatoxin" . "C3a anaphylatoxin" . "C5a anaphylatoxin" . "C5a anaphylatoxin" . "formyl-Met-Leu-Phe" . "GRP-18-27" . "PTHrP-1-36" . "Int-1-like protein 1" . "PF 04995274" . "protein Wnt-2b" . "protein Wnt-13" . "protein Wnt-3a" . "protein Wnt-4" . "WNT6" . "protein Wnt-6" . "protein Wnt-7a" . "protein Wnt-7b" . "protein Wnt-8d" . "WNT-14" . "WNT-15" . "WNT-14b" . "protein Wnt-10a" . "WNT10B" . "WNT-12" . "PF-5190457" . "compound 2 [PMID: 24738581]" . "protein Wnt-11" . "protein Wnt-16" . "hRspo1" . "Norrie disease protein" . "X-linked exudative vitreoretinopathy 2 protein" . "Roof plate-specific spondin-2" . "hRspo2" . "PF-3882845" . "Roof plate-specific spondin-3" . "hRspo3" . "hRspo4" . "CE-224535" . "sFRP-1" . "SARP-2" . "CE-224,535" . "sFRP-2" . "SARP-1" . "sFRP-3" . "Frezzled" . "compound 33 [PMID: 21565499]" . "Frizzled-related protein 1" . "compound 3 [PMID: 21782426]" . "sFRP-4" . "PF-4191834" . "sFRP-5" . "fenoximone" . "MDL 17,043" . "MDL-17,043" . "Dickkopf-related protein 1" . "Perfan®" . "Kringle domain-containing transmembrane protein 1" . "Kringle-containing protein marking the eye and the nose" . "Dickkopf receptor" . "Kremen protein 2" . "Dickkopf receptor 2" . "Kringle domain-containing transmembrane protein 2" . "Kringle-containing protein marking the eye and the nose" . "[des-octanoyl] ghrelin" . "spaglumic acid" . "[3H]-R214127" . "thyroid-stimulating hormone" . "thyrotropin" . "MDL-17043" . "Doralese®" . "Frizzled-related protein 1b (FRP-1b)" . "secreted apoptosis-related protein 3 (SARP-3)" . "Baratol®" . "Celectol®" . "Selectol®" . "REV 5320" . "ST-1396" . "ST1396" . "CD-NP" . "BMN-111" . "BMN 111" . "SP-304" . "[3-glutamic acid(D>E)]human uroguanylin" . "Cesamet®" . "LY 109514" . "LY-109514" . "R-1575" . "R 1575" . "Stugeron®" . "GWP42003-P" . "CP-55,940" . "Tensilon®" . "Enlon®" . "ecostigmine iodide" . "phospholine iodide" . "DTIC-Dome®" . "Estracyt®" . "Emcyt®" . "example 252 [WO2007110237]" . "Taltz®" . "Diconal tablets (dipipanone+cyclizine)" . "pipadone" . "heroin" . "diacetylmorphine" . "acetomorphine" . "Meptid®" . "Pavacol-D®" . "Galenphol®" . "Covonia Dry Cough®" . "Cinqair®" . "Defitelio®" . "secreted apoptosis-related protein 2" . "secreted apoptosis-related protein 1" . "IC351" . "[125I]-[cPP(1-7), NPY(19-23), Ala31, Aib32, Gln34]hPP" . "12r-HETE" . "[11C]-doxepin" . "[125I]-HEAT" . "I309" . "cysteate" . "CYM 50308" . "CYM50308" . "MINO" . "phomin" . "3-hydroxyoctanoate" . "AR-C69931MX" . "HA" . "2-AG" . "LPI" . "L-α-lysophosphatidylinositol" . "CL 59806" . "CL59806" . "calepsin" . "neuropeptide RFRP-3" . "neuropeptide RFRP-1" . "α-lipoic acid" . "C5a des-Arg74" . "CL-59806" . "αCGRP" . "βCGRP" . "βCGRP" . "CCK-8 (sulphated)" . "NSC-141993" . "Dynacin®" . "pentanoate" . "2-OH-saclofen" . "GLP-2 (1-33)" . "GLP-2 (1-33)" . "GLP-2 (1-33)" . "tetrahydrocannabinol" . "KP13" . "QRFP-43" . "QRFP-43" . "QRFP-43" . "Minocin®" . "ACTH (1-39)" . "PREGS" . "PG99-465" . "domoate" . "NSC 288031" . "N-chloromethylbrucine" . "ICI182780" . "ICI 182780" . "POL7080" . "2-I-MLT" . "dihydroflumethiazide" . "RG-7929" . "RO-7033877" . "methforylthiazidine" . "Ro84304" . "PF 1593" . "Ro 10-6338" . "RO7033877" . "OP-0595" . "OP0595" . "RG6080" . "RG-6080" . "RO7079901" . "anthracene-10-carboxylic acid" . "RO-7079901" . "9-AC" . "WCK 4873" . "[3H]-5-HT" . "2-aminoethoxydiphenylborane" . "4α-phorbol 12,13-didecanoate" . "[3H]HC-3" . "aspirin triggered 15-epi lipoxin A4" . "15-HETE" . "[3H]-estradiol" . "[3H]estradiol" . "oestrodiol" . "desmethylclozapine" . "[Hyp3]-lysyl-bradykinin" . "ARL69931" . "CaM" . "calmodulin" . "WCK-4873" . "WCK4873" . "C-7819B" . "Narasin A" . "Lilly 79891" . "Monteban®" . "TG-873870" . "TG873870" . "Taigexyn®" . "HB115" . "HB-115" . "carofur" . "HSR-903" . "HSR903" . "PTK-0796" . "PTK0796" . "Nuzyra®" . "RD 1403" . "compound 6 [PMID: 21302930]" . "amadacycline" . "CP-14,445" . "CP-14445" . "Xepi®" . "Ozadub®" . "Edemex" . "Fontego" . "Lunetoron" . "dl-sulpiride" . "(±)-sulpiride" . "sulpyrid" . "Trilan" . "A317567" . "ZD-9238" . "T-3912" . "frizzled protein, human endometrium (FrpHE)" . "T3912" . "DB-289" . "DB289" . "Antibiotic 273 A" . "U-70,138" . "U-70138F" . "SQ-83360" . "SQ83360" . "compound 2 [PMID: 25658376]" . "SQ 83,360" . "CP-33,994-2" . "CP-33,994" . "ACHN-490" . "ACHN490" . "Zemdri®" . "U95376" . "U-95376" . "compound 21 [PMID: 17303420]" . "4-(heptyloxy)benzolol" . "(R,S)-4-methylhomoibotenic acid" . "[125I]H2 relaxin" . "Eumovate®" . "compound 14 [PMID: 24900381]" . "TPT-260" . "TPT260" . "compound 1 [PMID: 24747528]" . "U-83860" . "BMPEA" . "β-PEA" . "(S)-HexylHIBO" . "[125I]-[Tyr26]galanin" . "[125I]-[Tyr26]galanin" . "[125I]-Tyr0-sauvagine" . "[3H]-9-cis-retinoic acid" . "[3H]-CGP12177" . "[3H]CGP 12177" . "[3H]-CGP27492" . "[3H]-3-APPA" . "[3H]3-APPA" . "[3H]-d[D-Arg8]VP" . "[3H]-dihydroalprenolol" . "[3H]-LPA" . "[3H]1-oleoyl-LPA" . "[3H]lysophosphatidic acid" . "[3H]-methoxymethyl-MTEP" . "[3H]-prazosin" . "[3H]-tamoxifen" . "[3H]-UK14304" . "AngX" . "CDT6" . "[3H]-YM298198" . "[3H]A 804598" . "[3H]A-317491" . "[3H]A 317491" . "[3H]iometopane" . "TBC5182" . "GOE 2450" . "[3H]β-CIT" . "[35S]-ATPgammaS" . "[32P]-S1P" . "α-artemisolic acid" . "13-hydroxylinoleic acid" . "coriolic acid" . "M-MPEP" . "Bombina variegata protein" . "Exosurf Neonatal®" . "phosphatidylinositol (3,4)-bisphosphate" . "PtdIns(3,4)P2" . "MCN-3802-21-98" . "compound 17 [PMID: 21882827]" . "(±) acid 3" . "rac-etomoxir ethyl ester" . "Debio 0827" . "Debio-0827" . "19-IIIa" . "compound 2a [PMID: 25692029]" . "DB36" . "ALX-0061" . "SA-237" . "SA237" . "X124-G01" . "DX-2930" . "TG-02" . "SB1317" . "SB-1317" . "compound 26h [PMID: 22148278]" . "4-heptoxyphenol" . "4',6-diamidino-2-phenylindole" . "antifade" . "alfadione" . "alfaxalone" . "LY2951742" . "5α-alphaxalone" . "LY-2951742" . "A 85380" . "AM 285" . "clone III" . "PF-06252616" . "R 16659" . "AT II (3-8)" . "PF06252616" . "clone OGD1.0.0" . "Lipuro" . "Propiscin" . "Radenarcon" . "D-etomidate" . "dl-methadone" . "Eptadone" . "Metasedin" . "(±)-methadone" . "8c10" . "BTT-1023" . "Rocephin®" . "racemic methadone" . "BTT1023" . "SI-3106" . "SI-636" . "r8c10" . "TRC-105" . "TRC105" . "c-SN6j" . "ITI-007" . "LY-3191748" . "18F-AV-1451" . "[F-18]T807" . "flortaucipir F-18" . "XG-102" . "D-JNKI-1" . "SC 22716" . "GSK 334429" . "GSK-334429" . "PLX-7486" . "FPA008" . "FPA-008" . "ARRY 382" . "ARRY382" . "IMC-CS4" . "compound 33 [PMID: 21650152]" . "GSK2816126" . "CPI 1205" . "CPI1205" . "GSK-2879552" . "Example 26 [WO2012135113]" . "BAY-1238097" . "BAY 1238097" . "YC1" . "compound 10 [PMID: 26815195]" . "ACT 335827" . "compound 9 [PMID: 23589487]" . "Venclexta®" . "CGP-61594" . "GS-39783" . "ICI-136753" . "azelaoyl PAF" . "ALX-0081" . "cytisin" . "anti-vWF Nanobody" . "CYM 50358" . "CYM50358" . "G1T-38" . "example GG [US9464092B2]" . "BCX 2600" . "benzosulfimide" . "saccharimide" . "benzyl quinolone carboxylic acid" . "LOXO195" . "example 28 [WO2017075107A1]" . "17-pt-PGE2" . "UR-7276" . "UR7276" . "TPX0005" . "example 93 [US20170334929A1]" . "C1-Bodipy-C12" . "calcitonin-receptor stimulating peptide" . "CRSP-1" . "TAK931" . "phosphonoformic acid" . "catenin beta-1" . "CMI 488" . "(+)-epibatidine" . "CP 526555" . "example 108 [US9655900B2]" . "cystine" . "(-)-cystine" . "α-thujone" . "LOXO292" . "L-dicysteine" . "D-Ala-Lys-N(epsilon)-7-amino-4-methylcoumarin-3-acetic acid" . "(D)-Ala-(L)-Lys-Nε-AMCA" . "dbcAMP" . "example 163 [WO2018071447A1]" . "FT2102" . "diadenosine pentaphosphate" . "diadenosine triphosphate" . "dothiorelone G" . "EGYT 3886" . "example 26 [US9834539B2]" . "HOE 36-801" . "FG 9065" . "6-cyano-7-nitroquinoxaline-2,3-dione" . "example 189 [WO2013028818A1]" . "GDP-β-S" . "Gdp(beta-S)" . "OMP-54F28" . "heat shock protein HSP 90-beta" . "heat shock 84 kDa" . "HSP84" . "HSP 84" . "hemoglobin subunit beta" . "hemoglobin beta chain" . "Hepc20" . "Hepc25" . "ICI-136,753" . "OMP54F28" . "Lu AE51090" . "N-dihomo-γ -linolenoylethanolamine" . "N-docosatetraenoylethanolamine" . "NA-GABA" . "NSC 185" . "FT 3422-2" . "FZD8-Fc" . "NM-MCD 80" . "GSA10" . "compound 22 [PMID: 12391318]" . "Go 3450" . "GOE 3450" . "CI 945" . "Smoothened agonist" . "11-Deoxyjervine" . "Bexal" . "Gabamox" . "Gabapen" . "KAAD-cyclopamine" . "Generis" . "carboxyphosphonic acid" . "phosphonocarboxylic acid" . "2-oxolanone" . "4-butanolide" . "Baptitoxin" . "Sophorin" . "Ulexin" . "cyclopentimine" . "hexazane" . "cypentil" . "actosin" . "cyclic AMP dibutyrate" . "naramycin A" . "guanosine 5'-O-(2-thiodiphosphate)" . "6-cyano-2,3-dihydroxy-7-nitroquinoxaline" . "3-keto, N-aminoethyl aminocaproyl dihydrocinnamoyl cyclopamine" . "Shh signaling antagonist V" . "LY2940680" . "LY-2940680" . "CP376395" . "CP-376,395" . "compound 3a [PMID: 18288792]" . "cyclo(31-34)[DPhe(11),His(12),C(alpha)MeLeu(13,39),Nle(17),Glu(31),Lys(34)]Ac-sauvagine(8-40)" . "astressin2-B" . "peptide 20 [PMID: 12361401]" . "Astressin2-B" . "BL1249" . "BL 1249" . "Aerosporin®" . "SK83566" . "3α,5α-tetrahydroprogesterone" . "3α,5α-THP" . "SAGE-547" . "SAGE547" . "Zulresso®" . "compound 3 [PMID: 30272974]" . "JZP-110" . "JZP110" . "neuropeptide E-I" . "NEI" . "neuropeptide-glutamic acid-isoleucine" . "neuropeptide G-E" . "NGE" . "neuropeptide-glycine-glutamic acid" . "Ro 5212773" . "RP-62203" . "VPC-32179" . "NSC 117181" . " α-cyclopiazonic acid" . "prostaglandin F2α ethanolamide" . "prostamide F2α" . "azelaoyl PC" . "1-palmitoyl-2-azelaoyl PC" . "Y-134" . "PbTx1" . "PD 144723" . "(R)-lansoprazole" . "CI 1008" . "ethinyl estradiol" . "Megace®" . "Magestin" . "megestryl acetate" . "Chronopil" . "Cabometyx®" . "SEP-225,289" . "OSI906" . "ICI 35868" . "R 72063" . "RC 61-91" . "(±)-ifenprodil" . "OSI 906" . "GSK212" . "L-779,450" . "compound 1 [PMID:18346893]" . "L-779450" . "compound 2 [PMID: 16260133]" . "NSC 28708" . "ZM-336372" . "ZM 336372" . "compound 1 [PMID: 15454231]" . "PLX-8394" . "saccharose" . "salicylic salicylidenehydrazide" . "salicylaldehyde salicyloylhydrazone" . "PLX 8394" . "RG-7221" . "RG7221" . "salicylidene-N'-salicylhydrazide" . "TAK 390" . "T 168390" . "RO5520985" . "MGCD 265" . "MGCD-265" . "MGCD265" . "compound 10a [PMID: 18434145]" . "GSK'583" . "MK 0893" . "N-[(4-{(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-1-yl]ethyl}phenyl)carbonyl]-β-alanine" . "U 18714" . "MK-0893-005" . "prostaglandin F1α" . "vitelliform macular dystrophy 2-like protein 3" . "VU0405652" . "W 554" . "MK0893" . "SB 674042" . "ADD 03055" . "SB674042" . "Trintellix®" . "wnt inhibitory factor 1" . "WIF-1" . "Wy 8678" . "NSC 68982" . "compound 26 [PMID: 26745766]" . "Neugaba 75" . "PF-06687252" . "compound 16 [PMID: 27115555]" . "agonist 13 [PMID: 22724451]" . "(+)-lansoprazol" . "S-297995" . "S-297,995" . "pentobarbituric acid" . "(±)-pentobarbital" . "AN2728" . "(RS)-pentobarbital" . "Gabanext 75" . "Mahagaba-75" . "Maxgalin 75" . "Pregalin 75" . "(S)-pregabalin" . "Ampofol" . "Anepol" . "Aquafol" . "Diprifusor" . "Diprofol" . "Propovan" . "Recofol" . "Vetofol" . "Fresofol" . "2,6-diisopropylphenol" . "1-methylbenzene" . "Antisal 1a" . "methacide" . "methylbenzol" . "phenylmethane" . "Toluol" . "Dexilant®" . "Normelatonin" . "O-demethylmelatonin" . "N-acetyl-5-hydroxytryptamine" . "AN 2728" . "compound 5b [PMID: 19303290]" . "Ketalar" . "(S)-Ketamine" . "(S) Ketamine" . "(2R,6R)HNK" . "ZINC67740571" . "3-(5′-hydroxymethyl-2′furyl)-1-benzyl-indazole" . "BMS-936564" . "MDX-1338" . "[Ser11](N-CNP,C-ANP)pBNP(2-25)" . "Cy5-hNPS" . "ML 154" . "NCGC 00185684" . "NCGC00185684" . "Zurampic®" . "compound 11q [PMID: 27144831]" . "example 77 [WO2014037750]" . "LY3012207" . "nitric oxide" . "nitrogen monoxide" . "leconotide" . "compound 9m [PMID: 22708876]" . "BHF177" . "thymidine 5'-triphosphate" . "5-methyl-UTP" . "ribothymidine triphosphate" . "SNX-230" . "AM-336" . "AM336" . "CNSB004" . "SNX-238" . "Omega-ctenitoxin-Pn3a" . "IMC-3G3" . "Neurotoxin Tx3-4" . "ω-phonetoxin-2A" . "ADX-N05" . "ADXN05" . "Phoneutriatoxin 3-4" . "RX-1741" . "ω-CNTX-Pn2a" . "ω-ctenitoxin-Pn2a" . "Neurotoxin Tx3-3" . "PnTx3-3" . "MCD peptide" . "potassium channel toxin α-KTx 5.4" . "κ-theraphotoxin-Sc1a" . "κ-TRTX-Sc1a" . "stromatoxin-1" . "Potassium channel toxin α-KTx 1.11" . "SloTx" . "potassium channel toxin α-KTx 2.1" . "NTx" . "Toxin II.11" . "MTX" . "potassium channel toxin α-KTx 6.2" . "potassium channel toxin α-KTx 2.2" . "potassium channel toxin α-KTx 5.1" . "RX1741" . "RX-103" . "Ktx" . "BmKTX" . "potassium channel toxin α-KTx 3.6" . "κ-theraphotoxin-Cj1a" . "κ-TRTX-Cj1a" . "Jingzhaotoxin-11" . "JZTX-11" . "JZTX-XI" . "β-theraphotoxin-Cj1a" . "β-TRTX-Cj1a" . "Jingzhaotoxin-3" . "JZTX-III" . "RX103" . "potassium channel toxin α-KTx 2.5" . "HgTX1" . "Heteroscodratoxin-1" . "κ-TRTX-Hm1a" . "κ-theraphotoxin-Hm1a" . "κ-sparatoxin-Hv1b" . "κ-SPRTX-Hv1b" . "HpTX2" . "Toxin KJ6" . "Toxin APETx1" . "[D-Ser2, Leu5, Thr6]-enkephalin" . "HS 014" . "Potassium channel toxin α-KTx 5.2" . "AmP05" . "leiurotoxin I-like toxin P05" . "neurotoxin-2" . "Toxin AFT-II" . "Toxin AFII" . "AZD7594" . "anemonia viridis toxin 2" . "LY3023414" . "PF-06651600" . "TAS-115" . "major neurotoxin BcIII" . "neurotoxin BeKm-1" . "potassium channel toxin γ-KTx 2.1" . "Potassium channel toxin Bgk" . "β-mammal toxin Cn2" . "Toxin 2" . "Toxin II.9.2.2" . "β-mammal toxin Css4" . "Css IV" . "β-mammal/insect toxin Ts7" . "ATB-346" . "Tityustoxin VII" . "CYC065" . "TsTX-VII" . "CYC-065" . "[3H]-[d-Pen2,d-Pen5]-Enkephalin" . "compound 20 [PMID: 16332435]" . "AZD3759" . "Inh 1 [PMID: 32284327]" . "Inh 2 [PMID: 32284327]" . "Nabac®" . "cyclosporine A" . "d-tubocurarine" . "noradrenaline" . "oxoglutarate" . "G1" . "CGX-1160" . "α-CTx ImI" . "ω-filistatoxin-Kh1a" . "ω-FLTX-Kh1a" . "Geographutoxin I" . "GTx-I" . "Myotoxin I" . "μ-conotoxin P3.7" . "potassium channel toxin α-KTx 7.1" . "Decapeptyl®" . "S-Y048" . "Diphereline" . "Gonapeptyl" . "Variopeptyl® 0.1" . "toxin ATX-II" . "toxin PiTX-K-α" . "Leiurotoxin-1 (LeTx1)" . "Lupron®" . "potassium channel-blocking toxin 2" . "G3.9" . "GRL0617" . "compound 25 [PMID: 19645480]" . "tat-M2NX" . "Gimoti® (metoclopramide nasal spray)" . "compound 5 [Schoeder et al., 2020]" . "compound 2Ak [PMID: 17827019]" . "Vantas®" . "κ-theraphotoxin-Ps1b" . "κ-TRTX-Ps1b" . "PaTX2" . "potassium channel toxin ShK" . "L 366948" . "ω-ctenitoxin-Pn4a" . "ω-CNTX-Pn4a" . "Neurotoxin Tx3-6" . "PhAlpha-1-beta toxin" . "PhAlpha-1-beta" . "SRTX-C" . "S6C" . "Sarafotoxin-C" . "sBmTX3-delYP" . "GR-64349" . "L-365209" . "Tat1-86" . "MTII" . "α-NDP-MSH" . "PMX-53" . "L-cysteine sulfinic acid" . "cysteine sulfinic acid" . "γ-guanidino sulphonic acid" . "DC 13-212" . "A71378" . "AC 178335" . "AC 187" . "salmon calcitonin (8-32) reduced" . "AP 811" . "AR-R 15849" . "ARL 15849XX" . "FPL 15849" . "B 9430" . "B 9858" . "BBL 454" . "BBL454" . "BC 254" . "D 21074" . "ORF 23541" . "DC-(23-99)" . "MW 1164" . "H-5886" . "BC264" . "BC 264" . "SNX-482" . "[PhAc-Tyr1,D-Arg2,Phe(4-Cl)6,Arg9,Abu15,Nle27, D-Arg29]hGH-RH(1-29)NH2" . "rho-conotoxin TIA" . "cyanamid 154806" . "cyanamid 154806" . "CYN 154806" . "JV 1-36" . "[K16,D20]-OSK1" . "[Nac0,D-Arg2,Phe(4-CI)6,Abu15,Nle27]hGHRH-(1-28)Agm" . "[Nphe1,Arg14,Lys15]nociceptin-NH2" . "L 156602" . "PD 124966" . "BQ 123" . "D 23487" . "D 24710" . "F 180" . "GR 100679" . "GR 138676" . "GR 231118" . "GW 1229" . "HS 024" . "JMV 1116" . "JMV 2004" . "JMV 310" . "JMV 431" . "JMV 449" . "JMV 457" . "JMV 458" . "JMV 594" . "JV 1-38" . "JV 1-42" . "JV 1-63" . "KP 102" . "L 362823" . "L 362855" . "L 363301" . "L 363568" . "MK 301" . "MSD-L 363301" . "L 363409" . "MK 363-409" . "L 366682" . "L 366875" . "MZ 4-71" . "MZ 5-156" . "MZ 6-55" . "NPC 567" . "BIM 31006" . "p-guanidinobenzoyl-[Des-Gly10]-MCH(7-17)" . "SOM 230" . "SOM 320" . "pBC 264" . "PRL 2915" . "PRL 2970" . "R 486" . "MEN 10295" . "[Trp7,β-Ala8]neurokinin A(4-10)" . "R 715" . "S 36057" . "UFP 102" . "UFP 112" . "decapeptide I" . "ICI 118630" . "GR-94800" . "D 24598" . "RS 26306" . "SB-075" . "HOE 766" . "HOE 766A" . "ICI 123215" . "PPI 149" . "R 3827" . "ORF 17070" . "RWJ 17070" . "DCC-2036" . "lobradimil" . "cereport" . "DCC 2036" . "DP-1919" . "Suprefact®" . "Victoza®" . "receptal" . "DCC-270" . "Ipstyl" . "Etilamide" . "Plenaxis®" . "DP-5164" . "DCC-2701" . "Compound 52 [PMID:18226897]" . "5A peptide" . "Tecentriq®" . "SB2" . "derivative 11a [PMID: 27115835]" . "Orgalutran®" . "MEN 11420" . "UK 116044" . "[D-Tyr1,(NMe)Phe3]neuropeptide FF" . "CINC" . "luteinising hormone" . "compound 4 [PMID: 27167172]" . "TSHβ" . "Sunosi®" . "GROα" . "Cys(Acm)2,7-h-αCGRP" . "CGP 42112" . "CGP 42112A" . "[125I][Tyr3]octreotide" . "PL 017" . "dendrotoxin" . "dendrotoxin I" . "venom basic protease inhibitor 1" . "WKYMVM" . "compound 7c [PMID: 26396690]" . "β-Methylphenethylamine" . "β-Me-PEA" . "1-amino-2-phenylpropane" . "doPA" . "JNJ63533054" . "decynium-22" . "AG 489" . "I-RTX" . "rottlerin" . "agarin" . "pantherine" . "D-22" . "LHβ" . "pseudoisocyanine" . "[125I]BE2254" . "[125I] BE2254" . "[125I] HEAT" . "Mayzent®" . "LHβ" . "MK-679" . "MK679" . "MK 679" . "MK571" . "MK 571" . "BAY 59-3074" . "lutropin subunit beta" . "BAY593074" . "luteinizing hormone subunit beta" . "BAY-59-3074" . "MK-0571" . "LY-3090106" . "LH beta subunit" . "TSHB" . "thyroid-stimulating hormone subunit beta" . "TSH-B" . "TSH-beta" . "TSH beta subunit" . "thyrotropin subunit beta" . "LY 3090106" . "compound 17b [PMID: 30869893]" . "TSH-B" . "LUF-7602" . "TSH beta subunit" . "TSH beta subunit" . "compound 12 [PMID: 30869888]" . "compound 9k [PMID: 30446313]" . "MCLA117" . "MCLA-117" . "TSHB" . "PB9122" . "FSH-B" . "BAY-1895344" . "FSH beta subunit" . "FSHB" . "BAY 1895344" . "VX-970" . "FSH-B" . "VX970" . "M6620" . "FSH beta subunit" . "BAY 2731954" . "BAY-2731954" . "BAY 2731954" . "choriogonadotropin subunit beta" . "CG-beta" . "chorionic gonadotrophin chain beta" . "luteinising hormone subunit beta" . "luteinizing hormone" . "luteinising hormone" . "luteinising hormone" . "luteinizing hormone" . "luteinising hormone subunit beta" . "GNE616" . "compound 24 [PMID: 30943032]" . "GSK3335065" . "[Tyr8]BK" . "ASN 04885796" . "[Pen5,DTrp7,Orn8]U-II (4-11) (human)" . "kallidin II" . "melanotropin gamma" . "α-DTX" . "dioleoyl phosphatidic acid" . "[125I]neuropeptide W" . "[125I]NPW" . "[3H]-A81988" . "inhibitor C1 [PMID: 28604669]" . "[3H]-(+)-cis-diltiazem" . "[3H]-(+)-fluprostenol" . "[3H]-GR65630" . "2-iodo-[125I]-5MCA-NAT" . "[3H]-L158809" . "[35S]-non-peptide OT antagonist" . "luteinising hormone β subunit" . "Nafazair" . "inhibitor A1 [PMID: 28604669]" . "AC0010" . "AMG 986" . "lutropin β subunit" . "follitropin beta subunit" . "FSHβ" . "AZD6738" . "FSHβ" . "TSHβ" . "FSHβ" . "LYC-55716" . "TAS-120" . "TAK-659" . "TAK659" . "TAK 659" . "APD371" . "DCC2618" . "PBI-4050" . "CB-839" . "[3H]-PD128907" . "[125I]-RTI55" . "[18F]-SPA-RQ" . "[3H]-spiperone" . "antibacterial protein LL-37" . "[3H]-granisetron" . "Peptide 401" . "[Sar9]substance P sulfone" . "ASN 06917370" . "O 1602" . "Abn-CBD" . "CAY10429" . "capric acid" . "chlorochine" . "O-arachidonoylethanolamine" . "diadenosine pyrophosphate" . "APPA" . "diadenosine-5',5'-pyrophosphate" . "HS6666" . "compound 4 [PMID: 23134120]" . "KSC-12-192" . "compound 10 [PMID: 11495579]" . "LY-2456302" . "ALD518" . "dodecoic acid" . "dodecylic acid" . "duodecyclic acid" . "BMS-945429" . "vulvic acid" . "chloraquine" . "3-[125I]LTT-SRIF-28" . "3-[125I](Leu8, D-Trp22, Tyr25)somatostatin-28" . "WRW4" . "[tyrosyl 3,5-3H]DAMGO" . "ALX 40-4C" . "N-alpha-acetyl-nona-D-arginine amide acetate" . "OsK2" . "[3H]propionyl-2fLI" . "Eu-R3/I5" . "ALD-518" . "beclomethasone dipropionate" . "beclomethasone" . "NSC 681107" . "X4 human immunodeficiency virus type 1 gp120" . "Actimmune®" . "human [125I-Tyr9] urotensin-II" . "[125I](Pyr1)[Nle75,Tyr77]-apelin-13" . "cysteine-rich and single thrombospondin domain-containing protein 3" . "mCristin-3" . "roof plate-specific spondin-1" . "Betaferon®" . "cristin-1" . "nucleopondin" . "roof plate-specific spondin-3" . "2-AG ether" . "[125I]-Tyr10-hGHRH(1-44)NH2" . "[125I]GHRH(1-44)NH2" . "VaTx1" . "tau/kappa-theraphotoxin-Pc1a" . "tau/kappa-TRTX-Pc1a" . "tau-theraphotoxin-Pc1b" . "tau-TRTX-Pc2a" . "VaTx2" . "tau-theraphotoxin-Pc1c" . "tau-TRTX-Pc1c" . "VaTx3" . "Ckβ7" . "macrophage inflammatory protein 4" . "Example 1 [US20130116213]" . "PAO" . "phenylarsenoxide" . "complement component C5a" . "small-inducible cytokine A18" . "MC 148 CC chemokine" . "MC 148" . "CH-288" . "Noladin ether" . "arzene" . "d(CH2)5[D-Ile2,Ile4]VP" . "90Y-DOTA-NOC" . "[90Y-DOTA]-1-Nal3-octreotide" . "[3Y]DOTA-OC" . "[3Y]DOTA-octreotide" . "YIII-DOTA-TOC" . "YIII-DOTA-Tyr3-octreotide" . "EP 24332" . "D-23234" . "oxophenylarsine" . "ELD 950" . "eledone peptide" . "RES 701-1" . "cholecystokinin fragment 30-33 amide" . "NPC 349" . "Ocaliva®" . "BPS804" . "BPS 804" . "BCT 197" . "A71915" . "5'-UTP" . "uridine 5'-triphosphate" . "n-dodecanoic acid" . "cristin-3" . "uridine diphosphate glucose" . "uridine 5'-diphosphate" . "5'-UDP" . "9-cis-hexadecenoic acid" . "galactosylsphingosine" . "1-β-D-galactosphingosine" . "1-β-D-galactosylsphingosine" . "BCT-197" . "pyrogallol-5-carboxylic acid" . "BCT197" . "compound A [WO2013139809]" . "EGF-816" . "9-hydroxyrisperidone" . "cyclic [G(2',5')pA(3',5')p]" . "Cyclic guanosine monophosphate-adenosine monophosphate" . "cyclic GMP-AMP" . "PF-04427429" . "LBR-101" . "BVD-523" . "BVD523" . "VRT-752271" . "VRT752271" . "PF-06463922" . "RN-307" . "N-oleoyl dopamine" . "M-PTH(1-21)" . "arachidonoyl LPI" . "HU 310" . "2-arachidonylglyceryl ether" . "LS-191838" . "LY 293111" . "VML 295" . "compound 11 [PMID: :7702637]" . "M-PTH(1-34)" . "TC 14012" . "A 71623" . "C3a receptor superagonist" . "[Ala1,12,Aib3,Gln10,hArg11,Trp14,Arg19]-PTH 1-21-NH2 (human)" . "porcine peptide tyrosine tyrosine (13-36)" . "porcine peptide YY (13-36)" . "[3H]propionyl-BC-264" . "[3H]-Propionyl-BC264" . "[3H]-Propionyl-BC-264" . "[125I]-[Tyr10]CST-14" . "[3H]14-Tyr-N/OFQ" . "human neuropeptide Y (18-36)" . "SNX-111" . "ziconotide" . "[3H]DAVP" . "[3H][D-Arg8]vasopressin" . "tocrifluor T1117" . "[3H]-SR141716" . "CID 1172084" . "CID 1792197" . "CID 2440433" . "CP 55244" . "RO 363" . "9(S)-HODE" . "9(S)-hydroxyoctadecadienoic acid" . "JWH 015" . "JWH-015" . "3-chlorophenyl-biguanide" . "N-vanillylarachidonamide" . "malate" . "HYWH-TIP39" . "[His4, Tyr5, Trp6, His7]-hTIP39" . "[Ala1,12,Aib3,Gln10,hArg11,Trp14,Arg19]-PTH 1-28-NH2 (human)" . "[Ala1,12,Aib3,Gln10,hArg11,Trp14]-PTH 1-14-NH2 (human)" . "Rho-GDI 2" . "Rho GDP-dissociation inhibitor 2" . "M-PTH(1-14)" . "Rho-GDI beta" . "CGP23996" . "CGP-23996" . "S 36077" . "R 396" . "acetoacetate" . "neuromedin K" . "UPF523" . "M-PTH(1-28)" . "adrenocorticotropic hormone (1-39)" . "mouse adrenomedullin" . "agouti-related peptide" . "mouse neuromedin U" . "ang 1-7" . "angiotensin 1-9" . "virodhamine" . "CNI-1493" . "ARF-1" . "follicle stimulating hormone" . "follicle stimulating hormone" . "complement component C3a" . "complement component C5a" . "complement component C3a" . "complement component C5a" . "romosozumab-aqqg" . "CSF-1" . "Rx-01_667" . "U-25873" . "Rancomycin 2" . "BMP11" . "BMP13" . "U-25,873" . "SMP-601" . "SM-216601" . "PZ-601" . "MK-7655" . "MK7655" . "MK-7655A" . "growth hormone-releasing factor" . "thyroid-stimulating hormone" . "thyroid-stimulating hormone" . "(9Z)-hexadecenoic acid" . "Retevmo®" . "Toxin GaTx1" . "[125I]ang-(1-7)" . "protein Wnt-5a" . "thyrotropin" . "thyrotropin" . "SMT19969" . "prokineticin 2" . "prokineticin 1" . "β-melanocyte stimulating hormone" . "β-melanocyte stimulating hormone" . "β-melanocyte stimulating hormone" . "SMT-19969" . "FCE22101" . "FCE-22101" . "rosamicin" . "SCH-14947" . "SCH14947" . "Antibiotic 67-694" . "Antibiotic 67694" . "GV118819" . "GV-118819" . "GV-118819X" . "A-56620" . "A56620" . "Antibiotic 6640" . "Antibiotic 66-40" . "Sch-13475" . "Sch13475" . "Sissomicin" . "sisomycin" . "Solithera" . "T4288" . "T-4288" . "CEM-101" . "CEM101" . "OP-1068" . "72 kDa type IV collagenase" . "gelatinase A" . "MMP-2" . "72 kDa type IV collagenase" . "gelatinase A" . "MMP-2" . "NmN-125" . "Lys-[Hyp3]-BK" . "EB 1089" . "PQ 401" . "PhAR" . "IDN5890" . "macrophage inflammatory protein 2 (MIP-2)" . "WAY 207024" . "(-)-raclopride" . "S-(-)-sulpiride" . "R-(+)-sulpiride" . "IN 3" . "FE200486" . "TAK 385" . "Luliberin III" . "gonadoliberin III" . "gonadoliberin-3" . "β-calcitonin gene-related peptide" . "βCGRP" . "calcitonin gene-related peptide 2" . "Ozespa" . "analogue 24 [PMID: 11551758]" . "compound 12 [PMID: 19007110]" . "methanandamide" . "glycoprotein hormones alpha polypeptide" . "deoxyephedrine" . "DL-methamphetamine" . "CT-1501R" . "(R)-lisophylline" . "Cisordinol®" . "Acuphase®" . "(+)-alpha-propoxyphene" . "(-) 3-hydroxy-N-methylmorphinan" . "40-O-(2-((1-(32-(4-amino-3-(2-aminobenzo[d]oxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-27-oxo-3,6,9,12,15,18,21,24-octaoxa-28-azadotriacontyl)-1H-1,2,3-triazol-4-yl)methoxy)ethyl)-rapamycin" . "ABT-874" . "chorionic gonadotropin alpha chain" . "J-695" . "J695" . "IL-12 p40" . "IL-12 p35" . "IL-12 p70" . "ZP-123" . "GAP-134" . "gonadoliberin-2" . "gonadoliberin II" . "gonadotropin-releasing hormone II" . "luliberin II" . "luteinizing hormone-releasing hormone II" . "LH-RH II" . "neuropeptide RFRP-2" . "cysteine-rich and single thrombospondin domain-containing protein 2" . "cristin-2" . "mCristin-2" . "roof plate-specific spondin-2" . "HCOO-" . "Dipeptide 9f [PMID 19175320]" . "beta-toxin BmKAs1" . "Anquil®" . "BmK activator of skeletal-muscle ryanodine receptor" . "R-4584" . "PYY3-36" . "PYY3-36" . "MCN-JR-4584" . "gastric inhibitory peptide" . "gastric inhibitory peptide" . "flAdipo" . "gAdipo" . "somatomedin" . "cathelicidin LL 37 (human)" . "des-octanoyl ghrelin" . "des-octanoyl ghrelin" . "des-Gln14-ghrelin" . "calcium-calmodulin" . "annexin I, Ac2-26" . "peptide histidine isoleucine" . "SB-399885" . "cysteine-rich and single thrombospondin domain-containing protein 4" . "cristin-4" . "mCristin-4" . "roof plate-specific spondin-4" . "hydrogen chloride" . "GW 9508" . "ilicicolinic acid B" . "(-)-YM617" . "pericyazine" . "RP-8909" . "propericiazine" . "S-raclopride" . "S-(-)-raclopride" . "FSHα" . "HCGα" . "LHα" . "FSHα" . "GPHα" . "HCGα" . "LHα" . "TSHα" . "hCGα" . "menaquinone-2" . "25-hydroxyvitamin D3" . "Ryaldee®" . "POT-4" . "4(1MeW)" . "peptide 14" . "D-23129" . "1-propyl-2',6'-pipecoloxylidide" . "LEA-103" . "AL-381" . "CGS-14831" . "CGS-14824A" . "MK-422" . "Compound 8a [PMID 26334942]" . "Lamprene®" . "example 39 [WO2013130976]" . "MK-0364" . "MK 0364" . "MK0364" . "CP-945598" . "CP-945,598" . "SR-147778" . "α-neo-dynorphin" . "[D-Arg8]VP" . "PYY (3-36)" . "PYY (3-36)" . "PTHrP (107-139)" . "PTHrP (107-139)" . "PTHrP (38-94)" . "PTHrP (1-36)" . "GRP (18-27)" . "GRP (18-27)" . "GLP-1(7-37)" . "GLP-1(7-36)amide" . "dynorphin A (1-13)" . "dynorphin A (1-8)" . "[Hyp3]-bradykinin" . "[Leu]-enkephalin" . "ACTH (11-24)" . "ACTH (1-24)" . "N6-cyclopentyl-2-(3-phenylaminocarbonyltriazene-1-yl)adenosine" . "[Tyr36]-PTHrP 1-36 amide" . "[Tyr34]-PTH 3-34-NH2" . "A 71915" . "2'methyl-2-chloro-N6-cyclopentyladenosine" . "AM (22-52)" . "AM (11-50)" . "[Arg19]-PTH 1-34 (human)" . "α-CGRP (8-37) (human)" . "α-CGRP (8-37) (rat)" . "CXCL12, 1-17" . "CXCL12, 1-9" . "CT (8-32) (salmon)" . "CXCL12, 1-9 dimer" . "CVT-3619" . "[D-Ala2,F5,Phe4]-dynorphin 1-13-NH2" . "[D-Ala2,F5,Phe4]-dynorphin 1-17-NH2" . "ATL-146e" . "des-His(1)-[Leu4-Glu9]-glucagon-NH2" . "des-His(1)-[Glu9]-glucagon-NH2" . "[D-Phe6,β-Ala11,Phe13,Nle14]bombesin(6-14)" . "[D-Phe6,(R)-APA11,Phe13,Nle14]bombesin(6-14)" . "[D-Phe6,Cpa14,ψ13-14]bombesin6-14" . "D-Phe-CRF(12-41)" . "[D-Trp32]-NPY" . "[D-Trp12]-PTH 7-34 (bovine)" . "WRC-0470" . "[D-Trp12,Tyr34]-PTH 7-34 (bovine)" . "CVT-3146" . "CF502" . "UCB 35625" . "E 913" . "PNU-109291" . "V2006" . "[125I][D-Tyr6,β-Ala11,Phe13,Nle14]bombesin(6-14)" . "[D-Tyr6,Apa-4Cl11,Phe13,Nle14]bombesin6-14" . "D-Trp11-neurotensin" . "D-Trp8 γ-MSH" . "D-Tyr8-CYN 154806" . "dynorphin 1-11" . "dynorphin 1-17-NH2" . "[125I]exendin (9-39)" . "[F/G]N/OFQ(1-13)NH2" . "galanin (1-11)" . "GHRH (1-29)NH2 (human)" . "GHRH(1-29)NH2 (rat)" . "GHRH(1-29)OH (human)" . "GIP10-30" . "GIP7-30" . "GIP6-30 amide" . "glucagon 1-6" . "glucagon 1-21" . "GLP-2 (1-29) (rat)" . "[125I]GLP-1(7-37)" . "[125I]GLP-1(7-36)amide" . "[His5,Arg19]-PTH 1-34 (human)" . "[125I] His9-ghrelin (human)" . "[His4, Tyr5, Trp6, His7]-TIP39 (human)" . "[His5]-PTH 1-34 (human)" . "substance P(4-11)" . "substance P(6-11)" . "secretin5-27 (porcine)" . "[βAla8]neurokinin A (4-10)" . "exendin (9-39)" . "[Ile31,Gln34]-PP (human)" . "[Ile5,Glu19,Val21]-PTHrP 1-34 (human)" . "[Ile5]-PTHrP 1-36" . "[Ile5]-PTHrP 1-34 (human)" . "[Ile5]-PTHrP 1-36 (human)" . "[Ile5,Trp23]-PTHrP 1-36 (human)" . "[Ile5,Trp23]-PTHrP 5-36" . "SB 399885" . "SB-269970-A" . "GR 125743" . "[Ile5,Trp23]-PTHrP 2-36 (human)" . "[Ile5,Trp23]-PTHrP 3-36 (human)" . "[Ile5,Trp23]-PTHrP 4-36 (human)" . "[Ile5,Trp23]-PTHrP 5-36 (human)" . "[Ile5,Trp23,Tyr36]-PTHrP 1-36-NH2 (human)" . "[Ile5,Val21]-PTHrP 1-34 (human)" . "[Leu31,Pro34]-NPY" . "motilin1-11 (human)" . "motilin1-12 (human)" . "motilin1-13 (human)" . "motilin1-19 (human)" . "[D-Trp2]galanin(1-29)" . "galanin (2-29)" . "galanin (5-29) (pig)" . "sulphadoxine" . "motilin2-22 (human)" . "N-stearyl-[Nle17] neurotensin(6-11)/VIP(7-28)" . "[Ala1,12,Aib3,Gln10,hArg11,Trp14,Arg19]-hPTH 1-28-NH2" . "[Ala1,12,Aib3,Gln10,hArg11,Trp14]-hPTH 1-14-NH2" . "[Asu7,23']-β-ANP7-28" . "N-α-Ac-PYY22-36 (rat)" . "N-α-Ac-PYY25-36 (rat)" . "KW-3902" . "NAX" . "BG-9928" . "KW6002" . "[Ala1,12,Aib3,Gln10,hArg11,Trp14,Arg19]-hPTH 1-34-NH2" . "SCH-420814" . "dimethylallylpyrophosphate" . "RS-21361" . "O-acetylcholine" . "S-adenosyl-L-homocysteine" . "nicotinic acid adenine dinucleotide phosphate" . "2-methylene-19-nor-(20S)-1 alpha,25-dihydroxy-vitamin D3" . "DL-mevalonic acid" . "1,25-lactone" . "[InIII-DOTA]-BOC-ATE" . "[InIII-DOTA]-NOC" . "[InIII-DOTA]-NOC-ATE" . "RA-18C3" . "[111In-DOTA]-BOC-ATE" . "[111In-DOTA]-NOC" . "[111In-DOTA]-NOC-ATE" . "YIII-DOTA-NOC" . "YIII-DOTA-TOC" . "YIII-DOTA-OC" . "YIII-DOTA-LAN" . "MABp1" . "11-dehydroprostaglandin F2-α" . "palmitoyl-EA" . "2-iodomelatonin" . "[3H]-estrogen" . "[Ala1,12,Aib3,Gln10,hArg11,Trp14,Arg19]hPTH-(1-21)-NH2" . "SR147778" . "SR 147778" . "phorbol-12-phenylacetate-13-acetate-20-homovanillate" . "α-yohimbine" . "corynanthidine" . "veratrine" . "Miraclid®" . "immediate early response protein B61" . "human chorionic gonadotropin" . "hepatocyte growth factor activator inhibitor type 1" . "mitochondrial matrix protein P1" . "diphosphoglycolyproline" . "Ulinase®" . "Urinastatin®" . "(R,S)-diphosphoglycolyl proline" . "N-acetyl-GRP-(20-26)-ethylester" . "K17F" . "[125I][Glu65,Nle75,Tyr77]apelin-13" . "[125I-Tyr4]BN" . "[D-Phe6,Leu13,Cpa14,ψ13-14]bombesin-(6-14)" . "beta-defensin 2" . "[125I]MIP-3α" . "CP 481715" . "PNU 109291" . "PNU-109,291" . "E 6801" . "WAY 181187" . "WAY-181,187" . "SB-399,885" . "SB-656104-A" . "[125I][Tyr8]BK" . "[3H]L-158,809" . "NODAGATOC" . "SNAP 5089" . "R 450" . "Ga-NODAGATOC" . "[125I]-Tyr3-octreotate" . "[125I]-TOCA" . "[125I]-Mtr-TOCA" . "maltotriose-[125I]-Tyr3-octreotate" . "Ga-DOTA-TATE" . "AF-DX 384" . "AFDX-384" . "2-methyl-C18-PAF" . "skin-antimicrobial peptide 1 (SAP1)" . "Inlyta®" . "2-methyloctadecyl PAF" . "Kelfizine®" . "sulfamethoxypyrazine" . "MM-141" . "MM141" . "AZ12607092" . "AZD-7451" . "Example 6 [US8486966B2]" . "GSK-2256098" . "GSK 2256098" . "BAY-1161909" . "R1530" . "R-1530" . "RG1530" . "compound 2 [PMID: 24900658]" . "Balversa®" . "compound 21 [PMID: 26745766]" . "PF8380" . "compound 4 [PMID: 23300119]" . "GLPG1690" . "LGR4455" . "RTH258" . "(+/-)-Abscisic acid" . "(RS)-Abscisic acid" . "(+/-)-(cis,trans)-abscisic acid" . "ABA" . "analogue 7 [PMID: 27933891]" . "BT11" . "GED0301" . "DOTA-Tyr-cyclo(DAB-Arg-cyclo(Cys-Phe-D-Trp-Lys-Thr-Cys)" . "N(4) (0-1),Asp0,Tyr3-octreotate" . "[18F]-FMeQNB" . "(R,R)-[18F]-FMeQNB" . "Ga-DOTATATE" . "Ga-DOTA-octreotate" . "[3H]PZ" . "Ga-DOTATOC" . "DOTA-Tyr3-octreotide" . "SMT487" . "DOTA0-Phe1-Tyr3-octreotide" . "In-NODAGA-Tyr3-octreotide" . "BASS antagonist Analog 4" . "DOTA-BASS analog 2" . "SMS 204,090" . "Tyr3-SMS 201,995" . "TOC" . "[125I]Tyr11-SS-14" . "SS14" . "[67Ga]-NODAGA-Tyr3-octreotide" . "NODAGA-Tyr3-octreotide" . "GR 79236" . "PSB-36" . "MRS-1706" . "MRS 1706" . "PSB 1115" . "PSB-1115" . "MRS 1220" . "L 742791" . "L-748,337" . "L 748337" . "CL316,243" . "L-742,791" . "PD 140548" . "urocortin II" . "CP 376395" . "SP924" . "KT-5555" . "CEP-701" . "LPC 18:1" . "lysophosphatidylcholine(18:1)" . "monoacylglycerophosphoethanolamine" . "LPC 16:0" . "LPC 18:0" . "lysophosphatidylcholine (18:0)" . "GSK461364A" . "PSN 375963" . "PSN 632408" . "PSN-632,408" . "PSN-375,963" . "AR-231,453" . "AR 231453" . "LY-333531" . "neuronostatin-13" . "GSK-690693" . "(Trp63-Trp64)-C3a-(63-77)" . "OLPC" . "A 674563" . "AB-1010" . "ABT 869" . "ABT-869" . "AC 010220" . "AC 220" . "AC220" . "AG013736" . "AG 013736" . "AMG-706" . "AMG 706" . "AST 487" . "NVP-AST 487" . "AT 7519" . "INH 34" . "AZD 2171" . "ZD 2171" . "NSC 741O78" . "AZD6244" . "BI 2536" . "BIRB 796BS" . "BMS 345541" . "SNS 032" . "BMS 387032" . "SNS-032" . "BMS 540215" . "SB-251023" . "CP 690550" . "PD-184352" . "LY-317615" . "CHIR 265" . "CI 1040" . "CP-690550" . "BMS 345825" . "BMS 354825" . "BMS 35482513" . "GSK 1363089G" . "XL 880" . "GW2580" . "HL 275" . "HMR 1275" . "L 86-8275" . "L 868275" . "GDC 0879" . "GNE 0941" . "GSK 1838705A" . "GSK 461364" . "HKI 272" . "STI571" . "SSR-125543A" . "RAF-265" . "CGP 57148" . "INCB 18424" . "JNJ 28312141" . "Ki 20227" . "KW 2449" . "FMM" . "GW 572016" . "GW572016" . "LY317615" . "lysophosphatidylcholine(16:0)" . "AR 00341677" . "GDC 941" . "MLN 120B" . "AZD-1152HQPA" . "BIBW 2992" . "ML-120B" . "ARRY-142886" . "AZD 6244" . "EXEL 2880" . "GSK1363089" . "GDC 0941" . "RAF 265" . "delta9-THCV" . "Δ9-THCV" . "SLV319" . "SLV-319" . "BMS-646256" . "BRL-4664" . "BRL 4664" . "ABL001" . "ABL-001" . "Ga-DOTA-TOC" . "MLN 8054" . "AMN107" . "AMN 107" . "GW 786034" . "PD 173955" . "PHA 665752" . "PIK 103" . "PI 103" . "CGP 41231" . "CGP 41251" . "N-benzoylstaurosporine" . "L-alaninamide" . "PLX 4720" . "CGP 79787" . "pynasunate" . "R 406" . "Ro 4584820" . "SKI 606" . "SK 606" . "TG 100-115" . "TG 100115" . "RWJ-241947" . "TG101348" . "R-547" . "CH 331" . "ZD 6474" . "MK 0457" . "VX 680" . "VX 745" . "NSC 718781" . "OSI 744" . "R 1415" . "ZD 1839" . "AS 1269574" . "AS-1269574" . "AS 1535907" . "AS 1907417" . "NVP-TAE 684" . "APD597" . "AcF[OP-D-Cha-Wr]" . "4,9-anhydro-TTX" . "4,9-ah-TTX" . "A 803467" . "D-AP-5" . "NVT TAE-684" . "D-aminophosphonovaleric acid" . "CT53518" . "PKC 412" . "PB 203580" . "RWJ 64809" . "MCC555" . "MCC-555" . "TG 101348" . "Ro 67-31898/000" . "SGX523" . "GR-205171" . "GR205171" . "SU 14813" . "SCH 619734" . "CJ 11974" . "GR-205171A" . "LY 367385" . "OTX015" . "OTX-015" . "MLN 518" . "Example 1 [US9556146B2]" . "OP1068" . "W-54011" . "W 54011" . "PMX 205" . "JPE 1375" . "SB 218795 R" . "Ro 67-5930" . "compound 13 [PMID: 32511917]" . "OM1700" . "DUP785" . "DUP-785" . "NSC 368390" . "NSC-368390" . "NSC368390" . "belantamab mafodotin-blmf" . "Blenrep®" . "Eurax®" . "compound 19 [PMID: 27437076]" . "WNT-974" . "WNT974" . "LGK-974" . "ETC1922159" . "ETC-159" . "ETC159" . "Pabal®" . "Evrysdi®" . "RG7916" . "RG-7916" . "RO7034067" . "RO-7034067" . "compound 1 [PMID: 30044619]" . "Sirturo®" . "TMC207" . "TMC-207" . "R-207910" . "compound 1a [PMID: 17496888]" . "BDQ" . "PA824" . "PA-824" . "Olinvyk®" . "Veklury®" . "GS-5734" . "compound 10 [PMID:18796354]" . "example 13 [WO2006061714]" . "compound 18c [PMID: 28987604]" . "LW213" . "HTL-22562" . "compound 1 [PMID: 32696648]" . "BIIB-068" . "XPZ-01" . "compound 8a [PMID: 30978322]" . "VX15/2503" . "SEN0014196" . "KD025" . "sapelizumab (deprecated INN)" . "RG6168" . "RG-6168" . "SRK015" . "SRK-015" . "Anti-TFPI" . "NN7415" . "mab2021" . "VIT2763" . "CPI0610" . "BMS986165" . "example I-26 [WO2015037939A1]" . "CCX140-B" . "GNF6231" . "CAM 5187" . "Phe-Lys-Ala-dCha-Cha-dArg" . "CHIPS28-149" . "C5a65-74Y65,F67,P69,P71,D-Ala73" . "SCH-39166" . "SCH39166" . "VUF 9153" . "VUF-9153" . "A 331440" . "A-331440" . "3-OH-octanoic acid" . "PD 168077" . "PD-168,077" . "A-412,997" . "L-745,870" . "L 745870" . "RBI 257" . "L 741742" . "PD-128,907" . "YM-087" . "S 33084" . "M-274773" . "SKF-81,297" . "NMS" . "U-101958" . "U 101958" . "L-741,742" . "[3H]NGD 94-1" . "A-127722" . "A-412997" . "LU-135252" . "HMR-4005" . "YIL-781" . "SB 234551" . "ZD4054" . "ZD 4054" . "[3H]S-0139" . "GW 1100" . "AC-262620" . "AC-262970" . "[3H]neuropeptide VF" . "[125I-Tyr-32]-QRFP" . "CP-105,696" . "CP 105696" . "U 75302" . "[3H]CGS 23131" . "LY223982" . "LY 255283" . "CGS 23356" . "SKF 104353" . "FAP-10" . "FAP-12" . "SEW 2871" . "AUY 954" . "W 146" . "SKF-97,541" . "SKF 97541" . "Bay 27-9955" . "BAY 27-9955" . "L 168049" . "VU-0155041" . "VU 0155041" . "VU-0361737" . "VU 0361737" . "YM-298198" . "AMN 082" . "[Phe13,[125I]Tyr19]MCH" . "S-TBPG" . "NSC 22948" . "α-resorcylic acid" . "5-carboxyresorcinol" . "LS-193,571" . "hydroxycinnamic acid" . "p-coumaric acid" . "decyl phosphate" . "A 127722" . "Cpd-B" . "KMD-3213" . "ICI 182,780" . "TAK375" . "BIM 23014" . "RC-160" . "SMS 201,995" . "dDAVP" . "LGD1069" . "5-ASA" . "AM80" . "X-396" . "ABDP" . "BPH 1" . "(S)-omeprazole" . "frusemide" . "(+)-lisuride" . "S(+)amphetamine" . "levothyroxine" . "D-(cis)-diltiazem" . "CRD-401" . "Example 18 [WO2012048259]" . "SCH 39166" . "Example XCII [US20160175314]" . "5-(cyanosulfanyl)-3-ethyl-N-{2-[4-(piperidin-1-yl)phenyl]ethyl}-1H-indole-2-carboxamide" . "Lyn-IN-1" . "ZCZ-011" . "ZCZ 011" . "conjugate 2e [PMID: 26094118]" . "PF-05082566" . "RG7888" . "MOXR 0916" . "VBP-15" . "EGF816" . "AMG 334" . "SPFX" . "compound 32 [PMID: 26861551]" . "Example 1 in WO2007147824" . "tetrabenazine D6" . "DSP-3025" . "Compound 39 [PMID: 19791800]" . "compound 3b [PMID: 27367336]" . "compound 27 [PMID: 27390919]" . "NVP-AUY922" . "AUY922" . "alpha-cyano-beta-hydroxy-beta-methyl-N-(2, 5-dibromophenyl)propenamide" . "α-cyano-beta-hydroxy-β-methyl-N-(2, 5-dibromophenyl)propenamide" . "GDC0834" . "GDC 0834" . "CGI-560" . "ORG-5222" . "(+)-cis-diltiazem" . "DGPP 8:0" . "[3H]ICI198615" . "[3H]ICI-198,615" . "CGP-55845A" . "R41 468" . "P-[18F]MPPF" . "CP-94,253" . "ARL 66096" . "MRS 2690" . "Ro-115-1240" . "JP-1302" . "4-((piperindin-4-yl)-phenyl)-(7-(4-(trifluoromethyl)-phenyl)-2-naphthoic acid" . "SB-203580" . "RS-67506" . "SCH442,416" . "[3H]SK&F 108566" . "propionyl-BC264" . "RP 73870" . "(R)-L 365260" . "L 365260" . "SHA-68" . "SHA68" . "[3H]L-365,260" . "[3H]PD 140376" . "[3H]-PD140,376" . "NBI 27914" . "R 121919" . "[(18)F]p-MPPF" . "DMP-696" . "D-(+)-phenylalanine" . "PF 04217329" . "CP 544326" . "GV 150013" . "CRA-1000" . "LY-262691" . "compound 3 [PMID:9873496]" . "BAS 00486818" . "Lys-[des-Arg9]-bradykinin" . "Lys-[des-Arg9]BK" . "Lys-[Leu8][des-Arg9]BK" . "Lys-[Leu8][des-Arg9]bradykinin" . "ONO AP 324" . "DTSI" . "BVT 173187" . "suphinpyrazone" . "NSC 75925" . "G 28315" . "AG-11/03 [benzimidazole derivative]" . "TUG424" . "AG-09/1 [benzimidazole derivative]" . "fMet-Met-Tyr-Ala-Leu-Phe [Mitochondria]" . "Trp-Lys-Tyr-Met-Val-[D]Met" . "T20(DP178) [HIV-1 gp41 derived peptide]" . "fMet-Leu-Phe-Glu [E. coli]" . "fMet-Ile-Phe-Leu [S. aureus]" . "fMet-Ile-Val-Thr-Leu-Phe [L. monocytogenes]" . "fMet-Ile-Val-Ile-Leu [L. monocytogenes]" . "compound 5c [PMID: 17931863]" . "Blerone" . "compound 9b [PMID: 19469556]" . "2-hydroxy-decanoic acid" . "2-OH-C10" . "3-OH-C10" . "3-hydroxy-decanoic acid" . "2-OH-C12" . "6-n-octyl aminouracil" . "ICI-118,551" . "[3H]PD 128907" . "[ψ4,5]secretin" . "ACT 333679" . "MRE 269" . "CS-055" . "RP 67580" . "FR 181157" . "GS-4059" . "FK 788" . "ONO4059" . "example 2-8 [US20150353552]" . "Tyvaso®" . "compound 27 [PMID: 30964293]" . "XY-101" . "compound 21 [Taniguchi et al., 2019]" . "risankizumab-rzaa" . "Skyrizi®" . "BLU-285" . "BLU285" . "WIN-14833" . "WIN14833" . "WIN 14833" . "Winstrol®" . "Stromba®" . "Tevabolin®" . "MT203" . "AMG203" . "Vyndamax®" . "SB723620" . "SB-723620" . "NBI34041" . "compound 16a [PMID: 16078829]" . "ONO-2333" . "ONO2333" . "ONO2333MS" . "compound 7b [PMID: 21865047]" . "SSR125543" . "CP-316311" . "CP316311" . "compound 2 [PMID: 18260619]" . "GSK561679" . "GSK-561679" . "NBI-77860" . "NBI77860" . "Compound (S)-8d [PMID: 21074436]" . "BMS-562086" . "BMS562086" . "d(CH2)5Tyr(Me)AVP" . "SKF 100273" . "SKF100273" . "CGP-25838" . "C-terminal core peptide derivative of neuromedin U, bearing (α-Me)Trp2" . "analogue 7b [PMID: 28548497]" . "NMUR1 agonist C7b" . "Ruzurgi®" . "example 2A [WO2010129379]" . "MK7145" . "ARS1620" . "example 227 [US9840516B2]" . "R954" . "AcOrn[Oic(2),(αMe)Phe(5),dβNal(7),Ile(8)]desArg(9)-bradykinin" . "Ro5212773" . "NNC 269100" . "MF 498" . "C528911" . "ANW-61958" . "CJ 42794" . "RQ-00000007" . "NNC-269100" . "cytokine ML-1" . "CJ 023423" . "compound 17 [PMID: 11906291]" . "TCS-2510" . "E 5555" . "E5555" . "ER 172594-00" . "RO 5166017" . "RO-5166017" . "compound 30 [PMID:12009900]" . "SM 130686" . "Xiidra®" . "L-163,191" . "MK677" . "ibutamoren mesylate" . "MK 0751" . "L 692429" . "2,4-diaminopyrimidine-based antagonist, 14c" . "Interleukin-17F" . "cytokine CX2" . "interleukin-17C" . "interleukin-25" . "interleukin-17E" . "IL-17E" . "interleukin-1 receptor antagonist protein" . "compound 1g [PMID: 24900456]" . "IL-1ra" . "IRAP" . "DAR 0100A" . "DAR-0100A" . "DAR0100A" . "Compound 19 [PMID25738750]" . "Saizen®" . "AZ-191" . "CL-075" . "CL075" . "Example 1-14 [ WO2014063054]" . "RM-493" . "IL-1F5" . "BIM-22493" . "thyrocalcitonin" . "DL-2-mercaptomethyl-3-guanidinoethyl-thiopropanoic acid" . "MGTA" . "atrial natriuretic factor (ANF)" . "Adlyxin®" . "leuco-methylthioninium" . "IL-1F11" . "TRx0237" . "TRx-0237" . "ZPL-389" . "FIL1 epsilon" . "PF-03893787" . "PF 3893787" . "JNJ-38518168" . "FIL1 eta" . "interleukin-1 eta" . "IL-1 eta" . "VLY-686" . "LY-686017" . "LY686017" . "EMD-61753" . "interleukin-36 gamma" . "EMD 61753" . "EMD 61 753" . "interleukin-1 family member 9" . "VPD-737" . "compound 17 (Jiang et al. 2009)" . "ILV-094" . "AF 12198" . "GW 6471" . "GW 9662" . "RU 26988" . "RU 28318" . "ρ-TIA conotoxin" . "HB12" . "compound 47 [PMID: 27433829]" . "compound 1 [PMID: 2999404]" . "PF-04217329" . "CP544326" . "Chrysalin" . "FPP" . "K 12148" . "K12.148" . "L 659699" . "hymeglusin" . "interleukin 1 family member 5 (delta)" . "interleukin-1 epsilon (IL-1E)" . "IL-1-related protein 2 (IL-1RP2)" . "TAK925" . "(S,S)-21 [PMID: 27533032]" . "interleukin-1 epsilon (IL-1 epsilon)" . "(S,S)-1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea" . "CNTO-136" . "GSK-1521498" . "GSK 1521498" . "BAF312" . "BAF-312" . "compound 32 [PMID: 24900670]" . "ABT-414" . "TEV-48125" . "hP67.6-calicheamicin" . "GSK-2398852" . "GSK2398852" . "ABT-555" . "AE12-1Y-QL" . "fibroblast growth factor 23" . "KRN-23" . "KRN23" . "UX-023" . "UX023" . "AMG-334" . "LOXO-101" . "ASP8273" . "AQX-1125" . "INK-1117" . "chidamide" . "ABT-494" . "VBP15" . "N5KG1_C10_LH" . "AMG-139" . "MEDI2070" . "AMG 139" . "compound 1b [PMID: 21866885]" . "LMTX" . "LMTM" . "SHR-1314" . "ABT-981" . "E26.13-SS-X3" . "NI-0501" . "alpha-LTX-Lt1a" . "R95867" . "AGL-2043" . "JNK Inhibitor II" . "Met kinase Inhibitor" . "PKCbII/EGFR Inhibitor" . "ROCK Inhibitor, Y-27632" . "AMPK Inhibitor, Compound C" . "bisindolylmaleimide I" . "cFMS receptor tyrosine kinase inhibitor" . "IGF-1R inhibitor II" . "VEGF receptor 2 kinase inhibitor III" . "SU 5416" . "SU5416" . "KU55933" . "NSC154020" . "HA 1077" . "GDC-0994" . "ST50826373" . "morpholinurea-leucine-homophenylalaninevinyl phenyl sulfone" . "morpholinurea-leucine-homophenylalanine-vinylsulfone-phenyl" . "staurosporine aglycone" . "XL-184" . "BMS907351" . "MK‐7264" . "RAD001" . "compound 3 [PMID: 30258539]" . "AT-4140" . "AT4140" . "CI-978" . "CI978" . "rapamycin, 42-O-(2-hydroxyethyl)-" . "AP24534" . "BAY 73-4506" . "Zagam ®" . "CCI-779" . "MSI-1256F (squalamine lactate)" . "PLX4032" . "RG7204" . "7alpha-Hydroxy, 3beta-spermidine" . "P518" . "mouse homologue of P518" . "alpha-latrotoxin-Lt1a" . "alpha-latrotoxin" . "latrotoxin(N4C)" . "leucine-rich repeat transmembrane protein FLRT3" . "fibronectin-like domain-containing leucine-rich transmembrane protein 3" . "MRS 2957" . "PSB 0739" . "5-(N-Ethyl-N-isopropyl)amiloride" . "RAD-001" . "2q6b" . "AG-013736" . "PF-2341066" . "PF 2341066" . "PF2341066" . "ZD-6474" . "ZD6474" . "B28" . "bisphosphonate, 9" . "CP-70429" . "YH 529" . "ONO 5920" . "BPH 261" . "bisphosphonate, 51" . "bisphosphonate, 14" . "CP70429" . "bisphosphonate, 47" . "bisphosphonate, 11" . "NE-10575" . "pyrophosphoric acid" . "phosphonooxyphosphonic acid" . "tyrphostin AG 1024" . "tyrphostin A48" . "tyrphostin AG 112" . "tyrphostin AG-1296" . "tyrphostin AG490" . "tyrphostin B42" . "tyrphostin 1" . "tyrphostin A1" . "HMS3229A05" . "CP-70,429" . "R-95867" . "L-084" . "LJC 11,084" . "isozyme-selective, Akti-1/2" . "NCGC00167772-01" . "LJC-11,084" . "IN1538" . "RP106" . "LJC-11084" . "RP107" . "9-nitropaullone" . "Orapenem®" . "TBPM-PI" . "NSC-705701" . "TR-700" . "TR700" . "alsterpaullone derivative7" . "NG-97" . "Sivextro®" . "previously torezolid" . "Zactima" . "DA-7157" . "A-62254" . "tricyclic nucleoside (TCN)" . "XL184" . "Cometriq®" . "Iclusig®" . "Stivarga®" . "Zelboraf®" . "(-)-hypoglaucine A" . "A62254" . "Abbott 62254" . "Omniflox®" . "SQ-30213" . "SQ30213" . "SQ-30836 (tigemonam dicholate)" . "SQ30836 (tigemonam dicholate)" . "VX-853" . "VX853" . "CS-023" . "R-115685" . "R115685" . "CS023" . "RO-4908463" . "U-63,366F" . "U-63366F" . "KP484" . "U63366F" . "Vabomere (vaborbactam + meropenem)" . "RPX7009" . "RPX-7009" . "compound 9f [PMID: 25782055]" . "CGK733" . "quinazoline deriv. 1" . "2np8" . "indirubin deriv. 8a" . "AZD 1480" . "AZD-1480" . "(E)-3-tosylacrylonitrile" . "GNF 2" . "BIBF1120" . "R59949" . "arcyriarubin A" . "BIM IV" . "CK1 inhibitor" . "D 4476" . "TBCA" . "Clk inhibitor" . "Vargatef®" . "TG003" . "BIBF 1120" . "Go6976" . "pyrazolopyrimidone analog, RGB-286147" . "CGP-74514A" . "AC1OCFD4" . "CVT-313" . "NG 26" . "Example 130 [US20140194408]" . "NU6140" . "indolocarbazole deriv. 4(d)" . "K00024" . "NSC 625987" . "broussonpapyrine" . "cheleritrine" . "chelerythrine hydroxide" . "toddalin" . "RG-7845" . "PD153035 Analog 56" . "3-(4-dimethylaminobenzylidenyl)-2-indolinone" . "GDC0853" . "LY-293646" . "NU 7026" . "NU7026" . "GDC 0853" . "IC86621" . "AMA37" . "arylmorpholine analog 37" . "RG 7845" . "Chir 258" . "CHIR-258" . "TKI-258" . "HDS 029" . "FR180204" . "HMS3229G08" . "IN1479" . "Go-6976" . "Goe 6976" . "6-bromoindirubin-3-oxime" . "BRW" . "indirubin deriv. 7a" . "K00244" . "TDZD-8" . "GSK-3b inhibitor II" . "AR-A014418" . "GSK-3b inhibitor VIII" . "GSK inhibitor XII" . "TWS-119" . "GSK-3b inhibitor XI" . "H 89" . "TPCA1" . "TPCA-1" . "indirubin E804" . "indirubin-3'-oxime" . "IZA" . "pyridone 6" . "WHI-P154" . "E2006" . "compound 34 [PMID: 25953512]" . "compound 24 [PMID: 25147058]" . "TCS-1102" . "compound 24 [PMID: 25248679]" . "MIN-202" . "E-2006" . "JNJ 10397049" . "JNJ-922" . "RO-4917523" . "Ro4917523" . "RG-7090" . "compound 3 [PMID: 25565255]" . "compound 2 [PMID: 25565255]" . "BMS-986015" . "IPH2102" . "1-7F9" . "BMS-663513" . "BMS 663513" . "(-)-CM-TPMF" . "(-)-B-TPMF" . "FTY720" . "MT-1303" . "MT1303" . "MT 1303" . "Example 1 [US20090137530]" . "ACT-128800" . "ACT128800" . "ACT 128800" . "Compound 8bo [PMID:20446681]" . "(10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-4,8-methenopyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile" . "AR-11324" . "AR 11324" . "AR11324" . "ester 60 [PMID: 27072905]" . "CK2 Inhibitor II" . "2-Dimethylamino-4,5,6,7-tetrabromo-1H-benzimidazole" . "AZ13189620" . "LAS-100977" . "RDEA3170" . "RDEA-3170" . "Exondys 51®" . "TAK 715" . "TAK 637" . "TAK637" . "compound (aR,9R)-8b [PMID: 10508446]" . "CDP 840" . "CDP-840" . "APD334" . "APD-334" . "compound 4 [PMID: 25516790]" . "APD334-003" . "EZ-005" . "JQ5" . "EZ005" . "JQE5" . "(2S)-6" . "CS-1008" . "Rhopressa®" . "AC1LG8KT" . "BAS 01816608" . "TCS JNK 5a" . "AS601245" . "AS-601245" . "SAPK inhibitor V" . "SKF 86002" . "aminopyridine deriv. 2" . "N1-Methyl-1,9-pyrazoloanthrone" . "SF 1101" . "SL327" . "CMPD1" . "MAPKAPK2a inhibitor" . "CGP 57380" . "SL-327" . "TAK 165" . "TAK165" . "AG-F-89549" . "NSC686549" . "CGP-57380" . "ML3403" . "ML-3403" . "ST50021380" . "ST097539" . "AC1L1IRV" . "compound 8h [PMID: 16162000]" . "PD158780" . "PD-158780" . "PD-169316" . "4-aminoquinazoline, 2a" . "humanized LM1 TRA-8" . "PD-174265" . "bis(1H-2-indolyl)methanone deriv. 52" . "D-65476" . "AF219" . "JNJ-10198409" . "MK7264" . "TAK632" . "Ki 11502" . "PDGF Receptor Tyrosine Kinase Inhibitor V" . "AG-L-66494" . "GNF-Pf-3800" . "compound 8B [PMID: 23906342]" . "AS 605240" . "AS-605240" . "AS 604850" . "PI 3-Kgamma inhibitor II" . "PI3Kgamma inhibitor" . "K00248" . "AC1O5VPR" . "ASN 11124542" . "Zynquista®" . "JMS 17-2" . "RNA-dependent protein kinase inhibitor, negative control" . "NPC-1161B" . "Piqray®" . "AC1NP9I6" . "mutant kinases inhibitor II" . "NM-PP1" . "SBB028425" . "AC1L1JD0" . "IN1131" . "USL261 (nasal spray formulation)" . "L-745,870" . "Nayzilam®" . "Slynd®" . "rockout" . "glycyl-H 1152" . "Ro 32-0432" . "(R)-roscovitine" . "CYC202" . "CYC-202" . "polatuzumab vedotin-piiq" . "R-roscovitine" . "Polivy®" . "RA101495" . "AG-J-84442" . "3erk" . "SB220025" . "SB-220025" . "SK&F 86002" . "SKI 2" . "MMV892646" . "WR 228,258" . "Ec2la" . "BAY8002" . "BAY 8002" . "566C80" . "Wellvone®" . "SJ733" . "SAR97276" . "PT-141" . "PT141" . "T3" . "Vyleesi®" . "compound 12 [PMID: 30380863]" . "KZR616" . "RSLV132" . "Lorviqua®" . "AZD-2624" . "PA92" . "N-tert-Butyl isoquine" . "GSK-369796" . "GSK 369796" . "CDRI-80/53" . "elubaquine" . "compound 6 [PMID: 23409871]" . "GSK-2239633A" . "compound 3 [PMID: 31265286]" . "Example 1 [WO2014043446A1]" . "GSK2983559" . "ESN364" . "compound 5 [PMID: 31265286]" . "NLG-919" . "compound 18 [PMID: 31250638]" . "Example 319 [WO2014143799]" . "Xpovio®" . "compound 3 [PMID:26191358]" . "K-115 (ripasudil hydrochloride dihydrate)" . "Glanatec®" . "K115" . "Chiesi Rock inhibitor" . "OMDM-1" . "example 3 [WO2010032875A2]" . "Katerzia® (amlodipine oral suspension, 1 mg/mL)" . "qinghaosu" . "example 112 [WO2009071476]" . "RG-1662" . "RG1662" . "E52862" . "sigma 1 receptor antagonist (S1RA)" . "MR309" . "compound 28 [PMID: 22784008]" . "compound 11 [PMID: 31318208}" . "Tyk2-IN-4" . "Ro 42-1611" . "SKI II" . "SU11652" . "SU-11652" . "SU-6656" . "AC1NRD9P" . "YM254890" . "SU-9516" . "Compound 6412 from US9096541" . "K00564a" . "spleen tyrosine kinase inhibitor" . "HM61713" . "BI-1482694" . "NSC 10120" . "NSC 105303" . "NSC 170724" . "SBB007833" . "BI1482694" . "HM-61713" . "SB505124" . "SB-505124" . "4-(4-(1-(2,4-dichlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)-1 H-pyrazol-5- yl)phenyl)but-3-ynyl nitrate" . "compound 10 [WO2010104488]" . "LY 364947" . "LY-364947" . "Example 2 [WO2010104488]" . "addressin" . "TbetaR-I inhibitor" . "SHP647" . "Lartruvo®" . "indolin-2-one deriv. 4b" . "KDR/Flk-1 kinase inhibitor IV" . "pyrazolo[1,5-a]pyrimidine 3g" . "AG-E-85378" . "K00589a" . "KRN 633" . "KRN633" . "KRN-633" . "PF-547659" . "SHP 647" . "PF 547659" . "AV-951" . "KRN-951" . "PF 00547659" . "I14-1965" . "MAdCAM1" . "PXS4728A" . "VX 702" . "VX702" . "KY 12420" . "JPH-203" . "NE-58018" . "YM-175" . "KYT 0353" . "SU11248" . "KYT0353" . "BAY 43-9006" . "COMPOUND-JP [US20160279103]" . "INC424" . "tasocitinib" . "TRV130" . "SK-606" . "Tie2 kinase inhibitor" . "XL-147" . "farnesyl thiopyrophosphate" . "AC1NV8HB" . "bisphosphonate, 16" . "2r4f" . "RG 12561" . "squalestatin" . "squalestatin 1" . "L-694599" . "L 694599" . "PIK93" . "PIK 93" . "BRL-43694" . "BRL 43694" . "[3H]-BRL-43694" . "VUF 6002" . "JNJ 10191584" . "bis(methylthio)gliotoxin" . "FR 49175" . "AC1L4YI4" . "dimethylgliotoxin" . "TCS OX2 29" . "MLN518" . "MLN-518" . "ICI 192,605" . "ARQ197" . "S18886" . "VX-680" . "triplion" . "Jakafi®" . "VX680" . "Myosin Light Chain Kinase Inhibitor Peptide 18" . "SAR-405" . "SAR 405" . "compound 26 [PMID: 25341110]" . "Votrient®" . "Jakavi®" . "Xeljanz®" . "Caprelsa®" . "antibiotic SL-2052" . "compound 15 [PMID: 17201405]" . "compound 115 [US20070293533]" . "3-Amino-4-(1,1-difluoro- propyl)-6-(4-methanesulfonyl- piperidin-1-yl)-thieno[2,3- b]pyridine-2-carboxylic acid amide" . "FMK (covalent)" . "CP-466722" . "CP 466722" . "Torin1" . "KU0063794" . "KU-63794" . "Ku 0063794" . "Ku63794" . "WYE 354" . "WYE354" . "AZD 7545" . "AZD-7545" . "compound 10 (Husbands and Lewis, 1995)" . "Scios-15b" . "SMP 114" . "SMP-114" . "SCH900776" . "CHIR124" . "CHIR 124" . "compound 11 [PMID: 6603354]" . "compound 7 [PMID: 25589925]" . "HTH01-015" . "CX6258" . "CX 6258" . "compound 13 [PMID: 24900437]" . "kb NB 142-70" . "bipyridyl PKD inhibitor" . "casein kinase I inhibitor" . "Example 93 [US8778951]" . "Compound 310 [US8778951]" . "A-68930" . "A-70108" . "A70108" . "A 68930" . "A 70108" . "A70360" . "A 70360" . "A-70360" . "PCA-4248" . "rohdeilitorin" . "compound A [PMID:15866883]" . "TUDCA" . "TBB" . "cholylglycine" . "eicosapentaenoic acid" . "icosapentaenoic acid" . "MK-4305" . "MK 4305" . "GSK-1331258" . "VEGFR tyrosine kinase inhibitor IV" . "Merck SIP agonist" . "WEB2170" . "WEB-2170" . "CV 3988" . "PTEMC" . "ESN-364" . "MK-217" . "trans-squalene" . "A-779" . "AR-M961" . "AR-M1717" . "GWTLNSAGYLLGPK(ε-NH-C(O)X)-amide" . "WTLNSAGYLLGPK(ε-NH-C(O)X)-amide" . "RGRGNWTLNSAGYLLGPK(ε-NH-C(O)X)-amide" . "NAX 5055" . "[Sar1, D-Ala12]Gal(1-16)" . "n-decyl phosphoric acid" . "lauryl phosphate" . "L-364718" . "HT 2157" . "HT-2157" . "AR-M1896" . "preprogalanin 108-123 amide" . "preprogalanin 65-105 amide" . "galanin message associated peptide fragment 1-41 amide, porcine" . "galanin message associated peptide fragment 44-59 amide" . "(D-THR6,D-TRP8,9,L-ALANINOL15)-GALANIN (1-15)" . "HL 725" . "NXL101" . "AVE4221" . "AVE-4221" . "TNFSF7" . "SB16622" . "TNFSF11" . "GX15-070" . "obatoclax mesylate" . "GX-15-070" . "Procoxacin®" . "Coxistac®" . "ectodysplasin-A isoform 1" . "Arbidol®" . "membrane isoform of ectodysplasin-A" . "ectodysplasin-A, membrane form" . "secreted form of ectodysplasin-A" . "ectodysplasin-A, secreted form" . "AR-1I9514" . "AR-C67085MX" . "[3H]AR-C67085" . "[3H]AR-C67085MX" . "AG-1343" . "AG1343" . "Viracept®" . "Delta(9)-tetrahydrocannabinolic acid" . "Δ9-tetrahydrocannabinolic acid" . "9-Carboxy-THC" . "THCA" . "CBDV" . "interleukin-23" . "IL-12B monomer" . "interleukin-27 subunit alpha" . "IL-27 subunit alpha" . "GWP42006" . "CBC" . "p28" . "(+/-)-Cannabichromene" . "interleukin-27 subunit beta" . "IL-27 subunit beta" . "IL-27B" . "Epstein-Barr virus-induced gene 3 protein" . "EBV-induced gene 3 protein" . "Canasa" . "interferon-λ2" . "cannabichrome" . "CBG" . "interferon-λ1" . "SC 41930" . "CGS 24115" . "Biomed 101" . "ONO 4057" . "ONO-LB 457" . "Ro 5101576" . "CP195543" . "NMB30" . "5-oxo-(6E,8Z)-octadecadienoic acid" . "5-oxo-15-hydroxy-(6E,8Z,11Z,13E)-eicosatetraenoic acid" . "interleukin-1-related protein (IL1RP)" . "interleukin-1ζ" . "IL-1ζ" . "Fintepla®" . "ZX008" . "ARRY-797" . "ARRY797" . "ARRY371797" . "compound 7 [PMID: 19950901]" . "compound 61 [WO2014015056A2]" . "Mycapssa®" . "Hyleukin-7" . "Il-7 hybrid Fc" . "rhIL-7-hyFc" . "NT-I7" . "GX-I7" . "TJ-107" . "IRL-752" . "IRL 752" . "ent-60" . "Corectim®" . "Byfavo®" . "CNS7056" . "Fetcroja®" . "Nilemdo®" . "Staquis®" . "Tavlesse®" . "BMS-663068" . "BMS663068" . "[Phe8]-phyllolitorin" . "5S-HpETE" . "5-oxo-20-hydroxy-6E, 8Z,11Z, 14Z-eicosatetraenoic acid" . "5-oxo-12S-hydroxy-6E,8Z,10E,14Z-eicosatetraenoic acid" . "Gue 1654" . "GRP(14-27)" . "BAM (8-22)" . "RC-3095" . "somatostatin 1-28" . "D-Tpi-Gln-Trp-Ala-Val-Gly-His-Leu-Y(CH2-NH)-Leu-NH2 trifluoroacetate salt" . "cyclo(1-6)CRPRLC-KH-cyclo(9-14)CRPRLC" . "AK120413" . "CysLT2cpd" . "BAY u9773" . "N-methyl-leukotriene C4" . "annexin-derived peptide" . "ANXA1-derived peptide" . "[125I]ANXA1-derived peptide" . "N4-(phenylethoxy)-CTP" . "iso-CMP" . "α,β-methylene-UDP" . "MNI 135" . "MNI 137" . "ML289" . "Ro 4491533" . "VU 0092145" . "AT-Resolvin D1" . "AT-RvD1" . "compound 13g [PMID: 21417463]" . "CKβ8-1 (46-137)" . "formyl humanin" . "CP-376395" . "GSK 1331258" . "GSK 1331268" . "GSK-1331268" . "cytidine, cyclic 3',5'-(hydrogen phosphate)" . "cyclic CMP" . "FLIPr" . "FUT-175" . "compound 34 [PMID:21528910]" . "uPAR(88-274)" . "iodoacetamide" . "methylparaben" . "nipagin" . "4-hydroxy-2-nonenal" . "HNE" . "acetic aldehyde" . "ethanal" . "ethyl aldehyde" . "NSC 7594" . "12S-HHTrE" . "sodium sulfide" . "sodium hydrosulfide" . "sodium mercaptan" . "sodium sulfhydrate" . "medullin" . "PGA2" . "Glu1-apelin-13" . "S-farnesylthiosalicylic acid" . "4-oxo-2E-nonenal" . "compound 15 [PMID:21528910]" . "compound 43 [PMID:16697190]" . "compound 43 [PMID:23160941]" . "mace (lacrimator)" . "tear gas" . "phenacyl chloride" . "chloromethyl phenyl ketone" . "2-chlorobenzylidene malononitrile" . "Up4 -[1]3'-deoxy-3'-fluoroglucose" . "D2D388-274" . "alonitrile" . "Casein Kinase II Inhibitor I" . "iso-velleral" . "(+)-isovelleral" . "2-butenal" . "VX-11e" . "crotonal" . "trans-crotonaldehyde" . "ammonium chloride" . "isocyanatomethane" . "methyl carbonimide" . "isocyanic acid" . "11e [PMID: 19827834]" . "HMDI" . "HDI" . "trichloronitromethane" . "nitrotrichloromethane" . "BIRB-796" . "(D-Tpi6, Leu13ψ(CH2-NH)-Leu14)bombesin (6-14)" . "CS gas (lacrimator)" . "Januvia®" . "BIRB796" . "BIRB 796" . "NVP-BKM120" . "IC87114" . "IC 87114" . "JNK-9L" . "VPS34-IN1" . "example 16a [US8685993]" . "BIX 02189" . "BIX-02189" . "TC ASK 10" . "PF-562,271" . "PF-00562271" . "PF-562,271-26" . "TAE 226" . "TAE226" . "NVP-TAE226" . "OSI930" . "OSI 930" . "compound 1 [PMID: 18763755]" . "compound 3 [PMID: 16134929]" . "BMS536924" . "BMS 536924" . "CEP33779" . "CEP 33779" . "compound 29 [PMID: 22594690]" . "compound 20 [PMID: 21903390]" . "SB-590885" . "SB 590885" . "CSG452" . "compound 33 [PMID: 16260133]" . "AC-430" . "AC 430" . "GLPG-0634" . "PRT062607" . "PRT-062607" . "TX-85-1" . "(5Z)-7-Oxozeaenol" . "martonite" . "monobromoacetone" . "acetonyl bromide" . "di-n-butyl phthalate" . "n-butyl phthalate" . "nutyl phthalate" . "MK-0431" . "9-nitrooleate" . "ozone" . "triatomic oxygen" . "N-acetyl-p-benzo-quinoneimine" . "napqi" . "rhodinal" . "3,7-dimethyl-6-octenal" . "adenosine phosphate" . "pyruvaldehyde" . "acetylformaldehyde" . "Ridaura®" . "(±)5,6-epoxy-8Z,11Z,14Z-eicosatrienoic acid" . "(±)5,6-EpETrE" . "ridauran" . "p-benzoquinone" . "(-)-oleocanthal" . "C4" . "C3" . "C1" . "BMS-477118" . "JNJ 42153605" . "BI-1356" . "SQ-14225" . "Ro4988546" . "SB-252218" . "geranialdehyde" . "citral a" . "trans-citral" . "[3H]-PAM" . "VU71" . "arachidonyl cyclopropylamide" . "AC1MMT9E" . "2'-O-acetyl-ADP-ribose" . "JNJ-16259685" . "R 214127" . "HOE-498" . "JNJ-17203212" . "CL-928" . "sphingosyl phosphorylcholine" . "S-9490" . "S-9780" . "Rizaben" . "NF-340" . "H 376-95" . "H-319-68" . "Trocade" . "BAY 59-7939" . "BMS-562247" . "compound 1ac [PMID: 16279797]" . "PS-341" . "A841720" . "LSN 2463359" . "ADX47273" . "ADX 47273" . "VU 0357121" . "VU 29" . "vanilla" . "isoborneol" . "(+)-borneol" . "neodihydrocarveol" . "L-carveol" . "Δ9-tetrahydrocannabivarin" . "VU 0092273" . "VU 0364289" . "ONO-3403" . "SP 203" . "GSK-2210875" . "ADX48621" . "LY544349" . "ONO-5046" . "compound 1n [PMID: 16279797]" . "SQ-28555" . "SQ-27519" . "Kelp" . "Ro 31-2848006" . "Ro 31-3113" . "SQ-26900" . "compound 28b [PMID: 16279797]" . "BMY-28689" . "VX-740" . "BAY 12-9566" . "CR gas" . "compound 14a [PMID: 19233648]" . "INCB-039110" . "compound 56b [PMID: 6492077]" . "HC-030031" . "Xromi®" . "Trecondi®" . "AR-C118925" . "BIBR 1048" . "Angiomax®" . "1-L-leucine-2-L-threonine-63-desulfohirudin" . "Hirulog-1" . "CI-906" . "Sixmo® (buprenorphine hydrochloride)" . "geranial" . "Eliquis®" . "Xarelto®" . "Waylivra®" . "Ondexxya®" . "T1AM" . "ODM-201" . "ODM201" . "BAY-1841788)" . "BAY1841788" . "example 56 [US9657003]" . "Nubeqa®" . "Turalio®" . "12-Phenylacetyl-ricinoleoyl-vanillamide" . "compound 1e [PMID: 15356216]" . "GPR68 α-PAM 71" . "compound 71 [PMID: 31298539]" . "Example 59 [WO2018121550]" . "compound 54 [PMID: 31246024]" . "compound 57 [PMID: 30199637]" . "BMS-180048" . "BMS-180,048" . "BMS180048" . "Almogran®" . "compound 7i [PMID: 26519929]" . "MMV-08138" . "Rozlytrek®" . "Rinvoq®" . "Inrebic®" . "BPN-14770" . "BPN 14770" . "compound 28 [PMID: 31013090]" . "JNJ-67953964" . "KW-0761" . "Abegrin®" . "C-X-C motif chemokine 17" . "dendritic cell and monocyte chemokine-like protein" . "GRI-977143" . "NGC21" . "TMI-05" . "TUG770" . "TAK875" . "TAK 875" . "AMG 837" . "BMS-708163" . "TUG 891" . "TUG891" . "C14:0" . "UK-69578" . "GSK2118436A" . "GSK2118436" . "GSK1120212" . "GSK1120212B" . "JTP 74057" . "A-804598" . "A 804598" . "AZ 11645373" . "MRS2219" . "WX-671" . "UKI-1" . "aladotril" . "BP-1137" . "pregnenolone sulfate" . "[3H]dehydroepiandrosterone sulfate" . "ε-aminocaproic acid" . "estrone-3-sulfate" . "estrone hydrogen sulphate" . "[3H]-pregnenolone sulfate" . "epipregnanolone sulfate" . "[3H]estrone-3-sulfate" . "caprylic acid" . "C8:0" . "ZK30595" . "dihydrospirorenone" . "AG-3340" . "SLV-306" . "PF-03491390" . "DPC-333" . "compound 7 [PMID: 20180624]" . "Up4dC" . "3,3',5-triiodothyroacetic acid" . "5-bromouridine triphosphate" . "bromouridine 5'-triphosphate" . "5-bromo-UTP" . "[Dat1,Gln8,Orn12,21,Abu15,Nle27Asp28,Agm29]hGH-RH-(1-29)" . "HMG-CoA" . "PG 106" . "PG106" . "C3 and PZP-like alpha-2-macroglobulin domain-containing protein 2" . "(S)-2,3-epoxysqualene" . "squalene 2,3-epoxide" . "NS2028" . "HJC0350" . "RS 25344" . "UK 369003" . "UK-369003" . "SCH 442416" . "SCH-442,416" . "W 1400" . "Z 360" . "RS-10085" . "RS-10029" . "compound 13j [PMID: 15149680]" . "SCH-33844" . "SCH-33861" . "norbinaltorphimine" . "2-phenylethynylNECA" . "compound 15 [PMID: 22591441]" . "7E3 antibody" . "antiGPIIBIIIa" . "C7E3" . "GR 144053 trihydrochloride" . "GNE0877" . "compound 11 [PMID: 24354345]" . "cyclic Arg-Gly-Asp-containing pentapeptide" . "L-cysteine, N-(mercaptoacetyl)-D-tyrosyl-L-arginylglycyl-L-alpha- aspartyl-cyclic(1-->5)-sulfide, 5-oxide" . "cyclic RGD" . "BIO-1211" . "BIO 1211" . "TCS-2314" . "TCS 2314" . "anti alphaL integrin" . "antiCD11 alpha" . "hu1124" . "etaratuzumab" . "MEDI-522" . "Trasylol®" . "Giotrif" . "Tomtovok" . "Tovok" . "Tafinlar®" . "Integrelin®" . "Mekinist®" . "Intrifiban" . "Gilotrif®" . "ASP-1941" . "anti-alpha4 integrin" . "anti-VLA4" . "Raptiva®" . "ASP1941" . "ASP 1941" . "Suglat®" . "CSG 452" . "CSG-452" . "compound 16d [PMID: 22889351]" . "Apleway®" . "Deberza®" . "LRRK2IN1" . "LRRK2-IN1" . "SNS 314" . "SNS314" . "compound 21 [PMID: 18678489]" . "PHA408" . "PHA- 408" . "NMS P715" . "NMSP715" . "compound 15 [PMID: 21723120]" . "compound 12c [PMID: 22070629]" . "compound 7 [PMID: 22172702]" . "RO3280" . "ERK5-IN-1" . "compound 26 [PMID: 24239623]" . "Mesupron" . "chlorgyline" . "succinate semialdehyde" . "5-hydroxyindole-3-acetaldehyde" . "5-hydroxyindolylacetaldehyde" . "HBNF" . "GBP" . "LRIG4" . "PANG" . "BIG-1" . "BIG-2" . "hNB-2" . "NB-2" . "NB-3" . "neural adhesion molecule" . "4-hydroxyphenylpyruvate" . "L3 antigen" . "Mac-2-binding protein" . "MAC-2-BP" . "Pyrazidol ®" . "galectin 3" . "LGALS2" . "GALIG" . "MAC-2" . "D-erythrosphingosine" . "ABC-294640" . "ABC 294640" . "palmitaldehyde" . "2-ammonioethyl phosphate" . "O-phosphonatoethanaminium" . "3,4-dihydroxy-L-phenylalanine" . "SYN117" . "RS-25560-197" . "S-adenosylmethionine" . "SAM-e" . "SAMe" . "AdoMet" . "sphingosine kinase 1 Inhibitor II" . "DOPAL" . "DOMA" . "lifril" . "2-acetyl-5-tetrahydroxybutyl imidazole" . "MD370503" . "p-hydroxyphenylacetaldehyde" . "3-methoxy-4-hydroxyphenethylamine" . "metadrenaline" . "Ro 40-7592" . "OR-611" . "3,3'-diiodothyronine" . "(R)-FTY720-OMe" . "compound 13 [PMID: 27739677]" . "T2" . "reverse triiodothyronine" . "3,5-diiodotyrosine" . "CZC24832" . "ketodihydrosphingosine" . "3-dehydrosphinganine" . "3-ketodihydrosphingosine" . "3-dehydro-D-sphinganine" . "Argamine" . "Argivene" . "Detoxargin" . "Levargin" . "Minophagen A" . "R-Gene 10" . "Gerontine" . "Musculamine" . "Laridal" . "Neuridine" . "OKG" . "Cebrogen" . "Earthlink Science Glutamine Chews Chocolate" . "Glavamin" . "Glutamine Express" . "Glutamine Fuel Mega" . "Glutamine Fuel Powder" . "L-Glutamine Power" . "Saforis" . "Stimulina" . "Aciglut" . "Glusate" . "Glutacid" . "Glutamicol" . "Glutamidex" . "Glutaminol" . "Glutaton" . "Aciport" . "Glicoamin" . "Glycocoll" . "Glycolixir" . "Glycosthene" . "Gyn-Hydralin" . "Padil" . "Alti-Tryptophan" . "Lyphan" . "Alert-Pep" . "Cafamil" . "Cafcit" . "Cafecon" . "Caffedrine" . "Caffine" . "JNJ67953964" . "Coffein" . "CERC-501" . "Dasin" . "Dexitac" . "DHC Plus" . "Diurex" . "Durvitan" . "Eldiatric C" . "Enerjets" . "Ercatab" . "Fioricet" . "Guaranine" . "Hycomine" . "Keep Alert" . "Kofein" . "CERC501" . "NXL-101" . "Miudol" . "Nix Nap" . "No-Doz" . "Nodaca" . "Selegene®" . "Ena 713 free base" . "Deprenyl" . "L-deprenalin" . "compound 1 [PMID: 23968485]" . "neurite growth-promoting factor 1 (NEGF-1)" . "heparin binding growth factor 8 (HBGF-8)" . "Aricept®" . "DW-224a" . "WCK-5107" . "WCK 5107" . "WCK5107" . "AZD-0914" . "AZD0914" . "EXT0914" . "EXT-0914" . "Dalvance®" . "Xydalba®" . "BI-397" . "Norgesic Forte" . "Organex" . "Pep-Back" . "Phensal" . "Quick Pep" . "Refresh'n" . "Stim" . "Theine" . "Vivarin" . "Wake-Up" . "Wigraine" . "Asacol" . "Asacolitin" . "Claversal" . "Fisalamine" . "Lixacol" . "Mesasal" . "Rowasa" . "Salofalk" . "Geodon Oral" . "Desernyl" . "Dostinex" . "Aleviatin" . "Antisacer" . "Auranile" . "Causoin" . "Citrullamon" . "Citrulliamon" . "Comital" . "Comitoina" . "Convul" . "Danten" . "Dantinal" . "Dantoinal" . "Dantoinal klinos" . "Dantoine" . "Denyl" . "Di-Hydan" . "Di-Lan" . "Di-Phetine" . "Didan TDC 250" . "Difenilhidantoina" . "Difenin" . "Difetoin" . "Difhydan" . "Dihycon" . "Dilabid" . "Dilantin acid" . "Dilantin-125" . "Dilantine" . "Dillantin" . "Dintoin" . "Dintoina" . "Diphantoin" . "Diphedal" . "Diphedan" . "Diphenat" . "Diphenin" . "Diphenine" . "Diphentoin" . "Diphentyn" . "Diphenylan" . "Ditoinate" . "Ekko" . "Elepsindon" . "Enkelfel" . "Epamin" . "Epasmir 5" . "Epdantoin Simple" . "Epdantoine simple" . "Epelin" . "Epifenyl" . "Epihydan" . "Epilan" . "Epilan D" . "Epilan-D" . "Epilantin" . "Epinat" . "Epised" . "Eptal" . "Eptoin" . "Fenantoin" . "Fenidantoin s" . "Fentoin" . "Fenylepsin" . "Fenytoin Dak" . "Fenytoine" . "Gerot-epilan-D" . "Hidan" . "Hidantal" . "Hidantilo" . "Hidantina" . "Hidantina senosian" . "Hidantina vitoria" . "Hidantomin" . "Hindatal" . "Hydantal" . "Hydantin" . "Hydantoin" . "Hydantoinal" . "Hydantol" . "Ictalis simple" . "Idantoil" . "Idantoin" . "Iphenylhydantoin" . "Kessodanten" . "Labopal" . "Lehydan" . "Lepitoin" . "Lepsin" . "Mesantoin" . "Minetoin" . "Neos-Hidantoina" . "Neosidantoina" . "Novantoina" . "Novophenytoin" . "Om hidantoina simple" . "Om-Hydantoine" . "Oxylan" . "Phanantin" . "Phanatine" . "Phenatine" . "Phenatoine" . "Phenhydan" . "Phenhydanin" . "Phenitoin" . "Phentoin" . "Phentytoin" . "Phenytoin AWD" . "Phenytoin-Gerot" . "Prompt Phenytoin Sodium" . "Ritmenal" . "Saceril" . "Sanepil" . "Silantin" . "Sinergina" . "Sodanthon" . "Thein" . "Desernil" . "Deseryl" . "Zeldox" . "Cabaser®" . "Tikosyn®" . "Pentasa®" . "Dilantin®" . "Phenytex®" . "Epanutin®" . "Geodon®" . "Sodantoin" . "Sodanton" . "Solantin" . "Solantoin" . "Solantyl" . "Sylantoic" . "Tacosal" . "Thilophenyl" . "TOIN" . "Toin unicelles" . "Zentronal" . "Zentropil" . "Canesten 1-Day Cream Combi-Pak" . "Canesten 1-Day Therapy" . "Canesten 3-Day Therapy" . "Canesten 6-Day Therapy" . "Canesten Combi-Pak 1-Day Therapy" . "Canesten Combi-Pak 3-Day Therapy" . "Canesten Cream" . "Canesten Solution" . "Canestine" . "Canifug" . "Cimitidine" . "Clotrimaderm" . "Empecid" . "FemCare" . "Gyne lotrimin" . "Gyne-lotrimin" . "Gyne-Lotrimin 3" . "Gyne-Lotrimin 3 Combination Pack" . "Gyne-Lotrimin Combination Pack" . "Gynix" . "Lotrimin Af" . "Lotrimin AF Cream" . "Lotrimin AF Jock-Itch Cream" . "Lotrimin AF Lotion" . "Lotrimin AF Solution" . "Lotrimin Cream" . "Lotrimin Lotion" . "Lotrimin Solution" . "Mono-baycuten" . "Mycelax" . "Mycelex" . "Mycelex 7" . "Mycelex Cream" . "Mycelex G" . "Mycelex Solution" . "Mycelex Troches" . "Mycelex Twin Pack" . "Mycelex-7" . "Mycelex-7 Combination Pack" . "Mycelex-G" . "Myclo Cream" . "Myclo Solution" . "Myclo Spray Solution" . "Myclo-Gyne" . "Mycosporin" . "Mykosporin" . "Neo-Zol Cream" . "Trimysten" . "Trivagizole 3" . "Accurbron" . "Acet-Theocin" . "Aerobin" . "Aerolate" . "Aerolate III" . "Aerolate SR" . "Afonilm" . "Afonilum" . "Aquaphyllin" . "Armophylline" . "Asbron" . "Asmalix" . "Asmax" . "Austyn" . "Bilordyl" . "Bronchoretard" . "Bronkodyl" . "Bronkodyl SR" . "Cetraphylline" . "Choledyl SA" . "Chronophyllin" . "Constant T" . "Diffumal" . "Diphyllin" . "ABBV-075" . "Duraphyl" . "Duraphyllin" . "Dyspne-Inhal" . "Egifilin" . "Elan" . "Elixex" . "Elixicon" . "Elixomin" . "ABBV075" . "Elixophyllin SR" . "Etheophyl" . "Euphyllin" . "Euphylline" . "Euphylong" . "Labid" . "Lasma" . "Liquorice" . "Optiphyllin" . "Physpan" . "Pro-Vent" . "Pulmidur" . "Pulmo-Timelets" . "Quibron" . "Quibron T" . "Quibron T/SR" . "Quibron-T" . "Quibron-T/SR" . "Respbid" . "Respicur" . "Respid" . "Slo-Phyllin" . "Solosin" . "Somophyllin CRT" . "Somophyllin T" . "Somophyllin-CRT" . "Somophyllin-DF" . "Somophyllin-T" . "Spophyllin Retard" . "Sustaire" . "Synophylate" . "Synophylate-L.A. Cenules" . "T-Phyl" . "Talotren" . "Tefamin" . "Telb-DS" . "Telbans Dry Syrup" . "Teocen 200" . "Lanophyllin" . "Maphylline" . "Parkophyllin" . "Medaphyllin" . "Canesten®" . "Lotrimin®" . "Slo-Bid®" . "Nuelin®" . "Teofilina" . "Teofyllamin" . "Teolair" . "Teonova" . "Teosona" . "Tesona" . "Theacitin" . "Theal Tablets" . "Theo 24" . "Theo-11" . "Theo-24" . "Theo-DS" . "Theo-Dur" . "Theo-Nite" . "Theo-Sav" . "Theobid" . "Theobid Duracap" . "Theobid Jr." . "Theochron" . "Theocin" . "Theoclair-SR" . "Theoclear" . "Theoclear 80" . "Theoclear L.A.-130" . "Theoclear LA" . "Theoclear-200" . "Theoclear-80" . "Theocontin" . "Theodel" . "Theodrip" . "Theodur Dry Syrup" . "Theofol" . "Theograd" . "Theolair-SR" . "Theolix" . "Theolixir" . "Theona P" . "Theopek" . "Theophyl" . "Theophyl-225" . "Theophyl-SR" . "Theophylline-SR" . "Theoplus" . "Theospan" . "Theostat" . "Theostat 80" . "Theotard" . "Theovent" . "Uni-Dur" . "Unifyl" . "Unilong" . "Uniphyl" . "Uniphyllin" . "Xanthium" . "Xantivent" . "Tertroxin" . "Tresitope" . "Triostat" . "After Burn Double Strength Gel" . "After Burn Double Strength Spray" . "After Burn Gel" . "After Burn Spray" . "Alphacaine" . "Anestacon Jelly" . "Cappicaine" . "Dalcaine" . "DermaFlex" . "Duncaine" . "CYM-53093" . "Isicaina" . "Lanabiotic" . "CYM53093" . "Lidoderm" . "Lidoject-1" . "Lidoject-2" . "Norwood Sunburn Spray" . "Octocaine" . "Octocaine-100" . "Octocaine-50" . "Rocephin Kit" . "Solarcaine" . "Solarcaine aloe extra burn relief cream" . "Solcain" . "Xylocaine 5% Spinal" . "Xylocaine Dental Ointment" . "Xylocaine Endotracheal" . "Xylocaine Test Dose" . "Xylocaine Viscous" . "Xylocaine-MPF" . "Xylocaine-MPF with Glucose" . "Xylocard" . "Zilactin-L" . "Zingo" . "Adepress" . "Adepril" . "Amitid" . "Amitril" . "Damilan" . "Damilen" . "Elanil" . "BTRX335140" . "Horizon" . "RO6870810" . "Laroxil" . "Laroxyl" . "Lentizol" . "Proheptadiene" . "Redomex" . "Sarotex" . "Sylvemid" . "Triptanol" . "Triptilin" . "Triptisol" . "Tryptanol" . "Tryptizol" . "Amuno" . "Apo-Indomethacin" . "Arthrexin" . "Artracin" . "Artrinovo" . "Artrivia" . "Bonidin" . "Bonidon" . "Bonidon Gel" . "Catlep" . "Chibro-Amuno" . "Chrono-Indicid" . "Chrono-Indocid" . "Confortid" . "Dolcidium" . "Dolcidium Pl" . "Dolovin" . "Durametacin" . "Elmetacin" . "Flexin Continus" . "Hicin" . "Idomethine" . "Saroten" . "Anestacon" . "Maricaine" . "Lignocaine" . "Cytomel®" . "Elavil®" . "Endep®" . "Xylocaine®" . "Theolair®" . "Imbrilon" . "Inacid" . "Indacin" . "Indaflex" . "Indameth" . "Indmethacine" . "Indo-Lemmon" . "Indo-Phlogont" . "Indo-Rectolmin" . "Indo-Spray" . "Indo-Tablinen" . "Indocid Pda" . "Indocid Sr" . "Indocin I.V" . "Indocin I.V." . "Indocin Sr" . "Indolar Sr" . "Indomecol" . "Indomed" . "Indomee" . "Indomethegan" . "Indomo" . "Indomod" . "Indoptic" . "Indoptol" . "Indorektal" . "Indoxen" . "Inflazon" . "Infrocin" . "Inteban Sp" . "Lausit" . "Liometacen" . "Metacen" . "Metartril" . "Methazine" . "Metindol" . "Miametan" . "Mikametan" . "Mobilan" . "Novo-Methacin" . "Novomethacin" . "Nu-Indo" . "Reumacide" . "Rhemacin La" . "Rheumacin La" . "Sadoreum" . "Tannex" . "Vonum" . "Aerodose" . "Aerovent" . "Apo-Ipravent" . "Apovent" . "Atronase" . "Atrovent Aerosol" . "Atrovent HFA" . "Atrovent Nasal" . "Bitrop" . "Disne-Asmol" . "Ipravent" . "Ipvent" . "Prefrin Liquifilm" . "Kendral-Ipratropium" . "Narilet" . "Rhinotrop" . "Rhinovent" . "Rinatec" . "Rinoberen" . "Rinovagos" . "Vagos" . "Zyprexa Intramuscular" . "IOP" . "Zyprexa Zydis" . "Alerlisin" . "Cetryn" . "Formistin" . "Hitrizin Film Tablet" . "Reactine" . "Setir" . "Virlix" . "Ziptek" . "Zirtek" . "Zyrlex" . "Example 36 [WO2013097601]" . "Zyrtec Syrup" . "Zyrtec-D" . "Biomioran" . "Escoflex" . "EZE-DS" . "Flexazone" . "Mioran" . "Miotran" . "Myoflexin" . "Myoflexine" . "Neoflex" . "Parafon Forte Dsc" . "Pathorysin" . "Relaxazone" . "Remular" . "Remular-S" . "Solaxin" . "Strifon Forte Dsc" . "Usaf Ma-10" . "OPN-305" . "Fazaclo ODT" . "VK5A/H4" . "RS 102895" . "Adrianol" . "AK-Dilate" . "AK-Nefrin" . "Alcon Efrin" . "Alconefrin Nasal Drops 12" . "Alconefrin Nasal Drops 25" . "Alconefrin Nasal Drops 50" . "Alconefrin Nasal Spray 25" . "Biomydrin" . "Dilatair" . "Dionephrine" . "Doktors" . "Duration" . "I-Phrine" . "Isophrim" . "Isophrin" . "Isopto Frin" . "M-Sympathol" . "M-Synephrine" . "Mesatone" . "Mesatonum" . "Metasympatol" . "Metsatonum" . "Minims Phenylephrine" . "Mydfrin" . "Neo-Synephrine" . "Neo-Synephrine Nasal Drops" . "Neo-Synephrine Nasal Jelly" . "Neo-Synephrine Nasal Spray" . "Neofrin" . "Neophryn" . "Asaleptin" . "Iprox" . "Olansek" . "Zydis" . "Mesaton" . "M-Sympatol" . "Paraflex®" . "Indocid®" . "Indocin®" . "Atrovent®" . "Zyprexa®" . "Nostril" . "Nostril Spray Pump" . "Nostril Spray Pump Mild" . "Ocu-Phrin Sterile Eye Drops" . "Ocugestrin" . "Phenoptic" . "Prefrin" . "Pyracort D" . "Relief Eye Drops for Red Eyes" . "Rhinall" . "Spersaphrine" . "Vicks Sinex" . "RS102895" . "Abilit" . "Aiglonyl" . "Alimoral" . "Calmoflorine" . "Championyl" . "Coolspan" . "Darleton" . "Desmenat" . "Dobren" . "Dogmatil" . "Dogmatyl" . "Dolmatil" . "Dresent" . "Eglonil" . "Eglonyl" . "Enimon" . "Equilid" . "Eusulpid" . "Fardalan" . "Fidelan" . "Guastil" . "Isnamide" . "Kylistro" . "Levobren" . "Levopraid" . "Lisopiride" . "Mariastel" . "Meresa" . "Miradol" . "Mirbanil" . "Misulvan" . "Neogama" . "Norestran" . "Normum" . "Nufarol" . "Omiryl" . "Omperan" . "Ozoderpin" . "Psicocen" . "Pyrikappl" . "Pyrkappl" . "Restful" . "Sernevin" . "Splotin" . "Stamonevrol" . "Sulpitil" . "Sulpride" . "Suprium" . "Sursumid" . "Synedil" . "Valirem" . "Zemorcon" . "Cloxazepine" . "Dibenzacepin" . "Dibenzoazepine" . "Hydrofluoride 3170" . "Lossapina [Dcit]" . "Loxapin" . "Loxapina [INN-Spanish]" . "Loxapine [Usan:Ban:Inn]" . "Loxapinum [INN-Latin]" . "Loxepine" . "Loxitane Im" . "Oxilapine" . "Carbachol chloride" . "Carbachol hydrochloride" . "Carbachol USP27" . "Carbacholin" . "Carbacholine" . "Carbacholine chloride" . "Carbacolina" . "Carbaminocholine chloride" . "Carbaminoylcholine chloride" . "Carbamiotin" . "Carbamoylcholine chloride" . "Carbamoylcholine-hydrochloride" . "Carbamylcholine chloride" . "Carbastat intraocular" . "Carbochol" . "Carbocholin" . "Carbocholine" . "Carbyl" . "Carcholin" . "CB" . "Choline carbamate chloride" . "Choline chloride carbamate" . "Choline chloride, carbamoyl-" . "Choline chlorine carbamate" . "Choline, chloride, carbamate" . "Coletyl" . "Isopto Carbachol" . "Jestryl" . "Karbachol" . "Karbamoylcholin chlorid" . "Lentin" . "Lentine" . "Miostat" . "Mistura C" . "Moryl" . "P. V. Carbachol" . "Rilentol" . "Vasoperif" . "BI397" . "Euthyrox" . "Laevoxin" . "Letter" . "Levaxin" . "Levolet" . "Levothroid" . "Levothyrox" . "Levoxyl" . "Novothyrox" . "Oroxine" . "Cypoheptadine" . "Cyproheptadine Hcl" . "Dronactin" . "Eiproheptadine" . "Peritol®" . "Periactinol" . "Loxapac®" . "Neosynephrine" . "Eltroxin®" . "Sifrol" . "Carbastat®" . "Carboptic®" . "Periactin®" . "Loxitane®" . "Mirapex®" . "Synthroid" . "Synthroid Sodium" . "Thyratabs" . "Thyrax" . "Thyreoideum" . "Thyro-tabs" . "Thyroxevan" . "Thyroxin" . "Thyroxinal" . "Unithroid" . "Lentopres" . "Minipress Xl" . "SB 328437" . "Antideprin" . "Censtim" . "Censtin" . "Declomipramine" . "DPID" . "Dyna-Zina" . "Dynaprin" . "Estraldine" . "Eupramin" . "IM" . "Imavate" . "Imipramina" . "Imipramine Hcl" . "Imiprin" . "Imizin" . "Imizine" . "Imizinum" . "Impramine" . "Intalpram" . "Iramil" . "Irmin" . "Janimine" . "Norfranil" . "Pramine" . "Prazepine" . "Presamine" . "Promiben" . "Psychoforin" . "Sk-Pramine" . "Surplix" . "Timolet" . "Tipramine" . "Tofranil-PM (imipramine pamoate)" . "Tofraniln A" . "Trimipramine Maleate" . "Aflukin" . "Chinin" . "Chinine" . "Coco-Quinine" . "Quinine Dab" . "SB-328437" . "Δ9-THC" . "Dea No. 7369" . "Dea No. 7370" . "delta-9-tetrahydrocannabinol" . "delta-9-THC" . "(±)-NBI 74330" . "NBI74330" . "NBI 74330" . "Ro 26-4550" . "Yentreve" . "MMK 1" . "Ansiced" . "Anxiron" . "Axoren" . "Bespar" . "Buspimen" . "Buspinol" . "Buspisal" . "Censpar" . "Lucelan" . "Narol" . "Travin" . "Acibilin" . "Acinil" . "SD 208" . "Cimetum" . "Dyspamet" . "Edalene" . "SB 431542" . "Gastromet" . "Peptol" . "Tagamet HB" . "Tagamet HB 200" . "Tametin" . "Tratul" . "Ulcedin" . "Ulcedine" . "Ulcimet" . "Ulcofalk" . "Ulcomedina" . "Ulcomet" . "Ulhys" . "ALDO" . "Aloperidin" . "Aloperidol" . "Brotopon" . "Dozic" . "Dozix" . "Einalon S" . "Eukystol" . "Haldol La" . "Haldol Solutab" . "Halidol" . "Halojust" . "Halol" . "Halopal" . "Haloperido" . "Haloperidol Decanoate" . "Haloperidol Lactate" . "Halosten" . "Keselan" . "Lealgin Compositum" . "Linton" . "Mixidol" . "Novo-Peridol" . "Pekuces" . "Peluces" . "Peridol" . "Pernox" . "Pms Haloperidol" . "Apo-Haloperidol" . "Bioperidolo" . "Imidobenzyle" . "Galoperidol" . "Halopidol" . "Halopoidol" . "Berkomine" . "Dimipressin" . "Melipramine" . "Melipramin" . "Nelipramin" . "Cymbalta®" . "Chlorpromanyl" . "Thorazine®" . "Furazosin" . "Deltanyne" . "Abbott 40566" . "Alphagan®" . "Buspar®" . "Largactil®" . "Haldol®" . "Tofranil®" . "Minipress®" . "Serenase" . "Serenelfi" . "Sernas" . "Sernel" . "Sigaperidol" . "Ulcolind" . "Uliolind" . "Vesalium" . "Acetexa" . "Allegron" . "Altilev" . "Amitryptyline, Demethyl-" . "Ateben" . "AVENTYL HCL" . "Demethylamitriptylene" . "Demethylamitriptyline" . "Demethylamitryptyline" . "Desitriptilina" . "Desmethylamitriptyline" . "SB 505124" . "Noramitriptyline" . "Noritren" . "Nortrilen" . "Nortriptyline Hcl" . "Nortryptiline" . "Norzepine" . "Psychostyl" . "Sensaval" . "Sensival Ventyl" . "Sesaval" . "Vividyl" . "Ascendin" . "Defanyl" . "Demolox" . "Moxadil" . "Lamictal CD" . "Lamictal XR" . "Lamictin" . "LL 37" . "compound 58 [PMID: 30707578]" . "BI 397" . "Catarpres" . "Catarpresan" . "Clonistada" . "Dixarit" . "Duraclon" . "Duraclont" . "Ipotensium" . "Isoglaucon" . "Tenso-Timelets" . "Allvoran" . "Apo-Diclo" . "Assaren" . "Benfofen" . "Delphimix" . "Dichlofenac" . "Dichronic" . "Diclo-Phlogont" . "Diclo-Puren" . "Diclobenin" . "Diclord" . "Dicloreum" . "Dolobasan" . "Duravolten" . "Dyloject" . "Ecofenac" . "Effekton" . "Kriplex" . "Neriodin" . "Rukobia®" . "Novo-Difenac" . "Novo-Difenac SR" . "Nu-Diclo" . "Primofenac" . "Prophenatin" . "ProSorb-D" . "Rhumalgan" . "Solaraze" . "Solaraze T" . "Tsudohmin" . "Valetan" . "Voldal" . "Voltaren Ophtha" . "Voltaren Ophthalmic" . "Voltaren Rapide" . "Voltaren SR" . "Voltaren-XR" . "Xenid" . "CCX-140B" . "Apo-Fluphenazine" . "Elinol" . "Modecate" . "Moditen Enanthate" . "Moditen Hcl" . "Permitil Concentrate" . "Prolixin Concentrate" . "Prolixin Enanthate" . "Prolixine" . "Sevinol" . "Siqualine" . "Siqualon" . "Vespazine" . "Yespazine" . "Akotin" . "Anti-Pellagra Vitamin" . "Apelagrin" . "Bionic" . "Daskil" . "Davitamon PP" . "Diacin" . "Direktan" . "Efacin" . "Kyselina Nikotinova" . "Linic" . "Naotin" . "Niac" . "Niaspan" . "Nicacid" . "Nicangin" . "NICO" . "Nico-Span" . "Nicocidin" . "Nicocrisina" . "Nicodan" . "Nicodelmine" . "Nicodon" . "Niconacid" . "Niconat" . "Niconazid" . "Nicorol" . "Voltaren®" . "Catapressan" . "Pennsaid" . "Midamor®" . "amiprazidine" . "guanamprazine" . "Asendin®" . "Catapres®" . "Voltarol®" . "Cataflam®" . "Prolixin®" . "Serenace®" . "Lamictal®" . "Aventyl®" . "Pamelor®" . "Nicosan 3" . "Nicoside" . "Nicosyl" . "Nicotamin" . "Nicotene" . "Nicotil" . "Nicotinipca" . "Nicotinsaure" . "Nicovasan" . "Nicovasen" . "Nicyl" . "Nipellen" . "Nyclin" . "P.P. Factor" . "Pellagra Preventive Factor" . "Pellagramin" . "Pellagrin" . "Pelonin" . "Peviton" . "PP Factor" . "Simcor" . "Sk-Niacin" . "Tega-Span" . "Tinic" . "Vitaplex N" . "Akotin" . "Anti-Pellagra Vitamin" . "Apelagrin" . "Bionic" . "Daskil" . "Davitamon PP" . "Diacin" . "Direktan" . "Efacin" . "Kyselina Nikotinova" . "Linic" . "Naotin" . "Niac" . "Niaspan" . "Nicacid" . "Nicangin" . "NICO" . "Nico-Span" . "Nicocidin" . "Nicocrisina" . "Nicodan" . "Nicodelmine" . "Nicodon" . "Niconacid" . "Niconat" . "Niconazid" . "Nicorol" . "Nicosan 3" . "Nicoside" . "Nicosyl" . "Nicotamin" . "Nicotene" . "Nicotil" . "Nicotinipca" . "Nicotinsaure" . "Nicovasan" . "Nicovasen" . "Nicyl" . "Nipellen" . "Nyclin" . "P.P. Factor" . "Pellagra Preventive Factor" . "Pellagramin" . "Pellagrin" . "Pelonin" . "Peviton" . "PP Factor" . "Simcor" . "Sk-Niacin" . "Tega-Span" . "Tinic" . "Vitaplex N" . "Alermizol" . "Astemisan" . "Astemisol" . "Astemison" . "Histamen" . "Histaminos" . "Histazol" . "Metodik" . "Nono-Nastizol A" . "Paralergin" . "Retolen" . "Waruzol" . "Fortalgesic" . "Fortalin" . "Fortral" . "Liticon" . "Pentagin" . "Soseton" . "Sosigon" . "Talwan" . "FR 180204" . "Desyrel Dividose" . "Pragmazone" . "Sideril" . "Thombran" . "Tombran" . "FR-180204" . "SP 600125" . "Trazolan" . "SP-600125" . "Trialodine" . "Trittico" . "Adnephrine" . "Adrenal" . "Adrenalin-Medihaler" . "Adrenamine" . "Adrenan" . "Adrenapax" . "Adrenasol" . "Adrenatrate" . "Adrenine" . "Adrenodis" . "Adrenohorma" . "Adrenor" . "Adrenosan" . "Adrenutol" . "Adrin" . "Adrine" . "ADROP" . "Aktamin" . "Ana-Guard" . "Antiasthmatique" . "Asmatane Mist" . "Asthma Meter Mist" . "Asthma-Nefrin" . "Asthmahaler Mist" . "Asthmanefrin" . "Astmahalin" . "Astminhal" . "Balmadren" . "Bernarenin" . "Biorenine" . "Bosmin" . "Brevirenin" . "Bronkaid" . "Bronkaid Mist" . "Bimaran" . "Desirel" . "Molipaxin" . "Trazalon" . "Hismanal®" . "Desyrel®" . "Bronkaid Suspension Mist" . "Chelafrin" . "Citanest Forte" . "Corisol" . "Drenamist" . "Duranest" . "Dylephrin" . "Epi EZ Pen Jr" . "Epifrin" . "Epiglaufrin" . "Epipen Auto-Injector" . "Epipen EZ Pen" . "Epipen Jr." . "Epipen Jr. Auto-Injector" . "Epirenamine" . "Epirenan" . "Epirenin" . "Epitrate" . "Eppy" . "Esphygmogenina" . "Exadrin" . "Glaucon" . "Glaucosan" . "Glauposine" . "Glycirenan" . "Haemostasin" . "Haemostatin" . "Hektalin" . "Hemisine" . "Hemostasin" . "Hemostatin" . "Hypernephrin" . "Hyporenin" . "Intranefrin" . "Iontocaine" . "Isoptoepinal" . "Kidoline" . "Levonor" . "Levorenen" . "Levorenin" . "Levorenine" . "Lidocaton" . "Lyophrin" . "Medihaler-Epi" . "Metanephrin" . "Micronefrin" . "Mucidrina" . "Myosthenine" . "Mytrate" . "Nephridine" . "Nieraline" . "Paranephrin" . "Primatene Mist" . "Renagladin" . "Renaglandin" . "Renaglandulin" . "Renaleptine" . "Renalina" . "Renoform" . "Renostypricin" . "Renostypticin" . "Renostyptin" . "Scurenaline" . "Septocaine" . "Simplene" . "Sindrenina" . "Soladren" . "Sphygmogenin" . "Stryptirenal" . "Styptirenal" . "Supracapsulin" . "Supradin" . "Supranefran" . "Supranephrane" . "Supranephrine" . "Supranol" . "Suprarenaline" . "Suprarenin" . "Suprel" . "Surenine" . "Surrenine" . "Sus-Phrine" . "Susphrine" . "Sympathin E" . "Sympathin I" . "Takamina" . "Takamine" . "Tokamina" . "Tolansin" . "Tolax" . "Tolcil" . "Tolhart" . "Tonogen" . "Twinject" . "Vaponefrin" . "Vasoconstrictine" . "Vasodrine" . "Vasoton" . "Vasotonin" . "SB 202190" . "Imitrex Oral" . "Hyzaar" . "Lortaan" . "BGB-3111" . "Phentolamine Mesilate" . "Phentolamine Mesylate" . "Phentolamine Mesylate [USAN]" . "Phentolamine Methanesulfonate" . "Phentolamine Methanesulphonate" . "Phentolamine, Methyl Sulfonate" . "Regitin Methanesulphonate" . "Regitine Mesylate" . "Regitine Methanesulfonate" . "BGB3111" . "BGB-A317" . "Harnal" . "Pradif" . "BGBA317" . "PF-04965842" . "CR-4056" . "US8633208, 1" . "SEP-856" . "Risperdal Consta" . "Risperdal M-Tab" . "Risperidal M-Tab" . "SEP363856" . "SEP-363856 (parent molecule)" . "Phentalamine" . "Regitin" . "Rilutek®" . "Regitipe" . "Imigran®" . "Risperin" . "Omnic®" . "Sumatran" . "Sumax" . "Apokyn®" . "Epipen®" . "Ixense®" . "Uprima®" . "Cozaar®" . "Regitine®" . "Alista" . "Alprox-TD" . "Befar" . "Caverject" . "Edex" . "Femprox" . "l-Prostaglandin E1" . "Muse" . "Prink" . "Prostaglandin E1" . "Prostin VR" . "Prostin VR Pediatric" . "Topiglan" . "Propanthel" . "Alora" . "Climara" . "Divigel" . "Elestrin" . "Estrace" . "Estraderm MX" . "Estraderm TTS" . "Estrasorb Topical" . "Estring" . "Estrofem" . "Estrogel" . "EvaMist" . "Femring" . "Femtrace" . "Gynodiol" . "Innofem" . "Menostar" . "Vivelle-Dot" . "Alora" . "Climara" . "Divigel" . "Elestrin" . "Estrace" . "Estraderm MX" . "Estraderm TTS" . "Estrasorb Topical" . "Estring" . "Estrofem" . "Estrogel" . "EvaMist" . "Femring" . "Femtrace" . "Gynodiol" . "Innofem" . "Menostar" . "Vivelle-Dot" . "Bafameritin-M" . "Bafhameritin-M" . "Bonabol" . "Coslan" . "SB 203580" . "SCIO 469 hydrochloride" . "Lysalgo" . "Mefacit" . "Namphen" . "Parkemed" . "Ponalar" . "Ponstan Forte" . "Ponstil" . "Ponstyl" . "Pontal" . "Tamany Bonsan" . "Tanston" . "Vialidon" . "Amias" . "Blopress" . "1-naphthyl PP1" . "Atumin" . "Bentomine" . "Bentyl Hydrochloride" . "Bentylol" . "Bentylol Hydrochloride" . "Di-Syntramine" . "Pep-Rani" . "Dicicloverina [INN-Spanish]" . "Dicyclomine Hcl" . "Dicyclomine Hydrochloride" . "Dicycloverin" . "Dicycloverin Hydrochloride" . "Dicycloverine" . "Dicycloverine Hydrochloride" . "Dicycloverinum [INN-Latin]" . "Rani-Puren" . "Diethylaminocarbethoxybicyclohexyl Hydrochloride" . "Diocyl" . "Diocyl Hydrochloride" . "Dyspas" . "Formulex" . "Kolantyl Hydrochloride" . "Mamiesan" . "Merbentyl" . "Oxityl-P" . "Procyclomin" . "Sawamin" . "Spasmoban" . "Wyovin" . "Wyovin Hydrochloride" . "Duragesic" . "Duragesic-100" . "NS 398" . "Fentanil" . "Nasalfent" . "Pentanyl" . "Phentanyl" . "Rapinyl" . "Sentonil" . "Subsys" . "Eskazine" . "Fluoperazine" . "Jatroneural" . "Modalina" . "Novo-Trifluzine" . "Stellazine" . "Synklor" . "Terfluzine" . "Trazine" . "Triflurin" . "Triftazin" . "Triftazine" . "Triperazine" . "Triphtazin" . "Triphtazine" . "Triphthasine" . "Triphthazine" . "Tryptazine" . "Apo-Perphenazine" . "Emesinal" . "F-Mon" . "Perphenan" . "Thilatazin" . "Trifaron" . "TH-4000" . "Actiq®" . "Bentyl®" . "Durogesic®" . "Ponstan®" . "Ponstel®" . "Decentan®" . "Fentazin®" . "Alprostadil®" . "Pro-Banthine®" . "Eskazinyl®" . "Stelazine®" . "Trilifan" . "Triphenot" . "Alquen" . "Alter-H2" . "Alvidina" . "Apo-Ranitidin" . "Artomil" . "Azuranit" . "Coralen" . "Digestosan" . "Ergan" . "Esofex" . "Fendibina" . "Gastrial" . "Gastridina" . "Gastrolav" . "Gastrosedol" . "Kuracid" . "Label" . "Lake" . "Logat" . "Melfax" . "Microtid" . "Mideran" . "Neugal" . "Noctone" . "Noktome" . "Normon" . "Novo-Radinine" . "Nu-Ranit" . "Gliboral" . "Ptinolin" . "Quadrin" . "Quantor" . "Radin" . "RAN" . "Ran H2" . "Ran Lich" . "Rani 2" . "Rani AbZ" . "Rani-BASF" . "Rani-nerton" . "Rani-Q" . "Rani-Sanorania" . "Raniben" . "Raniberl" . "Raniberta" . "Ranibloc" . "Ranic" . "Ranicux" . "Ranidil" . "Ranidin" . "Ranidine" . "Ranidura" . "Ranifur" . "Ranigasan" . "Ranigast" . "Ranigen" . "Ranilonga" . "Ranimerck" . "Raniogas" . "Raniplex" . "Ranisan" . "Ranitab" . "Ranitic" . "Ranitidin" . "Ranitidin 1A Pharma" . "Ranitidin AL" . "Ranitidin Arcana" . "Ranitidin Atid" . "Ranitidin AWD" . "Ranitidin Basics" . "Ranitidin Duncan" . "Ranitidin Dyna" . "Ranitidin Helvepharm" . "Ranitidin Heumann" . "Ranitidin Hexal" . "Ranitidin Merck" . "Ranitidin Millet" . "Ranitidin NM" . "Ranitidin Normon" . "Ranitidin PB" . "Ranitidin Stada" . "Ranitidin von ct" . "Ranitidin-Cophar" . "Ranitidin-Isis" . "Ranitidin-ratiopharm" . "Ranitidina predilu Grif" . "Ranitidina Tamarang" . "Ranitiget" . "Ranitin" . "Ranitine" . "Ranobel" . "Rantacid" . "Ranuber" . "Raticina" . "Regalil" . "Renatac" . "Rozon" . "Rubiulcer" . "Santanol" . "Serviradine" . "Sostril" . "Tanidina" . "Taural" . "Terposen" . "Toriol" . "Trigger" . "Ulcecur" . "Ulcex" . "Ulcirex" . "Ulcodin" . "Ulcolind Rani" . "Ulsaven" . "Ultidine" . "Viserul" . "Zandid" . "PR610" . "Zantac 150" . "Zantac 75" . "Zantac In Plastic Container" . "Zantarac" . "Zantic" . "Depixol" . "Fluanxol" . "Flupentixol" . "Flurentixol" . "Fluxanxol" . "Siplaril" . "Siplarol" . "Aethanol" . "Aethylalkohol" . "Alcare Hand Degermer" . "Algrain" . "Anhydrol" . "Colamine" . "Denatured Alcohol Cd-10" . "Denatured Alcohol Cd-5" . "Denatured Alcohol Cd-5a" . "Denatured Alcohol Sd-1" . "Denatured Alcohol Sd-13a" . "Denatured Alcohol Sd-17" . "Denatured Alcohol Sd-23a" . "Denatured Alcohol Sd-28" . "Vaprisol®" . "Trilafon®" . "Denatured Alcohol Sd-30" . "Denatured Alcohol Sd-39b" . "Denatured Alcohol Sd-39c" . "Denatured Alcohol Sd-3a" . "Denatured Alcohol Sd-40m" . "Ethanol Absolute" . "Ethanol Absolute Bp" . "Ethanol, Silent Spirit" . "Ethyl Alcohol & Water, 10%" . "Ethyl Alcohol & Water, 20%" . "Ethyl Alcohol & Water, 30%" . "Ethyl Alcohol & Water, 40%" . "Ethyl Alcohol & Water, 5%" . "Ethyl Alcohol & Water, 50%" . "Ethyl Alcohol & Water, 60%" . "Ethyl Alcohol & Water, 70%" . "Ethyl Alcohol & Water, 80%" . "Ethyl Alcohol & Water, 95%" . "Ethyl Alcohol & Water, 96%" . "Glycinol" . "Jaysol" . "Jaysol S" . "Methylated Spirit Mineralised" . "Pyro" . "Reagent Alcohol" . "Spirit" . "Synasol" . "Tecsol" . "Tecsol C" . "Thanol" . "Thiofaco M-50" . "Apo-Quinidine" . "Biquin Durules" . "Cardioquin" . "Chinidin" . "Cin-Quin" . "Coccinine" . "Conchinin" . "Conchinine" . "Conquinine" . "Duraquin" . "Kinidin" . "Novoquinidin" . "Pitayin" . "Pitayine" . "Quin-Release" . "Quinact" . "Quinaglute Dura-Tabs" . "Quinalan" . "Quinate" . "Quinatime" . "Quindine" . "Quinicardine" . "Quinidex Extentabs" . "Quinora" . "Prepidil" . "Prostarmon E" . "Prostin E" . "Prostin E2" . "Afrin Cherry 12 Hour Nasal Spray" . "Afrin Extra Moisturizing 12 Hour Nasal Spray" . "Afrin Original 12 Hour Nasal Spray" . "Glicem" . "Afrin Original 12 Hour Nose Drops" . "Afrin Original 12 Hour Pump Mist" . "Afrin Sinus 12 Hour Nasal Spray" . "Dristan Long Lasting Mentholated Nasal Spray" . "Dristan Long Lasting Nasal Mist" . "Drixoral Nasal Solution" . "Duramist Plus Up To 12 Hour Nasal Decongestant Spray" . "Duration 12 Hour Nasal Spray" . "Genasal Nasal Spray Up to 12 Hour Relief" . "tarloxotinib cation" . "Nasal Relief 12 Hour Nasal Spray" . "Nasivine" . "Navasin" . "Neo-Synephrine 12 Hour Spray" . "Nostrilla 12 Hour Nasal Decongestant" . "OcuClear" . "Rhinolitan" . "Vicks Sinex 12 Hour Ultra Fine Mist for Sinus Relief" . "Visine L.R" . "Visine L.R." . "Naramig" . "Maxalt MLT" . "Maxalt-MLT" . "Intropin" . "Revimine" . "Abbenclamide" . "Adiab" . "Azuglucon" . "Bastiverit" . "Benclamin" . "Betanase" . "Betanese 5" . "Calabren" . "Cytagon" . "Daonil" . "Debtan" . "Dia-basan" . "Diabiphage" . "Dibelet" . "Duraglucon" . "Euclamin" . "Euglucan" . "Euglucon" . "Euglucon 5" . "Euglykon" . "GBN 5" . "Gen-Glybe" . "Gewaglucon" . "Gilemal" . "Glamide" . "Glibadone" . "Gliban" . "Gliben" . "Gliben-Puren N" . "Glibenbeta" . "Iliadin" . "Nezeril" . "Sinerol" . "Nafrine" . "Diabeta®" . "Lotronex®" . "Lumigan®" . "Faslodex®" . "Amerge®" . "Afrin®" . "Vicks Sinex®" . "Cervidil®" . "Propess®" . "Quinaglute®" . "Quinidex®" . "Rozerem®" . "Maxalt®" . "Micardis®" . "Glibenclamid AL" . "Glibenclamid Basics" . "Glibenclamid Fabra" . "Glibenclamid Genericon" . "Glibenclamid Heumann" . "Glibenclamid Riker M." . "Glibenclamid-Cophar" . "Glibenclamid-Ratiopharm" . "Glibenil" . "Glibens" . "Glibesyn" . "Glibet" . "Glibetic" . "Glibil" . "Glidiabet" . "Glimel" . "Glimide" . "Glimidstata" . "Glisulin" . "Glitisol" . "Glubate" . "Gluben" . "Gluco-Tablimen" . "Glucobene" . "Glucohexal" . "Glucolon" . "Glucomid" . "Glucoremed" . "Glucoven" . "Glyben" . "Glybenclamide" . "Glybenzcyclamide" . "Glycolande" . "Glycomin" . "BAY-u 9773" . "Hexaglucon" . "Humedia" . "Lederglib" . "Libanil" . "Lisaglucon" . "Malix" . "Maninil" . "Med-Glionil" . "Melix" . "Micronase" . "Miglucan" . "Nadib" . "Neogluconin" . "Norglicem 5" . "Normoglucon" . "Novo-Glyburide" . "Orabetic" . "Pira" . "Praeciglucon" . "PresTab" . "Prodiabet" . "Renabetic" . "Semi-Daonil" . "Sugril" . "Suraben" . "Tiabet" . "Yuglucon" . "Intuniv®" . "Irbesarran" . "Circadin®" . "Lrbesartan" . "Mela-T" . "Melatonex" . "Melatonin" . "Melatonine" . "Melovine" . "MT6" . "Nature'S Harmony" . "Night Rest" . "Revital Melatonin" . "Rx Balance" . "Sleep Right" . "Vivitas" . "Aleryl" . "Alledryl" . "Allerdryl" . "Allergan B" . "Allergeval" . "Allergical" . "Allergin" . "Allergina" . "Allergival" . "Allermax Caplets" . "Ambodryl" . "Amidryl" . "Antomin" . "Automin" . "Bagodryl" . "Banophen" . "Baramine" . "Beldin" . "Belix" . "Ben-Allergin" . "Bena" . "Benachlor" . "Benadrin" . "Benapon" . "Benodin" . "Benodine" . "Benylan" . "Benylin" . "Betramin" . "Compoz" . "Dabylen" . "Debendrin" . "Dermistina" . "Dermodrin" . "Desentol" . "Diabenyl" . "Diabylen" . "Dibendrin" . "Dibenil" . "Dibondrin" . "Difedryl" . "Dihidral" . "Dimedrol" . "Dimedryl" . "Diphantine" . "Diphen" . "Diphen Cough" . "Diphenhist" . "Dormarex 2" . "Dryistan" . "Drylistan" . "Dylamon" . "Etanautine" . "Genahist" . "Histaxin" . "Hyadrine" . "Hydramine" . "Hyrexin" . "Ibiodral" . "Medidryl" . "Mephadryl" . "Nausen" . "Nervine Nighttime Sleep-Aid" . "Novamina" . "Nytol Quickcaps" . "example 129 [WO2011069063A2]" . "Melatol" . "Benadryl®" . "Avapro®" . "Orbactiv®" . "Nytol Quickgels" . "Probedryl" . "Restamin" . "Rigidil" . "Siladryl" . "Silphen" . "Sleep-Eze D" . "Syntedril" . "Syntodril" . "Twilite Caplets" . "Unisom Sleepgels Maximum Strength" . "Vena" . "Vicks Formula 44" . "Akarpine" . "Almocarpine" . "Ami-Pilo" . "Amistura P" . "Epicar" . "Isopto Carpine" . "Isoptocarpine" . "Mi-Pilo" . "Mi-Pilo Ophth Sol" . "Minims Pilocarpine" . "Miocarpine" . "Mistura P" . "Ocu-Carpine" . "Ocusert P 20" . "Ocusert Pilo" . "Ocusert Pilo-20" . "Ocusert Pilo-40" . "P.V. Carpine Liquifilm" . "Pilagan" . "Pilocar" . "Pilocar SMP" . "Pilocarpal" . "Pilocel" . "Pilokarpol" . "Pilomiotin" . "Pilopine HS" . "Piloptic-1" . "Piloptic-1/2" . "Piloptic-2" . "Piloptic-3" . "Piloptic-4" . "Piloptic-6" . "Pilostat" . "Pilovisc" . "Sno Pilo" . "Syncarpine" . "MK 886" . "Aller-Chlor" . "Allergican" . "Allergisan" . "Antagonate" . "Chlo-Amine" . "Chlor-Trimeton" . "Chlor-Trimeton Allergy" . "Chlor-Trimeton Repetabs" . "Chlor-Tripolon" . "Chloropiril" . "Cloropiril" . "Efidac 24 Chlorpheniramine Maleate" . "Gen-Allerate" . "Histadur" . "Kloromin" . "Mylaramine" . "Novo-Pheniram" . "Pediacare Allergy Formula" . "Phenetron" . "Piriton" . "Polaramine" . "Polaronil" . "Pyridamal 100" . "Telachlor" . "Teldrin" . "PAF (C16)" . "Adalat 10" . "Adalat 20" . "Adalat 5" . "Adalat CC" . "Adalat CR" . "Adalat Crono" . "Adalat Ft" . "Adalat Gits" . "Adalat Gits 30" . "Adalat LA" . "Adalat LP" . "Adalat Oros" . "Adalat PA" . "Adalat Retard" . "Adalate" . "Adapine" . "Adapress" . "Alat" . "Aldipin" . "Alfadal" . "Alonix" . "Alonix S" . "Alpha-Nifedipine Retard" . "Angipec" . "Anifed" . "Anpine" . "Apo-Nifed" . "Aprical" . "Bonacid" . "Calcibloc" . "Calcigard" . "Calcilat" . "Camont" . "Cardifen" . "Cardilat" . "Cardionorm" . "Chronadalate" . "Chronadalate Lp" . "Citilat" . "Coracten" . "Coral" . "Cordafen" . "Cordaflex" . "Cordalat" . "Cordicant" . "Cordilan" . "Corinfar" . "Corotrend" . "Corynphar" . "Depin" . "Dignokonstant" . "Dilafed" . "Dipinkor" . "Duranifin" . "Ecodipi" . "Ecodipin" . "Ecodipin E" . "Fedcor" . "Fedcor Retard" . "Fenamon" . "Fenamon Sr" . "Fenihidin" . "Fenihidine" . "Glopir" . "Hadipin" . "Hexadilat" . "Introcar" . "Pilocarpol" . "Opiran" . "Neoperidole" . "Salagen®" . "Kordafen" . "Macorel" . "Megalat" . "Myogard" . "NS 304" . "Nedipin" . "Nicardia" . "Nifangin" . "Nifar" . "Nifdemin" . "Nifebene" . "Nifecard" . "Nifecor" . "Nifedepat" . "Nifedicor" . "Nifedin" . "Nifedine" . "Nifedipine Retard" . "Nifedipres" . "Nifedirex LP" . "Nifelan" . "Nifelat" . "Nifelat Q" . "Nifelate" . "Nifensar XL" . "Nificard" . "Nifidine" . "Nifipen" . "Niphedipine" . "Orix" . "Oxcord" . "Pidilat" . "Procardia XL" . "Sepamit" . "Tibricol" . "Zenusin" . "Aminodarone" . "Amio-Aqueous IV" . "Amiodarons" . "Aratac" . "Arycor" . "Cordarone Intravenous" . "Labaz" . "pms-Amiodarone" . "Dizoxide" . "Eudemine" . "EL-737" . "ractopamin" . "Mutabase" . "Proglicem" . "Ro 47-0543" . "Optaflexx®" . "Paylean®" . "Tomax®" . "Nourianz®" . "MK4815" . "etaquine" . "AZD-3759" . "compound 1m [PMID: 26313252]" . "PF06700841" . "compound 23 [PMID: 30113844]" . "ATB346" . "ATB-346, (S)-" . "TAS115" . "Adapin" . "Aponal" . "Curatin" . "Quitaxon" . "Triadapin" . "Zonalon" . "Narcanti" . "Seroquel XR" . "Apo-Metoclop" . "Cerucal" . "Clopra" . "Clopra-Yellow" . "Clopromate" . "DEL" . "Duraclamid" . "Elieten" . "Emetid" . "Emitasol" . "Emperal" . "Eucil" . "Gastrese" . "Gastro-Timelets" . "Gastrobid" . "Gastromax" . "Gastronerton" . "Gastrosil" . "Gastrotablinen" . "Gastrotem" . "Imperan" . "Maxeran" . "Meclopran" . "Metamide" . "Metoclopramide Intensol" . "Metoclopramide Omega" . "Metocobil" . "Metramid" . "Mygdalon" . "Neu-Sensamide" . "Nu-Metoclopramide" . "Octamide" . "Parmid" . "Paspertin" . "Peraprin" . "Plasil" . "Pms-Metoclopramide" . "Procardia®" . "Pertofran" . "Seroquel®" . "Sertofran" . "Metoclol" . "Moriperan" . "Narcon" . "Nalone" . "Cordarone®" . "Pacerone®" . "Norpramin®" . "Pertrofane®" . "Motilium®" . "Nauzelin®" . "Sinequan®" . "Narcan®" . "Pramidin" . "Pramiel" . "Pramin" . "Reclomide" . "Volsol" . "Terperan" . "Abilitat" . "Hydiphen" . "Befizal" . "Bezalip retard" . "Bezatol" . "Bezatol SR" . "Cedur" . "Amsustain" . "Dephadren" . "Dexacaps" . "Dexedrine" . "Dexidrine" . "Acetasol" . "Borofair" . "Actol" . "Flogovital" . "Forenol" . "Landruma" . "Niflam" . "Nifluril" . "Naganine" . "Naganol" . "Lopac-F-100" . "Amnoid" . "Tamibaro" . "Rimoslim" . "Riobant" . "Slimona" . "Zimulti" . "Archidyn" . "Rifadine" . "Rifagen" . "Rifaldin" . "Rifaprodin" . "Rifoldin" . "Rifoldine" . "Riforal" . "Rimactan" . "Rimactane" . "Rimactin" . "Rimazid" . "Rofact" . "Tubocin" . "Adexone" . "Aeroseb-D" . "Aeroseb-Dex" . "Anaflogistico" . "Aphtasolon" . "Aphthasolone" . "Auxiron" . "Azium" . "Bisu Ds" . "Calonat" . "Corson" . "Corsone" . "Cortisumman" . "Decacort" . "Decacortin" . "Decaderm" . "Decadron Tablets, Elixir" . "Decadron-La" . "Decagel" . "Decalix" . "Decasone" . "Decaspray" . "Dectancyl" . "Dekacort" . "Deltafluorene" . "Dergramin" . "Deronil" . "Desadrene" . "Desameton" . "Deseronil" . "Dex-Ide" . "Dexa" . "Dexa Mamallet" . "Dexa-Cortidelt" . "Dexa-Cortisyl" . "Dexa-Mamallet" . "Dexa-Scheroson" . "Dexa-Sine" . "Dexacort" . "Dexacortal" . "Dexacortin" . "Dexadeltone" . "Dexafarma" . "Dexalona" . "Dexaltin" . "Dexameth" . "Dexamethasone Intensol" . "Dexamonozon" . "Dexapolcort" . "Dexapos" . "Dexaprol" . "Dexason" . "Dexasone" . "Dexinolon" . "Dexinoral" . "Dexone" . "Dexone 0.5" . "Dexone 0.75" . "Dexone 1.5" . "Dexone 4" . "Dexonium" . "Dextelan" . "Dinormon" . "Fluormone" . "Fluorocort" . "Fortecortin" . "Gammacorten" . "Hexadecadrol" . "Hexadrol" . "Hexadrol Elixir" . "Hexadrol Tablets" . "Hl-Dex" . "IontoDex" . "Isopto-Dex" . "Lokalison F" . "Loverine" . "Primperan" . "Rifadin®" . "Antrypol" . "Belganyl" . "Farma" . "Fourneau" . "Germanin" . "Moranyl" . "Naganil" . "Naganin" . "Abilify®" . "Bezalip®" . "Colcrys®" . "Decadron®" . "Dexadrine®" . "Dextrostat®" . "Redeptin®" . "Imap®" . "Reglan®" . "Serdolect®" . "Serlect®" . "Acomplia®" . "Luxazone" . "Maxidex" . "Mediamethasone" . "Mexidex" . "Millicorten" . "Mymethasone" . "Ocu-Trol" . "Oradexon" . "Pet Derm Iii" . "Pet-Derm Iii" . "Policort" . "Posurdex" . "Prednisolon F" . "Prednisolone F" . "Sk-Dexamethasone" . "Spoloven" . "Sunia Sol D" . "Superprednol" . "Turbinaire" . "Visumetazone" . "Epitaxol" . "Onxol" . "Paxceed" . "L-161,982" . "Taxol A" . "Vascular Wrap" . "Xorane" . "Davonex" . "Calcitriol Oral Solution" . "Decostriol" . "Adonal" . "Aephenal" . "Agrypnal" . "Amylofene" . "Aphenylbarbit" . "Aphenyletten" . "Barbenyl" . "Barbinal" . "Barbiphen" . "Barbiphenyl" . "Barbipil" . "Barbita" . "Barbivis" . "Barbonal" . "Barbophen" . "Bardorm" . "Bartol" . "Bialminal" . "Blu-Phen" . "Cabronal" . "Calmetten" . "Chinoin" . "Codibarbita" . "Coronaletta" . "Cratecil" . "Damoral" . "Dezibarbitur" . "Dormina" . "Dormiral" . "Dormital" . "Doscalun" . "Duneryl" . "Ensobarb" . "Ensodorm" . "Epanal" . "Epidorm" . "Epilol" . "Epsylone" . "Eskabarb" . "Etilfen" . "Euneryl" . "Fenbital" . "Fenemal" . "Fenosed" . "Fenylettae" . "Gardenal" . "Gardepanyl" . "Glysoletten" . "Haplopan" . "Haplos" . "Helional" . "Hennoletten" . "Henotal" . "Hypnaletten" . "Hypnette" . "Hypno-Tablinetten" . "Hypnogen" . "Hypnolone" . "Hypnoltol" . "Hysteps" . "Lefebar" . "Leonal" . "Lephebar" . "Lepinal" . "Lepinaletten" . "Linasen" . "Liquital" . "Lixophen" . "Lubergal" . "Lubrokal" . "Lumen" . "Lumesettes" . "Lumesyn" . "Lumofridetten" . "Luphenil" . "Luramin" . "Molinal" . "Neurobarb" . "Nirvonal" . "Noptil" . "Nova-Pheno" . "Nunol" . "Parkotal" . "Pharmetten" . "Phen-Bar" . "Phenaemal" . "Phenemal" . "Phenemalum" . "Phenobal" . "Phenobarbyl" . "Phenoluric" . "Phenolurio" . "Phenomet" . "Phenonyl" . "Phenoturic" . "Phenyletten" . "Phenyral" . "Phob" . "Polcominal" . "Promptonal" . "Seda-Tablinen" . "Sedabar" . "Sedicat" . "Sedizorin" . "Sedlyn" . "Sedofen" . "Sedonal" . "Sedonettes" . "Sevenal" . "Sinoratox" . "Solfoton" . "Solfoton Talpheno" . "Solu-Barb" . "Dovonex®" . "Calcijex®" . "Taxol®" . "Abraxane® (albumin-bound suspension)" . "Sombutol" . "Somnolens" . "Somnoletten" . "Somnosan" . "Somonal" . "Spasepilin" . "Starifen" . "Starilettae" . "Stental" . "Stental Extentabs" . "Talpheno" . "Teolaxin" . "Teoloxin" . "Thenobarbital" . "Theoloxin" . "Triabarb" . "Tridezibarbitur" . "Triphenatol" . "Versomnal" . "Zadoletten" . "Zadonal" . "Corlux" . "Korlym" . "Mifegyne" . "Targret" . "ONO AE3 208" . "Targretin-gel" . "Targretyn" . "Aquacrine" . "Crinovaryl" . "Cristallovar" . "Crystogen" . "Destrone" . "Disynformon" . "Endofolliculina" . "Esterone" . "Estrin" . "Estrogenic Substance" . "Estrol" . "Estron" . "Estrona" . "Estrona [INN-Spanish]" . "Estrona [Spanish]" . "Estrone [Usan:Inn]" . "Estrone-A" . "Estronum [INN-Latin]" . "Estrovarin" . "Estrugenone" . "Estrusol" . "Femestrone Inj." . "Femestrone Injection" . "Femidyn" . "Fermidyn" . "Folikrin" . "Folipex" . "Folisan" . "Follestrine" . "Follestrol" . "Follicular Hormone" . "Folliculin" . "Folliculine" . "Folliculine Benzoate" . "Follicunodis" . "Follidrin" . "Glandubolin" . "Hiestrone" . "Hormestrin" . "Hormofollin" . "Hormovarine" . "Ketodestrin" . "Ketohydroxy-Estratriene" . "Ketohydroxyestrin" . "Ketohydroxyoestrin" . "Ketophydroxyestrin" . "Kolpon" . "Menagen" . "Menformon" . "Menformon A" . "Mestronaq" . "Oestrin" . "Oestroform" . "Oestrone" . "Oestrone [Steroidal Oestrogens]" . "Oestronum" . "Oestroperos" . "OVEX" . "Ovifollin" . "Penncap M" . "Perlatan" . "Sinafid M-48" . "Solliculin" . "Theelin" . "Thelestrin" . "Thelykinin" . "Thynestron" . "Tokokin" . "Unden" . "Wynestron" . "Wynestronpencap M" . "Keoxifene" . "Andriol" . "Androgel" . "Androlin" . "Andronaq" . "Andronate 100" . "Andronate 200" . "Andropatch" . "Andropository 200" . "Androsorb" . "Andrusol" . "Andryl 200" . "Bio-T-Gel" . "Cristerona T" . "Cristerone T" . "Everone 200" . "Libigel" . "Malerone" . "Malestrone" . "Mertestate" . "Metandren" . "Neo-Hombreol F" . "Neo-Testis" . "Neotestis" . "Oreton" . "Oreton F" . "Oreton Methyl" . "Oreton-F" . "Orquisteron" . "Perandren" . "Percutacrine Androgenique" . "Primotest" . "Primoteston" . "Relibra" . "Striant" . "Sustanon" . "Sustanone" . "Synandrol F" . "T-Cypionate" . "Teslen" . "Testamone 100" . "Testandrone" . "Androderm®" . "Targrexin®" . "Kestrone®" . "Mifeprex®" . "Evista®" . "Testaqua" . "Testiculosterone" . "Testim" . "Testobase" . "Testoderm" . "Testoderm Tts" . "Testogel" . "Testoject-50" . "Testolin" . "Testopel Pellets" . "Testopropon" . "Testosteroid" . "Testoviron" . "Testoviron Schering" . "Testoviron T" . "Testrin-P.A" . "Testro AQ" . "Testrone" . "Testryl" . "Virormone" . "Virosterone" . "Anadroid-F" . "Android-f" . "Androsterolo" . "Fluosterone" . "Fluotestin" . "Flusteron" . "Flutestos" . "AZD2014" . "Neo-Ormonal" . "Ora Testryl" . "Ora-testryl" . "Oralsterone" . "Oratestin" . "Testoral" . "Ultandren" . "Ultandrene" . "Ak-Pred" . "Ak-Tate" . "Alphadrol" . "Articulose-50" . "Co-Hydeltra" . "Codelcortone" . "Cordrol" . "Cortalone" . "Cotogesic" . "Cotolone" . "Decaprednil" . "Decortin H" . "Delcortol" . "Delta F" . "Delta-Cortef" . "Delta-Stab" . "Deltacortenol" . "Deltacortril" . "Deltacortril Enteric" . "Deltasolone" . "Deltisilone" . "Depo-Medrol" . "Derpo Pd" . "Dexa-Cortidelt Hostacortin H" . "Di-Adreson F" . "Dicortol" . "Donisolone" . "Dydeltrone" . "Eazolin D" . "Econopred" . "Erbacort" . "Erbasona" . "Estilsona" . "Fernisolone" . "Fernisolone P" . "Fernisolone-P" . "Flamasone" . "Hostacortin H" . "Hydeltra" . "Hydeltra-Tba" . "Hydeltrasol" . "Hydeltrone" . "Hydrodeltalone" . "Hydrodeltisone" . "Hydroretrocortin" . "Hydroretrocortine" . "I-Pred" . "Inflamase Forte" . "Inflamase Mild" . "Key-Pred" . "Klismacort" . "Lentosone" . "Lite Pred" . "M-Predrol" . "Medrol" . "Medrol Acetate" . "Metacortandralone" . "Meti-Derm" . "Meticortelone" . "Metreton" . "Nor-Pred T.B.A." . "Ocu-Pred" . "Ocu-Pred Forte" . "Ophtho-Tate" . "Panafcortelone" . "Paracortol" . "Paracotol" . "Precortalon" . "Precortancyl" . "Precortilon" . "Precortisyl" . "Pred Forte" . "Pred Mild" . "Predair" . "Predair A" . "Predair Forte" . "Predalone T.B.A." . "Predate Tba" . "Predate-50" . "Predcor-25" . "Predcor-50" . "Predcor-Tba" . "Predne-Dome" . "Prednelan" . "Predni-Dome" . "Prednicen" . "Predniliderm" . "Predniretard" . "Prednis" . "Predonin" . "Predonine" . "Prelone" . "Prenolone" . "Rolisone" . "Scherisolon" . "Solone" . "Steran" . "Sterane" . "Sterolone" . "Supercortisol" . "Ulacort" . "Ultra Pred" . "Ultracorten H" . "Ultracortene H" . "Ultracortene-H" . "Ultracortene-Hydrogen" . "Adcortyl" . "Pediapred®" . "Aristocort" . "Aristocort A" . "Aristocort Tablets" . "Aristogel" . "Aristospan" . "Azmacort" . "Celeste" . "Cinolone" . "Cinolone-T" . "Delphicort" . "Flutex" . "Fougera" . "Kenacort" . "Kenacort-Ag" . "Kenalog in Orabase" . "Kenalog-10" . "Kenalog-40" . "Kenalog-H" . "Ledercort" . "Nasacort Aq" . "Nasacort Hfa" . "Omcilon" . "Omicilon" . "Oracort" . "Oralone" . "Orion" . "Rodinolone" . "Sk-Triamcinolone" . "Tri-Nasal" . "Triacet" . "Triacort" . "Triam-Tablinen" . "Triamcet" . "Triamcinlon" . "Triamcinolon" . "Triatex" . "Tricortale" . "Triderm" . "Trilone" . "Tristoject" . "Trymex" . "Volon" . "Volon A" . "Aeroseb HC" . "Aeroseb-HC" . "Ala-cort" . "Ala-Scalp" . "Alacort" . "Algicirtis" . "Alphaderm" . "Amberin" . "Anflam" . "Anusol HC" . "Aquacort" . "Aquanil HC" . "Balneol-hc" . "Barseb HC" . "Basan-Corti" . "Beta-hc" . "CaldeCORT Spray" . "Cetacort" . "Clear aid" . "Cleiton" . "Cobadex" . "Colocort" . "Compound F" . "Cort-Dome" . "Cortaid" . "Cortanal" . "Cortef" . "Cortef Acetate" . "Cortenema" . "Cortesal" . "Corticreme" . "Cortifan" . "Cortifoam" . "Cortiment" . "Cortisol" . "Cortisol alcohol" . "Cortisolonum" . "Cortisporin" . "Cortisporin Otico" . "Cortispray" . "Cortolotion" . "Cortonema" . "Cortoxide" . "Cortril" . "Cremesone" . "Cremicort-H" . "Cutisol" . "Delacort" . "Derm-Aid" . "Dermacort" . "Dermaspray" . "Dermil" . "Dermocortal" . "Dermolate" . "Dioderm" . "Dome-cort" . "Domolene-HC" . "Dricort" . "Drotic" . "EF corlin" . "Efcorbin" . "Efcortelan" . "Efcortelin" . "Eldecort" . "Eldercort" . "Epicort" . "Epiderm H" . "Esiderm H" . "Evacort" . "Ficortril" . "Fiocortril" . "Flexicort" . "Foille Insetti" . "Genacort" . "Glycort" . "Gyno-Cortisone" . "H-Cort" . "Heb Cort" . "Heb-Cort" . "Hemsol-HC" . "Hi-cor" . "Hidalone" . "Hidro-Colisona" . "Hycort" . "Hycortol" . "Hycortole" . "Hydracort" . "Hydrasson" . "Hydro-adreson" . "Hydro-colisona" . "Hydrocortal" . "Hydrocortistab" . "Hydrocortisyl" . "Hydrocortone" . "Hydroskin" . "Hytisone" . "Hytone" . "Hytone lotion" . "Incortin-H" . "Incortin-hydrogen" . "Kendall's compound F" . "Komed HC" . "Kyypakkaus" . "Lacticare HC" . "Lacticare-HC" . "Nasacort®" . "Kenalog®" . "Lactisona" . "Locoid" . "Locoid Lipocream" . "Lubricort" . "Maintasone" . "Medicort" . "Meusicort" . "Micort-hc" . "Mildison" . "Milliderm" . "Neosporin-H Ear" . "Nogenic HC" . "Nutracort" . "Nystaform-HC" . "Optef" . "Orabase HCA" . "Otobiotic" . "Otocort" . "Otosone-F" . "Pandel" . "Pediotic Suspension" . "Penecort" . "Permicort" . "Polcort H" . "Preparation H Hydrocortisone Cream" . "Prepcort" . "Prevex HC" . "Proctocort" . "Proctofoam" . "Protocort" . "Rectoid" . "Reichstein's Substance M" . "Remederm HC" . "Sanatison" . "Scalpicin Capilar" . "Schericur" . "Scheroson F" . "Sigmacort" . "Signef" . "Stie-cort" . "Stiefcorcil" . "Synacort" . "Systral Hydrocort" . "Tarcortin" . "Tetrahydro E" . "Tetrahydrocompound E" . "Texacort" . "Texacort lotion 25" . "Thyrotropic-releasing factor" . "Timocort" . "Transderma H" . "Traumaide" . "Uniderm" . "Urocortisone" . "VoSol HC" . "Vytone" . "Westcort" . "Zenoxone" . "9 .Alpha. Ff" . "9 Alpha Ff" . "9 alpha-Fludrocortisone" . "9 alpha-Fluorocortisol" . "9.Alpha.-Fluorocortisol" . "9.Alpha.-Fluorohydrocortisone" . "Alflorone" . "Astonin-H" . "F-COL" . "F-Cortef" . "Fludrocortisona [INN-Spanish]" . "Fludrocortisone Acetate" . "Fludrocortisonum [INN-Latin]" . "Fludrocortone" . "Fludrone" . "Fludronef" . "Fluodrocortisone" . "Fluohydrisone" . "Fluohydrocortisone" . "Fluorocortisol" . "Fluorocortisone" . "ZK5" . "Abbolactone" . "Acelat" . "Aldace" . "Aldactide" . "UCB4940" . "Aldactone A" . "Alderon" . "Aldopur" . "Almatol" . "Altex" . "Aquareduct" . "Deverol" . "Diatensec" . "Dira" . "Duraspiron" . "Espironolactona [INN-Spanish]" . "Euteberol" . "Lacalmin" . "Lacdene" . "Laractone" . "Melarcon" . "Nefurofan" . "Osyrol" . "Sagisal" . "Sincomen" . "SNL" . "Spiresis" . "Spiretic" . "Spiridon" . "Spiro-Tablinen" . "Spiroctan" . "Spiroctanie" . "Spiroderm" . "Spirolactone" . "Spirolakton" . "Spirolang" . "Spirolone" . "Spirone" . "Spironocompren" . "Spironolactone [BAN:INN:JAN]" . "Spironolactone A" . "Spironolactonum [INN-Latin]" . "Spironolattone [DCIT]" . "Sprioderm" . "Supra-puren" . "Suracton" . "Uractone" . "Urusonin" . "Verospirone" . "Verospirone Opianin" . "Xenalon" . "Diphaston" . "Dufaston" . "Duvaron" . "Gestatron" . "Gynorest" . "Prodel" . "Retrone" . "Terolut" . "Aragest" . "Verospiron" . "Duphaston®" . "Florinef®" . "LY333328" . "Aragest 5" . "Asconale" . "Clinofem" . "Clinovir" . "Colirest" . "Depo-Clinovir" . "Depo-Prodasone" . "Depo-Progestin" . "Depo-Promone" . "Depot-Medroxyprogesterone acetate" . "Farlutin" . "G-Farlutal" . "Gestapuran" . "Hematrol" . "Hysron" . "Indivina" . "Lunelle" . "Lutopolar" . "Lutoral" . "Med-Pro" . "Meprate" . "Metigestrona" . "MPA Gyn 5" . "Nadigest" . "Nidaxin" . "Novo-Medrone" . "Oragest" . "Perlutex" . "Perlutex Leo" . "Prodasone" . "Progestalfa" . "Progevera" . "Provera" . "Proverone" . "Ralovera" . "Repromap" . "Repromix" . "Sirprogen" . "Sodelut G" . "Veramix" . "Jadelle" . "Levonelle" . "Microlut" . "Microval" . "Mirena" . "Neogest" . "Next Choice" . "Norgeston" . "NorLevo" . "Norplant 2" . "Norplant II" . "Ovrette" . "Plan B" . "Postinor" . "Adomed" . "Lorex" . "Aspatofort" . "LifeExtension PS Caps" . "Valsarran" . "Lioresal Intrathecal" . "Nu-Baclofen" . "Pms-Baclofen" . "Betaxon" . "Betoptic S" . "Anectine" . "Sucostrin" . "Beloc" . "Lopresor" . "Metroprolol" . "Prelis" . "Selopral" . "Toprol-XL" . "Carbostesin" . "Marcaina" . "Marcaine HCL" . "Sensorcaine-MPF" . "Aircrit" . "Alinor" . "Altol" . "Anselol" . "Antipressan" . "Apo-Atenolol" . "Atcardil" . "Atecard" . "Atenblock" . "Atendol" . "Atenet" . "Ateni" . "Atenil" . "Atenol" . "Atenol 1A Pharma" . "Atenol Acis" . "Atenol AL" . "Atenol Atid" . "Atenol Cophar" . "Atenol CT" . "Atenol Fecofar" . "Atenol Gador" . "Atenol Genericon" . "Atenol GNR" . "Atenol Heumann" . "Atenol MSD" . "Atenol NM Pharma" . "Atenol Nordic" . "Atenol PB" . "Atenol Quesada" . "Atenol Stada" . "Atenol Tika" . "Atenol Trom" . "Atenol Von CT" . "Atenol-Mepha" . "Atenol-Ratiopharm" . "Atenol-Wolff" . "Atenolin" . "Atenomel" . "Atereal" . "Betablok" . "Betacard" . "Betasyn" . "Betatop GE" . "Blocotenol" . "Blokium" . "Cardaxen" . "Cardiopress" . "Corotenol" . "Anekain" . "Betadrenol®" . "Bupivan" . "Norplant®" . "Selo-Zok" . "Toprol XL" . "Baclon®" . "Kemstro®" . "Lioresal®" . "Betoptic®" . "Kerlone®" . "Sensorcaine®" . "Ophtorenin®" . "Lopressor®" . "Toprol®" . "Actinex®" . "Diovan®" . "Ambien®" . "Stilnoct®" . "CDP4940" . "Duraatenolol" . "Duratenol" . "Evitocor" . "Farnormin" . "Felo-Bits" . "Hipres" . "Hypoten" . "UCB-4940" . "Internolol" . "Jenatenol" . "Juvental" . "Lo-Ten" . "Loten" . "Lotenal" . "Zu-G1" . "Normalol" . "Noten" . "Oraday" . "Ormidol" . "Panapres" . "Plenacor" . "Premorine" . "Prenolol" . "gL7gH9" . "Prinorm" . "Scheinpharm Atenol" . "Seles Beta" . "Serten" . "Servitenol" . "Stermin" . "Tenidon" . "Teno-Basan" . "Tenobloc" . "Tenolol" . "Tenoprin" . "Tenormine" . "Tensimin" . "Tredol" . "Unibloc" . "Uniloc" . "Vascoten" . "Vericordin" . "Wesipin" . "Xaten" . "Antra" . "Audazol" . "Aulcer" . "Belmazol" . "Ceprandal" . "Danlox" . "Demeprazol" . "Desec" . "Dizprazol" . "Dudencer" . "Elgam" . "Emeproton" . "Epirazole" . "Erbolin" . "Exter" . "Gasec" . "Gastrimut" . "Gastroloc" . "Gibancer" . "Indurgan" . "Inhibitron" . "Inhipump" . "Lensor" . "Logastric" . "Lomac" . "Mepral" . "Miol" . "Miracid" . "Mopral" . "Morecon" . "Nilsec" . "Nopramin" . "Ocid" . "Olexin" . "Omapren" . "Omebeta 20" . "Omed" . "Omegast" . "Omepral" . "Omeprazon" . "Omeprol" . "Omesek" . "Omezol" . "Omezolan" . "Omid" . "Omisec" . "Omizac" . "Ompanyt" . "Ortanol" . "Osiren" . "Ozoken" . "Paprazol" . "Parizac" . "Pepticum" . "Pepticus" . "Peptilcer" . "Prazentol" . "Prazidec" . "Prazolit" . "Procelac" . "Proclor" . "Prysma" . "Ramezol" . "Regulacid" . "Result" . "Sanamidol" . "Secrepina" . "Tedec Ulceral" . "Ulceral" . "Ulcesep" . "Ulcometion" . "Ulcozol" . "Ulcsep" . "Ulsen" . "Ultop" . "Ulzol" . "Victrix" . "Zefxon" . "Zegerid" . "Zepral" . "Zimor" . "Zoltum" . "Alerlisin" . "Cetryn" . "Formistin" . "Hitrizin Film Tablet" . "Setir" . "Virlix" . "Ziptek" . "Zirtek" . "Zyrlex" . "Zyrtec Syrup" . "Zyrtec-D" . "Aldaban" . "Allerplus" . "Cyater" . "Teldane" . "Teldanex" . "Terdin" . "Terfex" . "Alopexil" . "Tenormin®" . "Zyrtec®" . "Reactine®" . "Losec®" . "Prilosec®" . "Seldane®" . "Triludan®" . "Alostil" . "Amexidil" . "Apo-Gain" . "Gen-Minoxidil" . "Loniten" . "Lonolox" . "Minodyl" . "Minoxigaine" . "Minoximen" . "Mintop" . "Pierminox" . "Prexidil" . "Regaine" . "Rogaine Extra Strength for Men" . "Rogaine for Men" . "Rogaine for Women" . "Theroxidil" . "Tricoxidil" . "Vanarex" . "Venen®" . "Ademin" . "Ademine" . "Diren" . "Ditak" . "Diucelpin" . "Diurene" . "Dyren" . "Jatropur" . "Noridil" . "Noridyl" . "Pterofen" . "Pterophene" . "Taturil" . "Teriam" . "Teridin" . "Tri-Span" . "Triampur" . "Triamteril" . "Triamteril Complex" . "Trispan" . "Triteren" . "Urocaudal" . "Nymalize" . "Periplum" . "Zometa Concentrate" . "Baymycard" . "Nisocor" . "Syscor" . "Zadipina" . "Rosiglizole" . "Myidyl" . "Triprolidine HCL" . "Cocculin" . "Cocculus" . "Coques du levant" . "Fish berry" . "Indian berry" . "Oriental berry" . "Adofen" . "Animex-On" . "Eufor" . "Fluctin" . "Fluoxeren" . "Fluval" . "Fontex" . "Foxetin" . "Portal" . "Prozac Weekly" . "Pulvules" . "Reneuron" . "Sarafem" . "CA028_0496" . "Adazine" . "Fluopromazine" . "Psyquil" . "Siquil" . "Trifluopromazine" . "Atnaa" . "Atropair" . "Atropin" . "Atropin-flexiolen" . "Atropine Care" . "Atropine Sulfate Ansyr Plastic Syringe" . "Atropine Sulfate S.O.P." . "Atropinol" . "Atropisol" . "Atrosulf" . "Equipin" . "Eyesules" . "Homapin-10" . "Homapin-5" . "I-Tropine" . "Isopto Atropine" . "Isopto-atropine" . "Minims Atropine" . "Ocu-Tropine" . "Tropine tropate" . "Troyl tropate" . "Farmotal" . "Intraval" . "Nesdonal" . "Thiothal" . "Cipril" . "Kinestase" . "Pridesia" . "Propulsid Quicksolv" . "Risamal" . "Syspride" . "Doburil" . "Fluidil" . "Renazide" . "Valmiran" . "Cardene IV" . "Cardene SR" . "Adiuretin" . "Concentraid" . "DDAVP" . "Minirin" . "PI3Kdelta-IN-2" . "Acenalin" . "Enteropride" . "Prepulsid®" . "Anhydron®" . "Rogaine®" . "Sular®" . "Dytac®" . "Atropen®" . "Propulsid®" . "Tracleer®" . "Aquirel®" . "Prozac®" . "Cardene®" . "Nimotop®" . "Avandia®" . "Trapanal®" . "Dyrenium®" . "Actidil®" . "Accolate®" . "Aclasta®" . "Zometa®" . "Arthrotec" . "Acalix" . "Adizem" . "Altiazem" . "Anginyl" . "Angizem" . "Anoheal" . "Apo-Diltiaz" . "Britiazim" . "Bruzem" . "Calcicard" . "Cardizem CD" . "Cardizem SR" . "Cardizen LA" . "Cartia XT" . "Citizem" . "Cormax" . "Deltazen" . "Dilacor" . "Diladel" . "Dilcontin" . "Dilpral" . "Dilrene" . "Dilt-cd" . "Dilta-Hexal" . "Diltia" . "Dilticard" . "Dilzem" . "Dilzen" . "Endrydil" . "Herbesser" . "Incoril AP" . "Masdil" . "Novo-Diltazem" . "Nu-Diltiaz" . "Syn-Diltiazem" . "Tiamate" . "Tiazac" . "Tiazac Tildiem" . "Tiazac XC" . "Viazem" . "SU-11248" . "Anhydrohydroxynorprogesterone" . "Anovulatorio" . "Anovule" . "Aygestin" . "Binovum" . "Brevicon" . "Brevinor" . "Brevinor 21" . "Brevinor 28" . "Brevinor-1 21" . "Brevinor-1 28" . "Camila" . "Ciclovulan" . "Conceplan" . "Conludaf" . "Conludag" . "Demulen" . "ENT" . "Errin" . "Estrinor" . "Ethinylnortestosterone" . "Ethynylmortestosterone" . "Ethynylnortestosterone" . "Gencept" . "Genora" . "Gestest" . "Jenest" . "Jenest-28" . "Loestrin" . "Loestrin 24 Fe" . "Menzol" . "Microneth" . "Micronett" . "Micronovum" . "Milli" . "Mini-Pe" . "Mini-Pill" . "Minovlar" . "Nor-Q.D." . "Nor-Qd" . "Noraethisteronum" . "Noralutin" . "Norcept" . "Norcept-E" . "Norcolut" . "Noresthisterone" . "Norethadrone" . "Norethin" . "Norethin 1/35 E" . "Norethin 1/50 M" . "Norethindrone Acetate" . "Norethindrone Norethisterone" . "Norethisteron" . "Norethisterone" . "Norethisterone [Progestins]" . "Norethisteronum [INN-Latin]" . "Norethyndron" . "Norethynodron" . "Norethynodrone" . "Noretisterona [INN-Spanish]" . "Noretisterone [Dcit]" . "Norfor" . "Norgestin" . "Noriday 28" . "Norimin" . "Norlutate" . "Norluten" . "Norlutin" . "Norluton" . "Normapause" . "Norpregneninlone" . "Norpregneninolone" . "Norpregneninotone" . "Orlest" . "Ortho 1 35" . "Ortho 7 7 7" . "Ortho-Novum 1 35" . "Ortho-Novum 1 50" . "Ortho-Novum 7 7 7" . "Ovysmen" . "Ovysmen 0.5 35" . "Ovysmen 1 35" . "Palonyl" . "Perovex" . "Primolut N" . "Nexavar®" . "Glivec®" . "Tyverb®" . "Sprycel®" . "Cardizem®" . "Dilacor-XR®" . "Tykerb®" . "Tasigna®" . "Cytotec®" . "Noriday®" . "Zemplar®" . "Sutent®" . "Primolut-N" . "Proluteasi" . "Synphase" . "Synphasic 28" . "Tri-Norinyl" . "Triella" . "Trinovum" . "Trinovum 21" . "Utovlan" . "Utovlar" . "VOTUBIA" . "Safyral" . "Yaz" . "Viveta" . "Almazine" . "Alzapam" . "Anxiedin" . "Aplacassee" . "Bonatranquan" . "Delormetazepam" . "Emotival" . "Idalprem" . "Lorabenz" . "Lorax" . "Loraz" . "Lorazepam Intensol" . "Lorsilan" . "Pro Dorm" . "Psicopax" . "Punktyl" . "Quait" . "Securit" . "Sedatival" . "Sedazin" . "Somagerol" . "Tavor" . "Temesta" . "Wypax" . "Adronat" . "Alendros" . "Arendal" . "compound 30" . "Onclast" . "Inversine" . "Inversine hydrochloride" . "Mecamine" . "Mecamine hydrochloride" . "Mekamin hydrochloride" . "Mekamine" . "Mevasin hydrochloride" . "Mevasine" . "Revertina" . "Versamine" . "Apo-Verap" . "Arpamyl" . "Berkatens" . "Calan" . "Calan SR" . "Cardiagutt" . "Cardibeltin" . "Cordilox" . "Covera-HS" . "Dignover" . "Dilacoran" . "Drosteakard" . "Geangin" . "Iproveratril" . "Isoptimo" . "Isoptin" . "Isoptin SR" . "Novo-Veramil" . "NU-Verap" . "Quasar" . "Univer" . "Vasolan" . "Veracim" . "Veramex" . "Veraptin" . "Verelan" . "Verelan PM" . "Verexamil" . "Anandron" . "Nilandrone" . "Nilutamida [Spanish]" . "Nilutamide [Usan:Ban:Inn]" . "Nilutamidum [Latin]" . "Citofen" . "Crisafeno" . "Diemon" . "Gen-Tamoxifen" . "Istubol" . "Noltam" . "Nolvadex-D" . "Nourytam" . "Novo-Tamoxifen" . "Oncomox" . "PMS-Tamoxifen" . "Retaxim" . "Tamizam" . "Tamofen" . "Tamone" . "Tamoxasta" . "Tamoxen" . "Valodex" . "Zemide" . "Aldazine" . "Mellaril-S" . "Mellarit" . "Metlaril" . "Novoridazine" . "Orsanil" . "Ridazin" . "Ridazine" . "Sonapax" . "Sonapax Hydrochloride" . "Stalleril" . "Thioridazine Hcl Intensol" . "Thioridazine, Prolongatum" . "Tioridazin" . "Chronogesic" . "Bonviva" . "Adfeed" . "Antadys" . "Apo-Flurbiprofen" . "Versed®" . "Nilandron®" . "Mallorol" . "Meleril" . "Remodulin®" . "Mellaril Hydrochloride" . "Mellerets" . "Melleril" . "Fosamax®" . "Yasmin®" . "Afinitor®" . "Certican®" . "Zortress®" . "Ansaid®" . "Boniva®" . "Bondronat®" . "Ativan®" . "Dormicum®" . "Sufenta®" . "Nolvadex®" . "Torisel®" . "Securon®" . "Cebutid" . "Flurbiprofen Axetil" . "Flurofen" . "Froben Sr" . "Novo-Flurprofen" . "Nu-Flurbiprofen" . "Ocufen" . "Stayban" . "Zepolas" . "Allocaine" . "Anticort" . "Chloroprocaine Hcl" . "Diethylaminoethyl P-Aminobenzoate" . "Duracaine" . "Gerovital" . "Gerovital H-3" . "Jenacain" . "Jenacaine" . "Neocaine" . "Nesacaine" . "Nissocaine" . "Norocaine" . "Novocaine" . "P-Aminobenzoyldiethylaminoethanol" . "Pfizerpen-As" . "Procain" . "Procaine Hcl" . "Procaine Hydrochloride" . "Procaine, Base" . "Scurocaine" . "Spinocaine" . "Vitamin H3" . "gentamicin sulfate" . "VLX-1570" . "compound 10 [US20160244432]" . "LY-333328" . "GSK3684934" . "Vasoxine" . "Ancolan" . "Ancolon" . "Antivert/25" . "Antivert/50" . "Bonadettes" . "Bonamine" . "Bonine" . "Calmonal" . "Chiclida" . "Diadril" . "Dramamine II" . "Histamethine" . "Histamethizine" . "Histametizine" . "Histametizyne" . "Itinerol" . "Marex" . "Meclicot" . "Meclizine Hcl" . "Meclozine" . "Medivert" . "Monamine" . "Navicalm" . "Neo-Istafene" . "Neo-Suprimal" . "Neo-Suprimel" . "Parachloramine" . "Peremesin" . "Postafene" . "Ravelon" . "Sabari" . "Siguran" . "Subari" . "Suprimal" . "Travelon" . "Veritab" . "Vomisseis" . "Vomissels" . "Transderm-Scop" . "Aerrane" . "Ethane" . "Forene" . "Isoflurane [Usan:Ban:Inn:Jan]" . "Isofluranum [INN-Latin]" . "Alcomicin" . "Apogen" . "Bristagen" . "G-Mycin" . "G-Myticin" . "Garamycin Otic Solution" . "Genoptic Liquifilm" . "Genoptic S.O.P." . "Gentacidin" . "Gentafair" . "Gentak" . "Gentamar" . "Jenamicin" . "Ocu-Mycin" . "Spectro-Genta" . "U-gencin" . "Alboral" . "Aliseum" . "Alupram" . "Amiprol" . "An-Ding" . "Ansiolin" . "Ansiolisina" . "Apaurin" . "Apo-Diazepam" . "Apozepam" . "Armonil" . "Assival" . "Atensine" . "Atilen" . "Bensedin" . "Bialzepam" . "Calmocitene" . "Calmpose" . "Cercine" . "Ceregulart" . "Condition" . "Diacepan" . "Dialag" . "Dialar" . "Diapam" . "Diazemuls" . "Diazemulus" . "Diazepam Intensol" . "Diazepan" . "Diazetard" . "Dienpax" . "Dipam" . "Dipezona" . "Dizac" . "Domalium" . "Duksen" . "Methoxamin" . "Quarzan®" . "Diastat®" . "Corlopam®" . "Froben®" . "Forane®" . "Dramamine®" . "Antivert®" . "Sea-Legs®" . "Vasoxyl" . "Novocain®" . "Zemuron®" . "Duxen" . "E-Pam" . "Eridan" . "Eurosan" . "Evacalm" . "Faustan" . "Faustan," . "Freudal" . "Frustan" . "Gewacalm" . "Gihitan" . "Kabivitrum" . "Kiatrium" . "LA III" . "La-Iii" . "Lamra" . "Lembrol" . "Levium" . "Liberetas" . "Mandrozep" . "Morosan" . "Neurolytril" . "Noan" . "Novazam" . "Novo-Dipam" . "Paceum" . "Paranten" . "Paxate" . "Paxel" . "Plidan" . "Pms-Diazepam" . "Pro-Pam" . "Q-Pam" . "Q-Pam Relanium" . "Quetinil" . "Quiatril" . "Quievita" . "Relaminal" . "Relanium" . "Renborin" . "Ruhsitus" . "Saromet" . "Sedapam" . "Sedipam" . "Seduksen" . "Seduxen" . "Serenack" . "Serenamin" . "Serenzin" . "Servizepam" . "Setonil" . "Sibazon" . "Sibazone" . "Solis" . "Sonacon" . "Stesolid" . "Stesolin" . "Tensopam" . "Tranimul" . "Tranqdyn" . "Tranquase" . "Tranquirit" . "Tranquo-Puren" . "Tranquo-Tablinen" . "Umbrium" . "Unisedil" . "Usempax Ap" . "Valaxona" . "Valeo" . "Valiquid" . "Valitran" . "Valrelease" . "Vatran" . "Velium" . "Vival" . "Vivol" . "Zetran" . "Zipan" . "compound 9 [PMID: 15261275]" . "ISIS 396443" . "Spinraza®" . "ASO-10-27" . "ISIS-SMNRx" . "Rubraca®" . "Ionis-SMNrx" . "ISIS396443" . "Eucrisa®" . "Brethaire" . "Intrarosa®" . "Lumicef®" . "BTS-24332" . "Actonel 150" . "Benet" . "Apo-ondansetron" . "Novo-ondansetron" . "PHL-ondansetron" . "PMS-ondansetron" . "Ratio-ondansetron" . "Sandoz ondansetron" . "Zofran ODT" . "Zophren" . "Zudan" . "Endantadine" . "Gen-Amantadine" . "Mantadine" . "Pk-Merz" . "Deprilept" . "Ludiomil" . "Psymion" . "Advanced pain relief callus removers" . "Advanced pain relief corn removers" . "Clear away wart remover" . "Compound W" . "Dr. Scholl's Callus Removers" . "Dr. Scholl's Corn Removers" . "Dr. Scholl's Wart Remover Kit" . "Duofil Wart Remover" . "Duoplant" . "Freezone" . "Ionil" . "Keralyt" . "Kyselina 2-hydroxybenzoova" . "Kyselina salicylova" . "Psoriacid-s-stift" . "Retarder SAX" . "Retarder W" . "Rutranex" . "Salicylic acid collodion" . "Salicylic acid soap" . "Saligel" . "Salonil" . "SAX" . "Stri-dex" . "Arial" . "Actonel®" . "Nubain®" . "Aeromax" . "Astmerole" . "Brican" . "Symadine®" . "Valium®" . "dobutamine hydrochloride" . "Zofran®" . "Brethine®" . "Bricanyl®" . "8-hour Bayer" . "A.S.A. Empirin" . "Acenterine" . "Acesal" . "Acetal" . "Aceticyl" . "Acetisal" . "Acetol" . "Acetonyl" . "Acetosalin" . "Acetylin" . "Acetylsal" . "Acimetten" . "Acisal" . "Acylpyrin" . "Adiro" . "Asagran" . "Asatard" . "Ascoden-30" . "Aspalon" . "Aspec" . "Aspergum" . "Aspirdrops" . "Aspirine" . "Aspro" . "Asteric" . "Bayer Extra Strength Aspirin For Migraine Pain" . "Benaspir" . "Bi-prin" . "Bialpirina" . "Bialpirinia" . "Bufferin" . "Cemirit" . "Claradin" . "Clariprin" . "Colfarit" . "Contrheuma retard" . "Coricidin" . "Crystar" . "Decaten" . "Delgesic" . "Dolean pH 8" . "Duramax" . "Easprin" . "ECM" . "Ecolen" . "Ecotrin" . "Empirin" . "Endydol" . "Entericin" . "Enterophen" . "Enterosarein" . "Enterosarine" . "Entrophen" . "Extren" . "Globentyl" . "Globoid" . "Helicon" . "Idragin" . "Levius" . "Measurin" . "Micristin" . "Neuronika" . "Novid" . "Nu-seals" . "Nu-seals aspirin" . "Persistin" . "Pharmacin" . "Pirseal" . "Polopiryna" . "Premaspin" . "Rheumintabletten" . "Rhodine" . "Rhonal" . "Salacetin" . "Salcetogen" . "Saletin" . "Solfrin" . "Solprin" . "Solprin acid" . "Solpyron" . "Spira-Dine" . "St. Joseph" . "St. Joseph Aspirin for Adults" . "Supac" . "Tasprin" . "Temperal" . "Triple-sal" . "Xaxa" . "Yasta" . "Blockin L" . "Blocklin L" . "TT-063" . "YY20394" . "Glauco-Visken" . "Pynastin" . "Zalaplon" . "Foradile" . "Oxeze Turbuhaler" . "Oxeze Turbuhaler Foradil" . "Accuneb" . "Airomir" . "Asmaven" . "Asmol" . "Asthalin" . "Asthavent" . "Buventol" . "Cetsim" . "Cobutolin" . "Ecovent" . "Loftan" . "ProAir" . "ProAir HFA" . "Proventil HFA" . "Rotahaler" . "Salamol" . "Salbulin" . "Salbutard" . "Salbutine" . "Salbuvent" . "Solbutamol" . "Venetlin" . "Ventalin Inhaler" . "Ventolin HFA" . "Ventolin Inhaler" . "Ventolin Rotacaps" . "Volma" . "Volmax" . "Xopenex" . "Xopenex HFA" . "Mechotane" . "Mechothane" . "Mecothane" . "Mictone" . "Pectobloc" . "Pinbetol" . "Aerolin" . "Sultanol" . "Sonata®" . "Acetophen®" . "Aspirin®" . "Duvoid®" . "Sensipar®" . "Foradil®" . "Oxeze/Oxis®" . "Serevent®" . "Mictrol" . "Myocholine" . "Myotonachol" . "Myotonine Chloride" . "Urabeth" . "Urecholine Chloride" . "Uro-Carb" . "Agon" . "AGON SR" . "Feloday" . "Felodur ER" . "Felogard" . "Flodil" . "Hydac" . "Lexxel" . "Modip" . "Munobal" . "Munobal Retard" . "Penedil" . "Perfudal" . "Plendil" . "Plendil Depottab" . "Plendil ER" . "Plendil Retard" . "Preslow" . "Prevex" . "Splendil" . "Benecid" . "(S)-flurbiprofen" . "Probecid" . "Proben" . "Act-3" . "Actiprofen" . "Adex" . "Adran" . "Advil Liqui-Gels" . "Aktren" . "Alaxan" . "Alges-X" . "Algoflex" . "Algofren" . "Alivium" . "Amersol" . "Amibufen" . "Anadin Ibuprofen" . "Anadin Joint Pain" . "Anco" . "Andran" . "Anflagen" . "Apo-Ibuprofen" . "Apsifen" . "Apsifen-F" . "Arthrofen" . "Artofen" . "Artril 300" . "Betagesic" . "Betaprofen" . "Bluton" . "Bonifen" . "Brufanic" . "Brufen Retard" . "Brufort" . "Buburone" . "Bugesic" . "Buprovil" . "Burana" . "Butylenin" . "Caldolor" . "Calprofen" . "Cap-Profen" . "Children's Advil" . "Children's Elixsure" . "Children's Ibuprofen" . "Children's Motrin" . "Codral" . "Dalsy" . "Dismenol" . "Diverin" . "Dolgirid" . "Dolgit" . "Dolo-Dolgit" . "Dolo-Spedifen" . "Dolocyl" . "Dolofort" . "Doloraz" . "Dolormin" . "Dorival" . "Ebufac" . "EmuProfen" . "Epobron" . "Espidifen" . "Eve" . "Femadon" . "Fenbid" . "Fenbid Spansule" . "Fenpaed" . "Finalflex" . "Galprofen" . "Haltran" . "Herron Blue" . "i-profen " . "Ibalgin" . "Ibrofen and Ibugan" . "Ibu" . "Ibu-Attritin" . "IBU-Ratiopharm" . "Ibu-Slo" . "Ibu-Tab" . "Ibu-Tab 200" . "Ibu-Vivimed" . "Ibufen" . "Ibuflam" . "Ibugel" . "Ibugesic" . "IbuHEXAL" . "Ibuleve" . "Ibum" . "Ibumax" . "Ibumetin" . "Ibumidol" . "Ibupain" . "Ibuprin" . "Ibuprocin" . "Ibuprohm" . "Ibuprom" . "Ibuprosyn" . "Ibuprox" . "Ibustar" . "Ibutid" . "Ibux" . "Ibuxin" . "Ifen" . "Inabrin" . "Inoven" . "Ipren" . "Junior Strength Advil" . "Junior Strength Ibuprofen" . "Junior Strength Motrin" . "Kratalgin" . "Lamidon" . "Lebrufen" . "Lidifen" . "Liptan" . "Urecholine®" . "Plandil®" . "Renedil®" . "Brufen®" . "Namenda®" . "Probalan®" . "Lotem" . "Medicol" . "Medipren" . "Midol" . "Midol 200" . "Moment" . "Motrin" . "Mynosedin" . "Mypaid" . "Myprodol" . "Napacetin" . "Narfen" . "Naron Ace " . "Neobrufen" . "NeoProfen" . "Nobfelon" . "Nobfen" . "Nobgen" . "Norvectan" . "Novogent N" . "Novoprofen" . "Nuprin" . "Nureflex" . "Orbifen" . "Panafen" . "Pantrop" . "Paxofen" . "Pedia-Profen" . "Pediaprofen" . "Pediatric Advil" . "Perifar" . "Profen" . "Profin" . "Rafen" . "Ranfen" . "Rapidol" . "Ratiodolor" . "Rebugen" . "Rimafen" . "Roidenin" . "Rufen" . "Salvarina" . "Seclodin" . "Solpaflex" . "Spedifen" . "Speedpain NANO" . "Spidifen" . "Suspren" . "Tab-Profen" . "Tabalon" . "Tefin" . "Trendar" . "Unafen" . "Upfen" . "Urem" . "Bayotensin" . "Baypress" . "Bylotensin" . "Deiten" . "Nidrel" . "Nitrepin" . "Ditropan Xl" . "Oxytrol" . "Aerolone" . "Aleudrin" . "Aleudrine" . "Aludrin" . "TAK0715" . "Asiprenol" . "Asmalar" . "Assiprenol" . "Bellasthman" . "Bronkephrine" . "Euspiran" . "Isadrine" . "Isonorene" . "Isonorin" . "Isorenin" . "Isuprel Mistometer" . "Isupren" . "Neo-Epinine" . "Neodrenal" . "Norisodrine" . "Norisodrine Aerotrol" . "Novodrin" . "Proternol" . "Saventrine" . "Vapo-Iso" . "Atogal" . "Cardyl" . "Faboxim" . "Hipolixan" . "Lipotropic" . "Lipovastatinklonal" . "Liprimar" . "Lowden" . "Normalip" . "Sincol" . "Sortis" . "Torvacard" . "Torvast" . "Totalip" . "Tulip" . "Vastina" . "Xanator" . "Xarator" . "Zurinel" . "Astende" . "Cirantan" . "Cresadex" . "Provisacor" . "Razel" . "Rosedex" . "Rosimol" . "Rosumed" . "Rosustatin" . "Rosuvas" . "Rosuvast" . "Rosvel" . "Rovartal" . "Simestat" . "Sinlip" . "Visacor" . "Vivacor" . "Butramin" . "Medaria" . "Reductil" . "Daktarin" . "Femizol-M" . "M-zole 3 Combination Pack" . "M-zole 7 Dual Pack" . "Micatin" . "Miconazole 3" . "Miconazole 3 Combination Pack" . "Miconazole 7" . "Miconazole 7 Combination Pack" . "Miconazole Nitrate" . "Miconazole Nitrate Combination Pack" . "Miconazole-7" . "Micozole" . "Monazole 7" . "Respifral" . "Ditropan®" . "Lipitor®" . "Nurofen®" . "Isuprel®" . "Medihaler-Iso®" . "Livostin®" . "Crestor®" . "Meridia®" . "Monistat 1 Combination Pack" . "Monistat 3" . "Monistat 3 Combination Pack" . "Monistat 3 Dual-Pak" . "Monistat 3 Vaginal Ovules" . "Monistat 5" . "Monistat 5 Tampon" . "Monistat 7" . "Monistat 7 Combination Pack" . "Monistat 7 Dual-Pak" . "Monistat 7 Vaginal Suppositories" . "Monistat Dual- PAK" . "Monistat IV" . "Monistat-3 Combination Pack" . "Monistat-Derm" . "Novo-Miconazole Vaginal Ovules" . "Vusion" . "Zimycan" . "Ecostatin" . "Ecostatin cream" . "Ecostatin Vaginal Ovules" . "Gyno-Pevaryl" . "Gyno-Pevaryl 150" . "Ifenec" . "Palavale" . "Pevaryl" . "Spectazole cream" . "Actost" . "Anestan" . "Chalothane" . "Fluktan" . "Halan" . "Halotan" . "Halothane" . "Halsan" . "Narcotan" . "Narcotane" . "Narkotan" . "Phthorothanum" . "Rhodialothan" . "Rythmol SR" . "Almarytm" . "Apocard" . "Ecrinal" . "Flécaine" . "Flumazepil" . "Lanexat" . "Mazicon" . "Romazicon" . "Casodex®" . "Bendopa" . "Brocadopa" . "Cidandopa" . "Deadopa" . "Dopaflex" . "Dopaidan" . "Dopal" . "Dopal-Fher" . "Dopalina" . "Dopar" . "Doparkine" . "Doparl" . "Dopasol" . "Dopaston" . "Dopastral" . "Doprin" . "Eldopal" . "Eldopar" . "Eldopatec" . "Eurodopa" . "Helfo-Dopa" . "Insulamina" . "Laradopa" . "Larodopa" . "Ledopa" . "Levedopa" . "Levopa" . "Maipedopa" . "Parda" . "Pardopa" . "Prodopa" . "Syndopa" . "Veldopa" . "Weldopa" . "Bolutol" . "Cholespid" . "Decrelip" . "Fibratol" . "Fibrocit" . "Gemfibril" . "Gemfibromax" . "Gemlipid" . "Genlip" . "Lipozid" . "Lipur" . "Lopid" . "Novo-Gemfibrozil" . "Nu-Gemfibrozil" . "Alzumab®" . "Mioblock" . "Primun" . "Roipnol" . "Algix" . "T1h" . "Sustol®" . "Deniban" . "Solian" . "Carnexiv®" . "i-13" . "compound 13 [PMID: 20206532]" . "CDZ173" . "Dantrium®" . "Coreg CR" . "Berotec®" . "Bolvidon" . "Tolvon" . "Moban®" . "Corgard®" . "Anabet" . "Pavulon®" . "Solgol" . "Neupro®" . "Thelin®" . "Vascor®" . "CDZ-173" . "Coreg®" . "CDZ 173" . "Spectazole®" . "Arcoxia®" . "Tambocor®" . "Anexate®" . "Narcozep®" . "Rohypnol®" . "Jezil®" . "Gen-Fibro®" . "Fluothane®" . "Prexige®" . "Selzentry®" . "Celsentri®" . "Norval®" . "Actos®" . "Rythmol®" . "Example 67 [WO2012004299]" . "Cranoc" . "Lescol XL" . "Elisor" . "Mevalotin" . "Mevinolin" . "Oliprevin" . "Pravaselect" . "Selectin" . "Selipran" . "Vasten" . "Cholestat" . "Coledis" . "Colemin" . "Corolin" . "Denan" . "Labistatin" . "Lipex" . "Lodales" . "Medipo" . "Nivelipol" . "Pantok" . "Rendapid" . "Simovil" . "Sinvacor" . "Sivastin" . "Synvinolin" . "Vasotenal" . "Zocord" . "Panretin Gel" . "Panretyn" . "Panrexin" . "Renova" . "Retin-A" . "Retin-A Micro" . "Vesanoid" . "Adenocor" . "Adenosin" . "Adensoine" . "Boniton" . "Myocol" . "Nucleocardyl" . "Pallacor" . "Sandesin" . "Aberel" . "Accutane" . "Airol" . "Aknefug" . "Aknoten" . "Amnesteem" . "Atra-IV" . "Claravis" . "Dermairol" . "Eudyna" . "Lsotretinoin" . "Retisol-A" . "Solage" . "Sotret" . "Stieva-A" . "Stieva-a Forte" . "Vitinoin" . "Adenovite" . "Cardiomone" . "Lycedan" . "My-B-Den" . "Phosaden" . "Phosphaden" . "Ketek®" . "Levviax®" . "RU 66647" . "RU-66647" . "RU66647" . "HMR-3647" . "GSK-3684934" . "CCX140" . "Buprel" . "Probuphine" . "Coducept" . "Abboticin" . "Abomacetin" . "Ak-mycin" . "Akne-Mycin" . "Aknin" . "Benzamycin" . "Benzamycin Pak" . "Bristamycin" . "Dotycin" . "Dumotrycin" . "E-Base" . "E-Glades" . "E-Solve 2" . "Emgel" . "EMU" . "Eritrocina" . "Ermycin" . "Ery-Sol" . "Ery-Tab" . "Eryc" . "Eryc 125" . "Eryc Sprinkles" . "Erycen" . "Erycette" . "Erycin" . "Erycinum" . "Eryderm" . "Erygel" . "Erymax" . "Erypar" . "Erythra-Derm" . "Erythro" . "Erythro-Statin" . "Erythrogran" . "Erythroguent" . "Erythromast 36" . "Erythromid" . "Erythromycin A" . "Erythromycin B" . "Ethril 250" . "Ilocaps" . "Ilosone" . "Ilotycin" . "Ilotycin Gluceptate" . "IndermRetcin" . "Kesso-Mycin" . "Mephamycin" . "Pantomicina" . "Pfizer-e" . "Propiocine" . "R-P Mycin" . "Robimycin" . "Sansac" . "Stiemycin" . "Taimoxin-F" . "Theramycin Z" . "Adenocard®" . "Adenoscan®" . "Panretin®" . "Mozobil®" . "Buprenex®" . "Codicept®" . "E-Mycin®" . "Lescol®" . "Canef®" . "Temgesic®" . "Pravachol®" . "Lipostat®" . "Zocor®" . "Torlamicina" . "Wemid" . "Wyamycin S" . "Montair" . "GSK2269557" . "Singular" . "Astramorph PF" . "Avinza" . "Depodur" . "Dulcontin" . "Duramorph PF" . "Duromorph" . "Epimorph" . "Kadian" . "l-Morphine" . "M-Eslon" . "M.O.S" . "Meconium" . "Morfina" . "Morphia" . "Morphine Extra-Forte" . "Morphine Forte" . "Morphine H.P" . "Morphinism" . "Morphium" . "Moscontin" . "MS/L" . "MS/S" . "MSIR" . "Nepenthe" . "OMS Concentrate" . "Ospalivina" . "Rescudose" . "RMS Uniserts" . "Roxanol" . "Roxanol 100" . "Roxanol UD" . "Statex Drops" . "Nadide" . "Biosol" . "Bykomycin" . "Endomixin" . "Fradiomycin" . "Fradiomycin Sulfate" . "Fraquinol" . "Lidamycin Creme" . "Myacine" . "Myacyne" . "Mycifradin" . "Mycifradin-N" . "Myciguent" . "Neo-Fradin" . "Neo-Mantle Creme" . "Neobiotic" . "Neobrettin" . "Neofracin" . "Neolate" . "Neomix" . "Nivemycin" . "Tuttomycin" . "Vonamycin Powder V" . "Flolan" . "Agolutin" . "Colprosterone" . "Crinone" . "Cyclogest" . "Cyclogesterin" . "Gesterol" . "Gestone" . "Prochieve" . "Progestasert" . "Progestogel" . "Progestol" . "Progestosol" . "Prolidon" . "A-Mulsal" . "A-Sol" . "A-Vi-Pel" . "A-Vitan" . "Acon" . "Afaxin" . "Agiolan" . "Agoncal" . "Alcovit A" . "alin" . "Alphalin" . "Alphasterol" . "Anatola" . "Anatola A" . "Anti-Infective vitamin" . "Antixerophthalmic vitamin" . "Aoral" . "Apexol" . "Apostavit" . "Aquasol A Parenteral" . "Aquasynth" . "asterol" . "Atars" . "Atav" . "Avibon" . "Avita" . "Avitol" . "Axerol" . "Axerophthol" . "Bentavit A" . "Biosterol" . "Chocola A" . "Cylasphere" . "Del-VI-A" . "Disatabs Tabs" . "Dofsol" . "Dohyfral A" . "Epiteliol" . "Hi-A-Vita" . "Homagenets Aoral" . "Homagenets aorl" . "Lard Factor" . "Mvc Plus" . "Myvpack" . "Nio-A-Let" . "Oleovitamin A" . "Ophthalamin" . "Plivit A" . "Prepalin" . "Retrovitamin A" . "Ro-a-vit" . "Sehkraft A" . "Solu-A" . "Super A" . "Testavol" . "Testavol S" . "Thalasphere" . "tROL" . "Vaflol" . "Vafol" . "Veroftal" . "Vi-a" . "Vi-Alpha" . "Vi-Dom-A" . "Vio-A" . "Trimesta®" . "Cytotec®" . "Arthrotec®" . "Oramorph®" . "Ms Contin®" . "Neo-Rx®" . "Utrogestan®" . "Vitavel A" . "Vitpex" . "Vogan" . "Vogan-Neu" . "Vogan-nu" . "Zineb" . "Zinosan N" . "Katasuccin" . "Kyselina jantarova" . "GSK-2269557" . "Aphrodyne" . "Baron-X" . "Dayto himbin" . "Thybine" . "Yocon" . "Yohimar" . "Yohimex" . "Yoman" . "Yovital" . "Black Leaf" . "Black Leaf 40" . "Campbell's Nico-Soap" . "Commit" . "Destruxol Orchid Spray" . "Emo-Nik" . "Flux Maag" . "Fumetobac" . "Habitrol" . "Mach-Nic" . "Niagara P.A. Dust" . "Nic-Sal" . "Nico-Dust" . "Nico-Fume" . "Nicocide" . "Nicoderm" . "Nicoderm Cq" . "Nicorette Plus" . "Nicotin" . "Nicotina" . "Nicotine Polacrilex" . "Nicotrol Inhaler" . "Nicotrol Ns" . "Nikotyna" . "Ortho N-4 Dust" . "Ortho N-5 Dust" . "Prostep" . "Tendust" . "Angilol" . "Apsolol" . "Avlocardyl" . "compound 264 [WO2015154039A2]" . "Beprane" . "Berkolol" . "Beta-Neg" . "Beta-Propranolol" . "Beta-Tablinen" . "Beta-Timelets" . "Betachron" . "Betalong" . "Cardinol" . "Caridolol" . "Corpendol" . "Deralin" . "Dociton" . "Duranol" . "Efektolol" . "Elbrol" . "Etalong" . "Euprovasin" . "Frekven" . "Inderal La" . "Inderide" . "Indobloc" . "Innopran XL" . "Intermigran" . "Kemi S" . "Migrastat" . "Obsidan" . "Oposim" . "Prano-Puren" . "Propanix" . "Prophylux" . "Propranolol Hcl Intensol" . "Propranur" . "Proprasylyt" . "Pylapron" . "Rapynogen" . "Reducor" . "Reducor Line" . "Sagittol" . "Servanolol" . "Sloprolol" . "Sumial" . "Tesnol" . "Abilit" . "Aiglonyl" . "Alimoral" . "Calmoflorine" . "Championyl" . "Coolspan" . "Darleton" . "Desmenat" . "Dobren" . "Dogmatil" . "Dogmatyl" . "Dolmatil" . "Dresent" . "Eglonil" . "Eglonyl" . "Enimon" . "Equilid" . "Eusulpid" . "Fardalan" . "Fidelan" . "Guastil" . "Isnamide" . "Kylistro" . "Levobren" . "Levopraid" . "Lisopiride" . "Mariastel" . "Meresa" . "Miradol" . "Mirbanil" . "Misulvan" . "Neogama" . "Norestran" . "Normum" . "Nufarol" . "Omiryl" . "Omperan" . "Ozoderpin" . "Psicocen" . "Pyrikappl" . "Pyrkappl" . "Restful" . "Sernevin" . "Splotin" . "Stamonevrol" . "Sulpitil" . "Sulpride" . "Suprium" . "Sursumid" . "Synedil" . "Valirem" . "Zemorcon" . "SY1365" . "mamba toxin-3" . "Inderal®" . "Nicorette®" . "Nicotrol®" . "compound 2 [PMID: 26301626]" . "Pms-Baclofen" . "(+/-)-Tussal" . "HDAC-IN-2" . "Mps1-IN-5" . "HMPL013" . "ARQ 092" . "Amidone" . "Butalgin" . "Depridol" . "Diaminon" . "Diaminon hydrochloride" . "Dollies" . "Dolly" . "Dolofin hydrochloride" . "Dolohepton" . "Dolophin" . "Dolophin hydrochloride" . "Dolophine" . "Dolophine HCL" . "Fenadon" . "Fenadone" . "Heptadon" . "Heptadone" . "Heptanon" . "Ketalgin" . "Ketalgin hydrochloride" . "Mecodin" . "Mephenon" . "Methadone HCL Intensol" . "Methadone M" . "Methadose" . "Methaquaione" . "Miadone" . "Moheptan" . "Phenadone" . "Physeptone" . "Polamidon" . "Polamidone" . "Tussol" . "Westadone" . "Angilol" . "Apsolol" . "Bedranol" . "Beprane" . "Berkolol" . "Beta-Neg" . "Beta-Propranolol" . "Beta-Tablinen" . "Beta-Timelets" . "Betachron" . "Betalong" . "Cardinol" . "Caridolol" . "Corpendol" . "Deralin" . "Duranol" . "Efektolol" . "Elbrol" . "Etalong" . "Frekven" . "compound 21a [PMID: 27305487]" . "Inderal La" . "Inderide" . "Indobloc" . "Innopran XL" . "Intermigran" . "Kemi S" . "Migrastat" . "Obsidan" . "Oposim" . "Prano-Puren" . "Propanix" . "Prophylux" . "Propranolol Hcl Intensol" . "Propranur" . "Pylapron" . "Rapynogen" . "Reducor" . "Reducor Line" . "Sagittol" . "Servanolol" . "Sloprolol" . "Sumial" . "Tesnol" . "Trulance®" . "Aller-Chlor" . "Allergican" . "Allergisan" . "Antagonate" . "Chlo-Amine" . "Chlor-Trimeton" . "Chlor-Trimeton Allergy" . "Chlor-Trimeton Repetabs" . "Chlor-Tripolon" . "Chloropiril" . "Cloropiril" . "Efidac 24 Chlorpheniramine Maleate" . "Gen-Allerate" . "Haynon" . "Histadur" . "Kloromin" . "Mylaramine" . "Novo-Pheniram" . "Pediacare Allergy Formula" . "Phenetron" . "Piriton" . "Polaramine" . "Polaronil" . "Pyridamal 100" . "Telachlor" . "Teldrin" . "Clivoten" . "DynaCirc" . "Dynacirc CR" . "DynaCire" . "DynaCire CR" . "Dynacrine" . "Esradin" . "Lomir" . "Prescal" . "Rebriden" . "Apllobal" . "Aptine" . "Aptol Duriles" . "Gubernal" . "Regletin" . "Yobir" . "Clivoten" . "Dynacirc CR" . "DynaCire" . "DynaCire CR" . "Dynacrine" . "Esradin" . "Lomir" . "Avlocardyl" . "Dociton" . "Euprovasin" . "DynaCirc®" . "Synarel®" . "Rebriden" . "Mononitrogen monoxide" . "Nitric oxide 10% by volume or more" . "Nitric oxide trimer" . "Nitrogen monooxide" . "Nitrosyl radical" . "NMO" . "Chenodal" . "Enisyl" . "Ivermectin B1" . "Ivermectin-luminol" . "Mectizan" . "Stromectol" . "Acapodene" . "compound 13d [PMID: 25893046]" . "mepenzolate" . "Cantril®" . "Z-Toremifene" . "Clomifert" . "Clomiphene" . "Clomiphene B" . "Clomivid" . "Clomphid" . "Clostilbegyt" . "Genozym" . "Ikaclomin" . "Detrol LA" . "Betagan" . "coumermycin A1" . "Parlodel Snaptabs" . "Pravidel" . "Pro-Air" . "Ariven" . "Arteven" . "Calcilean" . "Calciparine" . "Certoparin" . "Depo-Heparin" . "Eparina [DCIT]" . "Hed-Heparin" . "Hepalean" . "Heparin Cy 216" . "Heparin Leo" . "Heparin Lock Flush" . "Hepathrom" . "Leparan" . "Lipo-Hepin" . "Liquaemin" . "Liquaemin Sodium" . "Liquemin" . "Multiparin" . "Novoheparin" . "Pabyrin" . "Parvoparin" . "Pularin" . "Thromboliquine" . "Vetren" . "Amotril" . "Amotril S" . "Angiokapsul" . "Anparton" . "Antilipid" . "Antilipide" . "Apolan" . "Arterioflexin" . "Arterosol" . "Artevil" . "Ateculon" . "Ateriosan" . "Athebrate" . "Atheromide" . "Atheropront" . "Athranid-Wirkstoff" . "Atrolen" . "Atromid" . "Atromid S" . "Atromida" . "Atromidin" . "Atrovis" . "Azionyl" . "Bioscleran" . "Bresit" . "Cartagyl" . "Citiflus" . "Claripex" . "Claripex CPIB" . "Cloberat" . "Clobrat" . "Clobren-5F" . "Clobren-SF" . "Clofar" . "Clofibram" . "Clofibrat" . "Clofinit" . "Clofipront" . "Delipid" . "Deliva" . "Dura clofibrat" . "ELPI" . "Fibralem" . "Gerastop" . "Hyclorate" . "Klofibrat" . "Klofiran" . "Levatrom" . "Lipamid" . "Lipavil" . "Lipavlon" . "Lipide 500" . "Lipidsenker" . "Lipofacton" . "Lipomid" . "Liponorm" . "Liporeduct" . "Liporil" . "Liposid" . "Liprin" . "Liprinal" . "Lobetrin" . "Miscleron" . "Negalip" . "neo-Atomid" . "Neo-Atromid" . "Normat" . "Normolipol" . "Novofibrate" . "Oxan 600" . "Persantinat" . "Regardin" . "Parlodel®" . "Amitiza®" . "Chenix®" . "Chenodiol®" . "Androxal®" . "Atromid-S®" . "Clomid®" . "Omifin®" . "Prescal®" . "Sklice®" . "Ak-beta®" . "Lariam®" . "Permax®" . "Detrol®" . "Farestone®" . "Yondelis®" . "Ergoset" . "Regelan" . "Regelan N" . "Robigram" . "Scrobin" . "Serofinex" . "Serotinex" . "Skerolip" . "Sklerepmexe" . "Sklero" . "Sklero-Tablinen" . "Sklero-tablinene" . "Sklero-tabuls" . "Sklerolip" . "Skleromex" . "Skleromexe" . "Tetrasipton" . "Thillate" . "Ticlobran" . "Vincamin compositum" . "Yoclo" . "PF 0626327" . "PF0626327" . "Rulid" . "Rulide" . "Surlid" . "Benicar HCT" . "Votum" . "XL-647" . "Agit" . "D.H.E." . "MLR-1023" . "DET MS" . "DHE-45" . "Diergo" . "CP-26154" . "JNJ 39758979" . "JNJ39758979" . "Ergont" . "Ikaran" . "Morena" . "X4P-001-LD" . "Tonopres" . "Verladyn" . "AMD-11070" . "X4P-001" . "Ryegonovin" . "Spametrin-M" . "Apo-Timol" . "Apo-Timop" . "Aquanil" . "Betim" . "Betimol" . "Istalol" . "Novo-Timol" . "Nu-Timolol" . "Phoxal-timolol" . "Proflax" . "Temserin" . "Tenopt" . "Tim-AK" . "Timopic" . "Timoptic in Ocudose" . "Timoptic OcuDose" . "Timoptic-XE" . "Timoptol" . "A-Poxide" . "Abboxide" . "Apo-Chlordiazepoxide" . "Balance" . "CD 2" . "CDP" . "Chloradiazepoxide" . "Chlordiazachel" . "Chlordiazepoxid" . "Chlordiazepoxide Base" . "Chlordiazepoxidum" . "Chloridazepoxide" . "Chloridiazepide" . "Chloridiazepoxide" . "Chlorodiazepoxide" . "Chlozepid" . "Clopoxide" . "Clordiazepossido" . "Contol" . "Control" . "Decacil" . "Eden" . "Elenium" . "Helogaphen" . "Ifibrium" . "Kalmocaps" . "Librelease" . "Librinin" . "Libritabs" . "Menrium" . "Mesural" . "Methaminodiazepoxide" . "Mildmen" . "Multum" . "Napoton" . "Napton" . "Novo-Poxide" . "Psicosan" . "Radepur" . "Risolid" . "Silibrin" . "Tropium" . "Viopsicol" . "Sanvar IR" . "Navan" . "Navaron" . "Orbinamon" . "Fourneau 2559" . "Gallaflex" . "Miowas G" . "Parexyl" . "Pirolakson" . "Pyrolaxon" . "Angionorm" . "Endophleban" . "Ergotrate®" . "Ergomar®" . "Flaxedil®" . "Ergoton-A" . "Medihaler Ergotamine" . "Wigrettes" . "Partergin" . "Navane®" . "Blocadren" . "Timacor" . "Zomig Rapimelt" . "AscoTop" . "Emend®" . "chlordiazepoxide HCl" . "Librium®" . "Lygen®" . "Emselex®" . "Enablex®" . "D.H.E. 45®" . "Migranal®" . "Olmetec®" . "Timoptic®" . "Sanvar®" . "Zomig®" . "Relaxan" . "Remyolan" . "Retensin" . "Sincurarine" . "Syncurarine" . "Tricuran" . "Celupan" . "MorViva" . "glycophenylate" . "(±)-mepenzolate" . "racemic mepenzolate" . "Vivitrex" . "Extina" . "Fungarest" . "Fungoral" . "Ketoderm" . "Ketozole" . "Nizoral a-D" . "Nizoral a-D Shampoo" . "Nizoral Cream" . "Nizoral Shampoo" . "Orifungal" . "Orifungal M" . "Sebazole" . "Delsterol" . "Delta-D" . "Deparal" . "Ebivit" . "Micro-Dee" . "Oleovitamin D3" . "Provitamin D3" . "Provitamine" . "Provitina" . "Ricketon" . "Trivitan" . "Vigantol" . "Vigorsan" . "Ampyrox" . "Blocan" . "Daipin" . "Diopal" . "Holopon" . "Mescopil" . "Neo-Avagal" . "Nutrop" . "Paraspan" . "Proscomide" . "Restropin" . "Transderm Scop" . "Cosmocair C 100" . "Creatin" . "Kreatin" . "Krebiozon" . "Phosphagen" . "Pyrolysate" . "Agedoite" . "Altheine" . "Crystal VI" . "Acifolic" . "Apo-Folic" . "Cytofol" . "Dosfolat B activ" . "Folacid" . "Folacin" . "Folbal" . "Folcidin" . "Foldine" . "Folettes" . "Foliamin" . "Folicet" . "Folipac" . "Folsan" . "Folsaure" . "Folsav" . "Folvite" . "Folvron" . "Incafolic" . "Millafol" . "Redux" . "Aneurin" . "Antiberiberi Factor" . "Betalin S" . "Betaxin" . "Bewon" . "Biamine" . "Vitaneuron" . "Cymeval" . "Valcyt" . "Revatio" . "ORTHO-EST" . "Apo-Metformin" . "Fortamet" . "Gen-Metformin" . "Glucophage XR" . "Glumetza" . "Glycon" . "Mylan-Metformin" . "Novo-Metformin" . "Nu-Metformin" . "PMS-Metformin" . "Ran-Metformin" . "Ratio-Metformin" . "Riomet" . "Sandoz Metformin" . "Teva-Metformin" . "Carnitor" . "Karnitin" . "Nicetile" . "Adenex" . "Allercorb" . "Antiscorbic Vitamin" . "Antiscorbutic Vitamin" . "Arco-Cee" . "Ascoltin" . "Ascor-B.I.D." . "Ascorb" . "Ascorbajen" . "Ascorbicab" . "Ascorbicap" . "Ascorbicin" . "Ascorbin" . "Ascorbutina" . "Ascorin" . "Ascorteal" . "Ascorvit" . "C-Level" . "C-Long" . "C-Quin" . "C-Span" . "C-Vimin" . "Cantan" . "Cantaxin" . "Catavin C" . "Ce Lent" . "Cebicure" . "Cebid" . "Panfungol" . "Valcyte®" . "Ogen®" . "Adifax®" . "Ventavis®" . "Glucophage®" . "ReVia®" . "naltrexone HCl" . "Pamine®" . "Viagra®" . "Spiriva®" . "Cebion" . "Cebione" . "Cecon" . "Cee-Caps Td" . "Cee-Vite" . "Cegiolan" . "Ceglion" . "Celaskon" . "Celin" . "Cemagyl" . "Cemill" . "Cenetone" . "Cenolate" . "Cereon" . "Cergona" . "Cescorbat" . "Cetamid" . "Cetane" . "Cetane-Caps Tc" . "Cetane-Caps Td" . "Cetebe" . "Cetemican" . "Cevalin" . "Cevatine" . "Cevex" . "Cevi-Bid" . "Cevimin" . "Cevital" . "Cevitamic Acid" . "Cevitamin" . "Cevitan" . "Cevitex" . "Cewin" . "Ciamin" . "Cipca" . "Citriscorb" . "Colascor" . "Concemin" . "Davitamon C" . "Duoscorb" . "Hicee" . "Hybrin" . "IDO-C" . "Kyselina Askorbova" . "Laroscorbine" . "Lemascorb" . "Liqui-Cee" . "Meri-C" . "Natrascorb" . "Planavit C" . "Proscorbin" . "Redoxon" . "Ribena" . "Roscorbic" . "Scorbacid" . "Scorbu-C" . "Secorbate" . "Sodascorbate" . "Testascorbic" . "Vicelat" . "Vicin" . "Vicomin C" . "Viforcit" . "Viscorin" . "Vitace" . "Vitacee" . "Vitacimin" . "Vitacin" . "Vitamisin" . "Vitascorbol" . "Xitix" . "Guanidine hydrochloride" . "Aladerm" . "Kerastick" . "NN8765-3658" . "Levulan Kerastick" . "Sam-Sulfate" . "SAMe Rx-Mood" . "Biodermatin" . "Bioepiderm" . "Bios II" . "Biotin Forte" . "Factor S" . "Lutavit H2" . "Meribin" . "Rovimix H2" . "Leuco-4" . "Pedatisectine B" . "5 Fluorouracil" . "Arumel" . "Carzonal" . "Effluderm" . "Efudex" . "Efudix" . "Efurix" . "Fluoroblastin" . "Fluoroplex" . "Fluracil" . "Fluracilum" . "Fluri" . "Fluril" . "Fluro Uracil" . "Ftoruracil" . "FU" . "Kecimeton" . "Phthoruracil" . "Phtoruracil" . "Queroplex" . "Timazin" . "Ulup" . "URF" . "Aropax" . "Paxil CR" . "Seroxat CR" . "Rxosine" . "Tyrosine" . "Tyrosine Power" . "DDFC" . "humZ270" . "SGN-CD33A" . "compound 17 [PMID: 17827008]" . "Gemtro" . "GEO" . "Alrheumat" . "Alrheumun" . "Capisten" . "Dexal" . "Epatec" . "Fastum" . "Iso-K" . "Kefenid" . "Ketopron" . "Lertus" . "Menamin" . "Meprofen" . "Orudis KT" . "Orugesic" . "Oruvail" . "Oscorel" . "Profenid" . "Toprec" . "Toprek" . "Adrucil®" . "Carac®" . "gemcitabine hydrochloride" . "Orudis®" . "Actron®" . "Paxil®" . "Seroxat®" . "Abbocillin" . "Ayercillin" . "Benzopenicillin" . "Benzylpenicillin" . "Benzylpenicillin G" . "Benzylpenicillinic Acid" . "Bicillin" . "Cillora" . "Cilloral" . "Cilopen" . "Compocillin G" . "Cosmopen" . "Crysticillin 300 A.S." . "Dropcillin" . "Free Benzylpenicillin" . "Free Penicillin G" . "Free Penicillin Ii" . "Galofak" . "Gelacillin" . "Liquacillin" . "Megacillin" . "Pencillin G" . "Penicillin" . "MK-8628" . "BMS-844203" . "Penicillinic Acid, Benzyl-" . "Pentids" . "Pentids '200'" . "Pfizerpen" . "Pfizerpen G" . "Pharmacillin" . "Phenylacetamidopenicillanic Acid" . "Pradupen" . "Specilline G" . "Ursopen" . "DEA No. 1605" . "Dimagrir" . "Magrilon" . "Mazildene" . "Mazindol [USAN:BAN:INN]" . "Mazindolum [INN-Latin]" . "Terenac" . "Teronac" . "Apo-Sertraline" . "Mylinax" . "Darachlor" . "Daraclor" . "Darapram" . "Daraprime" . "Disulone" . "Erbaprelina" . "Fansidar" . "Khloridin" . "Malacid" . "Malocid" . "Malocide" . "Maloprim" . "Pirimecidan" . "Tindurin" . "Tinduring" . "BMS844203" . "Desyphed" . "Desyphed hydrochloride" . "Metamfetamine" . "Metamfetamine-m" . "Norodin" . "Speed" . "Stimulex" . "Actedron" . "Adipan" . "Allodene" . "Anorexide" . "Anorexine" . "Benzebar" . "Benzedrine" . "Benzolone" . "Dexampex" . "Elastonon" . "Fenamin" . "Ferndex" . "Finam" . "Isoamycin" . "Isoamyne" . "Isomyn" . "Mecodrin" . "Methampex" . "Norephedrane" . "Novydrine" . "Oktedrin" . "Ortedrine" . "Paredrine" . "Percomon" . "Phenamine" . "Phenedrine" . "Profamina" . "Propisamine" . "Psychedrine" . "Raphetamine" . "Rhinalator" . "Simpatedrin" . "Simpatina" . "Sympamin" . "Sympamine" . "Sympatedrine" . "Weckamine" . "Co-V" . "Co-Vidarabine" . "Covidarabine" . "PD-ADI" . "Vidarbine" . "Vira a Deaminase Inhibitor" . "Arasena-A" . "Spongoadenosine" . "Vidarabin" . "Aggrenox" . "Agilease" . "Anginal" . "Apo-Dipyridamole Fc" . "Apo-Dipyridamole Sc" . "Apricor" . "Cardioflux" . "Cardoxil" . "Chilcolan" . "Cleridium" . "Cleridium 150" . "Coribon" . "Coridil" . "Coronarine" . "Corosan" . "Coroxin" . "Curantyl" . "Dipyridan" . "Gulliostin" . "IV Persantine" . "Mazanor®" . "Leustatin®" . "FUDR®" . "Sanorex®" . "Desoxyn®" . "penicillin-G potassium" . "penicillin G sodium" . "Nipent®" . "Daraprim®" . "Lustral®" . "Zoloft®" . "Vira-A®" . "Justpertin" . "Kurantil" . "Natyl" . "Novo-Dipiradol" . "Peridamol" . "Permiltin" . "Persantin" . "Piroan" . "Prandiol" . "Prandiol 75" . "Protangix" . "RA 8" . "RA-8" . "Stenocardil" . "Stenocardiol" . "Stimolcardio" . "Davedax" . "compound 7a [PMID: 19731961]" . "Norebox" . "Prolift" . "Solvex" . "Vestra" . "Biocoryl" . "Novocainamid" . "Novocainamide" . "Novocaine Amide" . "Novocamid" . "Procainamide Hcl" . "Procaine Amide" . "Procamide" . "Procan Sr" . "Procanbid" . "Procapan" . "Promine" . "Pronestyl-Sr" . "Rasilez" . "Acimethin" . "Cymethion" . "43RFa" . "Antifolan" . "Arbitrexate" . "Emtexate" . "Folex" . "Ledertrexate" . "Metatrexan" . "Methotrate" . "Mexate" . "Rheumatrex" . "Trexall" . "Bastcillin" . "Calthor" . "Citosarin" . "Cyclapen-W" . "Orfilina" . "Syngacillin" . "Ultracillin" . "Vipicil" . "Wyvital" . "Allegra-D 12 Hour" . "Allegra-D 24 Hour" . "Sabrilan" . "Sabrilex" . "Biletan" . "Heparlipon" . "Thioctsan" . "Demi-Regroton" . "Diupres-250" . "Diupres-500" . "Diutensen-R" . "Dralserp" . "Hiserpia" . "Hydromox R" . "Hydroserpine Plus (R-H-H)" . "Metatensin #2" . "Metatensin #4" . "Novoreserpine" . "Rau-Sed" . "Regroton" . "Renese-R" . "Reserfia" . "Salutensin-Demi" . "Sandril" . "Serpanray" . "Serpasil" . "Serpasil-Apresoline" . "Serpasil-Esidrix #1" . "Serpasil-Esidrix #2" . "Serpate" . "Serpivite" . "Apo-Zidovudine" . "Azidothymidine" . "Aztec" . "Novo-Azt" . "Zidovudine EP III" . "Acocantherin" . "Astrobain" . "G-Strophicor" . "Gratibain" . "Gratus Strophanthin" . "Kombetin" . "Purostrophan" . "Rectobaina" . "Solufantina" . "Strophalen" . "Strophoperm" . "Strophosan" . "Uabaina" . "Uabanin" . "Alexan" . "AR3" . "Arabitin" . "Arafcyt" . "Cytarbel" . "Cytosar-U" . "Depocyt (liposomal)" . "Erpalfa" . "Iretin" . "Spongocytidine" . "Tarabine" . "Udicil" . "Alti-Acyclovir" . "Avirax" . "Sitavig" . "Vipral" . "Zovir" . "Zovirax topical" . "Alcephin" . "Alexin" . "Tekturna®" . "Zovirax®" . "Virorax" . "Vastcillin®" . "DepoCyte®" . "Cytosar®" . "Persantine®" . "Allegra®" . "Pronestyl®" . "Strodival®" . "Procan®" . "Serpalan®" . "Gabitril®" . "Valtrex®" . "Zelitrex®" . "Hivid®" . "Retrovir®" . "Alsporin" . "Biocef" . "Carnosporin" . "Cefa-iskia" . "Cefablan" . "Cefadal" . "Cefadin" . "Cefadina" . "Cefaleksin" . "Cefalin" . "Cefaloto" . "Cefaseptin" . "Cefax" . "Ceforal" . "Cefovit" . "Celexin" . "Cepastar" . "Cepexin" . "Cephacillin" . "Cephanasten" . "Cephaxin" . "Cephin" . "Cepol" . "QRFP" . "Ceporex Forte" . "Ceporexin" . "Ceporexin-E" . "Ceporexine" . "Check" . "Cophalexin" . "Durantel" . "Durantel DS" . "Ed A-Ceph" . "Erocetin" . "Factagard" . "Felexin" . "Fexin" . "Ibilex" . "Ibrexin" . "Inphalex" . "Kefalospes" . "Keflet" . "Kefolan" . "Keforal" . "Keftab" . "Kekrinal" . "Kidolex" . "L-Keflex" . "Lafarine" . "Larixin" . "Lenocef" . "Lexibiotico" . "Lonflex" . "Lopilexin" . "Madlexin" . "Mamalexin" . "Mamlexin" . "Medoxine" . "Neokef" . "Neolexina" . "Novolexin" . "Nufex" . "Oracef" . "Oriphex" . "Oroxin" . "Ortisporina" . "Ospexin" . "Palitrex" . "Panixine Disperdose" . "Pectril" . "Pyassan" . "Roceph" . "Sanaxin" . "Sartosona" . "Sencephalin" . "Sepexin" . "Servispor" . "Sialexin" . "Sinthecillin" . "Sporicef" . "Sporidex" . "Syncl" . "Syncle" . "Synecl" . "Tepaxin" . "Tokiolexin" . "Uphalexin" . "Voxxim" . "Winlex" . "Zozarine" . "Videx" . "Rubigen" . "Xenazine" . "Azide" . "Chlotride" . "Clotride" . "Saluric" . "Apresazide" . "Aquarills" . "Aquarius" . "Bremil" . "Caplaril" . "Chlorosulthiadil" . "Chlorzide" . "Cidrex" . "Dichlorosal" . "Dichlorotride" . "Dichlotiazid" . "Dichlotride" . "Diclotride" . "Dicyclotride" . "Direma" . "Disalunil" . "Diu-Melusin" . "Drenol" . "Esidrex" . "Fluvin" . "Hidril" . "Hidrochlortiazid" . "Hidroronol" . "Hidrotiazida" . "Hydril" . "Hydro-Aquil" . "Hydrodiuretic" . "HydroDIURIL" . "Hydropres" . "Hydrosaluric" . "Hydrothide" . "Hydrozide" . "Hypothiazid" . "Hypothiazide" . "Idrotiazide" . "Ivaugan" . "Jen-Diril" . "Maschitt" . "Megadiuril" . "Microzide" . "Nefrix" . "Neo-Codema" . "Neoflumen" . "Newtolide" . "Panurin" . "Ro-Hydrazide" . "Servithiazid" . "Thiaretic" . "Thiuretic" . "Thlaretic" . "Timolide" . "Keflex®" . "Diuril®" . "Nitoman®" . "Urodiazin" . "Vetidrex" . "Burine" . "26RFa" . "Lixil" . "Segurex" . "Diulo" . "Metalazone" . "Metalozone" . "Metenix" . "Microx" . "Mykrox" . "Aisemide" . "Aldalix" . "Aldic" . "Aluzine" . "Anfuramaide" . "Apo-Frusemide" . "Apo-Furosemide" . "Aquarid" . "Aquasin" . "Arasemide" . "Beronald" . "Bioretic" . "Bristab" . "Bristurin" . "Cetasix" . "Depix" . "Desal" . "Desdemin" . "Di-Ademil" . "Dirine" . "Disal" . "Discoid" . "Disemide" . "Diucardin" . "Diumide-K" . "Diural" . "Diurapid" . "Diuretic Salt" . "Diurin" . "Diurolasa" . "Diusemide" . "Diusil" . "Diuzol" . "Dranex" . "Dryptal" . "Durafurid" . "Edemid" . "Edenol" . "Eliur" . "Elodrine" . "Endural" . "Errolon" . "Eutensin" . "Farsix" . "Finuret" . "Fluidrol" . "Fluss" . "Franyl" . "Frumex" . "Frumide" . "Frusedan" . "Frusema" . "Frusemin" . "Frusenex" . "Frusetic" . "Frusid" . "Fulsix" . "Fuluvamide" . "Fuluvamine" . "Furanthril" . "Furanthryl" . "Furantril" . "Furanturil" . "Furesis" . "Furetic" . "Furex" . "Furfan" . "Furix" . "Furmid" . "Furo-Basan" . "Furo-Puren" . "Furobeta" . "Furocot" . "Furodiurol" . "Furodrix" . "Furomen" . "Furomex" . "Furomide M.D." . "Furorese" . "Furosan" . "Furose" . "Furosedon" . "Furosemix" . "Furoside" . "Furosifar" . "Furosix" . "Furoter" . "Furovite" . "Fursol" . "Golan" . "Hissuflux" . "Hydol" . "Hydrenox" . "Hydrex" . "Hydro" . "Hydro-Rapid" . "Hydroled" . "Impugan" . "Jenafusid" . "Katlex" . "Kofuzon" . "Kolkin" . "Kutrix" . "Lasemid" . "Lasex" . "Lasiletten" . "Lasilix" . "Lasix Retard" . "Lasix Special" . "Laxur" . "Lazix" . "Leodrine" . "Less Diur" . "Liside" . "Logirene" . "Lowpston" . "Lowpstron" . "Luscek" . "Macasirool" . "Marsemide" . "Mirfat" . "Mita" . "Moilarorin" . "Myrosemide" . "Nadis" . "Nelsix" . "Neo-Renal" . "Novosemide" . "Odemase" . "Odemex" . "Oedemex" . "Olmagran" . "Polysquall A" . "Prefemin" . "Bumex®" . "Fordiuran" . "Burinex®" . "Lasix®" . "Fusid" . "Zaroxolyn®" . "Profemin" . "Promedes" . "Promide" . "Protargen" . "Puresis" . "Radisemide" . "Radonna" . "Radouna" . "Retep" . "Rodiuran" . "Rontyl" . "Rosemide" . "Rosis" . "Rusyde" . "Sal Diureticum" . "Salinex" . "Salix" . "Salurex" . "Salurid" . "Saluron" . "Seguril" . "Selectofur" . "Sigasalur" . "Sisuril" . "Spirofur" . "Synephron" . "Transit" . "Trofurit" . "Uremide" . "Uresix" . "Urex" . "Urex-M" . "Urian" . "Uridon" . "Uritol" . "Urosemide" . "Vergonil" . "Vesix" . "Yidoli" . "Zafimida" . "Accucol" . "Alti-Sulfasalazine" . "Asulfidine" . "Azlufidine EN-Tabs" . "Azopyrin" . "Azopyrine" . "RVT-101" . "Azulfidine EN-Tabs" . "Benzosulfa" . "Colo-Pleon" . "PMS-Sulfasalazine" . "Pms-Sulfasalazine E.C." . "Reupirin" . "S.A.S. Enteric-500" . "Salazopiridazin" . "Salazopyrin EN-Tabs" . "Salazosulfapyridin" . "Salazosulfapyridine" . "Salicylazosulfapyridine" . "Salisulf" . "Sulcolon" . "W-T Sasp Oral" . "Cardoxin" . "Cogoxin" . "Cordioxil" . "Davoxin" . "Digacin" . "Digitekt" . "Digoxin Pediatric" . "Dilanacin" . "Dixina" . "Eudigox" . "Homolle's Digitalin" . "Lanacordin" . "Lanacrist" . "Lanicor" . "Lanoxicaps" . "Lenoxicaps" . "Lenoxin" . "Longdigox" . "Neo-Lanicor" . "Neodioxanin" . "Rougoxin" . "SK-Digoxin" . "Stillacor" . "Vanoxin" . "Irressat" . "Atamet" . "HMD" . "Lodosin" . "Corotrop" . "Corotrope" . "Milrila" . "Abenol" . "Abensanil" . "Acamol" . "Accu-Tap" . "Acephen" . "Aceta Elixir" . "Aceta Tablets" . "Acetagesic" . "Acetalgin" . "Actamin" . "Actimol" . "Algotropyl" . "Alpiny" . "Alpinyl" . "Alvedon" . "Amadil" . "Aminofen" . "Anacin-3" . "Anaflon" . "Anapap" . "Anelix" . "Anhiba" . "Apacet" . "Apadon" . "Apamide" . "Atasol" . "Banesin" . "Bayer Select" . "Bickie-mol" . "Calpol" . "Captin" . "Cetadol" . "Clixodyne" . "Conacetol" . "Dafalgan" . "Dapa X-S" . "Darvocet" . "Datril" . "Dimindol" . "Dirox" . "Disprol" . "Doliprane" . "Dolprone" . "Drixoral Plus" . "Dularin" . "Dymadon" . "Lodosyn®" . "Lanoxin®" . "Tarceva®" . "Aldara®" . "Glyset®" . "Zavesca®" . "Primacor®" . "Salazopyrin®" . "Salazopyridin®" . "Dypap" . "Elixodyne" . "Enelfa" . "Eneril" . "Eu-Med" . "Exdol" . "Febridol" . "Febrilix" . "Febrinol" . "Febro-Gesic" . "Febrolin" . "Fendon" . "Feverall" . "Fevor" . "Finimal" . "Gelocatil" . "Genapap" . "Genebs" . "Hedex" . "Homoolan" . "Injectapap" . "Janupap" . "Korum" . "Lestemp" . "Liquagesic" . "Liquiprin" . "Lonarid" . "Lyteca" . "Momentum" . "Napafen" . "Naprinol" . "Nealgyl" . "Nebs" . "Neopap" . "Neotrend" . "Nobedon" . "Oraphen-PD" . "Ortensan" . "Pacemo" . "Painex" . "Paldesic" . "Panaleve" . "Panasorb" . "Panets" . "Panex" . "Panofen" . "Papa-Deine" . "Paracet" . "Parapan" . "Paraspen" . "Parelan" . "Parmol" . "Pasolind" . "Pasolind N" . "Pedric" . "Phenaphen" . "Phenaphen Caplets" . "Phendon" . "Prompt" . "Pyrinazine" . "Redutemp" . "Rivalgyl" . "Robigesic" . "Rounox" . "Salzone" . "Servigesic" . "SK-Apap" . "Snaplets-FR" . "St. Joseph Fever Reducer" . "Suppap" . "Synalgos-Dc-A" . "Tabalgin" . "Talacen" . "Tapanol" . "Tapar" . "Tavist Allergy/Sinus/Headache" . "Temlo" . "Tempanal" . "Tempra" . "Tibinide" . "Tibizide" . "Tisin" . "Tisiodrazida" . "Tizide" . "Tralgon" . "Tussapap" . "SB-742457" . "Valadol" . "Valgesic" . "Valorin" . "Valorin Extra" . "Dapropterin" . "Phenoptin" . "Anaprox" . "Leutrol" . "Zyflo" . "Zyflo CR" . "Transamine" . "Bonyl" . "Diocodal" . "DL Naproxen" . "DL-Naproxen" . "Ec-naprosyn" . "Equiproxen" . "Floginax" . "Laraflex" . "Laser" . "Mnpa" . "Naixan" . "Naprelan" . "Napren" . "Naprium" . "Naprius" . "Naprosine" . "Naprosyne" . "Naproxen Sodium" . "Naprux" . "Naxen" . "Naxyn" . "Niaxan" . "Nycopren" . "Panoxen" . "Pranoxen" . "Prexan" . "Proxen" . "Proxine" . "Reuxen" . "Veradol" . "Xenar" . "Aldometil" . "Aldomin" . "Baypresol" . "Becanta" . "Dopatec" . "Dopegyt" . "Grospisk" . "Hyperpax" . "Hypolag" . "Medomet" . "Medopa" . "Medopal" . "Dl-tranylcypromine" . "Aldomet®" . "Aldoril®" . "Dopamet®" . "Aleve®" . "Naprosy®" . "Panadol®" . "Parnate®" . "Medopren" . "Methoplain" . "Novomedopa" . "Nu-Medopa" . "Presinol" . "Presolisin" . "Sedometil" . "Sembrina" . "GSK742457" . "Acepress" . "Acepril" . "Alopresin" . "Apopril" . "Captolane" . "Captoril" . "Cesplon" . "Dilabar" . "Garranil" . "Hipertil" . "Hypertil" . "Lopirin" . "Lopril" . "Tenosbon" . "Tensoprel" . "Anastrole" . "Eskalith" . "LithoTab" . "Sandimmun®" . "CT322" . "Restasis" . "Restasis (Allergan Inc)" . "Sangcya" . "Axagon" . "Esopral" . "Lucen" . "Nexiam" . "Adaferin" . "Hypnomidate" . "Dorsital" . "Ethaminal" . "Mebubarbital" . "Mebumal" . "Nebralin" . "Nembutal Sodium" . "Neodorm" . "Rivadorm" . "(+/-)-Tussal" . "Adanon" . "Adanon hydrochloride" . "Adolan" . "Algidon" . "Algolysin" . "Algovetin" . "Althose hydrochloride" . "Amidon" . "Amidone" . "Biscuits" . "Butalgin" . "Depridol" . "Diaminon" . "Diaminon hydrochloride" . "Dollies" . "Dolly" . "Dolofin hydrochloride" . "Dolohepton" . "Dolophin" . "Dolophin hydrochloride" . "Dolophine" . "Fenadon" . "Fenadone" . "Heptadon" . "Heptadone" . "Heptanon" . "Ketalgin" . "Ketalgin hydrochloride" . "Mecodin" . "Mephenon" . "Methadone HCL Intensol" . "Methadone M" . "Methaquaione" . "Miadone" . "Moheptan" . "Phenadone" . "Physeptone" . "Polamidon" . "Polamidone" . "Tussol" . "Westadone" . "Abilit" . "Aiglonyl" . "Calmoflorine" . "Championyl" . "Coolspan" . "Darleton" . "Desmenat" . "Dobren" . "Dogmatil" . "Dogmatyl" . "Dresent" . "Eglonil" . "Eglonyl" . "Enimon" . "Equilid" . "Eusulpid" . "Fardalan" . "Fidelan" . "Guastil" . "Isnamide" . "Kylistro" . "Levobren" . "Levopraid" . "Lisopiride" . "Mariastel" . "Miradol" . "Mirbanil" . "Misulvan" . "Neogama" . "Norestran" . "Normum" . "Nufarol" . "Omiryl" . "Omperan" . "Ozoderpin" . "Psicocen" . "Pyrikappl" . "Pyrkappl" . "Restful" . "Sernevin" . "Splotin" . "Stamonevrol" . "Sulpitil" . "Sulpride" . "Suprium" . "Sursumid" . "Synedil" . "Valirem" . "Zemorcon" . "Arimidex®" . "Capoten®" . "Nexium®" . "Amidate®" . "Femara®" . "Methadose®" . "Dolophine HCL®" . "Alli®" . "Nembutal®" . "Lyrica®" . "Dolmatil®" . "Agopton" . "Amarin" . "Aprazol" . "Bamalite" . "Biuret" . "Biuret Gr" . "Biuret Reagent Solution" . "Blason" . "Compraz" . "Dakar" . "Ilsatec" . "Ketian" . "Lancid" . "Lanproton" . "Lansopep" . "Malaquin®" . "Lansoprazole [Usan:Ban:Inn]" . "(5-Bromo-1-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl){6-[(dimethylamino)methyl]-(+)-4-methyl-3,4-dihydroisoquinolin-2(1H)-yl}methanone" . "Lanston" . "Lanz" . "Lanzol-30" . "Lanzopral" . "Lanzor" . "Lasoprol" . "Limpidex" . "Mesactol" . "Monolitum" . "Ogast" . "Ogastro" . "Opiren" . "Prevacid" . "Prevacid Iv" . "Prevacid Solutab" . "Prezal" . "Pro Ulco" . "Promp" . "Prosogan" . "Suprecid" . "Takepron" . "Ulpax" . "Zoprol" . "Zoton" . "Abiplatin" . "Biocisplatinum" . "Briplatin" . "Carboquone" . "Cismaplat" . "Cisplatine" . "Cisplatyl" . "Citoplationo" . "Lederplatin" . "Neoplatin" . "Plastin" . "Platamine" . "Platidiam" . "Platinoxan" . "Randa" . "Sandostatin®" . "Aralen®" . "CCX-168" . "CCX168" . "adenosine diphosphate" . "Disoprivan" . "Disoprofol" . "Rapinovet" . "Felbamyl" . "Aclonium" . "Novo-Gabapentin" . "compound 14 [PMID: 27117263]" . "Amokin" . "Arechin" . "Arthrochin" . "Artrichin" . "Avlochlor" . "Avloclor" . "Bemaco" . "Bemaphate" . "Bemasulph" . "Benaquin" . "Bipiquin" . "Capquin" . "Chemochin" . "Chingamin" . "Chlorochin" . "Cidanchin" . "Cocartrit" . "Dawaquin" . "Delagil" . "Dichinalex" . "Elestol" . "Gontochin" . "Heliopar" . "Imagon" . "Iroquine" . "Klorokin" . "Lapaquin" . "Malaren" . "Malarex" . "Mesylith" . "Neochin" . "Nivachine" . "Nivaquine" . "Nivaquine B" . "Quinachlor" . "Quinagamin" . "Quinagamine" . "Quinercyl" . "Quingamine" . "Quinilon" . "Quinoscan" . "Resochen" . "Resochin" . "Resoquina" . "Resoquine" . "Reumachlor" . "Reumaquin" . "Roquine" . "Sanoquin" . "Silbesan" . "Siragan" . "Solprina" . "Sopaquin" . "Tanakan" . "Tresochin" . "Trochin" . "Melitor" . "Atrigel" . "Sandostatin LAR" . "ROC" . "Biotrakson" . "Rocephine" . "Valdoxan®" . "Cetrotide®" . "Felbatol®" . "Neurontin®" . "Zoladex®" . "Wytensin®" . "Diprivan®" . "Fortovase®" . "Invirase®" . "Onglyza®" . "Clinoril®" . "Champix®" . "Chantix®" . "Galvus®" . "Bonuten" . "Gadopril" . "Kinfil" . "Vasotec IV" . "Acovil" . "Carasel" . "Cardace" . "Delix" . "Hypren" . "Hytren" . "Lostapres" . "Pramace" . "Quark" . "Ramace" . "Triatec" . "Vesdil" . "Accuprin" . "Acequin" . "Acuitel" . "Korec" . "Quinazil" . "Acercomp" . "Inhibril" . "Linopril" . "Lisinopril Dihydrate" . "Lisipril" . "Lysinopril" . "Noperten" . "Presiten" . "Sinopril" . "Briem" . "Cibacen" . "Cibacene" . "Pradax" . "Rendix" . "Exarta" . "Zithromax" . "Exanta" . "Sumamed" . "Acecor" . "Staril" . "Alti-Doxycycline" . "Apo-Doxy" . "Atridox" . "Doryx" . "Doxy 100" . "Doxy-Caps" . "Doxy-Lemmon" . "Doxychel" . "Doxychel Hyclate" . "Doxycin" . "Doxylin" . "Doxytec" . "Jenacyclin" . "Novo-Doxylin" . "Nu-Doxycycline" . "Oracea" . "Supracyclin" . "Vibra-Tabs" . "Apo-Carbamazepine" . "Atretol" . "Biston" . "Calepsin" . "Carbamazepen" . "Carbatrol" . "Carbazepine" . "Carbelan" . "Epitol" . "Equetro" . "Finlepsin" . "Karbamazepin" . "Lexin" . "Neurotol" . "Novo-Carbamaz" . "Nu-Carbamazepine" . "Sirtal" . "Stazepin" . "Stazepine" . "Taro-Carbamazepine" . "Taro-Carbamazepine Cr" . "Tegretal" . "Tegretol Chewtabs" . "Tegretol Cr" . "Tegretol-Xr" . "Telesmin" . "Teril" . "Timonil" . "Candoxatrilat" . "Azenil" . "Azibiot" . "Azifine" . "Azitromax" . "Aziwok" . "Aztrin" . "Hemomycin" . "Misultina" . "Mixoterin" . "Setron" . "Tobil" . "Tromix" . "Vinzam" . "Zeto" . "Zifin" . "Zithrax" . "Zitrim" . "Zitrocin" . "Zitromax" . "Zitrotek" . "Zmax" . "Amcha" . "Amikapron" . "Amstat" . "Anvitoff" . "Carxamin" . "Cyclocapron" . "Emorhalt" . "Frenolyse" . "Mastop" . "Rikavarin" . "Rikavarin-S" . "Tamcha" . "Tranexan" . "Transamin" . "Trasamlon" . "Ugurol" . "Acepramin" . "Acepramine" . "Afibrin" . "Amikar" . "Aminokapron" . "Tegretol®" . "Pradaxa®" . "Periostat" . "Accupril®" . "Nesina®" . "Accupro®" . "Amicar®" . "Lotensin®" . "Vibramycin®" . "Monodox®" . "Vasotec®" . "Tradjenta®" . "Altace®" . "Zestril®" . "Prinivil®" . "Tritace®" . "Cyklokapron®" . "Mavik®" . "Atsemin" . "Caplamin" . "Capracid" . "Capramol" . "Capranol" . "Caprocid" . "Caprolisin" . "EACS" . "Epsamon" . "Epsicapron" . "Epsikapron" . "Epsilcapramin" . "Epsilcapramine" . "Hemocaprol" . "Hemopar" . "Hepin" . "Ipsilon" . "Respramin" . "BMS-309403" . "AGG" . "compound 2 [PMID: 22533316]" . "Esromiotin" . "Ezerin" . "Fysostigmin" . "Physostol" . "Exelon Patch" . "Apo-Selegiline" . "Carbex" . "Emsam" . "Gen-Selegiline" . "Jumex" . "Novo-Selegiline" . "Nu-Selegiline" . "Sd Deprenyl" . "Basolan" . "Danantizol" . "Favistan" . "Frentirox" . "Merkastan" . "Metizol" . "Metotirin" . "Strumazol" . "Strumazole" . "Tapuzole" . "Thacapzol" . "Thycapsol" . "Thycapzol" . "Thyreostat II" . "HQL79" . "E-2020" . "toxin AdTx1" . "thermozymocidin" . "JNJ26070109" . "NVP231" . "NVP-231" . "C18:3" . "11-cis-retinal" . "11-cis-retinol" . "13-cis-retinal" . "13-cis-retinol" . "all-trans-retinol" . "all-trans-retinal" . "9-cis-retinal" . "PNU101,387G" . "Di-o-tolylguanidine" . "1,3-Di-o-tolylguanidine" . "DOTG" . "lanthanum ion" . "PRE084" . "NE100" . "BD1047" . "PB28" . "potassium ion" . "gadolinium ion" . "nickel ion" . "sodium hydrogen sulfide" . "ammoniated ruthenium oxychloride" . "hydrogen ion" . "sodium ion" . "magnesium ion" . "CGP-060536B" . "SPP100" . "CP775146" . "galanthamine" . "SB-480848" . "PF-998425" . "ERB-041" . "THL" . "tetrahydrolipstatin" . "SB 480848" . "sPLA2-2A inhibitor, compound 2b" . "Big LEN" . "b-LEN" . "SAAS CT(25-40)" . "BMS-243887" . "SOM-230" . "ecteinascidin 743" . "HTS 01037" . "GSH" . "GSK PERK Inhibitor" . "Exelon®" . "Eldepryl®" . "Cognex®" . "Aggrastat®" . "Reminyl" . "Macril" . "Comtan®" . "Bambec®" . "Oxeol®" . "Firmagon®" . "Tapazole®" . "Antilirium®" . "Azilect®" . "Renormax®" . "Tasmar®" . "compound 8a [PMID: 23707258]" . "compound 20 [PMID: 19950900]" . "compound 22b [PMID: 16242323]" . "EACA" . "Zelapar®" . "analog 49 (Dasse et al., 2007)" . "Comtess®" . "CT-322" . "CT 322" . "notomycin" . "compound 35 [PMID: 29271653]" . "(4R)-2'-deoxy-2',2'-difluoro-3,4,5,6-tetrahydrouridine" . "ASTX727 (cedazuridine + decitabine)" . "compound 7a [PMID: 24520856]" . "A1331852" . "A 1331852" . "GSK-2830371" . "compound 8 [PMID: 24390428]" . "SL176" . "PF3084014" . "LB100" . "Upneeq® (opthalmic solution)" . "PBT-1033" . "CAL-101/CAL101" . "GS-1101" . "ERB 041" . "NB-DNJ" . "MK 0791" . "MK-0663" . "RO 47-0203" . "REGN727" . "SAR-236553" . "SAR236553" . "CD 437" . "antide" . "aurantica" . "calico yellow" . "toxylon pomiferum" . "CPP-109" . "3-fluoro-GSK2606414" . "corticotropin" . "blood depressing substance 1 (BDS-1)" . "corticotropin" . "compound 12b [PMID: 23376252]" . "S-protein" . "serum-spreading factor" . "V75" . "bone sialoprotein 1" . "nephropontin" . "secreted phosphoprotein 1" . "SPP-1" . "urinary stone protein" . "uropontin" . "vWF" . "AC98170" . "V-CAM 1" . "INCAM-100" . "CD_antigen=CD106" . "PTH-(1-34) (human)" . "compound 1c [PMID: 22410249]" . "palmitoyl coenzyme A" . "CDDO" . "VU0099704" . "methylscopolamine" . "distearoylphosphatidylserine" . "ang A" . "SC-52458" . "L-163101" . "TAK 491" . "TAK-536" . "L-162313" . "L 162313" . "LY-301875" . "PCI-32765" . "TRV 120027" . "antihypertensive protein BDS-1" . "M-TRTX-Gr1a" . "Toxin GsMTx-4" . "MTx4" . "ω-GrTx SIA" . "omega-GsTx SIA" . "omega-GTX SIA" . "pancreatic trypsin inhibitor" . "Imbruvica®" . "BPTI" . "4',5-dihydroxy-7-methoxyisoflavone" . "MX-67" . "Tei-6720" . "TMX 67" . "Tei 6720" . "(-)-repaglinide" . "AGEE-623ZW" . "29060-LE" . "compound 30 [PMID: 22889560]" . "compound 4g [PMID: 19963382]" . "p-hydroxyanisole" . "compound 38 [PMID: 22827572]" . "BMS-181158" . "6-mercaptoguanine" . "compound 14 [PMID: 26819675]" . "7Hp" . "Adenock" . "Ailural" . "Allopuren" . "Allohexal" . "Allopur" . "Allozym" . "Allural" . "Aloral" . "ABX-EGF Mab" . "ABX-EGF" . "acetyldiginatin" . "alpha-acetyldigitoxin" . "Acigoxin" . "ACZ885" . "ACZ 885" . "Adiaben" . "Apo-Chlorpropamide" . "Asucrol" . "Catanil" . "Chlorodiabina" . "Chloronase" . "Chloropropamide" . "AL-4862" . "Aldiab" . "Digrin" . "Dipazide" . "Glibenese" . "Glibetin" . "Glican" . "Glide" . "Glidiab" . "Glipid" . "Novonorm" . "Leucodine B" . "L-deprenyl" . "Adcetris®" . "ReoPro®" . "Actemra®" . "Aloprim®" . "Adenuric®" . "AC-264613" . "Leucobasal®" . "6-thioguanine" . "basic protease inhibitor (BPI)" . "AC55541" . "compound 3 [PMID: 18720984]" . "L-732138" . "L732138" . "compound 36 [PMID: 24678969]" . "LY-2940094" . "RX-10045" . "VU0243604" . "SB-416" . "BODIPY 630/650 conjugate 28" . "derivative 30 [PMID: 25299434]" . "compound 11 [PMID: 26303895]" . "SB-751689" . "JTT-305" . "MK5442" . "compound 10a [PMID: 20158186]" . "Amarel" . "Endial" . "Novo-Glimepiride" . "Pms-Glimepiride" . "Ratio-Glimepiride" . "AMG-162" . "M05BX04" . "Antidrasi" . "Glaucol" . "Oratrol" . "Dasanide" . "Antitrombosin" . "Baracoumin" . "Cuma" . "Cumid" . "Acadyl" . "Acavyl" . "Dicoumal" . "Atenezol" . "Apo-Acetazolamide" . "Acetazolamide Sodium" . "Diacarb" . "Defiltran" . "Acetamox" . "Dehydratin" . "Dazamide" . "BAY-G 5421" . "BAY-G-5421" . "Mabcampath" . "Becenun" . "Campath®" . "Bicnu" . "Carmubris" . "Gliadel" . "Gliadelwafer" . "Nitrumon" . "Benoquin" . "Agerite" . "Carmifal" . "Depigman" . "BG-9273" . "BG-9712" . "Lfa3Tip" . "Arava®" . "Rebetol®" . "Angiocept®" . "BG 9273" . "BG 9712" . "Biosupressin" . "Hidrix" . "Hydura" . "Hydurea" . "Litaler" . "Litalir" . "Onco-Carbide" . "biotecan" . "(+)-irinotecan" . "irinotecan hydrochloride" . "bishydroxycoumarin" . "BMS-247550-01" . "azaepothilone B" . "BMS 247550-1" . "BMS-247550" . "AG-348" . "Boxol" . "Eurodal" . "Ligoframin" . "Low Liquemine" . "BW-56158" . "BW-56-158" . "C225" . "IMC-225" . "IMC-C225" . "AG348" . "campath 1H" . "campath-1H" . "Irinotecan, Cpt-11" . "CDP870" . "PHA 738144" . "Munoloc" . "CHI-621" . "L04AC02" . "SDZ-CHI-621" . "Lovenox Hp" . "CAFdA" . "CNTO148" . "CNTO-148" . "PKM2 activator 1020" . "Ribasphere" . "Ribav" . "PKR-IN-1" . "Athrombin" . "Athrombin-K" . "Co-Rax" . "Coumafen" . "CYT-351" . "capromab pendetide" . "compound 80a [WO2011002817A1]" . "CYT-356" . "Indium In 111 capromab" . "INCB054828" . "TSR-011" . "DAC" . "TSR011" . "dalteparin sodium" . "Cidamex" . "azadC" . "Robaxin®" . "Cellcept®" . "Azopt®" . "Lopurin" . "Clolar®" . "Oncoscint Prostate" . "Avastin®" . "Cimzia®" . "Arzerra®" . "Bexxar®" . "Amevive®" . "Zyloprim®" . "BiCNU®" . "Evoltra®" . "clofarex" . "Fragmin®" . "Dacogen®" . "Daranide®" . "Deacetyllanatoside C" . "Cedilanide®" . "Melitoxin®" . "Lovenox®" . "Clexane®" . "Cardrase®" . "Arixtra®" . "Amaryl®" . "Hydrea®" . "Droxia®" . "Camptosar®" . "Alimta®" . "Copegus®" . "Arcalyst®" . "Aubagio®" . "Coumadin®" . "dezocitidine" . "h5G1.1VHC" . "NPSP795" . "SHP-635" . "desacetyl-lanatoside C" . "Diabetol" . "Artosin" . "Diaben" . "Butamide" . "Diabetamid" . "Siliq®" . "Parsabiv®" . "meldian" . "ArmonAir RespiClickTM" . "CCR4 Antagonist" . "LY2409021" . "dichlofenamide" . "glauconide" . "Digitoksin" . "Tardigal" . "digitoxoside" . "unidigin" . "docetaxel anhydrous" . "EmDOC" . "drotrecogin alfa (activated)" . "HSDB 7366" . "Enbrel Sureclick" . "Eposin" . "Lastet" . "Vepesid J" . "Zuyeyidal" . "6-O-(2'(R,S)-tetradecyloctadecanoyl)-D-glucose" . "E7389" . "ER 086526" . "NSC-707389" . "ERL-080" . "ethoxazolamide" . "ethoxyzolamide" . "EYEOO1" . "NX183" . "Ezedoc" . "Ezetib" . "Ezetrol" . "Maxetibe" . "Zemitra" . "Zetavim" . "Zient" . "Forbaxin" . "Etroflex" . "Avetil" . "Delaxin" . "glimepride" . "Gluconorm" . "glutathione disulfide" . "h5G1.1" . "Hedulin" . "HMR-1726" . "A77 1726" . "flucyamide" . "HSDB 7455" . "humax-CD20" . "GSK1841157" . "GSK 1841157" . "hydroxycarbamide" . "SQ-1089" . "Hypoglicil" . "Metaglucina" . "Dimelin" . "Minoral" . "Ordimel" . "Gamadiabet" . "Dimelor" . "IGE25" . "R03DX05" . "rhumab-E25" . "olizumab" . "RG-3648" . "interleukin-1 Trap" . "IL-1 Trap" . "MDX-010" . "MDX-101" . "MDX-CTLA-4" . "RG-1046" . "CTLA4-IgG4m" . "lymphostat-B" . "L04AC01" . "Ro-247375" . "RO-24-7375" . "L04AC05" . "TT-20" . "CNTO-1275" . "LEA29Y" . "BMS-224818" . "LY-231514" . "MCN-4853" . "RWJ-17021" . "epitomax" . "MDV3100" . "MDV-3100" . "MK-906" . "Modrastane" . "Modrenal" . "Ixempra®" . "glupitel" . "glydiazinamide" . "melizide" . "zidia" . "Eylea®" . "Glaupax" . "lekozid" . "diabetoral" . "dynalase" . "diabinese" . "Crystodigin" . "diuretic C" . "Robaxin-750" . "Parabaxin" . "Edemox" . "Zaltrap®" . "Benlysta®" . "Ilaris®" . "Erbitux®" . "Lucentis®" . "Dymelor®" . "Jevanta®" . "Diabenese®" . "ceglunat" . "desace" . "Halaven®" . "Enbrel®" . "Ethamide®" . "Etopophos®" . "VePesid®" . "Toposar®" . "Zetia®" . "Glucotrol®" . "Keppra®" . "Macugen®" . "Liquamar®" . "Elidel®" . "Folotyn®" . "Prandin®" . "Innohep®" . "BMS-188667" . "Desopan" . "SCH 58235" . "Melbrex" . "nateglinide" . "NSC-715848" . "NSC-67574" . "kyocristine" . "leurocristine sulfate" . "22-oxovincaleukoblastine" . "IDEC-Y2B8-yttrium ibritumomab tiuxetan" . "SGN 35" . "OKT-3" . "L04AA02" . "Vincrex" . "Vincasar" . "Marqibo" . "Vincasar Pfs" . "Vincristine Sulfate Pfs" . "ORG-10172" . "p-benzyloxyphenol" . "PDX" . "anti-CD30 ADC SGN-35" . "YM244769" . "phenprocoumarol" . "phenylindanedione" . "YM 244769" . "Prandase" . "Hecoria" . "Advagraf" . "Chibro-Prosca" . "Finastid" . "Prostide" . "Finpecia" . "RHPM-1" . "RG-1569" . "R-1569" . "compound 36 [PMID: 22734674]" . "Rhu Tnfr:Fc" . "TNFR-Fc" . "SQ 82531" . "TNR 001" . "rhuFab V2" . "rhuMAb-VEGF" . "ribofluranosyl carboxamide" . "SQ-82531" . "Ro-091978000" . "Ro-09-1978-000" . "RP-54563" . "PK-10169" . "RS-61443-190" . "RS-61443" . "SCH-58235" . "SDZ-ASM 981" . "SDZ ASM 981" . "Fastic" . "Stelera" . "SU-101" . "HWA-486" . "HWA 486" . "lefunamide" . "suberoylanilide hydroxamic acid" . "SQ82531" . "fujimycin" . "SQ 82,291" . "tolazolamide" . "Norglycin" . "Tolanase" . "trans-etoposide" . "(-)-etoposide" . "VP-16" . "VP 16-213" . "Quinlock®" . "U-18496" . "ladakamycin" . "5-azacytidine" . "5-AZAC" . "UCB-L 059" . "Vectibex" . "Rozevin" . "VM-26" . "Vehem" . "Vee M-26" . "WAY-CMA 676" . "CDP 771" . "CMA 676" . "WIN-24540" . "WIN 24,540" . "Normiflo" . "Protopic®" . "Tribavirin" . "Viramid" . "Prograf®" . "Ribapak" . "Modigraf" . "Stelara®" . "Diabewas" . "Dolipol" . "Orabet" . "Topamax®" . "Rastinon" . "Velban®" . "Jantoven" . "panwarfin" . "Sulol" . "vincaleucoblastin" . "Starsis" . "Trazec" . "ProstaScint®" . "Simulect®" . "Soliris®" . "Mylotarg®" . "Simponi®" . "Orthoclone Okt3®" . "Rituxan®" . "RoActemra®" . "Orencia®" . "Precose®" . "Vidaza®" . "Xeloda®" . "Nulojix®" . "Orgaran®" . "enoxaparin sodium" . "Uloric®" . "Proscar®" . "Propecia®" . "Neptazane®" . "Starlix®" . "Orfadin®" . "Virazole®" . "Vumon®" . "Lanvis®" . "Tabloid®" . "Tolinase®" . "Orinase®" . "Vetoryl®" . "Oncovin®" . "Zolinza®" . "SAHA" . "antibody-drug conjugate SGN-35" . "Ranmark Xgeva" . "XRP-6258" . "taxoid XRP6258" . "TXD 258" . "ziv-aflibercept" . "VEGF Trap" . "UCB L059" . "CGP-46381" . "AVE0005" . "Cl-F-araA" . "1α-hydroxyvitamin D2" . "calcidiol" . "CPT-11" . "lithium ion" . "perchlorate" . "thiocyanate" . "SN 38 lactone" . "(-)MQNB" . "dichlorphenamide" . "HS-592" . "LY-127809" . "Xolair®" . "Metenarin" . "ado-trastuzumab emtansine" . "RG-3502" . "PRO-132365" . "zoledronate" . "L-DOPA" . "compound 37 [PMID: 22468684]" . "NP031112" . "AAB-001" . "3D-6" . "compound 39 [PMID: 18998663]" . "RG-1450" . "Ro-4909832" . "R-1450" . "Mabt5102A" . "MABT-5102A" . "MK-0822" . "NS 1619" . "LY-2062430" . "2-hydroxysaclofen" . "L-histidyl-L-leucine" . "GA101" . "Chronogyn" . "SCH-13521" . "Drogenil" . "Testred" . "17-methyltestosterone" . "Virilon" . "Mesterone" . "drostanolone" . "Masterone" . "Neumega®" . "Menidrabol" . "Retabolil" . "Nortestosterone decanoate" . "Histidylleucine" . "19-norandrostenolone" . "D-thyroxine" . "D-T4" . "Avage" . "Fabior" . "AGN-190168" . "Delsym" . "Romilar" . "keratinocyte growth factor" . "DX-88" . "FOV2302" . "MK-781" . "Metirosine" . "metyrosine" . "His-leu" . "Emflaza®" . "TH9507" . "(3E)-hex-3-enoylsomatoliberin" . "AMG531" . "SB-497115-GR" . "BY-217" . "BYK-20869" . "Ro-5-4023" . "Ro-54023" . "Antelepsin" . "ibandronate" . "Vicotrope" . "MDL 458" . "Acthar Gel-Synthetic" . "ortrophin-Zinc" . "secretin synthetic human" . "Probampicin" . "Benemid" . "MDL-458" . "Neupogen" . "R-METHUG-CSF" . "levonordefrin" . "α-methylnorepinephrine" . "α-Me-NE" . "T-1401" . "SUN-0588" . "Miradon®" . "antril" . "Anatrol" . "Masteron®" . "d-methorphan" . "Basofortina" . "tetrahydrobiopterin (THB)" . "Zenapax®" . "Prolia®" . "Xgeva®" . "Zevalin®" . "Yervoy®" . "Gazyva®" . "Demser®" . "Kadcyla®" . "Kineret®" . "Tavist®" . "Klonopin®" . "Cortrosyn®" . "Danocrine®" . "Choloxin®" . "Xigris®" . "Kalbitor®" . "Promacta®" . "Xtandi®" . "Maxibolin®" . "Orabolin®" . "Eulexin®" . "o,p'-DDD" . "Lysodren®" . "Durabolin® (phenylpropionate ester)" . "Deca-Durabolin® (decanoate ester)" . "Kepivance®" . "Daliresp®" . "ChiRhoStim®" . "Tazorac®" . "Forteo®" . "trastuzumab-Mcc-Dm1" . "Fortical" . "LS-173874" . "Luveris" . "WIN-20228" . "MG531" . "GDC-0449" . "HhAntag691" . "neodrol" . "SB649868" . "SB-649,868" . "BMS-512148" . "Antagonate" . "Kloromin" . "Isoclor" . "Chlor-Trimeton" . "9-cis-retinoic acid" . "ICI-28257" . "AY-61123" . "MER-41" . "RMI-16289" . "MRL-41" . "G-34586" . "SH-714" . "F-368" . "F-440" . "UK-88525" . "JB-8181" . "EX-4355" . "Iprivask" . "CGP-39393" . "VPC-44116" . "WY-3467" . "LA-III" . "SRG-95213" . "SCH-6783" . "CGP-45840B" . "GP-45840" . "stanolone" . "RG-83606" . "UK-68798" . "R-33812" . "Donep" . "P-3693A" . "(-)-norepinephrine" . "R-14827" . "SC-66110" . "LY-450139" . "GSI-953" . "MDL458" . "roscovitine" . "SCH530348" . "SCH-530348" . "N-acyl ethanolamide phosphate" . "VPC-03090-P" . "VPC 03090-P" . "α-bromomethylene phosphonate" . "AGP 18.1" . "FTY-P" . "fingolimod phosphate" . "TH-1165A" . "R-6218" . "CEP-151" . "myotrophin" . "sermorelin acetate" . "LY-278584" . "MCN-JR-1625" . "R-1625" . "WY-3478" . "S-26308" . "Aludrine" . "HOE-490" . "K-4024" . "CP-28720" . "BD-40A" . "CGP-25827A" . "YM-08316" . "Fentanest" . "MCN-JR-4263-49" . "R-4263" . "Albalon" . "adrenalin" . "l-adrenaline" . "chiauranib (pseudo INN)" . "Transacin" . "CS-2164" . "HF-1854" . "Dergotamine" . "Cosopt Pf" . "5-azadeoxycytidine" . "R-41400" . "CN-35355" . "INF-3355" . "CI-473" . "Methoxamedrine" . "CGP-2175C" . "GP-2175E" . "ORG GB 94" . "R-14889" . "SPM-925" . "EN-1733A" . "BAY-A-1040" . "BAY-E-9736" . "LY-170053" . "CS-866" . "GR-38032F/GR-38032" . "Hazol" . "Navisin" . "SCH-9384" . "ICI-50123" . "AY-6608" . "SB 705498" . "SB-705498" . "AMG-517" . "AMG 517" . "Phenotolamine" . "R-6238" . "Calvisken" . "LB-46" . "AY-21011" . "ICI-50172" . "U-98528E" . "SND-919CL2Y" . "CP-12299-1" . "GNF-Pf-4594" . "ZM-204636" . "GR-122311X" . "AH-19065" . "TVP-1012" . "Teldrin®" . "Humira®" . "Phenetron®" . "chlorprophenpyridamine maleate" . "Anafranil®" . "Farxiga®" . "Trusopt®" . "Ornidyl®" . "Inspra®" . "SK-108566" . "Halotestin®" . "Xyrem®" . "lysuride" . "Nordefrin®" . "Zantac®" . "Nplate®" . "Geref®" . "Erivedge®" . "Zontivity®" . "RP-54274" . "R-64766" . "ORG-9426" . "MK 966" . "SCH-13949W" . "compound 71a [PMID: 15078212]" . "CP-88059" . "SAS-500" . "cholecalciferol" . "GR-43175C" . "CI-1003" . "CI-970" . "LY-253351" . "BIBR-277SE" . "KWD-2019" . "RMI-9918" . "ezogabine" . "TP-21" . "BA-679-BR" . "Ro-407592" . "KABI-2234" . "Rubex" . "V10XA53" . "RU-44570" . "CI-907" . "indolapril" . "CL-65336" . "trans AMCHA" . "Emergil" . "CP-165331 / CP-16533-1" . "AF-1161" . "ORG NC 45 / ORG-NC 45" . "SL 80.0750-23N" . "RS-079070-194" . "Ro-1079070/194" . "CGP-48933" . "CGP-42446" . "Musculax" . "CI-673" . "LAF-237" . "NVP-LAF237" . "Ro 16-6028" . "Ro-242027000/Ro-24-2027-000" . "LJC-10846" . "ZAL-846" . "CL-284846" . "A-64077" . "SO-26991" . "311C90" . "A-44090" . "ACY-1215" . "DMASA" . "SADH" . "B 995" . "epigallocatechin gallate" . "FK228" . "FR901228" . "GSK 525762A" . "CS-0717" . "MGCD0103" . "MS-275" . "SNDX-275" . "QC-216" . "RTK1" . "Depacon" . "Stavzor" . "Depakene" . "compound 2g [PMID: 16950620]" . "Divalproex Sodium" . "Alar" . "Kylar" . "B-NINE" . "GYKI-53655" . "GYKI 53655" . "LY-293,558" . "LY293558" . "MK-801" . "TV-02H" . "[3H]CGP 61594" . "THIP" . "TAK-875" . "S 18886" . "MK-0974" . "MK-0677" . "LY573144" . "KH1060" . "GR 32191" . "EB1089" . "CP-533536" . "CP-544326" . "clorgyline" . "CGS19755" . "BIBF-1120" . "P33" . "P61" . "A779" . "C21" . "CP-8805927" . "DAB389 IL2" . "LY 335348" . "fumaric acid" . "Fumaderm" . "BG-12" . "DM 1451" . "[125I]azidoiodoketanserin" . "[125I]AZIK" . "[125I]-iodovinyltetrabenazine" . "ABT 299" . "ABT 491" . "JCF109" . "ML273" . "SSR103800" . "phosphatidylinositol 3,5-bisphosphate" . "PI(3,5)P2" . "[3H]DOTG" . "[3H]dihydrotetrabenazine" . "ICA-17043" . "E7070" . "AD-810" . "CI-912" . "PD-110843" . "methylguvacine" . "F-Ara-A" . "CCRIS 3382" . "2-F-Ara-A" . "DL-alpha-methyltyrosine" . "INT-777" . "tetrallobarbital" . "Alrex" . "Ontak®" . "Tecfidera®" . "Granocyte®" . "Demser®" . "metyrosine" . "N-methylguvacine" . "Istodax®" . "Depakote®" . "Norcuron®" . "Zonegran®" . "levcycloserine" . "Seromycin®" . "Seromycin®" . "JJKK-048" . "Xermelo®" . "LX1606" . "LX 1606" . "6α-ethyl-23(S)-methyl-cholic acid" . "ALX-0600" . "CP101606" . "thyroliberin" . "E2007" . "ER-155055-90" . "Sorbitrate" . "IS-5-MN" . "BM-22-145" . "AHR-4698" . "Monoket" . "Nitrol" . "Rectiv" . "Tridil" . "Nitronal" . "Nitromist" . "Nitrostat" . "glyceryl trinitrate" . "SK&F96365" . "ω-CTx-MVIIC" . "ZD-6021" . "ZK 110841" . "YM-348" . "J-113,397" . "MDL-100,907" . "MEN 15596" . "PPM-18" . "NSC 73233" . "AF-DX 116" . "AMI-193" . "CP-101,606" . "HC056456" . "SKF-96365" . "compound 41 [PMID: 15771431]" . "EE3-ME" . "4-C-32" . "53-32C" . "7162 RP" . "IL-6001" . "A-19120" . "MO-911" . "A-4020 Linz" . "ST-1085" . "A-5610" . "E-0659" . "W-2979M" . "A-8103" . "AA-673" . "CHX-3673" . "ABBOTT-45975" . "compound 2H [PMID: 15863312]" . "Urso 250" . "Ursodiol" . "Urso Forte" . "ADR-529" . "ICRF-187" . "Nasarel" . "Nasalide" . "Aerospan hfa" . "AF-2139" . "Afrinol" . "Novafed" . "Pseudophed" . "Sudafed 12 Hour" . "Sudafed 24 Hour" . "AG-1749" . "A-65006" . "meperidine" . "LX-1606" . "Anagrelide Hydrochloride" . "AH-5158A" . "SCH-15719W" . "AHR-10282B" . "example 32 [US20100298358A1]" . "EBP520" . "EBP-520" . "AHR-619" . "Akpro" . "Dipivefrin Hydrochloride" . "AL-02145" . "AL-3432A" . "AL-6221" . "Alavert" . "Loratadine" . "Claritin Reditabs" . "Children's Claritin" . "Loratadine Redidose" . "Claritin Hives Relief" . "Claritin Hives Relief Reditab" . "Kainair" . "Ophthaine" . "Ophthetic" . "Alfentanil" . "Algil" . "Lidol" . "Alodan" . "Dolsin" . "Dolosal" . "Mialgin" . "Dispadol" . "Dolantin" . "Mefedina" . "Pethanol" . "Dolestine" . "Piridosal" . "Centralgin" . "Spasmodlin" . "Isonipecaine" . "Petidin Dolargan" . "Meperidine Hydrochloride" . "alisobumal" . "SCH503034" . "allylbarbituric acid" . "itobarbital" . "Alfenta®" . "Rapifen®" . "Cytadren®" . "Akineton®" . "Agrylin®" . "Propine®" . "Rev-Eyes®" . "AeroBid®" . "Dilatrate-Sr®" . "Isordil®" . "Imdur®" . "Claritin®" . "Demerol®" . "Minitran®" . "Alamast®" . "Fycompa®" . "Alcaine®" . "proparacaine hydrochloride" . "Paracaine®" . "Sudafed®" . "pseudoephedrine hydrochloride" . "AcipHex®" . "Carafate®" . "Ulcerlmin" . "Gattex®" . "Revestive®" . "Actigall®" . "PBT1033" . "PBT-2" . "Prometa" . "ametazole" . "amiselimod-P" . "Flexeril" . "Antara" . "Lipidil" . "Lipofen" . "Triglide" . "Fenoglide" . "Fenofibrate" . "Antrenyl" . "CYM5541" . "Arquel" . "Movens" . "Meclodium" . "Meclophenamic Acid" . "Meclofenamate Sodium" . "CYM 5541" . "Tremin" . "ASL-603" . "Astepro" . "Optivar" . "Optilast" . "Vanos" . "Azelastine Hydrochloride" . "ASTRA 1512" . "L-67" . "Orgatrax" . "Hy-Pam %2225%22" . "Hydroxyzine" . "Axid ar" . "Nizatidine" . "AY-24236" . "Azathioprine" . "ML249" . "Azolid" . "Antadol" . "Elmedal" . "Butaject" . "Equiphar" . "Pro-Bute" . "Phenylbutazone" . "BA-39089" . "Bamate" . "Mepriam" . "Tranmep" . "ML-249" . "Neuramate" . "benzhexol" . "SCH-4831" . "Biotal" . "Anestatal" . "Thioseconal" . "Bisbid" . "Sinlestal" . "BL-191" . "BL-4162a" . "BM-02015" . "AC-4464" . "AC4464" . "BMY-13754" . "MJ-13754-1" . "BMY-26517" . "Brek" . "Tebloc" . "Imodium A-D" . "Imodium Advanced" . "Imodium A-D Ez Chews" . "Brietal" . "Brevimytal" . "Brevital Sodium" . "BRL-14777" . "Bucladin-S" . "Butalan" . "Sarisol" . "Butabarb" . "Buticaps" . "Butabarbital" . "Sarisol No. 1" . "Sarisol No. 2" . "Butisol Sodium" . "Butabarbital Sodium" . "Sodium Butabarbital" . "BW-323" . "BW-57-322" . "BWB109OU" . "BY-1023" . "SK-96022" . "Fluocet" . "Fluonid" . "Dermotic" . "Fluotrex" . "Retisert" . "Synalar-Hp" . "Derma-Smoothe/Fs" . "Captol" . "Coretal" . "Betaderm" . "Betatrex" . "Taclonex" . "Valisone" . "Axert®" . "Aphthasol®" . "Amlexanox®" . "Azasan®" . "Imuran®" . "Rhinolast®" . "Astelin®" . "bretylium tosylate" . "Bretylol®" . "Ambodryl®" . "Butisol®" . "Antabuse®" . "Brevibloc®" . "Aromasin®" . "Tricor®" . "Capex®" . "Synalar®" . "Vistaril®" . "Atarax®" . "hydroxyzine hydrochloride" . "hydroxyzine pamoate" . "Imodium®" . "Lotemax®" . "Meclomen®" . "Miltown®" . "Equanil®" . "metaraminol bitartrate" . "Aramine®" . "Brevital®" . "methohexitone" . "Bystolic®" . "Axid®" . "Alupent®" . "metaproterenol sulfate" . "benoxinate hydrochloride" . "disodium pamidronate" . "Aredia®" . "Butazolidine®" . "Lorelco®" . "Surital®" . "Artane®" . "Laracor" . "Tevacor" . "Corbeton" . "Trasicor" . "Trasidex" . "Slow-Pren" . "Trasitensin" . "Slow-Trasicor" . "Cardura Xl" . "Carteolol" . "Carteolol Hydrochloride" . "daunorubicin hydrochloride" . "Nupercaine ®" . "AP-3152 free acid" . "BAY-579352" . "CB-1678" . "WY-1359" . "CC-5013" . "CDC-501" . "CCI-18781" . "CCNU" . "CCRG-81045" . "M-39831" . "CGP-23339AE" . "chlorbutin" . "chlormethazanone" . "CI-982" . "ACC-9653-010" . "cincaine chloride" . "BAY579352" . "BAY 57-9352" . "Bay-57-9352" . "Citanest Plain" . "Citanest Plain Dental" . "alflutinib (pseudo INN)" . "CL-232315" . "CL-34699" . "INF-4668" . "CL-583" . "CN-10395" . "PM-671" . "CI-366" . "Compro" . "Procomp" . "Prochlorperazine" . "CP-16171" . "CP-24314-1" . "CP-2431414" . "CP-24314-14" . "Amcinonide" . "Pentolair" . "Akpentolate" . "Ak-Pentolate" . "Cyclogyl Otic" . "D-2083" . "Daricon" . "Daunoxome" . "Oxaprozin" . "Daypro Alta" . "Depen" . "Trolovol" . "AST 2818" . "D Penicillamine" . "D Mercaptovaline" . "Verdeso" . "Desonate" . "Desonide" . "DH-581" . "Lufyllin" . "Dilor-400" . "Neothylline" . "Dimetane" . "Dimetane-Ten" . "Disipal" . "Norflex" . "Diflunisal" . "Stimulexin" . "AST-2818" . "Adriblastina" . "Adriamycin Pfs" . "Adriamycin Rdf" . "Dralzine" . "Dridol" . "Droperidol" . "DS-103-282" . "AN-021" . "DU-21220" . "DV" . "Dienestrol" . "Dolobid®" . "example 3 [US10072002B2]" . "Cyclocort®" . "brompheniramine maleate" . "carbinoxamine maleate" . "Clistin®" . "Cartrol®" . "Ocupress®" . "Cyclogyl®" . "ASK120067" . "Cerubidine®" . "BGB-324" . "Desowen®" . "Desloratadine" . "Clarinex®" . "Dopram®" . "Cardura®" . "Doxil®" . "doxorubicin hydrochloride" . "Adriamycin®" . "Inapsine®" . "Droleptan®" . "Dilor®" . "Didronel®" . "etidronate disodium" . "Dalmane®" . "Cerebyx®" . "Doriden®" . "Cyclaine®" . "Apresoline®" . "dicodid" . "mercodinone" . "Corvert®" . "Chirocaine®" . "Celontin®" . "CeeNU®" . "Daypro®" . "Trasacor®" . "Centrax®" . "phenoxybenzamine hydrochloride" . "Dibenzyline®" . "Citanest®" . "Compazine®" . "prochlorperazine edisylate" . "prochlorperazine maleate" . "Doral®" . "Cialis®" . "Adcirca®" . "Demadex®" . "dyclocaine" . "Dyclone" . "E-3810" . "Effexor Xr" . "EMD-33512" . "CL-297939" . "Emete-Con" . "EN-313" . "compound 17a" . "AM152" . "Estinyl" . "Lynoral" . "Feminone" . "Etinestryl" . "Follicoral" . "TC LPA5 4" . "Exalgo" . "Dilaudid-Hp" . "EXNA" . "Urese" . "FCE-24304" . "FI-6339" . "NDC-0082-4155" . "RP-13057" . "Flonase" . "Cutivate" . "Flovent Hfa" . "Flovent Diskus 50" . "Flovent Diskus 100" . "Flovent Diskus 250" . "Florone" . "Florone E" . "Psorcon E" . "Diflorasone Diacetate" . "Fluxid" . "Pepcid Ac" . "Pepcid Rpd" . "Oxylone" . "Fluor-Op" . "Fml Forte" . "G-33182" . "GI-87084B" . "GP-47680" . "KIN-493" . "GR 2/925" . "CCI-4725" . "GS-95" . "H-4723" . "HR-376" . "LM-2717" . "HC-20511" . "Heavy Solution Nupercaine" . "HMS" . "HOE-893d" . "HOE-39-893d" . "Hycamptin" . "Thalitone" . "Chlorthalidone" . "I-653" . "IC-351" . "Ifosfamide" . "Ifsofamide" . "IL-17803A" . "IMI-30" . "Indicol" . "Levicon" . "Nilverm" . "Totalon" . "Levasole" . "Ripercol" . "Telskoot" . "Tramisol" . "Verban-H" . "Spartakon" . "Ergamisole" . "Tetramisole" . "Invega Sustenna" . "Apraclonidine Hydrochloride" . "isoethadione" . "K-17" . "KW-4679" . "ALO-4943A" . "LAS-31416" . "PNU-180638E" . "laway" . "Leukerin" . "Mercaleukin" . "Mercaptopurine" . "Harmonyl®" . "Invega®" . "Norgesic" . "Leritine®" . "Hexalen®" . "Iopidine®" . "Aquatag®" . "Fovane®" . "Histalog®" . "Leukeran®" . "Hygroton®" . "Urbanol®" . "Estraguard®" . "Psorcon®" . "Hispril®" . "Emadine®" . "Ethrane®" . "Elestat®" . "epinastine hydrochloride" . "Edecrin®" . "Pepcid®" . "Flarex®" . "FML®" . "Flovent®" . "Frova®" . "Hylorel®" . "Ismelin®" . "Palladone®" . "Dilaudid®" . "hydromorphone hydrochloride" . "Ifex®" . "Inocor®" . "amrinone lactate" . "Zaditor®" . "Ergamisol®" . "Purinethol®" . "Gemonil®" . "Enduron®" . "Aquatensen®" . "Ethmozine®" . "Invagesic®" . "Eutonyl®" . "Feldene®" . "Kemadrin®" . "Largon®" . "Estrovis®" . "Hydromox®" . "Hytrin®" . "Hycamtin®" . "Halcion®" . "Effexor®" . "Lidex-E" . "MR-6S4" . "Fluocinonide Emulsified Base" . "compound 4 [PMID: 22801643]" . "Lodine Xl" . "example 14 [WO2001023375A2]" . "LU-26-054-0" . "Luvox cr" . "LY-139037" . "LY-139603" . "BGB 324" . "R-428" . "R428" . "BGB324" . "BMS-650032" . "BMS650032" . "Sunvepra™" . "compound 24 [PMID: 24564672]" . "Victrelis®" . "Maxair Autohaler" . "McN-2559-21-98" . "MCN-2559" . "M-Predrol" . "Depmedalone" . "Depo-Medrol" . "Solu-Medrol" . "Medrol Acetate" . "Methylprednisolone" . "mesuximide" . "Metipranolol" . "Metofane" . "Pentrane" . "GC376" . "Mutamycin" . "Mitozytrex" . "AZP-531" . "MJ-1999" . "MJF-9325" . "Z-4942" . "MK-130" . "MK-208" . "MK-240" . "MK-360" . "E233" . "MK-595" . "MK-790" . "Moderil" . "Cinnasil" . "MR6S4" . "Mydriafair" . "Tropicacyl" . "Metahydrin" . "Trichlorex" . "Trichlormas" . "Naturetin-5" . "Naturetin-10" . "Naturetin-2.5" . "NC-123" . "TPS-23" . "Serzone" . "Neosar" . "Sendoxan" . "Nesacaine-Mpf" . "nitrogen mustard N-oxide hydrochloride" . "mustine" . "nitrogen mustard" . "Norpace Cr" . "NRP104" . "NSC-25953" . "NSC-26980" . "mitomycin C" . "Numotac" . "Isoetarine" . "Isoetharine Mesylate" . "Isoetharine Hydrochloride" . "Isoetharine Hydrochloride S/F" . "OLUX" . "Cormax" . "Olux E" . "Embeline" . "Embeline E" . "Temovate E" . "Opana Er" . "Numorphan" . "OPC-1085" . "ABBOTT-43326" . "OPC-13013" . "OPC-21" . "ORF-10131" . "RWJ-10131" . "dexnorgestrel" . "Optimine®" . "Busulfex IV®" . "Myleran®" . "Nesacaine®" . "chloroprocaine hydrochloride" . "Onfi®" . "Clobex®" . "Temovate®" . "Marezine®" . "Cytoxan®" . "Norpace®" . "Rythmodan®" . "Lexapro®" . "Lodine®" . "Locorten®" . "Lidex®" . "Luvox®" . "Lozol®" . "Marplan®" . "Bronkosol®" . "Bronkometer®" . "Lorfan®" . "Naloxiphan®" . "Mustargen®" . "Mobic®" . "Mesantoin®" . "Penthrane®" . "Medrol®" . "Noludar®" . "Optipranolol®" . "Mitosol®" . "Novantrone®" . "Mivacron®" . "Nefadar®" . "506U78" . "MAY" . "Opana®" . "oxymorphone hydrochloride" . "Levatol®" . "Nardil®" . "phenelzine sulfate" . "Maxair®" . "Matulane®" . "Naqua®" . "Mydriacyl®" . "Navelbine®" . "ORG-2969" . "ORG-3770" . "ORG-6216" . "Orvaten" . "Oxandrin" . "Oxandrolone" . "Oxecta" . "Oxycontin" . "P-2525" . "P-2647" . "P-5604" . "HGP-1" . "Pataday" . "Patanase" . "Paxipam" . "PBZ" . "Pbz-Sr" . "example 74 [US8962630]" . "Kisqali®" . "Polocaine-Mpf" . "Scandonest Plain" . "Isocaine Hydrochloride" . "Arestocaine Hydrochloride" . "Histidine-Leucine-Lopinavir" . "Prevacid iv" . "His-Leu-LPV" . "Prevacid 24hr" . "Prevacid Solutab" . "Prevacid Delayed Release" . "Priscol" . "Benzidazol" . "Priscoline" . "Protonix Iv" . "alaphosphin" . "Quensyl" . "Ercoquin" . "Oxichlorochine" . "Hydroxychloroquine Sulfate" . "R-12564" . "Gamma-d-glutamyl-meso-diaminopimelic acid" . "R-18553" . "R-2113" . "HOE-304" . "A-41-304" . "R-25061" . "R-39209" . "R-4749" . "McN-JR-4749" . "R-65824" . "Ro-67555" . "Rayos" . "Cortan" . "Orasone" . "Paracort" . "Deltasone" . "Fernisone" . "Servisone" . "Delta-Dome" . "Meticorten" . "Prednisone" . "recanescin" . "Remeron Soltab" . "Remsed" . "Anergan" . "Zipan-25" . "Zipan-50" . "Protazine" . "Promethacon" . "Promethegan" . "Promethazine" . "Prometh Plain" . "Prometh Fortis" . "Mymethazine Fortis" . "Promethazine Plain" . "Requip Xl" . "Ropinirole Hydrochloride" . "Rimadyl" . "Daytrana" . "Methylin" . "Ritalin LA" . "Ritalin La" . "Ritalin SR" . "Metadate CD" . "Metadate ER" . "Methylin ER" . "Quillivant XR" . "Methylphenidate Hydrochloride" . "Ro-205720000" . "Ro-4646711" . "Ro-4-6467/1" . "Ro-5-6901" . "Ro-76477" . "Ro-92670" . "RS-3999" . "RS-43285-003" . "CVT-303" . "RS-43285" . "Diucardin" . "Hydroflumethiazide" . "SB-209509-AX" . "VML-251" . "SC-11585" . "SC-11800" . "SC-7031" . "SC-13957" . "SCH-10649" . "Proketazine®" . "Quantril®" . "Pletal®" . "Plavix®" . "Pristiq®" . "Placidyl®" . "Parsidol®" . "Peganone®" . "Ro-56901" . "Saluron®" . "Plaquenil®" . "Prevacid®" . "Revlimid®" . "Orlaam®" . "Carbocaine®" . "Polocaine®" . "mepivacaine hydrochloride" . "Concerta®" . "Ritalin®" . "Proamatine®" . "Remeron®" . "Relafen®" . "Patanol®" . "Roxicodone®" . "oxycodone hydrochloride" . "Protonix®" . "Paradione®" . "Phenurone®" . "Renese®" . "Sterapred®" . "Phenergan®" . "Ranexa®" . "Requip®" . "Profenal®" . "SCH-12041" . "SCH-16134" . "SCH-29851" . "SCH-34117" . "Acebutolol Hydrochloride" . "Zaxopam" . "methylpromazine" . "SJ-1977" . "metixene" . "SK&F-101468-A" . "SK&F-101468A" . "SK-478" . "SK&F-478A" . "K-478-A" . "SK&F-478-J" . "SK-S-104864-A" . "SL-501" . "SL-77499-10" . "SL-7749910" . "SL-8052" . "Sorine" . "Betapace Af" . "Verophene" . "Tranquazine" . "Promazine Granules" . "Promazine Hydrochloride" . "SQ-9538" . "SR-25990C" . "Stangyl" . "Rhotrimine" . "Staxyn" . "Atomoxetine Hydrochloride" . "SU-5864" . "β-alanyl-lysyl-N-7-amino-4-methylcoumarin-3-acetic acid" . "TBZ" . "Equizole" . "Mintezol" . "Omnizole" . "TCMDC-125842" . "Beta-Ala-Lys-N(epsilon)-AMCA" . "Gamma-D-Glu-mDAP" . "iE-DAP" . "example 62 [WO2016177845A1]" . "AZD-9898" . "Temaril" . "Vanectyl" . "Vallergan" . "Trimeprazine Tartrate" . "Temaz" . "Tenuate" . "Tepanil" . "Tenuate Dospan" . "Tepanil Ten-Tab" . "TH-152" . "Thalomid" . "THAM" . "Tolectin DS" . "Tolectin 600" . "Topicort Lp" . "Desoximetasone" . "TORA" . "WILPO" . "Fastin" . "Oby-Trim" . "Ona-Mast" . "Suprenza" . "Obestin-30" . "Phentermine Resin 30" . "Totect" . "NB360" . "NB 360" . "BAY293" . "Travatan Z" . "Pentoxil" . "Oxtellar Xr" . "Oxcarbazepine" . "trimeprazine" . "trometamol" . "U-23000" . "U-28288D" . "CL-1388R" . "U-31889" . "U-33030" . "U-34865" . "U-67590A" . "U-70226E" . "U-8471" . "UCB-4445" . "UDCA" . "UHAC-62XX" . "ULO" . "Decapryn" . "Doxy-Sleep-Aid" . "Doxylamine Succinate" . "Alfuzosin Hydrochloride" . "Uticort" . "Beta-Val" . "Valisone" . "Sectral®" . "Uroxatral®" . "Strattera®" . "Trancopa®" . "Tace®" . "Suprane®" . "Topicort®" . "Zinecard®" . "diethylpropion hydrochloride" . "UK-3327427" . "Unisom®" . "Urispas®" . "Normodyne®" . "Trandate®" . "Serentil®" . "methdilazine hydrochloride" . "Tacaryl®" . "Trest®" . "Serax®" . "Trileptal®" . "Trental®" . "Adipex-P®" . "phentermine hydrochloride" . "Ionamin®" . "Sparine®" . "Ultiva®" . "Ultane®" . "Sojourn®" . "Betapace®" . "Restoril®" . "Temodar®" . "Temodal®" . "Teslac®" . "Torecan®" . "Ticlid®" . "Tonocard®" . "Tolectin®" . "Travatan®" . "Tridione®" . "Surmontil®" . "Levitra®" . "Betasolan" . "Celestone" . "PD 0332991" . "VUAB-6453" . "BM-01004" . "VUAB6453" . "W-3566" . "W-36095" . "W-4020" . "W-61" . "WIN-3406" . "WIN-40680" . "WY-21743" . "WY-2445" . "WY-3498" . "WY-3917" . "WY-45233" . "Xanax Xr" . "Alprazolam" . "L-asparagine amidohydrolase" . "Idamycin Pfs" . "Idarubicin Hydrochloride" . "Idarubicin Hydrochloride Pfs" . "Aplenzin" . "Forfivo Xl" . "Wellbutrin Sr" . "Wellbutrin Xl" . "Bupropion Hydrochloride" . "AZD1152" . "r-metHuLeptin" . "R-methuleptin" . "TRV130A" . "BMS-936558" . "MDX-1106" . "ONO-4538" . "EHT-0202" . "SQ 20009" . "GI-7977" . "PTC124" . "AMG-145" . "NPC-14" . "arbekacin sulfate" . "flutemetamol F18" . "[18F]flutemetamol" . "18F-flutemetamol" . "florbetapir (18F)" . "BIA 2-194" . "AV-45" . "Erwinaze" . "Kidrolase" . "L-asparaginase" . "asparaginase" . "SYR-322" . "TA-7284" . "JNJ-28431754" . "IMID-3" . "CC-4047" . "Actimid" . "FC-1271" . "Brintellix®" . "Erelib" . "Stedesa" . "acyclovir" . "S-licarbazepine" . "Lu AA21004" . "ACT-064992" . "GW642444X" . "WAY-140424" . "Aprela" . "Duavee" . "TSE-424" . "6-mercaptopurine" . "SAM-531" . "WAY-262531" . "PF-05212365" . "HOE 144" . "HOE-144" . "ACT-078573" . "Ro4929097" . "KB-145943" . "BRD 4770" . "C-24" . "ISIS 301012 parent acid" . "GSK1349572" . "GSK-1349572" . "GSK 1349572" . "S-349572" . "NND-502" . "PR-2699" . "TMC 435" . "TMC 435350" . "TMC-435" . "TMC435" . "PSI 7977" . "CC-10004" . "AC1O7Y2P" . "SB 659032" . "GSK525762" . "RVX-000222" . "SCH727965" . "HY-16297A" . "CS-1230" . "LY 2835219" . "Vizamyl" . "Niravam®" . "Xanax®" . "vasocon-A" . "Otezla®" . "Viviant®" . "Conbriza®" . "Zebeta®" . "Bromday®" . "Xibrom®" . "Wellbutrin®" . "Zyban®" . "Elspar®" . "O-desmethylvenlafaxine (ODV)" . "Valmid®" . "Zarontin®" . "Zavedos®" . "Idamycin®" . "Vyvanse®" . "Opsumit®" . "Wyamine Sulfate®" . "Myalept®" . "Kynamro®" . "Vercyte®" . "Pomalyst®" . "Vivactil®" . "Vexol®" . "Yutopar®" . "Zanaflex®" . "LEE-011" . "MEDI-538" . "MT-103" . "L01XC09" . "GSK716155" . "Ro-0728804" . "Sgd 101/75" . "AVE-0010" . "TRK820" . "TAK-013" . "MDP-Hex-Rhodamine B" . "LDK378" . "MT103" . "γ-D-glutamyl-meso-diaminopimelic acid" . "glycylsarcosine" . "SR 121463A" . "SR 49059" . "SR48692" . "SR 27417" . "NUC-1031" . "S-145" . "SAM486A" . "ONO 3708" . "OPC-31260" . "NAD 299" . "IMC-1121B" . "L-DOPS" . "SM-5688" . "Gly-Sar" . "BMN 110" . "rhGALNS" . "VEC-162" . "BMS-214778" . "XOMA-052" . "HuMax-CD38" . "3003-005" . "AC002993" . "AC 2993" . "AC2993A" . "JNJ-54767414" . "CNTO 328" . "L-Ala-γ-D-Glu-mDAP" . "cLLB8" . "OSIP-339391" . "GR-50,360" . "dironyl" . "inhibitor 1 (Brown et al., 2000)" . "SB 223412" . "SB-223,412" . "SB-223412" . "MDL-11,939" . "(R)-niguldipine" . "(+)-niguldipine" . "MJ-9022-1" . "MCN-JR-6218" . "(-)-quinpirole" . "GS-5745" . "ergonovine" . "CL-62362" . "CL-71563" . "SUM-3170" . "R-47465" . "(-)-benzetimide" . "l-benzetimide" . "CERM-1978" . "PN-200-110" . "tioctic acid" . "NPS R-568" . "MCI-9038" . "DK-7419" . "GN-1600" . "MD-805" . "Gn1600" . "peptide boronate" . "MPC-7869" . "isosulfan blue" . "TZP101" . "TZP-101" . "TZP 101" . "tris" . "SCH-18020W" . "Beconase" . "Vancenase" . "Qnasl" . "ethylpropion" . "ETH-CAT" . "AV-411" . "MN-166" . "adipiodone meglumine" . "radio-cholografin" . "R-805" . "Mesulid" . "Nimed" . "Aulin" . "Fansidol" . "Flogovital" . "Nidol" . "Nide" . "acetophenetidin" . "KC-404" . "Kyorin" . "Eyevinal" . "Cholografin" . "Cholospect" . "Transbilix" . "iodipamic acid" . "ZD1694" . "ICI-D-1694" . "AY-27773" . "AY-27,773" . "BMS 180,291" . "Alecardio" . "R-1439" . "Ariflo" . "SB-207499" . "PD-0348292" . "flavopiridol" . "NSC-649890" . "MDL-107826A" . "Removab®" . "Cyramza®" . "Eperzan®" . "Tanzeum®" . "Zykadia®" . "Northera®" . "Ketas®" . "Lyxumia®" . "Tomudex®" . "Hetlioz®" . "Alredase®" . "all-trans-retinoic acid (ATRA)" . "GW 427353" . "GW427353" . "GW-427353" . "compound 38 [PMID: 16640337]" . "KW 6002" . "Bavencio®" . "Noctiva®" . "AM-111" . "GW806742X" . "compound 23 [PMID: 15990302]" . "Zejula®" . "Dupixent®" . "Galardin" . "GM 6001" . "CS 610" . "Plicera" . "isofagomine" . "iso-fagomine" . "IDD-676" . "IDD-000676-01" . "methodichlorophen" . "DDMP" . "NSC-19494" . "BW-197U" . "NSC7364" . "PF-00734200" . "CP-45634" . "ABT-888" . "NSP-989" . "FK-366" . "FR-74366" . "CP-73850" . "SCH 530348" . "PR-171" . "S20 (racemate)" . "S20 racemic mixture" . "AH-23848" . "AH 23848" . "(-)-AH23848" . "compound 52 [PMID: 18600475]" . "U62066" . "NS-11757" . "compound 26a [PMID: 16216508]" . "U-101,387" . "Arxxant" . "(-)-quadazocine" . "SM-21" . "(RS)-SM21" . "(±)-SM21" . "(R)-(+)-HA-966" . "Recentin" . "AR-100" . "SCH-900395" . "(±)-norfenfluramine" . "(S)-norfenfluramine" . "(+)-lysergic acid" . "compound 10b [PMID: 11504634]" . "GR159897" . "(+)-flesinoxan" . "Ocrevus®" . "PF-00299804" . "compound 23 [PMID: 30683722]" . "(+)-tubocurarine" . "BG 9928" . "OSI-906" . "ASP-7487" . "KRX-0401" . "NSC 639966" . "D 21266" . "E 7080" . "ER-203492-00" . "WAY-100,635" . "EMD-68-843" . "EMD-515259" . "SB-659746-A" . "KW-6002" . "MK-0524" . "rapamycin" . "isopulegol" . "coolact P" . "dibutyryl cAMP" . "Aurorix" . "Amira" . "Clobemix" . "Depnil" . "Clorix" . "GNF-Pf-695" . "roofies" . "ONO-4819" . "ONO4819" . "R848" . "R-848" . "TKI 258" . "Estorra" . "(S)-zopiclone" . "RP-27267" . "Imovane" . "AZP531" . "MF266-3" . "LS-193774" . "conotoxin GV" . "BQ-3020" . "xenin-25" . "IMGN901" . "BB-10901" . "TL32711" . "NDP-MSH" . "ACT-078" . "Eloxatine" . "[11C]MDL100907" . "[35S]MK-0677" . "compound 20 [PMID: 31749910]" . "vincaleukoblastine" . "RWJ-60235" . "O-Acetyl-L-carnitine" . "RU-24969" . "RU-24,969" . "PD 135158" . "ICI-204,448" . "S-14,506" . "TG 003" . "PD-140,548" . "SR 140333" . "SR 140,333" . "E-4031" . "tetragastrin" . "K00592a" . "CCG-204473" . "inositol 1,4-bis(phosphate)" . "CTK8E9894" . "AGN-PC-005HH0" . "S-1320" . "Rhinocort" . "Entocort Ec" . "Levocarnitine acetyl" . "F-2695" . "[11C]WAY-100635" . "Ixel" . "Dalcipran" . "Toledomin" . "GR-159,897" . "Savella®" . "A 841720" . "L-Acetylcarnitine" . "Fetzima®" . "Entyvio®" . "Pulmicort®" . "Kyprolis®" . "Lunesta®" . "Provocholine®" . "Manerix®" . "Eloxatin®" . "Regranex®" . "Viibryd®" . "Zimovane®" . "ALCAR" . "LDP02" . "MLN-0002" . "LDP-02" . "2-thio-UTP" . "AEGR-733" . "homoharringtonine" . "BMS-201038" . "Procysbi" . "CI-9148" . "L-1573" . "Perceptin" . "AMR-101" . "icosapentate" . "PEP-005" . "PRGCD" . "YM-178" . "Kalydeco®" . "microplasmin" . "AF37702" . "TA-1790" . "4-aminopyridine" . "LAS W-330" . "LAS-34273" . "MLN-002" . "Bretaris Genuair" . "Eklira Genuair" . "BMS-068645" . "Elelyso®" . "AFP-168" . "MK-2452" . "AFP-172" . "Provir" . "SP-303" . "GSK2245840" . "Virend" . "VX-770" . "HHT" . "CGX-635" . "ZM-241,385" . "ZK-93426" . "Y-24180" . "Translarna" . "SRT-2104" . "SA3" . "AZD6140" . "SA-3" . "AR-C126532XX" . "A-349,821" . "Possia" . "QAB149" . "QAB-149" . "CP20" . "APO-66" . "RTA-401" . "Toviaz®" . "EL-970" . "Neurelan" . "fampridine" . "Fampyra" . "GI-198745" . "GG-745" . "OE-312" . "AHR-504" . "Cuvposa" . "Tarodyn" . "Ella" . "Esmya" . "CDB-2914" . "VA2914" . "pictrelisib" . "SM-13496" . "NPS-2143" . "puricase" . "EC 3.2.1.45" . "SR-33598B" . "JMV 1431" . "Bepreve" . "TAU-284" . "GT-2331" . "SR-29142" . "Zetonna" . "RPR-251526" . "RUF-331" . "CGP-33101" . "ADL 8-2698" . "erlosamide" . "harkeroside" . "SPM 927" . "ADD 234037" . "SPM-907" . "SPM-8272" . "L-755,507" . "W-6309" . "DFBA" . "Aquavan" . "BN-200" . "CG-5503" . "TAPAL" . "Treakisym" . "Ribomustin" . "IP631" . "IP-631" . "Nodapton" . "Banzel®" . "Entereg®" . "Stendra®" . "Treanda®" . "Levact®" . "SDX-105" . "Carbaglu®" . "N-carbamylglutamate" . "Alvesco®" . "Omnaris®" . "Cleviprex®" . "Ferriprox®" . "Durezol®" . "Multaq®" . "Avodart®" . "Lusedra®" . "Voraxaze®" . "Robinul®" . "Onbrez®" . "Arcapta Neohaler®" . "Picato®" . "Vimpat®" . "Latuda®" . "Cystaran®" . "cysteamine hydrochloride" . "Jetrea®" . "Synribo®" . "Omontys®" . "Hematide®" . "Sylatron®" . "Krystexxa®" . "Elitek®" . "Fasturtec®" . "Taflotan®" . "Zioptan®" . "Nucynta®" . "Palexia®" . "Sanctura®" . "EllaOne®" . "VPRIV®" . "Tropez OD" . "Trosec" . "Spasmex" . "Spasmolyt" . "VRT-826809" . "VX-809" . "AC0137" . "Symlinpen" . "BIIB014" . "BIIB 014" . "SC-0735" . "CP-519741" . "CP-51974-1" . "CL-118532" . "SYN-115" . "SYN115" . "YM-905" . "YM-67905" . "ZK-62498" . "Skinoren" . "ATL 313" . "ATL-313" . "MRS-2211" . "B2036-PEG" . "GS-9667" . "RS-25259-197" . "aurothioglucose" . "GW-441756" . "GW 441756" . "Viadur" . "ABBOTT-43818" . "TAP-144" . "Eligard" . "Carcinil" . "BGC20-1531" . "serum trypsin inhibitor" . "alpha 1-antitrypsin" . "A1AT" . "A1PI" . "MRS 2365" . "L-363377" . "rhodamine 123" . "T-1824" . "PEAQX" . "Ins(2,4,5)P3" . "GW 848687X" . "GW-848687X" . "GSK 4716" . "GSK-4716" . "ORG-24598" . "LBH-589" . "LBH589" . "ITF2357" . "ITF-2357" . "gavinostat" . "CP-608,039" . "BI 6015" . "OSI-2040" . "PXD-101" . "PXD101" . "LAQ-824" . "NVP-LAQ824" . "MK-6892" . "lambrolizumab" . "MK-3475" . "CP-1044-J3" . "Anderm" . "RGFP-966" . "RG2833" . "RGFP-109" . "RG-2833" . "RAS2410" . "4SC-201" . "BYK408740" . "JNJ-26481585" . "S7473" . "GNF-Pf-2024" . "scriptide" . "SKF 81297" . "SKF 38393" . "MS120" . "A-740003" . "A 740003" . "WAY-200070" . "WAY 200070" . "CPI203" . "KB-75882" . "GSK1210151A" . "MRS-3558" . "MRS 3558" . "AZD-2281" . "AZD2281" . "NKTR-118" . "QCR-192" . "HY-16586" . "PF-6405761" . "colchicein" . "colchiceine" . "NSC33411" . "AGN-PC-0031SD" . "ARN-2966" . "AMR-69" . "SAR-1118-023" . "SAR-1118" . "SAR 1118" . "AVI-4658" . "BI 10773" . "Stribild" . "GS-9350" . "Cerdelga®" . "GENZ-112638" . "Finacea®" . "Fanapta" . "Zomaril" . "HP-873" . "ORF-11676" . "JF-1" . "Anaquest" . "Nalmephine" . "PNU-165442G" . "Losizopilon" . "Majorpin" . "Nipolept" . "ZM-253270" . "AMG827" . "AMG-827" . "LY-2439821" . "Fablyn" . "Oporia" . "Azelex®" . "Paraderm®" . "Parfenac®" . "nalmetrene" . "Revex® (nalmefene hydrochloride)" . "Aloxi®" . "Esbriet®" . "Symlin®" . "Vesicare®" . "Regurin®" . "TACI-Fc" . "TACI-Ig" . "Tybost®" . "Jardiance®" . "BAM-22" . "lasofoxifene tartrate" . "BI-1744" . "BI-1744-CL" . "BBR-2778" . "norquetiapine" . "dextroamphetamine" . "RG1678" . "paliflutine" . "RO-4917838" . "LU-10171B" . "4306 CB" . "Gen-Xene" . "Tranxene Sd" . "dothiepin" . "Dopress" . "Thaden" . "D 40TA" . "Nuctalon" . "WHR-2908A" . "Emdalen" . "NS-304" . "ACT-293987" . "WY-4082" . "chlorotemazepam" . "methyllorazepam" . "D-TMP" . "pipothiazine" . "Coaxil" . "Tatinol" . "Tianeurax" . "BMS-270394" . "NSC 64087" . "NSC169185" . "cis(Z)-cloflupentixol" . "MM-416775" . "XP-13512" . "stearoyl alpha-lysolecithin" . "rhGAA" . "MRS 2603" . "CS-747" . "6-ethylchenodeoxycholic acid" . "Urorec" . "MRZ-2663BR" . "SQ-26,655" . "AL-6515" . "AHR-9434" . "AHR-5850D" . "AMG145" . "cangitoxin-2" . "CGTX-II" . "cangitoxin-II" . "α-mammal toxin Lqh2" . "Lqh II" . "LqhII" . "neurotoxin magi-4" . "Delta-HXTX-Mg1a" . "δ-hexatoxin-Mg1a" . "Lomont ®" . "Gamanil ®" . "huwentoxin-4" . "Tymelyt ®" . "HwTx-IV" . "compound 1 (allosteric)" . "A-623" . "AMG 623" . "Fc-Agp-3" . "AGP3 peptibody" . "Austedo®" . "β/ω-theraphotoxin-Tp2a" . "β/ω-TRTX-Tp2a" . "ProTx-II" . "PT-II" . "protoxin-2" . "ProTx-2" . "ProTx2" . "HOE-901" . "HOE901" . "Optisulin" . "RTA-408" . "SAR231893" . "REGN668" . "DU-176" . "edoxaban tosylate" . "DU-176b" . "PRT064445" . "PRT4445" . "r-antidote" . "benzo[d]imidazole inhibitors of PRMT4 from BMS" . "RG-6016" . "TIK-301" . "RG6146" . "INT-747" . "Lumizyme®" . "RG1594" . "Alphatrex" . "Sprix" . "PHXA-41" . "XA-41" . "Altocor" . "Altoprev" . "N-methyl-pyrrolidone" . "Myozyme®" . "Sycrest®" . "Spedra®" . "Celexa®" . "Cipramil®" . "Tranxene®" . "Novo-Clopate®" . "Attenade®" . "Focalin®" . "Prothiaden®" . "Dothep®" . "Lixiana®" . "ProSom®" . "Eurodin®" . "Horizant®" . "Regnite®" . "Lantus®" . "Toradol®" . "Acular®" . "lanreotide acetate" . "Linzess®" . "Constella®" . "Mevacor®" . "Relistor®" . "Nevanac®" . "Striverdi®" . "Piportil®" . "Livalo®" . "Effient®" . "Efient®" . "Rapaflo®" . "Silodyx®" . "Stablon®" . "Samsca®" . "LY-156,735" . "OF 1" . "Noctamid®" . "Loramet®" . "SDZ-DJN-608" . "AY-4166" . "SC-65872" . "5-carboxamidotryptamine" . "GR-85548A" . "MK-462" . "MK-A462" . "MK-0462" . "spiroxamide" . "GW 409544" . "SB-272183" . "SB-649915" . "RP-7204" . "(R)-crizotinib" . "ent-crizotinib" . "BC-105" . "R-55667" . "R-5147" . "BMY-13859" . "BMY-13859-1" . "TP 064" . "L-775606" . "R-91274" . "R-91274" . "FI-6337" . "N,N-dimethyltryptamine" . "methylchloroform" . "IL1F5" . "IL-1 related protein 3 (IL1RP3)" . "FSHα" . "INS-365" . "IL-23" . "gamma-butyrolactone" . "SB-236984" . "multilineage-colony-stimulating factor (mCSF)" . "W-5219" . "tumor necrosis factor alpha-induced protein 4 (TNFAIP4)" . "BAY-VA-1470" . "CMP-6" . "Lethidrone" . "N-allyl-normorphine" . "Nalline" . "pCMPS" . "heparin-binding growth factor 6 (HBGF-6)" . "BAM-22P (8-22)" . "farnesyl diphosphate" . "decoic acid" . "MRS-1523" . "E1001" . "Miochol" . "Miochol-E" . "(R)-3-hydroxybutanoate" . "Sch-37370" . "antibiotic 1233A" . "GNF-Pf-1401" . "TCMDC-123931" . "GR 2/234" . "SB-243213" . "R 16470" . "NSC-154020" . "undecanoate" . "undecoic acid" . "WAY-VPA-985" . "TCMDC-139245" . "(RS)-DOM" . "LUF 5831" . "ICI-125211" . "MRS-1476" . "AFQ-056" . "R-89674" . "D-brompheniramine" . "ceruletide diethylamine" . "cerulein" . "caerulein" . "ORG-3236" . "NuvaRing" . "3-keto-desogestrel" . "LEVO-BC-2627" . "Torbutrol" . "Torbugesic" . "R-15403" . "MCN-JR-15,403-11" . "difenoxin hydrochloride" . "Des-acyl ghrelin" . "propoxyphene" . "Dolene" . "Kesso-Gesic" . "Propoxyphene HCl" . "dihydrocodeine bitartrate" . "DF-118" . "Drocode" . "Parzone" . "Paracodin" . "Fortuss" . "levorphanol tartrate" . "levorphanol hydrochloride" . "dihydroindenyl-oxyalkanoic acid" . "R(+)-propranolol" . "dextropropranolol" . "2-PAM" . "Protopam" . "Protopam Chloride" . "Ro-101670000" . "Cyclo(des-acyl ghrelin(6-13))" . "Neotigason" . "flavotoxin A" . "Ro-109359" . "13-cis retinoic acid" . "BIM-22493" . "Sotret" . "Amnesteem" . "Claravis" . "Clarus" . "Roaccutane" . "benztropine" . "benztropine mesylate" . "BML-258" . "PCPA" . "ISDN" . "Lastacaft®" . "Saphris®" . "Beleodaq®" . "Stadol" . "butorphanol tartrate" . "Tymtran®" . "Disomer®" . "Darvon®" . "Dicogesic®" . "Paracodeine®" . "Nexplanon®" . "Implanon®" . "Tegison®" . "Levo-Dromoran®" . "Paxene" . "Duodote" . "Contrathion®" . "pralidoxime chloride" . "Naropin®" . "Narapin" . "methotrimeprazine" . "SK&F-5116" . "RP-7044" . "Tisercin" . "CL-36467" . "CL-39743" . "Nirvan" . "tiludronate" . "SR-41319" . "Tigan®" . "CIPsMBP" . "Hoe 777" . "Hoe-777" . "Peitel" . "S-770777" . "flurandrenolone" . "flurandrenolide" . "FPL-59002" . "nedocromil sodium" . "cromolyn" . "cromoglycate" . "sodium cromoglicate" . "ML-169" . "cromolyn sodium" . "FPL-670" . "Gastrocrom" . "Crolom" . "Nasalcrom" . "Cromoptic" . "AHR-438" . "Rela" . "Sanoma" . "Carisoma" . "L-phenylalanine mustard (L-PAM)" . "Tessalin" . "Ventussin" . "Succitimal" . "Milonton" . "L-659989" . "L-659,989" . "trimetrexate glucuronate" . "CI-898" . "trimethobenzamide hydrochloride" . "Tribenzagan" . "Benzacot" . "Stemetic" . "Tebamide" . "Meballymal" . "Quinalbarbitone" . "W-1655" . "NC-150" . "Pyridiate" . "Baridium" . "Urogesic" . "Sedural" . "Viridium" . "Urodine" . "WIN 35,428" . "guaiphenesin" . "glyceryl guaiacolate" . "Guaiacol Glyceryl Ether" . "Methphenoxydiol" . "Humabid" . "L-sarcolysine" . "BW-467-C-60" . "bethanidine" . "NO-711" . "Lifene®" . "CB-3025" . "melfalan" . "Milontin®" . "LY-2365109" . "U-8344" . "compound 17 [PMID: 27584694]" . "Nordopan" . "Demethyldopan" . "Tiofosfamid" . "Tiofosyl" . "Girostan" . "Androxal®" . "enclomiphene citrate" . "amethopterin" . "Remicade®" . "TA-650" . "Poteligeo®" . "Tysabri®" . "Vectibix®" . "Perjeta®" . "MabThera®" . "Sylvant®" . "Herceptin®" . "R-597" . "D5v8" . "Campral®" . "Glucobay®" . "Acylanid®" . "Soriatane®" . "Tudorza Pressair®" . "Acthar®" . "Differin®" . "Auvi-Q®" . "Thymanax®" . "Aralast®" . "Prolastin®" . "Atenenol®" . "Tessalon®" . "Tenathan®" . "Soma®" . "Intal®" . "Opticrom®" . "Cordran®" . "Haelan®" . "Mucinex®" . "Nosinan®" . "Alkeran®" . "Levoprome®" . "Nozinan®" . "Skelaxin®" . "Abitrexate®" . "Rasuvo®" . "Rapitil®" . "Tilade®" . "Pyridium®" . "Dermatop®" . "Seconal®" . "Tepadina®" . "Skelid®" . "Thioplex®" . "Neutrexin®" . "Uracil Mustard®" . "ISMN" . "carbon monoxide" . "hydrogen sulfide" . "sodium nitroprusside" . "Nitropress" . "ATB 346" . "MLE4901" . "AZD4901" . "IL-36ra" . "Letairis®" . "Fenazox® (Japan)" . "amiloride HCl" . "Levulan®" . "amiodarone hydrochloride" . "Aphthasol®" . "Norvasc®" . "UK-4834011" . "Amvaz" . "amlodipine maleate" . "amlodipine besylate" . "Otrivine antistin" . "Ivemend®" . "Emend for Injection®" . "MK-0517" . "Brovana®" . "YM-08316" . "Aripiprex®" . "Idumed" . "Zadine" . "Edarbi®" . "Beconase®" . "Vancenase®" . "Qnasl®" . "Naturetin®" . "Aprinox®" . "Aprinox®" . "Cogentin®" . "Zonatuss®" . "Talion®" . "SL-75212-10" . "betaxolol HCl" . "Kalumid" . "Calutide®" . "biperiden HCl" . "biperiden lactate" . "Velcade®" . "Bosulif®" . "Natrecor®" . "Mirvaso®" . "Prolensa®" . "Bromfed®" . "Dimetapp®" . "Bromfenex" . "Lodrane" . "WAY-213,613" . "Uceris®" . "Budeson" . "Rhinosol" . "[(3)H]4MG" . "daunomycin cerubidine" . "Marcain®" . "Aminohippurate Sodium®" . "Amphetamine Sulfate®" . "Bedranol®" . "buserelin acetate" . "Metrelef®" . "Caberlin®" . "Miacalcin®" . "Invokana®" . "Carustine®" . "Eucardic®" . "Duricef®" . "Ceporex®" . "Velocef®" . "Infexin®" . "Baycol®" . "Lipobay®" . "Xyzal®" . "Vozet®" . "Ulone®" . "Fenaprim®" . "chlortrianisestrol" . "chlorpromazine HCl" . "Glucamide®" . "Inhibace®" . "Vascace®" . "cimetidine HCl" . "Mimpara®" . "AMG-073" . "JM-8" . "Paraplatin®" . "Paraplatin-AQ" . "Platinol®" . "Litak®" . "Movectro" . "meclastin" . "Tavegil®" . "Frisium®" . "Dermovate®" . "Kapvay®" . "Plenadren®" . "Acticort®" . "Fulyzaq®" . "Cyclapen®" . "Fexmid" . "Amrix®" . "Mydrilate®" . "Endoxan®" . "Procytox" . "Revimmune" . "cytophosphane" . "Neoral®" . "Androcur®" . "Cyprostat®" . "U-19920" . "daunomycin" . "Treyzafagit®" . "Precedex®" . "Cardioxane®" . "Nupercainal" . "Sovcaine" . "Byclomine®" . "Dibent" . "Di-Spaz" . "Videx EC®" . "Prefamone" . "Regenon®" . "stilboestrol" . "Motofen®" . "Rocaltrol®" . "Vontrol®" . "Satanolon" . "Lomotil®" . "diphenoxylate HCl" . "Taxotere®" . "Cincain ®" . "Entocort®" . "Ingrezza®" . "24-exo" . "PEPTIDE1{L.S.A.L}$$$$" . "Thr-Phe-Leu-Leu-Arg-amide" . "PEPTIDE1{T.F.L.L.R.[am]}$$$$" . "RA-839" . "Ibsrela®" . "KN-035" . "KN035" . "Docecad®" . "Tivicay®" . "Deptran®" . "Prudoxin®" . "Yasminelle" . "Beyaz" . "Ocella" . "Zarah" . "Angeliq" . "Ariclaim" . "Xeristar" . "Duzela" . "Dulane" . "Vimizim®" . "Revolade®" . "Enaladex®" . "Enacard" . "Forane®" . "Teveten®" . "Eprozar®" . "Methergine®" . "Cafergot®" . "Erythrocin®" . "Epogen®" . "Procrit®" . "Cipralex®" . "Exalief" . "Essocam" . "Esomezol" . "Aquest®" . "Continuin®" . "Femulen®" . "Luteonorm" . "Luto-Metrodiol" . "Metrodiol" . "Byetta®" . "Bydureon®" . "Gaster®" . "Pepcidine" . "Ampyra®" . "Pondimin®" . "Ponderax" . "Nalfon®" . "fenoprofen calcium" . "Sublimaze®" . "Fexidine" . "Telfast" . "Fastofen" . "Tilfur" . "Vifas" . "Telfexo" . "Allerfexo" . "fexofenadine HCl" . "Filcad®" . "Imumax ®" . "Grafeel" . "Neukine" . "Emgrast" . "Religrast" . "Zarzio" . "Nufil" . "Genurin" . "Uritac" . "Bladderon" . "Bladuril" . "AMYViD®" . "Fludara®" . "Locacorten" . "Syntaris" . "Fluonex®" . "Lonide" . "Lyderm" . "[123I]-IBVM" . "Ladose" . "Dalmadorm" . "Flutamin" . "Cytomid" . "Advair®" . "Flovent HFA®" . "Veramyst®" . "Advair Diskus®" . "Vastin" . "Floxyfral" . "Fevarin" . "Wellcovorin®" . "Foscavir®" . "Monopril®" . "frusemide" . "Lycoremine" . "Ipraxa®" . "Razadyne®" . "Nivalin®" . "Iressa®" . "Gemzar®" . "Glynase®" . "Sugral®" . "Elrodorm" . "Noxyron" . "Glimid" . "Alapryl®" . "Pacinone" . "HepFlush®" . "osmocaine" . "Apo-hydro®" . "Zohydro®" . "Hycodan" . "Robidone" . "Alcover®" . "Dolquine®" . "ADRONiL" . "Advil®" . "Motrin®" . "Vascepa®" . "Fanapt®" . "Ilomedine" . "Gleevec®" . "imidapril hydrochloride" . "Beselna" . "Hypen SR®" . "Natrilix" . "Insig" . "Aprovel®" . "Enerzer" . "Marplon" . "Monosorb®" . "Chemydur" . "Isonorm" . "Monotrate" . "Solotrate" . "Monit" . "Accutane®" . "Heartgard®" . "MK-933" . "ketamine HCl" . "Campto®" . "Zyclara®" . "Aptiom®" . "Karvea®" . "Kapidex®" . "Arabloc®" . "Lunava" . "Repso" . "Refludan®" . "Liquifilm®" . "levobupivacaine hydrochloride" . "Sinemet®" . "Parcopa" . "Atamet" . "Hipril" . "Tensopril" . "Dopergin®" . "Proclacam" . "Revanil" . "Juxtapid®" . "Fortasec®" . "Lopex" . "MCN-3802" . "Orfidal®" . "Adasuve®" . "Luzu®" . "Lulicon®" . "maprotiline hydrochloride" . "Sarcolysin®" . "Akatinol" . "Abixa" . "Memox" . "mephentermine sulfate" . "mephentermine sodium" . "Meprospan®" . "BP-897" . "BP897" . "Dimor" . "Petinutin®" . "metaradrine" . "Metaramin" . "Pressonex" . "LA-6023" . "methacholine bromide" . "methadone HCl" . "methamphetamine hydrochloride" . "methenamide" . "Thiamazole®" . "Neo-Cobefrin®" . "Nedeltran®" . "Panectyl" . "Repeltin" . "Therafene" . "Theralen" . "UML-491" . "Sansert®" . "metoclopramide hydrochloride" . "SR-720-22" . "H-93/26" . "Metopirone®" . "atracurium besilate" . "2-tetradecylglycidic acid" . "Ixel®" . "milrinone lactate" . "Betanis" . "Betmiga®" . "Myrbetriq®" . "Avanza" . "Axit" . "Mirtazon" . "Zispin" . "Misodel" . "Misodel®" . "Provigil®" . "Alertec" . "Modavigil" . "Univasc®" . "Singulair®" . "Pluralair" . "Montecarloflo" . "Lovetas" . "morphine sulfate" . "Myfortic® (mycophenolate sodium)" . "Relifex" . "Gambaran" . "SQ-11725" . "sodium hydrogen carbonate" . "Selincro®" . "Talwin Nx" . "Suboxone" . "Naphcon®" . "Nebilet" . "Rulivan" . "Dutonin" . "Arranon®" . "Atriance®" . "RvD1-methyl ester" . "neomycin sulfate" . "Glytrin®" . "methylscopolamine bromide" . "INOmax®" . "Merital®" . "Levarterenol®" . "Micronor®" . "nortriptyline hydrochloride" . "SDF-1α" . "transtorine" . "riboflavin 5'-phosphate" . "riboflavin 5'-monophosphate" . "Zypadhera" . "Lanzek" . "Olazax" . "Sevikar" . "ondansetron hydrochloride" . "ondansetron hydrochloride dihydrate" . "Xenical®" . "Beacita" . "Osphena®" . "Anavar®" . "Alepam" . "Medopam" . "Murelax" . "Noripam" . "Opamox" . "Purata" . "Serepax" . "Seresta" . "Navstel®" . "Novesine" . "Novesin" . "moricizine" . "Tracrium®" . "atracurium dibesylate" . "BW 33A" . "BZ" . "Buzz" . "EA-2277" . "Substance 78" . "Ro-51" . "Ro 51" . "compound 128 [PMID: 26686393]" . "10-tosyl-10H-phenoxazine" . "Minims Oxybuprocaine®" . "oxybutynin chloride" . "Cystrin®" . "Kentera" . "oxyphenonium bromide" . "quercinitol" . "cocositol" . "AZD 103" . "DCI" . "stearoylethanolamide" . "Tylenol®" . "Quinate®" . "Quinbisul" . "paroxetine hydrochloride (anhydrous or hemihydrate)" . "Signifor®" . "pasireotide diaspartate" . "Gemesis®" . "pegaptanib sodium" . "PegIntron®" . "ViraferonPeg" . "Somavert®" . "Alegysal®" . "Cuprimine®" . "Peptavlon®" . "pentobarbital sodium" . "Coversyl®" . "Preterax®" . "Aceon®" . "Coversum" . "Lullan® (Japan)" . "retinaldehyde" . "11-cis-retinaldehyde" . "Imnovid®" . "Hemangiol®" . "13-cis-retinaldehyde" . "9-cis-retinaldehyde" . "Dindevan®" . "neovitamin A" . "dAdoMet" . "decarboxylated SAM" . "decarboxylated AdoMet" . "phenobarbital sodium" . "Luminal®" . "GDC-0973" . "XL-518" . "cobimetinib butyrate" . "cobimetinib fumarate" . "phenytoin sodium" . "physostigmine salicylate" . "eserine" . "pilocarpine hydrochloride" . "pilocarpine nitrate" . "Pindac®" . "pinacidil hydrate" . "U-72107A" . "pioglitazone HCl" . "Vercite" . "Pirespa" . "Etuary" . "Brexidol" . "Candyl" . "Daquiran" . "Oprymea" . "Pramipexole Accord" . "Pramipexole Teva" . "Sifrol®" . "pravastatin sodium" . "Centrac" . "Demetrin" . "Pozapam" . "Prasepine" . "Hypovase®" . "Orapred®" . "Lodotra®" . "Nervalin®" . "Prilotekal®" . "L-748328" . "Mysoline®" . "Lepsiral" . "L-748,328" . "Neurosyn" . "procaterol hydrochloride" . "Buccastem®" . "procyclidine hydrochloride" . "Arpicolin®" . "Prometrium®" . "Sominex®" . "Arythmol®" . "proxymetacaine hydrochloride" . "propranolol hydrochloride" . "Thyreostat®" . "Propacil" . "Prothyran" . "Sinutab®" . "pseudophedrine sulphate" . "Zinamide®" . "pyrilamine tannate" . "Pyrlex®" . "mepyramine maleate" . "Anthisan®" . "GNF-Pf-5586" . "TCMDC-125860" . "Xeroquel" . "Ketipinor" . "quinidine hydrochloride" . "Qualaquin®" . "quinine sulfate" . "quinine bisulphate" . "GNF-Pf-506" . "methyl-carbamyl platelet-activating factor" . "[3H]CI977" . "[3H]CI-977" . "Pariet®" . "LY-156758" . "Raloxifene Teva" . "raloxifene hydrochloride" . "Gavilast®" . "GR-100679" . "Edronax®" . "Lexiscan®" . "Rapiscan®" . "Enyglid" . "Trobalt®" . "Potiga®" . "AWD-21360" . "WAY-143841" . "Zydelig®" . "Ryanodex®" . "rhC1INH" . "Ruconest®" . "ZK 112993" . "ZK 112,993" . "RU-26988" . "Adempas®" . "risedronate sodium" . "Atelvia®" . "NE-58095" . "R-64-766" . "ED-71" . "1α,25-dihydroxy-2β-(3-hydroxypropoxy)vitamin D3" . "Nimvastid" . "Prometax" . "Ceeoxx" . "LG-190178" . "ZK 159222" . "Libertek" . "Daxas®" . "Adartrel" . "ropivacaine hydrochloride" . "OCT" . "Leganto®" . "Inovelon®" . "Ro-26-9228" . "BXL 628" . "BXL628" . "ORG-2058" . "PA 451" . "UVI 3003" . "Bazuka Extra Strength Gel®" . "LG 100754" . "sapropterin dihydrochloride" . "saquinavir mesilate" . "Scopoderm®" . "levo-duboisine" . "Sevorane" . "sibutramine hydrochloride" . "Silodal" . "Urief" . "Olysio®" . "simeprevir sodium" . "MK-733" . "Janumet" . "Ristaben" . "Tesavel" . "Elaspol®" . "L-689560" . "L-689,560" . "Sovaldi®" . "Lasilactone" . "Quelicin®" . "Sucramal" . "Sucralcoat" . "Antepsin®" . "sufentanil citrate" . "Apo-sulfinpyrazone®" . "Anturane®" . "Azulfidine®" . "Sulpor®" . "L 838,417" . "TPA-023" . "[3H] SR 49059" . "ZD 7288" . "L-701,324" . "L-701324" . "CGP-37849" . "MRK-016" . "MRK 016" . "AICA-riboside" . "phenylisopropyladenosine" . "U-18573" . "ibuprofen sodium" . "ibuprofen lysine" . "GR-43175C" . "MEN-10627" . "levothyroxine sodium" . "retinobenzoic acid" . "Amnolake®" . "Soltamox®" . "ICI-46474" . "Zorac®" . "Zelnorm®" . "2''-O-acetyl-ADP-D-ribose" . "OAADPr" . "Pritor®" . "Tolura" . "oleoyl-coenzyme A" . "Normison" . "Temcad" . "Temomedac" . "Forsteo®" . "NS-9283" . "Xelevia" . "22-oxacalcitriol" . "rizatriptan benzoate" . "compound 29 [PMID: 25101488]" . "compound 63 [PMID: 21207957]" . "compound 21 [PMID: 23075067]" . "BX430" . "Optruma®" . "Kinzalmono®" . "compound 9f [PMID: 31070916]" . "compound 7 [PMID: 31411465]" . "example 8 (cis racemate) [WO2017060855A1]" . "compound 7b [PMID: 31414801]" . "SS208" . "SEQ ID 836 [WO2012156219A1]" . "compound 22b [PMID: 31436984]" . "CWHM-12" . "CWHM 12" . "IRC-022493" . "(-)-Acetylcarnitine" . "MK-6482" . "EFV" . "DMP-266" . "DMP266" . "Stocrin®" . "L-743726" . "L-743,726" . "NYX2925" . "Egrifta®" . "Delatestryl®" . "isospaglumic acid" . "testosterone 17-phenylpropionate" . "testosterone hydrocinnamate" . "testosterone 4-methylvalerate" . "Revocon®" . "Tetmodis" . "Ro-19569" . "Immunoprin" . "Talidex" . "Talizer" . "Contergan" . "ABT-569" . "tiagabine hydrochloride" . "ABBOTT-70569" . "NOE" . "OEA" . "Cyclo-F®" . "Femstrual®" . "Lysteda®" . "Sodium Pentothal®" . "thiopental sodium" . "Mellaril®" . "tianeptine sodium" . "Brilinta®" . "Brilique®" . "tinzaparin sodium" . "Tiova®" . "gamma-linolenic acid" . "L-700462" . "MK-383" . "tirofiban hydrochloride (monohydrate)" . "tolbutamide sodium" . "Detrusitol®" . "Neditol" . "Preblacon" . "Santizor" . "Inconex" . "Potactasol" . "toremifene citrate" . "Diuver" . "Examide" . "trametinib dimethyl sulfoxide" . "guanosine diphosphate fucose" . "GDP-L-fucose" . "Tarka" . "Gopten" . "tranylcypromine sulphate" . "Oleptro®" . "Trialodine" . "12(S)-Leukotriene B4" . "Molipaxin®" . "17α-ethynylestradiol" . "Apo-Triazo" . "Hypam" . "Trilam" . "SK-8542" . "trifluoperazine hydrochloride" . "triflupromazine hydrochloride" . "Parkin" . "Pacitane" . "Apo-Trihex" . "Pyribenzamine®" . "Avita® (0.025% gel)" . "Rezulin®" . "Resulin" . "Romozin" . "Noscal" . "BIMU8" . "BIMU-8" . "Flotros®" . "Thyrogen®" . "Incruse Ellipta®" . "256U87 HCl" . "valacyclovir hydrochloride (monohydrate)" . "SC-69124" . "valproate sodium" . "Epilim®" . "21-deoxycortisone" . "Angiotan" . "Exforge" . "DPPC" . "dihydro-D-erythrosphingosine" . "vapreotide acetate" . "WY-45030" . "Ansyr®" . "Sabril®" . "MDL-71754" . "Zomelis" . "Jalra" . "SLV 306" . "SLV306" . "Velbe®" . "Renova® (0.02% cream)" . "Marevan®" . "SPI-1620" . "amyloid β-peptide" . "Actibine®" . "Accoleit" . "Vanticon" . "ICI-204219" . "Starnoc" . "Andante" . "Zipwell" . "2-hydroxy lauric acid" . "3-hydroxy lauric acid" . "Zoleptil®" . "Clopixol®" . "T 226296" . "TH-322" . "PF06651600" . "GLPG-1690" . "1D-myo-inositol 3,4,5,6-tetrakisphosphate" . "PD 156707" . "retinaldehyde" . "diadenosine tetraphosphate" . "GR-159897" . "trihydroxycoprostane" . "L-750667" . "U-69,593" . "GNF-Pf-5565" . "GR-32191" . "phosphoadenosine phosphosulfate (PAPS)" . "Vivanza®" . "Prasterone" . "liothyronine sodium" . "CP-105696" . "Ro-630563" . "Ro-63-0563" . "BAY-367620" . "GDP-bS" . "Gengraf (Abbott labs)" . "SB-269970" . "Ro-677476" . "Ro 677476" . "GR-89696" . "MRS 1065" . "GR-113808" . "Mdl 11939" . "MDL-11939" . "L-817818" . "EPH-related receptor transmembrane ligand ELK-L3" . "SR-140333" . "GW-1100" . "SR-49059" . "RBI-257" . "tetrahydroaminoacridine" . "WIN-62577" . "NSC-407229" . "GW-627368" . "LY-156735" . "VU0483253-3" . "RG-2077" . "Ro-675930" . "RS-93520" . "STK215777" . "W-146" . "TA-064" . "MRS 2578" . "AC 7954" . "GNF-Pf-2224" . "NAD-299" . "TG-003" . "NSC-50393" . "heptane-1,7-bis(dimethyl-3'-phthalimidopropylammonium)" . "DUO3" . "W84" . "[3H]LY354740" . "[3H]MK-801" . "[3H]R1881" . "PD-168368" . "MDL-201229" . "ML-1229" . "GSK-2656157" . "compound 6 [PMID: 24900593]" . "DSP-3235" . "example 71 [US20090306039]" . "LY2606368" . "ATM kinase inhibitor" . "HCT-3012" . "HCT3012" . "HCT 3012" . "AZD-3582" . "AZD 3582" . "AZD3582" . "NO-naproxen" . "δ-theraphotoxin-Hm1a" . "compound 5 [PMID: 28151659]" . "UCPH101" . "Rydapt®" . "Alunbrig®" . "Tymlos®" . "Imfinzi®" . "SLx-2119" . "SLx 2119" . "SLx2119" . "KD-025" . "compound 11 [PMID: 28139931]" . "example 5 [WO2015083028]" . "compound 11 [PMID: 28414242]" . "PFK-015" . "IPI-549" . "compound 26 [PMID: 27660692]" . "3 α-aminocholestane" . "EOS200271" . "PF06840003" . "ZINC-72453573" . "ZINC72453573" . "SB-213698" . "SB-205,607" . "(-)-TAN-67" . "Nα-[Nα-[Nα-(tert-butyloxycabonyl)-L-glutaminyl]-N1-formyl-D-tryptophyl-L-phenylalanine benzyl ester" . "Boc-Gln-D-Trp(CH0)-Phe-OBzl" . "ASP-4058" . "compound 5 [PMID: 27994760]" . "eCF 309" . "eCF-309" . "compound 12 [Fraser et al., 2016]" . "Tz‐BBA" . "monokine induced by gamma-interferon" . "MIG" . "MEDI545" . "AZ909" . "SR-8185" . "MPI-485520" . "MPC-9528" . "example 86 [WO2014093383]" . "Kevzara®" . "KTx 6.3" . "5-(4-phenylbutoxy)psoralen" . "psora 4" . "ML-324" . "MDV9300" . "MGA271" . "MGA-271" . "ONX 0801" . "BGC 945" . "BGC-945" . "N-[4-[2-Propyn-1-yl[(6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-3H-cyclopenta[g]quinazolin-6-yl]amino]benzoyl]-l-γ-glutamyl-d-glutamic acid 1" . "RTA 408" . "BMS-986227" . "B7 homolog 2" . "B7-H2" . "B7-related protein 1" . "B7RP-1" . "B7RP1" . "ICOS-L" . "Ecalectin" . "Tumor antigen HOM-HD-21" . "Gal-9" . "Compound (I) [WO2016200919]" . "ACY-241" . "MEDI 9447" . "MEDI-9447" . "A-1230717" . "ABT-122" . "LeukArrest" . "VEGFA(138-165)" . "example 19 [WO2007141343A1]" . "AP-1189" . "AT527" . "compound 2 [PMID: 3351860]" . "(E)-4-(1-naphthylvinyl)pyridine methochloride" . "ALX 5407" . "ALX5407" . "(+)-NFPS" . "ASP 2535" . "ASP-2535" . "GT0198" . "VVZ-149" . "VVZ149" . "alpha-Cyanocinnamic acid" . "(2E)-2-cyano-3-phenylacrylic acid" . "2-cyano-4-hydroxycinnamate" . "alpha-cyano-4-hydroxycinnamate" . "alpha-cyano-4-hydroxycinnamic acid" . "alpha-cyanocinnamate" . "Alpha-Cyano-5-phenyl-2,4-pentadienic acid" . "ααcyano-5-phenyl-2,4-pentadienoate" . "2-CPIYA" . "UK5099" . "α-cyano-β-(1-phenylindol-3-yl)-acrylate" . "2-Cyano-3-(1-phenylindol-3-yl)acrylate" . "2-Cyano-3-(1-phenyl-1H-indol-3-yl)-acrylic acid" . "(E)-2-cyano-3-(1-phenyl-1H-indol-3-yl)acrylic acid" . "MSDC-0160" . "MSDC0160" . "EIDD-2801" . "EIDD2801" . "MK-4482" . "MK4482" . "subasumstat (proposed INN)" . "TAK981" . "Example 133 [WO2016004136A1]" . "I-263a [WO2016004136A1]" . "enpatoran (proposed INN)" . "trans‐4‐butylcyclohexane carboxylic acid" . "5'-dTTP" . "compound 39 [PMID: 32292557]" . "[(-)-N-(2S,10S,14bS)]-N-(8-cyano-1,2,3,4,10,14b-hexahydro-10-methyl dibenzo[c,f]pyrido[1,2-a]azepin-2-yl)-4-methyl-1,2,3-thiadiazole-5-carboxamide]]" . "ORG214007-0" . "GSK-2018682" . "MT-1303-P" . "CYM-5520" . "SAR-100842" . "Edg-2 receptor inhibitor 1" . "RP-1" . "Sesquient®" . "APN01" . "rhsACE2" . "GSK2586881" . "GSK-2586881" . "(-)-borrelidin" . "LY3819253" . "LY-3819253" . "LY-CoV555" . "IC14" . "REGN-10933" . "REGN-10987" . "REGN10987" . "AZD1061" . "COV2-2130" . "AZD8895" . "COV2-2196" . "LY3832479" . "CB-6" . "JS-016" . "LY-CoV016" . "CT-P-59" . "CT-P59" . "VIR-7831" . "VIR7831" . "LY-3127804" . "LY3127804" . "compound 2 [PMID: 20151671]" . "EG-00229" . "AKB-9778" . "AKB9778" . "Compound AA34 [US10220048]" . "GZD824" . "HQP1351" . "HQP-1351" . "ONC-212" . "example 52 [WO2017132661A2]" . "BI3802" . "Zokinvy®" . "SBP7455" . "compound 26 [PMID: 33200929]" . "hu3F8" . "AT125" . "naxitamab-gqgk" . "DANYELZA®" . "compound 9k [PMID: 33237785]" . "EST-64454" . "example 39 [WO2011147910A1]" . "IPH-5401" . "NN-8210" . "NNC-0215-0384" . "anti-hC5aR-32F3A6 GL" . "IFX-1" . "CaCP-29" . "Gavreto®" . "Imcivree®" . "BCX7353" . "BCX-7353" . "Orladeyo®" . "GDC-0077" . "ARQ-531" . "example 11 [WO2014151871A9]" . "TP-0184" . "TP0184" . "example 1 [WO2018112379A1]" . "PD 0325901" . "example 1 [WO2016094821A2]" . "ICEC0942" . "ICEC-0942" . "PK10571" . "compound 18 [PMID: 24119557]" . "example 3 [WO2016196840A1]" . "PRN2246" . "PRN-2246" . "BTK'168" . "SAR442168" . "INCB053914" . "INCB-053914" . "Example 51 [WO2012135160A1]" . "ME-401" . "nabiximols (CBD + THC, fixed-dose oral spray)" . "Sativex® (CBD + THC, fixed-dose oral spray)" . "ME401" . "DEBIO1347" . "TG02" . "PJ-34" . "Ciclodan®" . "Loprox®" . "HOE-296" . "HOE-296b" . "Sulfabid®" . "umbellatine" . "TAK-385" . "Orgovyx®" . "Margenza®" . "margetuximab-cmkb" . "KX2-391" . "Klisyri®" . "Gemtesa®" . "Ayvakyt®" . "Exparel®" . "Phelinun®" . "Arikayce liposomal®" . "Miltex®" . "Impavido®" . "D-18506" . "D18506" . "n-hexadecylphosphorylcholine" . "MDL 12330A" . "MDL-12330A" . "RMI 12330A" . "RMI12330A" . "BBI608" . "BBI-608" . "RG-4733" . "RG4733" . "LY3039478" . "LY-3039478" . "MK0752" . "OMP-52M51" . "OMP52M51" . "gamma-Secretase Inhibitor IX" . "GSI-IX" . "LY-374973" . "DX9065A" . "JTV803" . "BAY1213790" . "BAY-1213790" . "BAY 1213790" . "(S)-N-(2-amino-3-(4-(2-(fluoro-18F)ethoxy)phenyl)propanoyl)-N-methylglycine" . "U 42,126" . "(3,5)-difluoro Phe-ψ-Ala" . "ONO-2235" . "ONO2235" . "Kinedak®" . "Fagarol" . "D-(+)-Sesamin" . "HET-0016" . "8-[(1H-1,2,3-Benzotriazol-1-yl)amino]octanoic Acid" . "BHV-4157" . "BHV4157" . "BHV-4157a" . "BHV4157a" . "FC-4157" . "trigriluzole" . "M7824" . "MSB0011359C" . "ARQ531" . "Citrusinine-II" . "compound 5 [PMID: 21277783]" . "U-63557A" . "U63557A" . "MK-24(S)-S(O)(NH)Ph" . "compound 3a [PMID: 15615534]" . "NIL6PST6V7" . "Rambazole®" . "R115866" . "R-115866" . "CTA018" . "CTA018/MT2832" . "CTA-018" . "A-793394" . "NS-6740" . "A793394" . "DMBX-A" . "4-OH-MBA" . "4-OH-GTS-21" . "Verquvo®" . "GSK1265744" . "GSK-1265744" . "GSK744" . "CAB" . "Cabenuva® (cabotegravir + rilpivirine)" . "TMC-278" . "TMC278" . "Edurant®" . "Vocabria®" . "1,11-anhydro[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl- N-methyl-L-valyl-[(2S,3R,4R,6E)-3-hydroxy-4-methyl- 2-(methylamino)nona-6,8-dienoyl][(2S)-2-aminobutanoyl]- N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucine]" . "ISA-247" . "ISATX247" . "ISA247" . "Lupkynis®" . "E-ISA247" . "ISA(TX)247" . "R 1524" . "R1524" . "R-1524" . "Urece®" . "FYU-981" . "FYU981" . "SC 58125" . "SC58125" . "TFC 007" . "TFC-007" . "PD146176" . "PD 146176" . "BWB70C" . "BWB-70C" . "BW-B70C" . "compound 24 [PMID: 2016727]" . "CD24Fc" . "CD24-Fc" . "Dehydrodidemnin B" . "Aplidin®" . "aplidine" . "compound 18 [PMID: 25091930]" . "compound 7 [PMID: 25091930]" . "AG17724" . "compound 1 [PMID: 32483379]" . "N-(chloroacetyl)-N-methyl-L-phenylalanyl-L-homoprolyl-L-tryptophyl-L-citrulline ethyl ester" . "Posimir®" . "AT-125" . "U-42,126" . "U-42126" . "Tepmetko®" . "compound 2 [PMID: 32669442]" . "LP-533401" . "Ukoniq®" . "example 63 [WO2018045956A1]" . "CTP-543" . "CTP543" . "D8-ruxolitinib" . "Example 104 [WO2015051341A1]" . "compound 24 [PMID: 33335659]" . "IPI549" . "9-ING-41" . "compound 26 [PMID: 19338355]" . "MK-1026" . "MK1026" . "ArQule 531" . "E-7090" . "E7090" . "Example 22 [WO2014129477A1]" . "Example 3 [WO2018060714A1]" . "LNS8801" . "LNS-8801" . "RG7713" . "RG-7713" . "RG7716" . "RG-7716" . "RO6867461" . "RO-6867461" . "evinacumab-dgnb" . "Evkeeza®" . "Cosela®" . "PTC-299" . "PTC299" . "(R)-2" . "Cereblon modulator 1" . "compound 16 [PMID: 33591756]" . "Compound 1 [WO2019006299A1]" . "Sporanox®" . "R-51211" . "R51211" . "ITZ" . "Tamiflu®" . "Tamvir®" . "GS-4104" . "GS4104" . "RO-640796" . "RO640796" . "Noxafil®" . "SCH56592" . "SCH-56592" . "Schering 56592" . "LY3298176" . "LY-3298176" . "Viltepso®" . "NS-065" . "NCNP-01" . "PF-06372865" . "LXS196" . "BMS-986165" . "BAY1895344" . "AKST4290" . "LXH254" . "CPI-0610" . "AMG510" . "VIT-2763" . "DCC-3014" . "SCO-088" . "example 26 [WO2015037939A1]" . "DS-6051b" . "IMP4297" . "example 184 [WO2015066188A1]" . "CHIR-99021" . "example 18 [WO2013166396A2]" . "CCX140B" . "example 1 [WO2020051105A1]" . "SHR6390" . "UX-007" . "UX007" . "Dojolvi®" . "ATL-962" . "ATL962" . "Oblean®" . "[125I]-3-4-hydroxyphenyl-propionyl-d-Arg0-[Hyp3,Thi5,d-Tic7,Oic8]bradykinin" . "JNJ-46778212" . "JNJ46778212" . "RCI0879" . "compound 11i [PMID: 33602867]" . "compound 18i [PMID: 33602867]" . "compound 18p [PMID:33602867]" . "MOXR0916" . "RO7021608" . "pogalizumab (deleted INN)" . "GEN3013" . "GEN-3013" . "Amondys 45®" . "SRP-4045" . "SRP4045" . "GS441524" . "EVO-984" . "EVO984" . "GS-6207" . "GS6207" . "Nag 30" . "Example 5 [US10287305]" . "KP-484" . "Azstarys® (serdexmethylphenidate + dexmethylphenidate)" . "BTRX-246040" . "PSB16133" . "compound 61 [PMID: 28306255]" . "TIM38" . "compound 4 [PMID: 32551012]" . "MRS-4625" . "FE202158" . "TCMDC-123889" . "GSK4182136" . "GSK-4182136" . "CC401" . "analog 2 [PMID: 32133341]" . "(S)-JK0621-D008" . "GNF-Pf-3616" . "MMV674253" . "ZY19489" . "ZY-19489" . "N(G)-monomethyl L-arginine" . "L-Monomethylarginine" . "L-NMA" . "targinine (deprecated INN)" . "KK13" . "HPI-201" . "HPI201" . "compound 27 [PMID: 28435533]" . "MP0420" . "MP-0420" . "π-AnmTX Ugr 9a-1" . "kappaM-RIIIK" . "κM-RIIIK" . "compound 10g [PMID: 30655942]" . "JNJ 303" . "JNJ-303" . "compound 1a [PMID: 24451586]" . "Kimyrsa®" . "Synthetic Ligand for FKBP" . "compound 1a monomer [PMID: 12951089]" . "AP1510 monomer" . "ligand 2 [PMID: 22455398]" . "compound 1 [PMID: 25436518]" . "compound 2 [PMID: 25436518]" . "GPI1046" . "N-(N′,N′-Dimethylcarboxamidomethyl)cycloheximide" . "IMP-366" . "SB-683699" . "SB683699" . "RO-0272441" . "R-411" . "CDP323" . "CDP-323" . "BTT 3033" . "BTT3033" . "peptide 6b [PMID: 24999562]" . "analogue 8 [PMID: 32721452]" . "BMS986166" . "compound 14a [PMID: 30785748]" . "compound 12 [PMID: 33492963]" . "compound 24 [PMID: 33492963]" . "Sphingosine-1-Phosphate (d20:1)" . "IDE196" . "D-erythro-sphingosine-1-phosphate (C20 base)" . "S1P (d20:1)" . "LSM-1888" . "LSM1888" . "PD-102807" . "PD102807" . "PCS-1055" . "Duvroq®" . "Ponvory®" . "Velexbru®" . "Hansoh Xinfu®" . "Airuini®" . "EK1C4" . "MMV687273" . "MMV1580488" . "ML 324" . "ICI-58,834" . "ICI-58834" . "Emovit®" . "Qelbree®" . "ABT-378" . "ABT378" . "Kaletra® (LPV+RTV)" . "Aluviran®" . "A-157378-0" . "A-1573780" . "GDC0134" . "compound 112 [WO2018152396A1]" . "BMS986299" . "M-4205" . "BOS172738" . "BOS-172738" . "DS-5010" . "DS5010" . "ARV-471" . "compound 341 [WO2018102725A1]" . "ARV-110" . "compound 406 [WO2018071606A1]" . "BMS742413" . "BHV-3500" . "BMS-742413" . "compound 6i [PMID: 33861086]" . "CVN-424" . "K11777" . "S-001" . "SLV213" . "K-777" . "TAK-935" . "OV935" . "Eohilia® (budesonide oral suspension)" . "Jemperli®" . "TSR-042" . "WBP-285" . "dostarlimab-gxly" . "ANB-011" . "compound 18p [PMID: 33872498]" . "SAR97276A" . "loncastuximab tesirine-lpyl" . "Zynlonta®" . "RB4v1.2-SG-3249" . "ADCT-402" . "ADCT402" . "20-HETE receptor antagonist (AAA)" . "Example 90 [WO2020190754]" . "FTX6058" . "CK-3773274" . "CK3773274" . "CK-274" . "compound 279 [WO2014177060A1]" . "example 13 [WO2020157652]" . "PF07104091" . "AZD-5305" . "example 4 [WO2021013735]" . "BBAC" . "[3H]-BBAC" . "compound 18 [PMID: 18207395]" . "[3H]-compound 18" . "STM-2457" . "GNbAC1" . "Kloxxado® (naloxone hydrochloride nasal spray)" . "example 158 [WO2018119036]" . "JNJ67856633" . "AMG-181" . "MEDI-7183" . "MEDI7183" . "AMG 181" . "AMG181" . "SCO267" . "compound 4 [Mahoney et al, 2021]" . "MM-3122" . "Ac-GQFR-kbt" . "pregnanolone" . "Pregnan-3alpha-ol-20-one" . "3α-hydroxy-5β-pregnan-20-one" . "3α,5β-tetrahydroprogesterone" . "3α,5β-THP" . "3 alpha-hydroxy-5 beta-pregnan-20-one sulfate" . "3α-hydroxy-5β-pregnan-20-one sulfate" . "CAY 10471" . "NTP-42" . "Gln-Arg-Phe-Ser-Arg" . "L-Glutaminyl-L-arginyl-L-phenylalanyl-L-seryl-L-arginine" . "QRFSR peptide" . "SBC-115337" . "compound 10 [Garnar-Wortzel et al., 2021" . "SR0813" . "compound 4 [Garnar-Wortzel et al., 2021]" . "compound 3a [PMID: 30344903]" . "LYS 01" . "LYS-01" . "Vyrologix®" . "GDC-5573" . "HM95573" . "RG6185" . "Example 116 [WO2013100632A1]" . "Rybrevant®" . "amivantamab-vmjw" . "fibroblast growth factor 19" . "NGM282" . "NGM-282" . "M70" . "QBW251" . "QBW-251" . "compound 33 [PMID: 34028270]" . "Truseltiq®" . "Lumakras®" . "TAK-438" . "TAK438" . "Lybalvi® (olanzapine + samidorphan)" . "fezagepras" . "ibiglustat" . "Genz-682452" . "SAR402671" . "GZ/SAR402671" . "Vocinti®" . "TAKECAB®" . "compound 13e [PMID: 22512618]" . "Pittsburgh inhalable Nanobody 21" . "ZILTI" . "MEDI5117" . "MEDI-5117" . "COR-001" . "COR001" . "compound 79" . "diABZI" . "diABZI STING agonist-1" . "compound 3 [PMID: 30405246]" . "diABZI-4" . "Example 39 [WO2017175147A1]" . "LNP023" . "aducanumab-avwa" . "Aduhelm®" . "Tembexa®" . "CMX001" . "CMX-001" . "HDP-CDV" . "hexadecyloxypropyl cidofovir" . "compound 22 [PMID: 34081466]" . "LY-3202626" . "sanguinarin" . "pseudochelerythrine" . "Sanguinarine" . "compound 2 [PMID: 28621943]" . "compound 4 [PMID: 28621943]" . "compound 31 [PMID: 33197196]" . "LUT-014" . "IDE-196" . "LTT-462" . "LTT462" . "compound 6 [PMID: 25590655]" . "Colazide®" . "Colazal®" . "Giazo®" . "Vanihep®" . "MK-7009" . "MK7009" . "analog 35b [PMID: 20163176]" . "Isentress®" . "MK-0518" . "MK0518" . "Arlansa®" . "SCH 900518" . "SCH-900518" . "SCH900518" . "MK-5172" . "MK5172" . "CGP37157" . "Zepatier® [elbasvir (NS5A inhibitor) + grazoprevir]" . "analog 15 [PMID: 24900473]" . "GS-9137" . "GS9137" . "JTK-303" . "JTK303" . "Vitekta®" . "EVG" . "compound 2 [PMID: 18281931]" . "GS-9883" . "GS9883" . "Civanex®" . "Zuacta®" . "DA-8159" . "DA8159" . "Zydena®" . "Dipentum®" . "CJ-91B" . "CJ91B" . "Ilaxten®" . "Bilaxten®" . "AZ-5104" . "GSK3052230" . "GSK-3052230" . "HGS1036" . "FP1039" . "FGFR1:Fc" . "SK-0403" . "Suiny®" . "SK0403" . "CWP-403" . "compound 4a [PMID: 22019046]" . "INCMGA0012" . "MGA012" . "hPD-1 mAb 7(1.2)" . "BCX-4161" . "BCX4161" . "PCI27483" . "Example 1 [WO2005118554A2]" . "Soaanz®" . "Anavex 2-73" . "Anavex2-73" . "THD-DP-FM" . "AE-37" . "AE37" . "POL6326" . "POL-6326" . "RO7496998" . "RO-7496998" . "example 12a [WO2014018881A1]" . "BIO32546" . "15 alpha-hydroxyestriol" . "15 α-hydroxyestriol" . "Lydisilka® (EMA); ; estetrol monohydrate + drospirenone" . "E4" . "Nextstellis® (US); estetrol monohydrate + drospirenone" . "Drovelis® (EMA); ; estetrol monohydrate + drospirenone" . "15RalphaSu-Fc" . "IL15 D72" . "N-803" . "IL-15 N72D:IL-15RαSu/Fc" . "IL-15SA" . "compound 2d [PMID: 34141082]" . "BMS753426" . "compound 7 [PMID: 30891130]" . "BMS741672" . "compound 1a [PMID: 34141082]" . "CDP 6038" . "CDP6038" . "CDP-6038" . "DX-600" . "Kerendia®" . "Prodrug J 1" . "Melflufen" . "Prodrug J-1" . "Pepaxto®" . "CC-223" . "CC223" . "ICP-022" . "HMPL-813" . "HMPL813" . "compound 68 [WO2010002845A2]" . "CT-327" . "CT327" . "SNA-120" . "SNA120" . "Pegylated K-252" . "K-252a-PEG2K" . "CRV-431" . "CPI-431" . "CPI431" . "CPI-431-32" . "PF-06826647" . "PF06826647" . "Tyk2-IN-8" . "compound 22 [PMID: 32787094]" . "(±)-LY 395756" . "LY39" . "LY-395756" . "LY 395756" . "compound 9 [PMID: 33078933]" . "Rezurock®" . "CM082" . "CM-082" . "X-82" . "Example 8 [WO2008033562A2]" . "EYP-1901" . "PHA-291639" . "PHA291639" . "SU 11654" . "SU11654" . "SU-11654" . "Palladiar®" . "compound 12f [PMID: 12646019]" . "ON 01210" . "ON-01210" . "EX-RAD®" . "NMS-P937" . "CVM-1118" . "TRX-818" . "TRX 818" . "RPT-835" . "RPT835" . "SCC224" . "SCC-224" . "Example 1 [US9133162]" . "CT053PTSA" . "CT053" . "CT-053" . "PF 05180999" . "PF05180999" . "RP 73401" . "RP73401" . "RP-73-401" . "LOXO-305" . "LOXO305" . "BTK inhibitor 16" . "Famvir®" . "BRL-42810" . "BRL42810" . "FCV" . "compound 1 [PMID: 21988093]" . "PF-999" . "compound 30 [PMID: 29293004]" . "Bylvay®" . "taurursodiol" . "UR 906" . "ursodoxicoltaurine (INN)" . "ALP-POS-c59291d4-5" . "GRL0496" . "compound 7a [PMID: 23218713]" . "GC373" . "Cbz-Leu-Leu-norvalinal" . "N-benzyloxycarbonyl-L-leucyl-L-leucyl-L-norvalinal" . "Z-LL-Nva-CHO" . "compound 5b [PMID: 16686537]" . "PF-0835231" . "N-benzyloxycarbonyl-L-leucyl-L-norleucinal" . "benzylcarbonyl-Leu-nLeu-H" . "N-benzyloxycarbonyl-L-leucyl-3-(2-oxopyrrolidin-3-yl)-L-alaninal" . "Cbz-Thr(tBu)-Cha-Ala(((S)-2-oxopyrrolidin-3-yl))-ol" . "TG0205221" . "N-benzyloxycarbonyl-O3-tert-butyl-L-threonyl-3-cyclohexyl-L-alanyl-3-((S)-2-oxopyrrolidin-3-yl)-L-alaninol" . "N-benzyloxycarbonyl-L-leucyl-L-leucyl-L-leucinal" . "TJM2" . "TJ 003234" . "TJ003234" . "example 10 [WO2018033815]" . "PF06873600" . "LEI401" . "YH53" . "compound 5h [PMID: 33510133]" . "compound 5h [PMID: 23994330]" . "VX-803" . "VX803" . "M-4344" . "ACT-541468" . "ACT541468" . "nemorexant (former name)" . "belamaf" . "GSK-3359609" . "anifrolumab-fnia" . "Saphnelo®" . "PHP-201" . "PHP201" . "AMA 0076" . "AMA0076" . "AMA-0076" . "BAY1834845" . "BAY-1834845" . "TD-1473" . "TD1473" . "JNJ-8398" . "JNJ8398" . "GZ389988A" . "compound 2 [PMID: 30532965]" . "example 42 [WO2017136727A2]" . "RB 101" . "RB-101" . "RB-3007" . "RB 3007" . "RB 120" . "RB-120" . "acetorphan" . "Hidrasec®" . "(+/-)-acetorphan" . "deamino-norcysteinyl-L-phenylalanyl-L-phenylalanine" . "compound 16e [PMID: 24080461]" . "ML-300" . "compound 41 [PMID: 34347470]" . "CCF0058981" . "compound 57 [PMID: 34355886]" . "compound 3i [PMID: 28692295]" . "MLi-2" . "compound 1 [PMID: 28245354]" . "CFI402257" . "compound 24 [PMID: 27437075]" . "compound 1 [PMID: 21992004]" . "XMD12" . "17β-hydroxy-5α-androstan-3-one" . "AT-527" . "M4344" . "AZD4205" . "ICP-192" . "ICP192" . "LY3411067" . "LY-3411067" . "CG-806" . "CG806" . "CG-026806" . "CG026806" . "example 7 [US9758508B2]" . "BLZ945" . "Example 52 [WO2019149164A1]" . "LY-3214996" . "LY3214996" . "N2-acetyl-L-arginyl-L-leucyl-L-tyrosyl-L-glutamic acid" . "AVI-3207" . "AVI3207" . "AZD0364" . "AZD-0364" . "ATG-017" . "Example 9 [WO2013107283A1]" . "BDTX-189" . "BDTX189" . "example 8 [US11034672B1]" . "PLB1001" . "APL-101" . "bozitinib" . "example 85 [US20180009818A1]" . "Welireg®" . "PD-0184264" . "PD0184264" . "ATR-002" . "ATR002" . "KO-539" . "KO539" . "compound 151 [US10781218B2]" . "PF-06650833" . "CDD-450" . "CDD450" . "ATI-450" . "ATI450" . "rac-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]acetic acid" . "(S,R)-3-Phenyl-4,5-dihydro-5-isoxazole acetic acid" . "GIT27" . "GIT-27" . "VGX-1027" . "VGX1027" . "GIT-027" . "SCO792" . "SCO-792" . "PD-1/PD-L1-IN 7" . "compound 139 [WO2019160882A1]" . "flumatinib (pseudo INN)" . "TAK041" . "NBI-1065846" . "NBI1065846" . "compound 56 [PMID: 34260228]" . "VIP-152" . "BAY 1251152" . "BAY1251152" . "BAY-1251152" . "BAY 1143572" . "BAY1143572" . "BAY-1143572" . "BMS911172" . "compound 59 [PMID: 34270254]" . "compound 71 [PMID: 34260229]" . "GSK-852" . "ICI199441" . "ligand 1 [PMID: 8893842]" . "ICI 199,441" . "DAPTA" . "D-Ala-peptide T-amide" . "PF 514273" . "PF514273" . "compound 19d [PMID: 19351113]" . "SRI-22141" . "SRI 22141" . "HTL-6641" . "HTL'641" . "compound 27 [Christopher et al., 2015]" . "Ronapreve® (imdevimab + casirivimab)" . "Ronapreve® (imdevimab + casirivimab)" . "HU-308" . "ABX-464" . "ABX464" . "SPL-464" . "MMV1581032" . "PF-07304814" . "PF07304814" . "compound 28 [PMID: 30582813]" . "compound 4 [WO2016045591A1]" . "TCN 201" . "TCN201" . "TCN213" . "TCN 213" . "Korsuva®" . "CDD1976" . "L-Moses" . "SAR121" . "MMV533" . "SAR441121" . "4-methylpyrazole" . "Antizol®" . "lopixibat (deleted INN)" . "LUM001" . "LUM-001" . "LUM 001" . "compound 74 [PMID: 16134951]" . "BAY 2433334" . "BAY2433334" . "BAY2433334" . "example 235 [WO2017005725A1]" . "AZD-0284" . "compound 20 [PMID: 34464130]" . "compound 24 [PMID: 17432843]" . "AZD-7624" . "Example 259 [WO2009001132]" . "JDQ-443" . "JDQ 443" . "AZD-4604" . "Jak1-IN-7" . "example 35 [WO2018134213A1]" . "BI-1265162" . "example 2.04 [WO2017028927A1]" . "JDQ443" . "example 1 [WO2016193844A1]" . "Exkivity®" . "tisotumab vedotin-tftv" . "Tivdak®" . "TF-011-MMAE" . "HuMax-TF-ADC" . "S-DCK" . "fibroblast growth factor 21" . "DT-2216" . "MG277" . "compound 13 [PMID: 30525597]" . "MD222" . "ASTX-029" . "compound 15 [PMID: 34387469]" . "BMS986318" . "compound 1 [PMID: 34531950]" . "Qulipta®" . "MK8262" . "compound 87 ]PMID: 34375108]" . "TAK020" . "compound 3 [PMID: 34448571]" . "ZNc3" . "compound 16 [PMID: 34423975]" . "BAY8400" . "compound 25 [PMID: 34428039]" . "Livmarli®" . "NBI921352" . "XEN901" . "XEN-901" . "CS-622" . "CS622" . "RS5139" . "RS-5139" . "RNH 5139" . "RNH-5139" . "RNH5139" . "compound 24c [PMID: 3669006]" . "SK-3530" . "SK3530" . "Mvix®" . "CV-4093" . "CV4093" . "Artedil®" . "Franidipine®" . "Iperten®" . "GR-43659X" . "GR43659X" . "Motens®" . "Lacipil®" . "GX1048" . "GX 1048" . "GX-1048" . "Molap®" . "VX-710" . "VX710" . "Incel®" . "Alnert®" . "Celeport®" . "BP-N-methylbutylamine" . "MCI-2016" . "MCI2016" . "compound 1 [PMID: 10602697]" . "SU-5402" . "compound 1c" . "MPC-1304" . "MPC1304" . "Sapresta®" . "3'-keto-Bmt(1)-Val(2)-cyclosporin A" . "PSC-833" . "PSC833" . "SDZ-PSC-833" . "SDZ PSC 833" . "Amdray®" . "SDZ PSC833" . "AS0141" . "compound 24 [PMID: 34607435]" . "BPR1R-024" . "compound 12 [PMID: 34606263]" . "BTRX-335140" . "Voxzogo®" . "Bimzelx®" . "Evrenzo®" . "Ryeqo® (relugolix-estradiol-norethisterone acetate)" . "Jayempi®" . "Onureg®" . "Adtralza®" . "Efmody®" . "Ontozry®" . "Vazkepa®" . "icosapent ethyl" . "Nexpovio®" . "Tavneos®" . "Xofluza®" . "S033188" . "S-033188" . "JNJ-64619178" . "Example 80 [WO2017032840A1]" . "MMV000147" . "JNJ45031882" . "GSK-3685032" . "JNJ67569762" . "compound 12 [PMID: 34553934]" . "FRM024" . "compound 41 [PMID: 34550687]" . "ETX-0462" . "VMM" . "BMS-986177" . "BMS986177" . "JNJ-70033093" . "JNJ70033093" . "compound 17 [PMID: 34494428]" . "ARD2585" . "TT-00420" . "compound 43 [PMID: 34473519]" . "S-600918" . "compound 28 [PMID: 34587541]" . "BMS986158" . "compound 18 [PMID: 34543572]" . "CPI-006" . "CPI006" . "CPX006" . "SBP 3264" . "CPX-006" . "15H6v4.D221" . "RG-6147" . "RG6147" . "RO-7171009" . "RO7171009" . "FHTR2163" . "CDX-0159" . "DKN-01" . "LY-2812176" . "LY2812176" . "CSL-324" . "CSL324" . "MHG-8" . "ARGX-115" . "ARGX115" . "MHGARP-8" . "PR-1762844" . "39B6-AYE" . "ABBV-151" . "AB-16B5" . "AB16B5" . "AB-sCLU mAb" . "16B5" . "compound 72 [PMID: 34665619]" . "compound 74 [PMID: 34665619]" . "GRL-2420 (compound 3 PMID: 34528437)" . "UCB-6114" . "MP5D2_CL22A3" . "CSL 334" . "CSL-334" . "ASLAN004" . "ASLAN-004" . "PBP1510" . "PBP-1510" . "hPMAb22" . "IZCARGO®" . "JR-141" . "JR141" . "JR-171" . "JR171" . "CCG203920" . "RGS4 inhibitor 13" . "AEVI-002" . "CERC-002" . "MDGN-002" . "SAR-252067" . "AVTX-002" . "SAR252067" . "AGEN-1423" . "GS-1423" . "AGEN1423" . "Xevudy®" . "Scemblix®" . "compound 1 [PMID: 30137981]" . "compound 3 [PMID: 34675414]" . "compound 15 [PMID: 29852070]" . "AZD-3458" . "compound 15 [PMID: 30335946]" . "AZ-6102" . "compound 25 [PMID: 25815142]" . "AZD-2906" . "compound 4 [PMID: 29424542]" . "AZD-4320" . "Example 3 [US9248140B2]" . "AZD-4573" . "compound 24 [PMID: 33306391]" . "AZD-5991" . "EED PROTAC 1" . "AZ-14117230" . "compound 2 [PMID: 31786184]" . "compound 23 [PMID: 32803978]" . "WS898" . "compound 26 [PMID: 34723530]" . "XR9576" . "XR-9576" . "compound 2 [PMID: 10098671]" . "LY 335979" . "LY335979" . "LY-335979" . "Vuity® (pilocarpine HCI ophthalmic solution)" . "Lagevrio®" . "OPP-3" . "IBX" . "BIIB-091" . "compound 51 [PMID: 34734694]" . "MK 486" . "Eprontia® (liquid formulation)" . "BAY091" . "compound 60 [PMID: 34699202]" . "BAY297" . "compound 58 [PMID: 34699202]" . "AZD4635" . "compound 33 [PMID: 34709814]" . "BMS986278" . "PG PROTAC 4c" . "compound 4c [PMID: 34614283]" . "CP628006" . "CK-2127107" . "CK2127107" . "CK-107" . "Regkirona®" . "lidocaine N-oxide" . "GSK-329" . "compound 47 [PMID: 34699203]" . "CRID3" . "MCC-950" . "CP-456,773" . "CP-424174" . "SBP3264" . "compound 20 [PMID: 34807584]" . "EM574" . "EM-574" . "[D-Lys] GHRP-6" . "Cibinqo®" . "Youxitai®" . "AST2818" . "Ivesa®" . "Hengqu®" . "Leclaza®" . "Orpathys®" . "Sulanda®" . "SA57" . "ABD1970" . "URB-937" . "(-)-nantradol" . "CP 50,556-1" . "NT-23" . "compound 1 [PMID: 20158183]" . "aPGG" . "αPGG" . "1,2,3,4,6-penta-O-galloyl-a-D-glucopyranose" . "α-PGG" . "VU 0134992" . "VU-0134992" . "VU992" . "VU-992" . "compound 8 [PMID: 29889526]" . "compound 6 [PMID: 32678591]" . "PF-07321332" . "PF07321332" . "Paxlovid® (nirmatrelvir + ritonavir)" . "compound 6 [PMID: 33560845]" . "ITH-15004" . "efgartigimod alfa-fcab" . "Vyvgart®" . "tezepelumab-ekko" . "Tezspire®" . "Adbry®" . "tralokinumab-ldrm" . "IBI376" . "Fyarro® (sirolimus albumin-bound particles)" . "example E61 [WO2021250648A1]" . "Evusheld® (tixagevimab + cilgavimab)" . "Evusheld® (tixagevimab + cilgavimab)" . "RC18" . "Tai'ai®" . "JTZ-951" . "JTZ951" . "compound 14 [PMID: 29259755]" . "Enaroy®" . "COR-003" . "COR003" . "Recorlev®" . "(2S,4R)-ketoconazole" . "CM-4307" . "CM4307" . "Zepsun®" . "BAY-439006" . "Sorafenib-d3" . "Vafseo®" . "AKB-6548" . "AKB6548" . "BMS986224" . "GS621763" . "SY5609" . "SY-0005609" . "Quviviq®" . "DS-96432529" . "compound 9o [PMID: 34742889]" . "ML1SA1" . "EVP169" . "EVP-169" . "ML3SA1" . "ML3 SA1" . "EVP-77" . "EVP77" . "EVP22" . "EVP-22" . "ML2SA1" . "ML2 SA1" . "MRTX-1133" . "compound 1 [PMID: 34889605]" . "H2N-c[X-R-L-S-X]-K-G-P-(D-1Nal)" . "H2N-c[X-R-L-S-X]-K-G-P-(D-2Nal)" . "ML-233" . "NS 11021" . "NS-11021" . "BAY-2402234" . "BAY2402234" . "7,12-O,O'dibenzyl-N-methylcoclaurine" . "pratensein" . "MT8" . "3'-hydroxybiochanin A" . "Duartin" . "UM9" . "7,3'-Dihydroxy-2',4',8-trimethoxyisoflavan" . "(+)-Tetrandrine" . "D-Tetrandrine" . "(S,S)-Tetrandrine" . "Tetrandrin" . "17β-estradiol methyl ether" . "EDME" . "3-Methoxyoestradiol" . "1-[17beta-Hydroxy-1(10),2,4-estratriene-3-yl]ethanone" . "PRU12" . "PRU-1" . "KDU-691" . "KDU 691" . "PF-04885614" . "compound 13 [Bagal et al., 2016]" . "faricimab-svoa" . "Vabysmo®" . "IMCgp100" . "tebentafusp-tebn" . "Kimmtrak®" . "RPL554" . "example III-13 [US9266891B2]" . "RO5126766" . "RO-5126766" . "CH5126766" . "CH-5126766" . "RG-7304" . "compound 1 [PMID: 24900832]" . "VS-6766" . "PLX-9486" . "PLX9486" . "TPX-0022" . "compound 5 [WO2019023417A1]" . "CSF1R-IN-2" . "TPX002" . "VIP152" . "example 27 [WO2014117718A1]" . "ALK2-IN-1" . "BLU-782" . "BLU782" . "compound 25 [WO2015192760A1]" . "example 9 [US10053477B2]" . "SHR0302" . "SHR-0302" . "example 34 [WO2013091539A1]" . "MEN1611" . "MEN-1611" . "compound 7x [PMID: 24417566]" . "ON123300" . "ON-123300" . "ON 123300" . "KPT-9274" . "example I-147 [US20210094956A1]" . "compound 7 [US20210238168A1]" . "SNDX-5613" . "SNDX5613" . "example 158 [WO2018119036A1]" . "DS-1001B" . "LXY3" . "(cdGTyr(3-NO2)GBNc" . "compound 225 [WO2012167733A1]" . "example 24 [WO2016126085A2]" . "TT00420" . "Example 6 [US10889586B2]" . "TAK-580" . "AZD7451" . "example 34 [US20210155606A1]" . "TAS-6417" . "TAS6417" . "CLN-081" . "CLN081" . "Example 151 [WO2013068306A1]" . "sutimlimab-jome" . "Enjaymo®" . "compound 451 [WO2021252644A1]" . "S-217622" . "S217622" . "GS-443902" . "RDV-TP" . "GS-441524 triphosphate" . "LEO134310" . "LEO-134310" . "ATA-101" . "ATA101" . "OSM-S-369" . "compound 12 [PMID: 35051575]" . "DWP16001" . "DWP-16001" . "Pyrukynd®" . "BCX4430" . "BCX-4430" . "Immucillin-A" . "LY-CoV1404" . "LY3853113" . "LY-3853113" . "LY-CoV-1404" . "Vonjo®" . "L-161,638" . "L-161638" . "compound 13 [Glinka et al., 1994)" . "Accuretic®" . "NVP-INE963" . "MMV1582617" . "compound 31 [PMID: 35179904]" . "BMS820132" . "GCC5694A" . "GCC-5694A" . "compound 14g [PMID: 34813882]" . "ASP-5878" . "compound 27 [PMID: 35219181]" . "Vasomotal®" . "SERC®" . "OBE101" . "LY-3154885" . "compound 5 [PMID: 35175768]" . "compound 5 [ PMID: 35133824]" . "AZ-13824374" . "MAP-855" . "compound 30 [PMID: 35195996]" . "Ztalmy®" . "CCD-1042" . "CCD1042" . "TRV-026" . "TRV 026" . "TRV 023" . "TRV-023" . "relatlimab-rmbw" . "Opdualag® (nivolumab + relatlimab-rmbw)" . "AZD-9574" . "BLU-945" . "BLU 945" . "Compound 150 [WO2021133809A1]" . "AMG 650" . "AMG-650" . "example 11-52 [US20200239441A1]" . "PF07038124" . "Example 4 [US2020108083A1]" . "example 20 [WO2021260092A1]" . "BGE-175" . "BGE175" . "S-555739" . "example II-74 [US8153793B2]" . "LY-3372689" . "BMS189532" . "AGN-193491" . "compound 2 [PMID: 24040487]" . "N0385" . "Ms-QFR-Kbt" . "example 2 [WO2018112648A1]" . "BMS986176" . "LX-9211" . "LX9211" . "EGIS11150" . "S 36549" . "S-36549" . "S36549" . "Vijoice®" . "Igalmi® (dexmedetomidine sublingual film)" . "EZM-0414" . "GDC6036" . "KSQ4279" . "CFT-8634" . "MRTX-0902" . "FHD286" . "VERU-111" . "VERU111" . "BAY-1817080" . "BAY1817080" . "MK-1454" . "compound 26 [PMID: 35332774]" . "MK1454" . "loxoprofen trans-alcohol" . "compound 5a [PMID: 14980665]" . "FT-4202" . "FT4202" . "N-714" . "Ro-4-0403" . "Taractan®" . "Truxal®" . "compound 32 [WO2019226977A1]" . "compound 21 [PMID: 35471939]" . "AZD-4625" . "AZD 4625" . "compound A10 [PMID: 27679845]" . "AX-15836" . "compound 16 [PMID: 34152728]" . "TO-507" . "Camzyos®" . "PSMA-617" . "PSMA617" . "FUJOVEE®" . "TL895" . "TL-895" . "CTX-4430" . "CTX4430" . "APX-115" . "APX115" . "EWHA-18278 (free base)" . "RVX 208" . "Compstatin analog CP40" . "AMY101" . "Compstatin 40" . "CP-40" . "peptide 14 [PMID: 22795972]" . "20-Hydroxyecdysone" . "Crustecdysone" . "Ecdysterone" . "beta-Ecdysone" . "Sarconeos" . "Nafabelltan®" . "CKD-314" . "CKD314" . "ACH-4471" . "ACH4471" . "3-[4-(1H-imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophene-2-[(N-butyloxylcarbamate)-sulphonamide] sodium salt" . "EP7041" . "FB2001" . "FB-2001" . "DC402234" . "DC-402234" . "GLS-1027" . "GLS1027" . "GNS561" . "GNS-561" . "GT0918" . "GT-0918" . "proxalutamide" . "Compound A [WO2021257532A1]" . "Voquezna®" . "Takecab®" . "JT001" . "VV-116" . "X6 hydrobromide [PMID: 34584244]" . "Mounjaro®" . "MCI-186" . "MCI186" . "Radicava®" . "Radicut®" . "RTB101" . "RTB-101" . "GMI-1271" . "GMI1271" . "ABI-701" . "ABI701" . "Triazavirin®" . "TZV" . "Refanalin" . "ANG-3777" . "ANG3777" . "ABBV318" . "compound 73 [PMID: 35436748]" . "ITI-214" . "ITI214" . "compound 3 [PMID: 26789933]" . "Compound 19e [PMID: 35487102]" . "DS-69910557" . "(R)-4e [PMID: 35442672]" . "YH-1885" . "YH1885" . "Revanex®" . "CJ-12420" . "CJ12420" . "K-CAB®" . "Vtama®" . "HM-43239" . "example 8 [US10870639B2]" . "pseudomonic acid" . "Vydura®" . "Kapruvia®" . "Ontilyv®" . "Okedi®" . "Wegovy®" . "Lumykras®" . "Ozawade®" . "Minjuvi®" . "hGH-CTP" . "MOD-4023" . "MOD4023" . "Ngenla®" . "GNF1331" . "cathomycin" . "streptonivicin" . "Albamycin®" . "L-627" . "Omegacin®" . "LJC10,627" . "RPX2003" . "LJC 10,627" . "L 627" . "LJC-10627" . "LJC 10627" . "PA 93" . "cardelmycin" . "LM 427" . "Mycobutin®" . "LM-427" . "Priftin®" . "Omnicef®" . "FK 482" . "FK482" . "FK-482" . "SCE-1365" . "A-50912" . "T-1551" . "T 1551" . "L/105" . "L-105" . "MGL-3196" . "MGL3196" . "compound 53 [PMID: 24712661]" . "VIA-3196" . "VIA3196" . "SM-1652" . "SM 1652" . "WY-44635" . "WY 44635" . "7432-S" . "SCH 39720" . "SCH-39720" . "moxalactam" . "6059-S" . "6059 S" . "6059S" . "LY127935" . "LY 127935" . "LY-127935" . "HR 221" . "HR-221" . "HR 810" . "HR-810" . "Rifamycin L 105" . "Xifaxan®" . "DL 473" . "DL-473" . "DL473" . "MDL 473" . "MDL-473" . "MDL473" . "trappin-2" . "LM427" . "Rifabutine" . "Cefmax®" . "Bestron®" . "SCE 1365" . "SCE1365" . "Abbott 50192" . "Abbott-50192" . "Abbott50192" . "Cefobid®" . "T1551" . "Cedax®" . "SCH39720" . "7432 S" . "S 6059" . "S-6059" . "S6059" . "Lilly 127935" . "Moxam®" . "FK037" . "FK-037" . "FK 037" . "Wincef®" . "Spectracef® (cefditoren pivoxil)" . "ME 1206" . "ME-1206" . "cementoin" . "compound 21 [WO2021053495A1]" . "TTI-621" . "TTI621" . "ALX148" . "ALX-148" . "Xanamem®" . "UE-2343" . "compound 4 [PMID: 28012176]" . "GS-0387" . "GS0387" . "compound 43 [PMID: 35729784]" . "BMS986141" . "compound 49 [PMID: 35729784]" . "compound 39 [PMID: 35652647]" . "MT-3995" . "MT3995" . "KBP5074" . "KBP-5074" . "Example 12 [US9468635B2]" . "polydom" . "compound 2 [PMID: 24363056]" . "N-(Benzenesulfonyl)-L-prolyl-L-O-(1-pyrrolidinylcarbonyl)tyrosine" . "compound 3 [PMID: 12033947]" . "LY-2835219 " . "IL-17 modulator 4" . "compound 3 [PMID: 35352927]" . "RO-6870810" . "Camvia®" . "benzimidavir" . "G1263" . "GW-1263" . "1263W94" . "Livtencity®" . "SAGE718" . "compound 5 [PMID: 35785990]" . "CAD-9303" . "CAD9303" . "Compound 1 [WO2020086136A2]" . "compound I-0006 [WO2022138987]" . "Sohonos®" . "R667" . "CLM-001" . "IPN60120" . "IPN-60120" . "RG-667" . "LDN214117" . "S-1006" . "S 1006" . "Flomox® (cefcapene pivoxil)" . "SCE-2787" . "13R,14S-dihydroxy-docosahexaenoic acid" . "13R,14S-diHDHA" . "maresin-2" . "MaR2" . "Maresin-1" . "MaR1" . "7R-Maresin 1" . "7R,14S-dihydroxydocosa-4Z,8E,10E,12Z,16Z,19Z-hexaenoic acid" . "AITC" . "compound 9 [PMID: 35687819]" . "TP-0556351" . "2-ME2" . "2-MeO-E2" . "Panzem®" . "NSC-659853" . "2ME2" . "BT-7480" . "BCY11863" . "BI3406" . "PF-06882961" . "PF06882961" . "BI167107" . "compound 6b [PMID: 19875286]" . "MRTX849" . "Nvp-jdq443" . "LAS186323" . "compound 5 [PMID: 35404998]" . "example 1a [WO2021120890A1]" . "LY-3499446" . "compound B [WO2022002018A1]" . "SHP2-IN-7" . "RMC4630" . "SAR442720" . "SAR-442720" . "compound A-290 [WO2018013597A1]" . "TNO-155" . "compound 1 [PMID: 32910655]" . "VIC1911" . "TAS-119" . "TAS119" . "example 1 [US10092556B2]" . "compound 33 [PMID: 35878399]" . "RP3500" . "CDKI-73" . "LS-007" . "compound 12e [PMID: 23301767]" . "GDC-6036" . "compound 442 [WO2019161224A1]" . "example 50 [WO2019161224A1]" . "compound 116 [PMID: 28156111]" . "ZN-c3" . "CS2164" . "ARQ-151/Zoryve® (roflumilast cream)" . "CFI-400945" . "CFI400945" . "RP-3500" . "CFI-402257" . "compound I-C-79 [WO2014089379A1]" . "TAS-117" . "TAS117" . "compound 384 [WO2009040556A1]" . "G749" . "HM43239" . "PF-114" . "ANG-3070" . "ANG3070" . "Example 1 [WO2013112959A1]" . "hTrkA-IN-1" . "BLN64892" . "compound 4d [PMID: 27288183]" . "glumetinib (pseoudo INN)" . "SKLB-1028" . "SKLB1028" . "Example 161 [WO2011153942A1]" . "ONO-7475" . "ONO7475" . "compound 18 [WO2013041038A1]" . "XL-092" . "XL092" . "CL-092" . "compound 8 [WO2019148044A1]" . "Example 1 [WO2020252151A1]" . "GS 4875" . "GS-4875" . "Example 22 [WO2021104146A1]" . "example 14 [WO2021081375A1]" . "ARRY-461" . "ARRY461" . "PF-07284890" . "PF07284890" . "RMC-4630" . "TNO155" . "Compound 5 [WO2020223685A1]" . "YUN88562" . "S1p-receptor-agonist-1" . "compound 2 [WO2015039587A1]" . "yonkenafil (pseudo INN)" . "AZD4721" . "AZD-4721" . "RIST4721" . "compound 4 [WO2019055509A1]" . "BION-1301" . "BION1301" . "clone 14_1G.15" . "VIS-649" . "VIS649" . "SRF617" . "SRF-617" . "FTX-6058" . "ASLAN003" . "ASLAN-003" . "SNS032" . "compound 32 [PMID: 35704802]" . "BMS986339" . "BI 425809" . "BI-425809" . "BI425809" . "DNL-201" . "DNL201" . "MK0159" . "compound 37 [PMID: 35762533]" . "NTQ-1062" . "compound 22b [PMID: 35679512]" . "TAS-1553" . "PLN-74809" . "PLN74809" . "MRTX-1719" . "(M)-27" . "MLN 4924" . "MLN4924" . "MLN-4924" . "TAK-924" . "TAK924" . "compound 40 [PMID: 35500094]" . "compound 33 [PMID: 35594150]" . "RLX33" . "Compound 39 [PMID: 35537608]" . "CHF-6297" . "CHF6297" . "CHI 91040" . "CHI91040" . "p38α MAPK-IN-5" . "Sinogliatin" . "RO5305552" . "RO-5305552" . "HMS-5552" . "HMS5552" . "BD1063" . "chlorobiocin" . "RP 18,631" . "antibiotic RP 18,631" . "RP 18631" . "18631 RP" . "novclobiocin 312" . "novclobiocin 311" . "novclobiocin 313" . "Gerox®" . "kanamycin A" . "3',4'-dideoxykanamycin B" . "dideoxykanamycin B" . "(R)-7" . "debecacin" . "HAPA-B" . "Sch 21420" . "Sch-21420" . "TDRL551" . "compound 4 [PMID: 32550990]" . "compound 16 [PMID: 35837138]" . "MS-8815" . "compound 28 [PMID: 27344488]" . "CYD-0618" . "compound 11 [PMID: 23459613]" . "HJC-0152" . "HJC-1-52" . "compound 11 [WO2014113467A1]" . "BRD4-PROTAC 12a" . "WWL-0245" . "PLK1/BRD4-IN-1" . "WNY-0824" . "compound 9b [PMID: 32088495]" . "LSZ-102" . "compound 10 [PMID: 29562737]" . "TL 12-186" . "GB0139" . "GB-0139" . "TD-139" . "TD139" . "ACP-044" . "ACP044" . "compound 1 [WO2020159643A1]" . "compound 2 [PMID: 35977382]" . "LJ4517" . "APD-668" . "JNJ-28630368" . "JNJ28630368" . "compound A129 [WO2005007658A2]" . "compound 3k [PMID: 21444206]" . "GS-4224" . "GS4224" . "FLX-475" . "example 43 [WO2018022992A1]" . "NDI034858" . "compound I-908 [US20190256519A1]" . "compound 88 [WO2019238424A1]" . "GLPG-3970" . "Sch 20569" . "1-N-ethylsisomicin" . "compound 16 [PMID: 36005476]" . "AZD4831" . "AZD-4831" . "Humatin®" . "Diluran" . "Diamox®" . "neomycin E" . "monomycin A" . "catenulin" . "SF-733" . "gentamicin C2b" . "XK-62-2" . "Luxomicina®" . "Sagamicin®" . "BI4142" . "compound 8 [PMID: 35883003]" . "example L-1 [WO2021156178A1]" . "compound 29 [PMID: 35901125]" . "CHF6366" . "CC99677" . "compound 19 [PMID: 36037148]" . "THAL-SNS032" . "BI-655130" . "BI655130" . "spesolimab-sbzo" . "Spevigo®" . "compound 26 [PMID: 36044544]" . "UCM1306" . "MCC7840" . "MCC-7840" . "Inzomelid" . "RG6418" . "RG-6418" . "Example 6 [WO2019008025A1]" . "compound 27 [PMID: 36063115]" . "LY-3502970" . "OWL833" . "Zybrestat (fosbretabulin disodium)" . "GNC 038" . "GNC-038" . "GNC038" . "GNC-039" . "GNC039" . "Sotyktu®" . "HM10460A" . "HM-10460A" . "SPI-2012" . "SPI2012" . "eflapegrastim-xnst" . "Rolvedon®" . "rolontis" . "RG7774" . "RG-7774" . "Terlivaz®" . "kanamycin B" . "nebramycin V" . "S 4661" . "S-4661" . "Doribax®" . "compound 1m [PMID: 8621362]" . "RS-533" . "RS 533" . "CS-533" . "CS 533" . "Carbenin® (panipenem + betamipron)" . "Aponvie®" . "inhibitor 3 [PMID: 33944571]" . "example 240 [WO2009158011A1]" . "AAI101" . "AAI-101" . "OCID-5090" . "cephaloridine" . "RG7906" . "RG-7906" . "RO6889450" . "RO-6889450" . "ceporin" . "Example 1 [WO2017157873A1]" . "cephalotin" . "cephalothin" . "Keflin®" . "cephapirin" . "Cefadyl®" . "Metricure®" . "Vetrimast®" . "Celospor®" . "cephacetrile" . "cephacetril" . "cephaloglycin" . "Kafocin®" . "compound 11d [Zetterberg et al., 2022]" . "compound 18 [PMID: 35939295]" . "SPH-3127" . "TTK-21" . "Omlonti®" . "DE-117 (omidenepag isopropyl ophthalmic solution)" . "5'-azido-5'-deoxy-thymidine" . "5'-Thiothymidine" . "5'-deoxy-5'-thiothymidine" . "BAN2401" . "BAN-2401" . "EMD-30087" . "BL-S640" . "Lytgobi®" . "TA-8995" . "TA8995" . "DEZ-001" . "AMG-899" . "compound 5 [PMID: 35930799]" . "GNE064" . "ACT660602" . "compound 9j [PMID: 35947786]" . "GS248" . "BI1029539" . "BI-1029539" . "BI 1029539" . "GS-248" . "compound 9 [PMID: 25260492]" . "RG 7880" . "RG7880" . "UTTR1147A" . "IL-22Fc" . "D-5261" . "CS-1170" . "CS 1170" . "Zefazone®" . "compound 62 [PMID: 36197750]" . "toltrazuril sulfone" . "Cefzil®" . "BMY 28100" . "BMY-28100" . "Refosporen®" . "BL-S 640" . "Romecef®" . "TLQP21" . "TLQPPASSRRRHFHHALPPAR" . "VGF-derived peptide TLQP-21" . "PDE12-IN-3" . "PDE12-IN-1" . "GSK3036342A" . "aminosidine" . "habekacin" . "Marquis® (vet use only)" . "toltrazuril" . "ACD855" . "ACD-855" . "cephamandole" . "U-72791" . "U 72791" . "IMAB362" . "SKF 83088" . "SK&F 75073" . "Monocid®" . "BL-S786" . "BL-S 786" . "Precef®" . "SJB2 043" . "SJB2043" . "USP1-IN-1" . "example 143 [WO2020132269A1]" . "coronastat" . "IMAB-362" . "GC-182" . "claudiximab" . "KVD900" . "KVD-900" . "KVD900" . "compound 14w [PMID: 36251573]" . "compound 20 [PMID: 35961460]" . "DF 2755A" . "DF-2755A" . "DF2726 (acid form)" . "DF2726A (sodium salt)" . "BIIB059" . "BIIB-059" . "BAY069" . "compound 36a [PMID: 36261130]" . "Imjudo®" . "tremelimumab-actl" . "teclistamab-cqyv" . "Tecvayli®" . "JNJ-64007957" . "compound 8a [PMID: 36229406]" . "Upasita®" . "compound 7 [PMID: 36066182]" . "CH-7057288" . "Inducer of cell death-2" . "JNJ64264681" . "compound 13 [PMID: 36314537]" . "JNJ-64407564" . "JNJ64407564" . "Dormagen®" . "PF-06865571" . "PF06865571" . "compound 6 [PMID: 34635855]" . "PF-05221304" . "PF05221304" . "ND 630" . "CP640186" . "compound 1 [PMID: 16973360]" . "CP 640,186" . "SIR1365" . "example 13 [US20210284598A1]" . "GSK-3145095" . "compound 6 [PMID: 31223438]" . "IPN60130" . "IPN-60130" . "example 93 [WO2019114770A1]" . "SIAIS 164029" . "LY163892" . "LY-163892" . "KT-3777" . "LY 163892" . "Lorabid®" . "compound 14 [PMID: 36355693]" . "D-6808" . "IMGN853" . "IMGN-853" . "mirvetuximab soravtansine-gynx" . "Elahere®" . "M9346A-sulfo-SPDB-DM4" . "teplizumab-mzwv" . "Tzield®" . "MGA031" . "humanized OKT3" . "PRV-031" . "MT 141" . "SCE 963" . "CaCCinh-A01" . "compound 3 [PMID: 28493701]" . "chloromycetin" . "lipiarmycin" . "PAR 101" . "PAR101" . "tiacumicin B" . "Xocova®" . "ACX-362E" . "LIT001" . "compound 50 [PMID: 17234419]" . "SRX-246" . "SRX 246" . "LLL-12" . "TTI 101" . "TTI101" . "GDC2394" . "C188-9" . "JNJ-64251330" . "JNJ64251330" . "BOS 161721" . "BOS161721" . "compound 5 [PMID: 36442664]" . "Sunlenca®" . "Mitchga®" . "Carogra®" . "Lyfnua®" . "Envida®" . "BI 0474" . "BI0474" . "compound 23 [PMID: 36300829]" . "CP-456773" . "compound 20 [PMID: 36279149]" . "Rezlidhia®" . "YTK2205" . "YTK 2205" . "example 2 [US20210163399A1]" . "DS-3201" . "DS3201" . "Ezharmia®" . "(R)-OR-S2" . "KLH-2109" . "KLH2109" . "OBE2109" . "OBE-2109" . "Yselty®" . "Jeselhy®" . "TAS116" . "TAS-116" . "compound 16e [PMID: 30525599]" . "ZYAN1" . "ZYAN-1" . "Oxemia®" . "EXAMPLE 2 [WO2014102818A1]" . "compound 22 [PMID: 9703472]" . "Pivlaz®" . "AXV-034343" . "AXV034343" . "Bilessglu®" . "CS038" . "CS-038" . "Diclocil®" . "BRL-1702" . "Dynapen®" . "meticillin" . "Multocillin®" . "BAYPEN®" . "Mezlin®" . "SBPC" . "Micinovo®" . "Viderpen®" . "methampicillin" . "phenethicillin" . "carbenicillin indanyl" . "Geocillin®" . "CP-15,464-2" . "CP-15,464-2" . "CP-15464-2" . "6315-S" . "Flumarin®" . "f" . "PRL-2970" . "PRL-2970" . . "f" . "BIM 23058" . "BIM 23058" . . "f" . "leptin" . "leptin" . . "f" . "LH" . "LH" . . "f" . "obestatin" . "obestatin" . . "f" . "Lys-kallidin" . "Lys-kallidin" . . "f" . "Gal-B2-C14" . "Gal-B2-C14" . . "(+)-DOI" . "(+)-DOI" . . "f" . "R-715" . "R-715" . . "f" . "neuropeptide B-29" . "neuropeptide B-29" . . "f" . "C3a" . "C3a" . . "f" . "CHIPS" . "CHIPS" . . "f" . "M1152" . "M1152" . . "f" . "NAN 190" . "NAN 190" . . "f" . "BIM 23295" . "BIM 23295" . . "f" . "CCK-58" . "CCK-58" . . "f" . "spantide I" . "spantide I" . . "f" . "prolactin" . "prolactin" . . "f" . "ACTH" . "ACTH" . . "f" . "ALX40-4C" . "ALX40-4C" . . "f" . "spantide II" . "spantide II" . . "f" . "PDGF AA" . "PDGF AA" . . "f" . "galanin" . "galanin" . . "11-deoxy-PGE2" . "11-deoxy-PGE2" . . "f" . "S36540" . "S36540" . . "f" . "neuropeptide S" . "neuropeptide S" . . "f" . "UFP-101" . "UFP-101" . . "f" . "sabcomeline" . "sabcomeline" . . "f" . "bretazenil" . "bretazenil" . . "Hg2+" . "Hg2+" . . "f" . "BIM 23197" . "BIM 23197" . . "f" . "[3H]banyu (I)" . "[3H]banyu (I)" . . "f" . "2-pentenal" . "2-pentenal" . . "f" . "dynorphin A-(1-13)" . "dynorphin A-(1-13)" . . "f" . "MSOPPE" . "MSOPPE" . . "f" . "acrolein" . "acrolein" . . "f" . "JMV457" . "JMV457" . . "f" . "Cs+" . "Cs+" . . "f" . "antisauvagine" . "antisauvagine" . . "alkylbenzene sulfonate" . "alkylbenzene sulfonate" . . "f" . "WS-23" . "WS-23" . . "Ag+" . "Ag+" . . "f" . "S36057" . "S36057" . . "f" . "FGF-5" . "FGF-5" . . "f" . "[des-Gln14]ghrelin" . "[des-Gln14]ghrelin" . . "f" . "PYY-(3-36)" . "PYY-(3-36)" . . "f" . "4α-PDD" . "4α-PDD" . . "f" . "adrenomedullin" . "adrenomedullin" . . "f" . "FGF-6" . "FGF-6" . . "f" . "Ni2+" . "Ni2+" . . "f" . "MK-212" . "MK-212" . . "f" . "ShK(L5)" . "ShK(L5)" . . "f" . "FGF-7" . "FGF-7" . . "f" . "TIP39-(3-39) (human/bovine)" . "TIP39-(3-39) (human/bovine)" . . "f" . "APNEA" . "APNEA" . . "f" . "[125I]neurotensin (human, mouse, rat)" . "[125I]neurotensin (human, mouse, rat)" . . "f" . "MRS2905" . "MRS2905" . . "f" . "apelin-13(F13A)" . "apelin-13(F13A)" . . "f" . "MRS2802" . "MRS2802" . . "f" . "MRS1067" . "MRS1067" . . "f" . "HIV-Tat" . "HIV-Tat" . . "f" . "(+)-SKF 10.047" . "(+)-SKF 10.047" . . "f" . "[125I]ACTH-(1-24)" . "[125I]ACTH-(1-24)" . . "f" . "[125I]AM (rat)" . "[125I]AM (rat)" . . "f" . "[125I]PYY-(3-36) (human)" . "[125I]PYY-(3-36) (human)" . . "f" . "[125I]QRFP43 (human)" . "[125I]QRFP43 (human)" . . "f" . "[125I]SHU9119" . "[125I]SHU9119" . . "f" . "huntingtin" . "huntingtin" . . "f" . "[125I]SP (human, mouse, rat)" . "[125I]SP (human, mouse, rat)" . . "f" . "[125I]TSH (human)" . "[125I]TSH (human)" . . "f" . "C3a" . "C3a" . . "f" . "immethridine" . "immethridine" . . "f" . "Gal-B2-C18" . "Gal-B2-C18" . . "f" . "bepafant" . "bepafant" . . "f" . "amthamine" . "amthamine" . . "f" . "BIM 23059" . "BIM 23059" . . "f" . "NPY" . "NPY" . . "f" . "CX516" . "CX516" . . "f" . "CX546" . "CX546" . . "f" . "Gd3+" . "Gd3+" . . "f" . "thrombin heavy chain" . "thrombin heavy chain" . . "f" . "hepcidin-25" . "hepcidin-25" . . "f" . "CTR-stimulating peptide" . "CTR-stimulating peptide" . . "f" . "3-MATIDA" . "3-MATIDA" . . "f" . "orexin-A" . "orexin-A" . . "f" . "JMV2004" . "JMV2004" . . "f" . "FGF-8" . "FGF-8" . . "f" . "Wnt-10a" . "Wnt-10a" . . "f" . "FGF-9" . "FGF-9" . . "f" . "[125I]BIM23027" . "[125I]BIM23027" . . "f" . "SC-50998" . "SC-50998" . . "f" . "[Pro34]PYY (human)" . "[Pro34]PYY (human)" . . "f" . "analog 3 [PMID:18543899]" . "analog 3 [PMID:18543899]" . . "f" . "[3H]nicotinic acid" . "[3H]nicotinic acid" . . "f" . "acifran" . "acifran" . . "f" . "ethyketazocine" . "ethyketazocine" . . "f" . "analog 30 [PMID:18543899]" . "analog 30 [PMID:18543899]" . . "f" . "analog 31 [PMID:18543899]" . "analog 31 [PMID:18543899]" . . "f" . "[125I]VIP (human, mouse, rat)" . "[125I]VIP (human, mouse, rat)" . . "f" . "[Ala11,22,28]VIP" . "[Ala11,22,28]VIP" . . "f" . "eugenol" . "eugenol" . . "f" . "NS309" . "NS309" . . "f" . "dihydrolipoic acid" . "dihydrolipoic acid" . . "f" . "YSFKPMPLaR" . "YSFKPMPLaR" . . "CCL20-SEAP(His)6" . "CCL20-SEAP(His)6" . . "f" . "PPAHV" . "PPAHV" . . "f" . "vitronectin V10 subunit" . "vitronectin V10 subunit" . . "f" . "MZ-6-55" . "MZ-6-55" . . "f" . "NS8593" . "NS8593" . . "f" . "[125I]kisspeptin-10 (human)" . "[125I]kisspeptin-10 (human)" . . "f" . "Gal-R2-dPEG24" . "Gal-R2-dPEG24" . . "f" . "[3H]fenobam" . "[3H]fenobam" . . "f" . "tamapin" . "tamapin" . . "f" . "P05" . "P05" . . "f" . "GMAP(1-41)" . "GMAP(1-41)" . . "f" . "[3H]AVP (human, mouse, rat)" . "[3H]AVP (human, mouse, rat)" . . "f" . "[125I][Tyr4]bombesin" . "[125I][Tyr4]bombesin" . . "B-10356" . "B-10356" . . "f" . "allicin" . "allicin" . . "f" . "AYPGKF-NH2" . "AYPGKF-NH2" . . "f" . "oleamide" . "oleamide" . . "f" . "Zn2+" . "Zn2+" . . "f" . "dimethylamine" . "dimethylamine" . . "f" . "WS-3" . "WS-3" . . "f" . "citric acid" . "citric acid" . . "f" . "HCl" . "HCl" . . "f" . "malic acid" . "malic acid" . . "f" . "TZD18" . "TZD18" . . "f" . "Y-KE88" . "Y-KE88" . . "f" . "[des-Gln14]ghrelin" . "[des-Gln14]ghrelin" . . "f" . "motilin" . "motilin" . . "f" . "SB656104" . "SB656104" . . "f" . "[3H](Pyr1)[Met(0)11]-apelin-13" . "[3H](Pyr1)[Met(0)11]-apelin-13" . . "f" . "FUB 465" . "FUB 465" . . "f" . "PSN375963" . "PSN375963" . . "f" . "S36539" . "S36539" . . "f" . "[125I]CGP 23996" . "[125I]CGP 23996" . . "f" . "[125I]PrRP31" . "[125I]PrRP31" . . "f" . "3-mercaptopyruvic acid" . "3-mercaptopyruvic acid" . . "f" . "DOTA-BASS" . "DOTA-BASS" . . "f" . "agouti" . "agouti" . . "f" . "NE21650" . "NE21650" . . "f" . "BIM 23060" . "BIM 23060" . . "f" . "[125I]apelin-13" . "[125I]apelin-13" . . "f" . "[125I]OH-LVA" . "[125I]OH-LVA" . . "f" . "sFRP-5" . "sFRP-5" . . "f" . "β-endorphin" . "β-endorphin" . . "f" . "18R-HEPE" . "18R-HEPE" . . "f" . "chemerin" . "chemerin" . . "f" . "S38151" . "S38151" . . "f" . "JV-1-42" . "JV-1-42" . . "f" . "[125I]NDP-MSH" . "[125I]NDP-MSH" . . "f" . "JV-1-37" . "JV-1-37" . . "f" . "BIM 23627" . "BIM 23627" . . "f" . "(+)-ADTN" . "(+)-ADTN" . . "f" . "[Ile5]PTHrP-(1-36)" . "[Ile5]PTHrP-(1-36)" . . "f" . "camphor" . "camphor" . . "thiochrome" . "thiochrome" . . "f" . "[125I]Tyr0-CRF (human, rat, mouse)" . "[125I]Tyr0-CRF (human, rat, mouse)" . . "f" . "DOI" . "DOI" . . "f" . "relaxin-3 (B chain)" . "relaxin-3 (B chain)" . . "f" . "ipsapirone" . "ipsapirone" . . "f" . "flesinoxan" . "flesinoxan" . . "f" . "quinpirole" . "quinpirole" . . "f" . "1-naphthylpiperazine" . "1-naphthylpiperazine" . . "f" . "5-CT" . "5-CT" . . "f" . "5-hydroxytryptamine" . "5-hydroxytryptamine" . . "f" . "7-methoxy-1-naphthylpiperazine" . "7-methoxy-1-naphthylpiperazine" . . "f" . "8-OH-DPAT" . "8-OH-DPAT" . . "f" . "BMY-14802" . "BMY-14802" . . "f" . "BMY-7378" . "BMY-7378" . . "f" . "BRL-15572" . "BRL-15572" . . "f" . "CP 93129" . "CP 93129" . . "f" . "EMDT" . "EMDT" . . "f" . "FG-5893" . "FG-5893" . . "f" . "GR 127935" . "GR 127935" . . "f" . "L-694,247" . "L-694,247" . . "f" . "L-772,405" . "L-772,405" . . "f" . "Lysergide" . "Lysergide" . . "f" . "LY 165,163" . "LY 165,163" . . "f" . "LY293284" . "LY293284" . . "f" . "LY334370" . "LY334370" . . "f" . "LY344864" . "LY344864" . . "t" . "asenapine" . "asenapine" . . "f" . "RU 24969" . "RU 24969" . . "f" . "S-14506" . "S-14506" . . "f" . "S-14671" . "S-14671" . . "f" . "S-15535" . "S-15535" . . "f" . "SB 216641" . "SB 216641" . . "f" . "capeserod" . "capeserod" . . "f" . "U92016A" . "U92016A" . . "f" . "[3H]8-OH-DPAT" . "[3H]8-OH-DPAT" . . "f" . "[3H]S-15535" . "[3H]S-15535" . . "t" . "apomorphine" . "apomorphine" . . "t" . "aripiprazole" . "aripiprazole" . . "t" . "bromocriptine" . "bromocriptine" . . "t" . "buspirone" . "buspirone" . . "t" . "cabergoline" . "cabergoline" . . "t" . "olanzapine" . "olanzapine" . . "t" . "clozapine" . "clozapine" . . "f" . "donitriptan" . "donitriptan" . . "t" . "eletriptan" . "eletriptan" . . "f" . "fluparoxan" . "fluparoxan" . . "t" . "lisuride" . "lisuride" . . "f" . "nafadotride" . "nafadotride" . . "t" . "naratriptan" . "naratriptan" . . "f" . "ocaperidone" . "ocaperidone" . . "f" . "(-)-tertatolol" . "(-)-tertatolol" . . "t" . "pergolide" . "pergolide" . . "f" . "piribedil" . "piribedil" . . "t" . "quetiapine" . "quetiapine" . . "t" . "rizatriptan" . "rizatriptan" . . "f" . "roxindole" . "roxindole" . . "f" . "spiroxatrine" . "spiroxatrine" . . "t" . "sumatriptan" . "sumatriptan" . . "f" . "tandospirone" . "tandospirone" . . "f" . "(R)-flurocarazolol" . "(R)-flurocarazolol" . . "t" . "terguride" . "terguride" . . "f" . "xanomeline" . "xanomeline" . . "f" . "zalospirone" . "zalospirone" . . "t" . "ziprasidone" . "ziprasidone" . . "t" . "zolmitriptan" . "zolmitriptan" . . "f" . "(S)-UH 301" . "(S)-UH 301" . . "f" . "(+)-butaclamol" . "(+)-butaclamol" . . "f" . "(-)-propranolol" . "(-)-propranolol" . . "f" . "(S)-flurocarazolol" . "(S)-flurocarazolol" . . "f" . "9-OH-risperidone" . "9-OH-risperidone" . . "f" . "p-MPPI" . "p-MPPI" . . "f" . "GR 125,743" . "GR 125,743" . . "f" . "GR 218,231" . "GR 218,231" . . "f" . "MPDT" . "MPDT" . . "f" . "robalzotan" . "robalzotan" . . "f" . "Rec 15/3079" . "Rec 15/3079" . . "f" . "SB 272183" . "SB 272183" . . "f" . "SB 649915" . "SB 649915" . . "f" . "SB 714786" . "SB 714786" . . "f" . "SDZ-216525" . "SDZ-216525" . . "f" . "WAY-100135" . "WAY-100135" . . "f" . "WAY-100635" . "WAY-100635" . . "f" . "[3H]p-MPPF" . "[3H]p-MPPF" . . "f" . "[3H]robalzotan" . "[3H]robalzotan" . . "t" . "chlorpromazine" . "chlorpromazine" . . "f" . "cyamemazine" . "cyamemazine" . . "t" . "pimozide" . "pimozide" . . "t" . "fluspirilene" . "fluspirilene" . . "t" . "haloperidol" . "haloperidol" . . "t" . "iloperidone" . "iloperidone" . . "t" . "ketanserin" . "ketanserin" . . "f" . "methiothepin" . "methiothepin" . . "t" . "pindolol" . "pindolol" . . "f" . "pipamperone" . "pipamperone" . . "t" . "pizotifen" . "pizotifen" . . "f" . "raclopride" . "raclopride" . . "f" . "repinotan" . "repinotan" . . "t" . "risperidone" . "risperidone" . . "f" . "ritanserin" . "ritanserin" . . "t" . "sertindole" . "sertindole" . . "f" . "EGIS-7625" . "EGIS-7625" . . "f" . "L-741,626" . "L-741,626" . . "f" . "spiperone" . "spiperone" . . "t" . "thioridazine" . "thioridazine" . . "f" . "tiospirone" . "tiospirone" . . "t" . "yohimbine" . "yohimbine" . . "t" . "zotepine" . "zotepine" . . "f" . "LY063518" . "LY063518" . . "f" . "LY108742" . "LY108742" . . "f" . "LY215840" . "LY215840" . . "f" . "LY314228" . "LY314228" . . "f" . "RS-30199" . "RS-30199" . . "f" . "5-(nonyloxy)-tryptamine" . "5-(nonyloxy)-tryptamine" . . "f" . "5-MeOT" . "5-MeOT" . . "f" . "BMS 181,101" . "BMS 181,101" . . "f" . "CGS-12066" . "CGS-12066" . . "f" . "CP-122288" . "CP-122288" . . "f" . "GR-55562" . "GR-55562" . . "f" . "L-775,606" . "L-775,606" . . "f" . "TFMPP" . "TFMPP" . . "f" . "[3H]alniditan" . "[3H]alniditan" . . "f" . "[3H]eletriptan" . "[3H]eletriptan" . . "f" . "[3H]sumatriptan" . "[3H]sumatriptan" . . "f" . "alniditan" . "alniditan" . . "t" . "dihydroergotamine" . "dihydroergotamine" . . "f" . "dipropyl-5-CT" . "dipropyl-5-CT" . . "f" . "lysergol" . "lysergol" . . "f" . "LY320954" . "LY320954" . . "f" . "LY53857" . "LY53857" . . "f" . "LY86057" . "LY86057" . . "f" . "volinanserin" . "volinanserin" . . "t" . "oxymetazoline" . "oxymetazoline" . . "f" . "tryptamine" . "tryptamine" . . "f" . "(+)-WAY 100135" . "(+)-WAY 100135" . . "f" . "(-)-pindolol" . "(-)-pindolol" . . "f" . "5-OH-DPAT" . "5-OH-DPAT" . . "f" . "S33084" . "S33084" . . "f" . "SB 224289" . "SB 224289" . . "f" . "[3H]GR 125,743" . "[3H]GR 125,743" . . "f" . "cyanopindolol" . "cyanopindolol" . . "f" . "metergoline" . "metergoline" . . "t" . "methysergide" . "methysergide" . . "f" . "LY334362" . "LY334362" . . "t" . "mianserin" . "mianserin" . . "f" . "rauwolscine" . "rauwolscine" . . "f" . "5-HT-moduline" . "5-HT-moduline" . . "f" . "lysergic acid" . "lysergic acid" . . "f" . "dimethyltryptamine" . "dimethyltryptamine" . . "f" . "m-chlorophenylpiperazine" . "m-chlorophenylpiperazine" . . "f" . "SB 277011-A" . "SB 277011-A" . . "f" . "bufotenine" . "bufotenine" . . "f" . "5-MeO-DMT" . "5-MeO-DMT" . . "f" . "5-fluorotryptamine" . "5-fluorotryptamine" . . "t" . "ergometrine" . "ergometrine" . . "t" . "ergotamine" . "ergotamine" . . "f" . "[3H]mesulergine" . "[3H]mesulergine" . . "t" . "methylergonovine" . "methylergonovine" . . "f" . "[3H]LY334370" . "[3H]LY334370" . . "f" . "α-methyl-5-HT" . "α-methyl-5-HT" . . "f" . "(+)-LSD" . "(+)-LSD" . . "f" . "[3H](+)DOB" . "[3H](+)DOB" . . "f" . "(R)-DOI" . "(R)-DOI" . . "f" . "N-1-isopropyl-5-MeOT" . "N-1-isopropyl-5-MeOT" . . "f" . "N-1-isopropyltryptamine" . "N-1-isopropyltryptamine" . . "f" . "AL-37350A" . "AL-37350A" . . "f" . "BW723C86" . "BW723C86" . . "f" . "brolamfetamine" . "brolamfetamine" . . "f" . "DOM" . "DOM" . . "f" . "Ro 60-0175" . "Ro 60-0175" . . "f" . "S 16924" . "S 16924" . . "f" . "VER-3323" . "VER-3323" . . "f" . "[125I]DOI" . "[125I]DOI" . . "f" . "Org 12962" . "Org 12962" . . "f" . "ORG-37684" . "ORG-37684" . . "f" . "quipazine" . "quipazine" . . "f" . "AC-90179" . "AC-90179" . . "f" . "spiramide" . "spiramide" . . "f" . "glemanserin" . "glemanserin" . . "f" . "RS-102221" . "RS-102221" . . "f" . "RS-127445" . "RS-127445" . . "f" . "SB 206553" . "SB 206553" . . "f" . "SB 215505" . "SB 215505" . . "f" . "SB 221284" . "SB 221284" . . "f" . "SB 228357" . "SB 228357" . . "f" . "SB 242084" . "SB 242084" . . "f" . "SB 243213" . "SB 243213" . . "f" . "SDZ SER-082" . "SDZ SER-082" . . "f" . "[3H]N-methylspiperone" . "[3H]N-methylspiperone" . . "f" . "[3H]ketanserin" . "[3H]ketanserin" . . "t" . "agomelatine" . "agomelatine" . . "f" . "amesergide" . "amesergide" . . "t" . "amitriptyline" . "amitriptyline" . . "t" . "amoxapine" . "amoxapine" . . "t" . "duloxetine" . "duloxetine" . . "t" . "fluoxetine" . "fluoxetine" . . "t" . "fluphenazine" . "fluphenazine" . . "t" . "loxapine" . "loxapine" . . "f" . "mesulergine" . "mesulergine" . . "t" . "molindone" . "molindone" . . "f" . "norfluoxetine" . "norfluoxetine" . . "t" . "perphenazine" . "perphenazine" . . "t" . "sarpogrelate" . "sarpogrelate" . . "f" . "sergolexole" . "sergolexole" . . "t" . "thiothixene" . "thiothixene" . . "t" . "trazodone" . "trazodone" . . "t" . "trifluoperazine" . "trifluoperazine" . . "f" . "norfenfluramine" . "norfenfluramine" . . "f" . "(+)-norfenfluramine" . "(+)-norfenfluramine" . . "f" . "(-)-norfenfluramine" . "(-)-norfenfluramine" . . "f" . "2-methyl-5-HT" . "2-methyl-5-HT" . . "f" . "[3H]LSD" . "[3H]LSD" . . "f" . "SB 204741" . "SB 204741" . . "f" . "[3H]rauwolscine" . "[3H]rauwolscine" . . "t" . "melatonin" . "melatonin" . . "f" . "piboserod" . "piboserod" . . "t" . "tegaserod" . "tegaserod" . . "f" . "WAY-163909" . "WAY-163909" . . "f" . "YM348" . "YM348" . . "f" . "BIMU 1" . "BIMU 1" . . "f" . "BIMU 8" . "BIMU 8" . . "f" . "ML 10302" . "ML 10302" . . "f" . "RS 57639" . "RS 57639" . . "f" . "RS 67333" . "RS 67333" . . "f" . "SC 53116" . "SC 53116" . . "f" . "[3H]RS 57639" . "[3H]RS 57639" . . "t" . "cisapride" . "cisapride" . . "t" . "metoclopramide" . "metoclopramide" . . "t" . "mosapride" . "mosapride" . . "f" . "[3H]5-CT" . "[3H]5-CT" . . "f" . "SB 699551" . "SB 699551" . . "t" . "prucalopride" . "prucalopride" . . "f" . "renzapride" . "renzapride" . . "f" . "zacopride" . "zacopride" . . "f" . "DAU 6285" . "DAU 6285" . . "f" . "GR 113808" . "GR 113808" . . "f" . "GR 125487" . "GR 125487" . . "f" . "ML 10375" . "ML 10375" . . "f" . "RS 100235" . "RS 100235" . . "f" . "RS 116 0086" . "RS 116 0086" . . "f" . "RO 116 1148" . "RO 116 1148" . . "f" . "RS 39604" . "RS 39604" . . "f" . "SB 203186" . "SB 203186" . . "f" . "SB 204070" . "SB 204070" . . "f" . "SB 207710" . "SB 207710" . . "f" . "SDZ 205557" . "SDZ 205557" . . "f" . "[3H]GR 113808" . "[3H]GR 113808" . . "t" . "tropisetron" . "tropisetron" . . "f" . "[125I]LSD" . "[125I]LSD" . . "f" . "5-benzyloxytryptamine" . "5-benzyloxytryptamine" . . "f" . "DM-1451" . "DM-1451" . . "f" . "OPC 4392" . "OPC 4392" . . "f" . "lergotrile" . "lergotrile" . . "f" . "α-ergocryptine" . "α-ergocryptine" . . "f" . "2-bromo-LSD" . "2-bromo-LSD" . . "f" . "ICI 169369" . "ICI 169369" . . "f" . "Ro 04-6790" . "Ro 04-6790" . . "f" . "Ro 63-0563" . "Ro 63-0563" . . "f" . "SB 271046" . "SB 271046" . . "t" . "cyproheptadine" . "cyproheptadine" . . "f" . "dihydroergocristine" . "dihydroergocristine" . . "f" . "fluperlapine" . "fluperlapine" . . "f" . "2-MPP" . "2-MPP" . . "f" . "SB 258719" . "SB 258719" . . "f" . "dihydroergocryptine" . "dihydroergocryptine" . . "f" . "pirenperone" . "pirenperone" . . "f" . "(±)YM796" . "(±)YM796" . . "f" . "(+)-aceclidine" . "(+)-aceclidine" . . "f" . "(-)-YM796" . "(-)-YM796" . . "f" . "[3H]QNB" . "[3H]QNB" . . "f" . "(-)-aceclidine" . "(-)-aceclidine" . . "f" . "AC-42" . "AC-42" . . "f" . "McN-A-343" . "McN-A-343" . . "f" . "NNC 11-1314" . "NNC 11-1314" . . "f" . "NNC 11-1585" . "NNC 11-1585" . . "f" . "NNC 11-1607" . "NNC 11-1607" . . "f" . "acetylcholine" . "acetylcholine" . . "f" . "arecaidine propargyl ester" . "arecaidine propargyl ester" . . "f" . "arecoline" . "arecoline" . . "t" . "bethanechol" . "bethanechol" . . "t" . "carbachol" . "carbachol" . . "f" . "furtrethonium" . "furtrethonium" . . "f" . "methylfurmethide" . "methylfurmethide" . . "f" . "milameline" . "milameline" . . "f" . "oxotremorine" . "oxotremorine" . . "f" . "oxotremorine-M" . "oxotremorine-M" . . "f" . "pentylthio-TZTP" . "pentylthio-TZTP" . . "t" . "pilocarpine" . "pilocarpine" . . "f" . "4-DAMP" . "4-DAMP" . . "f" . "p-F-HHSiD" . "p-F-HHSiD" . . "f" . "otenzepad" . "otenzepad" . . "f" . "hexahydrosiladifenidol" . "hexahydrosiladifenidol" . . "f" . "muscarinic toxin 1" . "muscarinic toxin 1" . . "f" . "muscarinic toxin 2" . "muscarinic toxin 2" . . "f" . "muscarinic toxin 3" . "muscarinic toxin 3" . . "f" . "muscarinic toxin 7" . "muscarinic toxin 7" . . "t" . "N-methyl scopolamine" . "N-methyl scopolamine" . . "f" . "[3H]N-methyl scopolamine" . "[3H]N-methyl scopolamine" . . "f" . "[3H]darifenacin" . "[3H]darifenacin" . . "t" . "atropine" . "atropine" . . "t" . "darifenacin" . "darifenacin" . . "f" . "hexahydrodifenidol" . "hexahydrodifenidol" . . "f" . "hexocyclium" . "hexocyclium" . . "f" . "himbacine" . "himbacine" . . "t" . "ipratropium" . "ipratropium" . . "f" . "lithocholylcholine" . "lithocholylcholine" . . "f" . "methoctramine" . "methoctramine" . . "t" . "pirenzepine" . "pirenzepine" . . "f" . "dimethyl-W84" . "dimethyl-W84" . . "t" . "propantheline" . "propantheline" . . "t" . "scopolamine" . "scopolamine" . . "f" . "silahexocyclium" . "silahexocyclium" . . "f" . "N-benzyl brucine" . "N-benzyl brucine" . . "f" . "N-desmethylclozapine" . "N-desmethylclozapine" . . "f" . "AC-260584" . "AC-260584" . . "f" . "Gö 7874" . "Gö 7874" . . "f" . "K-252a" . "K-252a" . . "f" . "KT 5720" . "KT 5720" . . "f" . "KT 5823" . "KT 5823" . . "f" . "WIN 51,708" . "WIN 51,708" . . "f" . "WIN 62,577" . "WIN 62,577" . . "f" . "alcuronium" . "alcuronium" . . "f" . "brucine" . "brucine" . . "f" . "brucine N-oxide" . "brucine N-oxide" . . "f" . "N-chloromethyl-brucine" . "N-chloromethyl-brucine" . . "f" . "vinburnine" . "vinburnine" . . "f" . "staurosporine" . "staurosporine" . . "f" . "strychnine" . "strychnine" . . "f" . "vincamine" . "vincamine" . . "f" . "SCH 57790" . "SCH 57790" . . "f" . "[3H]clidinium" . "[3H]clidinium" . . "f" . "[3H]4NMPB" . "[3H]4NMPB" . . "t" . "dexetimide" . "dexetimide" . . "t" . "dicyclomine" . "dicyclomine" . . "f" . "[3H]CCPA" . "[3H]CCPA" . . "t" . "gallamine" . "gallamine" . . "t" . "imipramine" . "imipramine" . . "f" . "levetimide" . "levetimide" . . "t" . "oxybutynin" . "oxybutynin" . . "t" . "tolterodine" . "tolterodine" . . "f" . "tripitramine" . "tripitramine" . . "f" . "W-84" . "W-84" . . "f" . "WDuo3" . "WDuo3" . . "f" . "[3H]dimethyl-W84" . "[3H]dimethyl-W84" . . "t" . "clidinium" . "clidinium" . . "t" . "tiotropium" . "tiotropium" . . "f" . "[3H]AF DX-384" . "[3H]AF DX-384" . . "f" . "(R,S)-PHPNECA" . "(R,S)-PHPNECA" . . "f" . "2-chloroadenosine" . "2-chloroadenosine" . . "f" . "2-hexynyl-NECA" . "2-hexynyl-NECA" . . "f" . "CCPA" . "CCPA" . . "f" . "CGS 21680" . "CGS 21680" . . "f" . "LUF5831" . "LUF5831" . . "f" . "NECA" . "NECA" . . "f" . "PENECA" . "PENECA" . . "f" . "cyclopentyladenosine" . "cyclopentyladenosine" . . "f" . "AS100" . "AS100" . . "f" . "AS70" . "AS70" . . "f" . "AS99" . "AS99" . . "f" . "CGS 15943" . "CGS 15943" . . "f" . "8-cyclopentyltheophylline" . "8-cyclopentyltheophylline" . . "f" . "DPCPX" . "DPCPX" . . "f" . "FR194921" . "FR194921" . . "f" . "isobutylmethylxanthine" . "isobutylmethylxanthine" . . "f" . "L-97-1" . "L-97-1" . . "f" . "MRE 2029F20" . "MRE 2029F20" . . "f" . "MRS1041" . "MRS1041" . . "f" . "MRS1042" . "MRS1042" . . "f" . "MRS1062" . "MRS1062" . . "f" . "MRS1065" . "MRS1065" . . "f" . "MRS1066" . "MRS1066" . . "f" . "MRS1084" . "MRS1084" . . "f" . "MRS1086" . "MRS1086" . . "f" . "MRS1093" . "MRS1093" . . "f" . "MRS1132" . "MRS1132" . . "f" . "MRS923" . "MRS923" . . "f" . "MRS928" . "MRS928" . . "f" . "SCH 58261" . "SCH 58261" . . "f" . "xanthine amine congener" . "xanthine amine congener" . . "f" . "ZM-241385" . "ZM-241385" . . "f" . "[3H]DPCPX" . "[3H]DPCPX" . . "t" . "caffeine" . "caffeine" . . "f" . "flavanone" . "flavanone" . . "f" . "flavone" . "flavone" . . "f" . "galangin" . "galangin" . . "f" . "morin" . "morin" . . "f" . "sakuranetin" . "sakuranetin" . . "t" . "theophylline" . "theophylline" . . "f" . "(R)-PIA" . "(R)-PIA" . . "f" . "(S)-PIA" . "(S)-PIA" . . "f" . "AB-MECA" . "AB-MECA" . . "f" . "CGS 24012" . "CGS 24012" . . "f" . "CV-1674" . "CV-1674" . . "f" . "CV-1808" . "CV-1808" . . "f" . "piclidenoson" . "piclidenoson" . . "f" . "N(6)-cyclohexyladenosine" . "N(6)-cyclohexyladenosine" . . "f" . "[3H]CGS 21680" . "[3H]CGS 21680" . . "f" . "[3H]NECA" . "[3H]NECA" . . "f" . "metrifudil" . "metrifudil" . . "f" . "CPX" . "CPX" . . "f" . "KF 17837S" . "KF 17837S" . . "f" . "MRS1088" . "MRS1088" . . "f" . "[125I]ZM-241385" . "[125I]ZM-241385" . . "f" . "[3H]SCH 58261" . "[3H]SCH 58261" . . "f" . "[3H]XAC" . "[3H]XAC" . . "f" . "visnagin" . "visnagin" . . "f" . "AB-NECA" . "AB-NECA" . . "f" . "[125I]AB-MECA" . "[125I]AB-MECA" . . "f" . "[125I]APNEA" . "[125I]APNEA" . . "f" . "dexniguldipine" . "dexniguldipine" . . "f" . "MRE 3010F20" . "MRE 3010F20" . . "f" . "AS101" . "AS101" . . "f" . "AS16" . "AS16" . . "f" . "AS74" . "AS74" . . "f" . "AS94" . "AS94" . . "f" . "AS95" . "AS95" . . "f" . "AS96" . "AS96" . . "f" . "BW-A1433" . "BW-A1433" . . "f" . "DAX" . "DAX" . . "f" . "DEPX" . "DEPX" . . "f" . "I-ABOPX" . "I-ABOPX" . . "f" . "3-isobutyl-8-pyrrolidinoxanthine" . "3-isobutyl-8-pyrrolidinoxanthine" . . "f" . "MRS1220" . "MRS1220" . . "f" . "MRS1754" . "MRS1754" . . "f" . "OSIP339391" . "OSIP339391" . . "f" . "XCC" . "XCC" . . "f" . "[125I]ABOPX" . "[125I]ABOPX" . . "f" . "[3H]MRS1754" . "[3H]MRS1754" . . "f" . "[3H]OSIP339391" . "[3H]OSIP339391" . . "f" . "[3H]ZM 241385" . "[3H]ZM 241385" . . "f" . "alloxazine" . "alloxazine" . . "f" . "Cl-IB-MECA" . "Cl-IB-MECA" . . "f" . "I-ABA" . "I-ABA" . . "f" . "MRE 3008F20" . "MRE 3008F20" . . "f" . "MPC-MECA" . "MPC-MECA" . . "f" . "MRS1097" . "MRS1097" . . "f" . "MRS1177" . "MRS1177" . . "f" . "MRS1186" . "MRS1186" . . "f" . "MRS1191" . "MRS1191" . . "f" . "MRS1476" . "MRS1476" . . "f" . "MRS1486" . "MRS1486" . . "f" . "MRS1505" . "MRS1505" . . "f" . "MRS1523" . "MRS1523" . . "f" . "VUF8504" . "VUF8504" . . "f" . "VUF8507" . "VUF8507" . . "f" . "[3H]MRE 3008F20" . "[3H]MRE 3008F20" . . "t" . "(-)-adrenaline" . "(-)-adrenaline" . . "f" . "A61603" . "A61603" . . "f" . "NS-49" . "NS-49" . . "f" . "[125I]HEAT" . "[125I]HEAT" . . "t" . "methoxamine" . "methoxamine" . . "f" . "noradrenaline" . "noradrenaline" . . "f" . "WB 4101" . "WB 4101" . . "f" . "[125I]BE-2254" . "[125I]BE-2254" . . "f" . "L-citrulline" . "L-citrulline" . . "t" . "phenylephrine" . "phenylephrine" . . "f" . "(+)-cyclazosin" . "(+)-cyclazosin" . . "f" . "S(+)-niguldipine" . "S(+)-niguldipine" . . "t" . "tamsulosin" . "tamsulosin" . . "f" . "5-methylurapidil" . "5-methylurapidil" . . "f" . "A-119637" . "A-119637" . . "f" . "A-123189" . "A-123189" . . "t" . "silodosin" . "silodosin" . . "f" . "RS-17053" . "RS-17053" . . "f" . "upidosin" . "upidosin" . . "f" . "Ro-70-0004" . "Ro-70-0004" . . "f" . "SNAP5089" . "SNAP5089" . . "t" . "indoramin" . "indoramin" . . "t" . "phentolamine" . "phentolamine" . . "t" . "prazosin" . "prazosin" . . "t" . "(-)-noradrenaline" . "(-)-noradrenaline" . . "f" . "L-765314" . "L-765314" . . "f" . "rho-TIA" . "rho-TIA" . . "t" . "corbadrine" . "corbadrine" . . "f" . "(±)-adrenaline" . "(±)-adrenaline" . . "f" . "6-fluoro-noradrenaline" . "6-fluoro-noradrenaline" . . "f" . "SKF 89748" . "SKF 89748" . . "f" . "indanidine" . "indanidine" . . "f" . "St 587" . "St 587" . . "f" . "amidephrine" . "amidephrine" . . "f" . "cirazoline" . "cirazoline" . . "t" . "clonidine" . "clonidine" . . "t" . "xylometazoline" . "xylometazoline" . . "f" . "SKF 105854" . "SKF 105854" . . "t" . "brimonidine" . "brimonidine" . . "f" . "BRL 37344" . "BRL 37344" . . "f" . "amibegron" . "amibegron" . . "t" . "dexmedetomidine" . "dexmedetomidine" . . "t" . "guanfacine" . "guanfacine" . . "f" . "xylazine" . "xylazine" . . "f" . "ARC-239" . "ARC-239" . . "f" . "BRL 44408" . "BRL 44408" . . "f" . "RX821002" . "RX821002" . . "f" . "[3H]MK-912" . "[3H]MK-912" . . "f" . "[3H]RX821002" . "[3H]RX821002" . . "f" . "[3H](-)CGP 12177" . "[3H](-)CGP 12177" . . "f" . "CGP 12177" . "CGP 12177" . . "f" . "T-0509" . "T-0509" . . "f" . "denopamine" . "denopamine" . . "t" . "dobutamine" . "dobutamine" . . "t" . "isoprenaline" . "isoprenaline" . . "f" . "prenalterol" . "prenalterol" . . "f" . "xamoterol" . "xamoterol" . . "f" . "[125I](-)ICYP" . "[125I](-)ICYP" . . "f" . "CGP 20712A" . "CGP 20712A" . . "f" . "H87/07" . "H87/07" . . "f" . "ICI 118551" . "ICI 118551" . . "f" . "LK 204-545" . "LK 204-545" . . "f" . "NIHP" . "NIHP" . . "f" . "NIP" . "NIP" . . "f" . "SR59230A" . "SR59230A" . . "t" . "atenolol" . "atenolol" . . "t" . "betaxolol" . "betaxolol" . . "f" . "W54011" . "W54011" . . "f" . "PD 165929" . "PD 165929" . . "f" . "PD 168368" . "PD 168368" . . "f" . "kuwanon H" . "kuwanon H" . . "t" . "bupranolol" . "bupranolol" . . "t" . "carvedilol" . "carvedilol" . . "f" . "cicloprolol" . "cicloprolol" . . "t" . "metoprolol" . "metoprolol" . . "t" . "nadolol" . "nadolol" . . "f" . "apelin-36" . "apelin-36" . . "f" . "JMV594" . "JMV594" . . "f" . "Ac-GRP-(20-26)-methylester" . "Ac-GRP-(20-26)-methylester" . . "t" . "practolol" . "practolol" . . "t" . "ephedrine" . "ephedrine" . . "t" . "fenoterol" . "fenoterol" . . "t" . "salbutamol" . "salbutamol" . . "f" . "litorin" . "litorin" . . "f" . "L-glutamine" . "L-glutamine" . . "t" . "salmeterol" . "salmeterol" . . "t" . "terbutaline" . "terbutaline" . . "f" . "[125I]ICYP" . "[125I]ICYP" . . "t" . "alprenolol" . "alprenolol" . . "t" . "propranolol" . "propranolol" . . "t" . "timolol" . "timolol" . . "t" . "carazolol" . "carazolol" . . "t" . "levobunolol" . "levobunolol" . . "f" . "tertatolol" . "tertatolol" . . "f" . "N-methyl-Phe-Lys-Pro-D-Cha-Cha-D-Arg-CO2H" . "N-methyl-Phe-Lys-Pro-D-Cha-Cha-D-Arg-CO2H" . . "f" . "C5a" . "C5a" . . "f" . "C5a des-Arg" . "C5a des-Arg" . . "f" . "N-methyl-Phe-Lys-Pro-D-Cha-Trp-D-Arg-CO2H" . "N-methyl-Phe-Lys-Pro-D-Cha-Trp-D-Arg-CO2H" . . "f" . "L-156,602" . "L-156,602" . . "f" . "NDT9520492" . "NDT9520492" . . "f" . "PMX53" . "PMX53" . . "f" . "RPR121154" . "RPR121154" . . "f" . "angiotensin-(1-7)" . "angiotensin-(1-7)" . . "f" . "angiotensin I" . "angiotensin I" . . "f" . "angiotensin III" . "angiotensin III" . . "f" . "EXP3174" . "EXP3174" . . "t" . "candesartan" . "candesartan" . . "t" . "eprosartan" . "eprosartan" . . "t" . "irbesartan" . "irbesartan" . . "f" . "ranatensin" . "ranatensin" . . "t" . "losartan" . "losartan" . . "t" . "olmesartan" . "olmesartan" . . "t" . "telmisartan" . "telmisartan" . . "f" . "[3H]valsartan" . "[3H]valsartan" . . "f" . "[125I]CGP42112" . "[125I]CGP42112" . . "f" . "[p-aminoPhe6]ang II" . "[p-aminoPhe6]ang II" . . "f" . "PD123177" . "PD123177" . . "f" . "PD123319" . "PD123319" . . "f" . "saralasin" . "saralasin" . . "f" . "[Pyr1]apelin-13" . "[Pyr1]apelin-13" . . "f" . "[125I](Pyr1)apelin-13" . "[125I](Pyr1)apelin-13" . . "f" . "[125I][Nle75,Tyr77]apelin-36 (human)" . "[125I][Nle75,Tyr77]apelin-36 (human)" . . "f" . "apelin-13" . "apelin-13" . . "f" . "PSN632408" . "PSN632408" . . "t" . "chenodeoxycholic acid" . "chenodeoxycholic acid" . . "t" . "cholic acid" . "cholic acid" . . "t" . "deoxycholic acid" . "deoxycholic acid" . . "f" . "lithocholic acid" . "lithocholic acid" . . "f" . "gastrin-releasing peptide" . "gastrin-releasing peptide" . . "f" . "neuromedin B" . "neuromedin B" . . "f" . "[Phe13]bombesin" . "[Phe13]bombesin" . . "f" . "bombesin" . "bombesin" . . "f" . "L-lysine" . "L-lysine" . . "f" . "PD 176252" . "PD 176252" . . "f" . "[(3-Ph-Pr6), His7,D-Ala11,D-Pro13,ψ13-14),Phe14]bombesin-(6-14)" . "[(3-Ph-Pr6), His7,D-Ala11,D-Pro13,ψ13-14),Phe14]bombesin-(6-14)" . . "f" . "[125I][D-Tyr6]bombesin-(6-13)-methyl ester" . "[125I][D-Tyr6]bombesin-(6-13)-methyl ester" . . "f" . "[Leu14, ψ 13-14)]bombesin" . "[Leu14, ψ 13-14)]bombesin" . . "f" . "compound 21b [PMID: 12723954]" . "compound 21b [PMID: 12723954]" . . "f" . "[125I][D-Tyr6,β-Ala11,Phe13,Nle14]bombesin-(6-14)" . "[125I][D-Tyr6,β-Ala11,Phe13,Nle14]bombesin-(6-14)" . . "f" . "[D-Phe6,β-Ala11,Phe13,Nle14]bombesin-(6-14)" . "[D-Phe6,β-Ala11,Phe13,Nle14]bombesin-(6-14)" . . "f" . "[D-Tyr6,(R)-APA11,Phe13,Nle14]bombesin-(6-14)" . "[D-Tyr6,(R)-APA11,Phe13,Nle14]bombesin-(6-14)" . . "f" . "D-Nal-Cys-Tyr-D-Trp-Lys-Val-Cys-Nal-NH2" . "D-Nal-Cys-Tyr-D-Trp-Lys-Val-Cys-Nal-NH2" . . "f" . "D-Lys0-[des-Arg10]kallidin" . "D-Lys0-[des-Arg10]kallidin" . . "f" . "Met-Lys-bradykinin" . "Met-Lys-bradykinin" . . "f" . "T-kinin" . "T-kinin" . . "f" . "[D-Lys1,des-Arg10]kallidin" . "[D-Lys1,des-Arg10]kallidin" . . "f" . "[Leu8,des-Arg9]bradykinin" . "[Leu8,des-Arg9]bradykinin" . . "f" . "[Leu9,des-Arg10]kallidin" . "[Leu9,des-Arg10]kallidin" . . "f" . "[Sar,D-Phe8,des-Arg9]bradykinin" . "[Sar,D-Phe8,des-Arg9]bradykinin" . . "f" . "[des-Arg10]kallidin" . "[des-Arg10]kallidin" . . "f" . "[des-Arg11]T-kinin" . "[des-Arg11]T-kinin" . . "f" . "L-ornithine" . "L-ornithine" . . "f" . "[des-Arg9]bradykinin" . "[des-Arg9]bradykinin" . . "f" . "[des-Phe9,des-Arg10]kallidin" . "[des-Phe9,des-Arg10]kallidin" . . "f" . "[des-Pro8,des-Phe9,des-Arg10]kallidin" . "[des-Pro8,des-Phe9,des-Arg10]kallidin" . . "f" . "bradykinin" . "bradykinin" . . "f" . "kallidin" . "kallidin" . . "f" . "Ac-Lys-[MeAla6,Leu8,des-Arg9]bradykinin" . "Ac-Lys-[MeAla6,Leu8,des-Arg9]bradykinin" . . "f" . "B-9430" . "B-9430" . . "f" . "B-9858" . "B-9858" . . "f" . "B-9958" . "B-9958" . . "f" . "JMV1431" . "JMV1431" . . "f" . "NPC 17731" . "NPC 17731" . . "f" . "NPC 18565" . "NPC 18565" . . "f" . "NVP-SAA164" . "NVP-SAA164" . . "f" . "PS020990" . "PS020990" . . "f" . "SSR240612" . "SSR240612" . . "f" . "[des-Arg10]icatibant" . "[des-Arg10]icatibant" . . "f" . "chroman 28" . "chroman 28" . . "f" . "compound 11 [PMID: 12812482]" . "compound 11 [PMID: 12812482]" . . "f" . "compound 12 [PMID: 12723943]" . "compound 12 [PMID: 12723943]" . . "f" . "olcegepant" . "olcegepant" . . "f" . "L-serine" . "L-serine" . . "f" . "G15" . "G15" . . "t" . "icatibant" . "icatibant" . . "f" . "FR190997" . "FR190997" . . "f" . "FR191413" . "FR191413" . . "f" . "JMV1116" . "JMV1116" . . "f" . "[Tyr8]bradykinin" . "[Tyr8]bradykinin" . . "f" . "labradimil" . "labradimil" . . "f" . "FR167344" . "FR167344" . . "f" . "FR173657" . "FR173657" . . "f" . "NPC-349" . "NPC-349" . . "f" . "NPC-567" . "NPC-567" . . "f" . "WIN 64338" . "WIN 64338" . . "f" . "[Thi5,8,D-Phe7]bradykinin" . "[Thi5,8,D-Phe7]bradykinin" . . "f" . "anatibant" . "anatibant" . . "f" . "bradyzide" . "bradyzide" . . "f" . "α-CGRP" . "α-CGRP" . . "f" . "β-CGRP" . "β-CGRP" . . "f" . "L-arginine" . "L-arginine" . . "f" . "stearic acid" . "stearic acid" . . "f" . "adrenomedullin" . "adrenomedullin" . . "f" . "adrenomedullin 2/intermedin" . "adrenomedullin 2/intermedin" . . "t" . "calcitonin" . "calcitonin" . . "f" . "amylin" . "amylin" . . "f" . "amylin" . "amylin" . . "f" . "AC187" . "AC187" . . "f" . "CT-(8-32) (salmon)" . "CT-(8-32) (salmon)" . . "Tyr0α-CGRP (human)" . "Tyr0α-CGRP (human)" . . "f" . "[Cys(Et)2,7]α-CGRP (human)" . "[Cys(Et)2,7]α-CGRP (human)" . . "f" . "α-CGRP" . "α-CGRP" . . "f" . "β-CGRP" . "β-CGRP" . . "f" . "adrenomedullin" . "adrenomedullin" . . "f" . "[Cys(ACM)2,7]CGRP" . "[Cys(ACM)2,7]CGRP" . . "f" . "α-CGRP-(8-37) (human)" . "α-CGRP-(8-37) (human)" . . "f" . "α-CGRP-(8-37) (rat)" . "α-CGRP-(8-37) (rat)" . . "f" . "telcagepant" . "telcagepant" . . "f" . "AM-(11-50) (rat)" . "AM-(11-50) (rat)" . . "f" . "AM-(20-50) (rat)" . "AM-(20-50) (rat)" . . "f" . "AM-(22-52) (human)" . "AM-(22-52) (human)" . . "f" . "Ca2+" . "Ca2+" . . "f" . "Mg2+" . "Mg2+" . . "t" . "neomycin" . "neomycin" . . "f" . "spermine" . "spermine" . . "f" . "1-arylmethylpyrrolidin-2-yl ethanol amine" . "1-arylmethylpyrrolidin-2-yl ethanol amine" . . "f" . "compound (S)-3h [PMID: 15686947]" . "compound (S)-3h [PMID: 15686947]" . . "f" . "2-methyl-3-phenethyl-3H-pyrimidin-4-one" . "2-methyl-3-phenethyl-3H-pyrimidin-4-one" . . "f" . "calhex 231" . "calhex 231" . . "f" . "compound 17 [PMID: 15300839]" . "compound 17 [PMID: 15300839]" . . "f" . "NPS 2143" . "NPS 2143" . . "f" . "L-tryptophan" . "L-tryptophan" . . "f" . "tecalcet" . "tecalcet" . . "f" . "calindol" . "calindol" . . "f" . "L-alanine" . "L-alanine" . . "f" . "glycine" . "glycine" . . "f" . "2-arachidonoylglycerol" . "2-arachidonoylglycerol" . . "f" . "CP55940" . "CP55940" . . "f" . "HU-210" . "HU-210" . . "f" . "O-1812" . "O-1812" . . "f" . "WIN55212-2" . "WIN55212-2" . . "f" . "[3H]CP55940" . "[3H]CP55940" . . "f" . "[3H]HU-243" . "[3H]HU-243" . . "f" . "[3H]WIN55212-2" . "[3H]WIN55212-2" . . "f" . "arachidonyl-2-chloroethylamide" . "arachidonyl-2-chloroethylamide" . . "f" . "arachidonylcyclopropylamide" . "arachidonylcyclopropylamide" . . "f" . "cannabinol" . "cannabinol" . . "f" . "AM281" . "AM281" . . "f" . "LY320135" . "LY320135" . . "t" . "rimonabant" . "rimonabant" . . "f" . "[123I]AM251" . "[123I]AM251" . . "f" . "[3H]rimonabant" . "[3H]rimonabant" . . "f" . "onternabez" . "onternabez" . . "f" . "JWH-133" . "JWH-133" . . "f" . "L-759,633" . "L-759,633" . . "f" . "L-759,656" . "L-759,656" . . "f" . "AM-630" . "AM-630" . . "f" . "SR144528" . "SR144528" . . "f" . "BP-CCL3" . "BP-CCL3" . . "f" . "CCL14" . "CCL14" . . "f" . "CCL15" . "CCL15" . . "f" . "CCL23" . "CCL23" . . "f" . "CCL3" . "CCL3" . . "f" . "CCL4" . "CCL4" . . "f" . "CCL8" . "CCL8" . . "f" . "CCL5" . "CCL5" . . "f" . "CCL7" . "CCL7" . . "f" . "Flu-CCL3" . "Flu-CCL3" . . "f" . "[125I]CCL2 (human)" . "[125I]CCL2 (human)" . . "f" . "[125I]CCL3 (human)" . "[125I]CCL3 (human)" . . "f" . "[125I]CCL5 (human)" . "[125I]CCL5 (human)" . . "f" . "[125I]CCL7 (human)" . "[125I]CCL7 (human)" . . "f" . "[125I]CCL8 (human)" . "[125I]CCL8 (human)" . . "f" . "BX 471" . "BX 471" . . "f" . "viral macrophage inflammatory protein-II" . "viral macrophage inflammatory protein-II" . . "f" . "CCL11" . "CCL11" . . "f" . "CCL13" . "CCL13" . . "f" . "CCL2" . "CCL2" . . "f" . "vCCL4" . "vCCL4" . . "f" . "CCL24" . "CCL24" . . "f" . "CCL26" . "CCL26" . . "f" . "INCB3344" . "INCB3344" . . "f" . "MC148R" . "MC148R" . . "f" . "RS-102895" . "RS-102895" . . "f" . "RS-136270" . "RS-136270" . . "f" . "RS-504393" . "RS-504393" . . "f" . "SB-282241" . "SB-282241" . . "f" . "TAK-779" . "TAK-779" . . "f" . "Teijin-lead_cmp_5" . "Teijin-lead_cmp_5" . . "f" . "CCL11" . "CCL11" . . "f" . "mini-TyrRS" . "mini-TyrRS" . . "f" . "Met-Ckβ7" . "Met-Ckβ7" . . "f" . "RO116-4875/608" . "RO116-4875/608" . . "f" . "RO116-9132/238" . "RO116-9132/238" . . "f" . "RO320-2947/001" . "RO320-2947/001" . . "f" . "RO330-0802/001" . "RO330-0802/001" . . "f" . "YM-355179" . "YM-355179" . . "f" . "[125I]CCL11 (human)" . "[125I]CCL11 (human)" . . "f" . "banyu (I)" . "banyu (I)" . . "f" . "CCL17" . "CCL17" . . "f" . "CCL22" . "CCL22" . . "f" . "[125I]CCL4 (human)" . "[125I]CCL4 (human)" . . "f" . "TAK-220" . "TAK-220" . . "f" . "cenicriviroc" . "cenicriviroc" . . "f" . "[3H]ancriviroc" . "[3H]ancriviroc" . . "f" . "[3H]maraviroc" . "[3H]maraviroc" . . "f" . "ancriviroc" . "ancriviroc" . . "f" . "aplaviroc" . "aplaviroc" . . "t" . "maraviroc" . "maraviroc" . . "f" . "vicriviroc" . "vicriviroc" . . "f" . "CCL20" . "CCL20" . . "f" . "CCL19" . "CCL19" . . "f" . "CXCL1" . "CXCL1" . . "f" . "CXCL11" . "CXCL11" . . "f" . "CCL21" . "CCL21" . . "f" . "CCL1" . "CCL1" . . "f" . "ZK 756326" . "ZK 756326" . . "f" . "[125I]CCL1 (human)" . "[125I]CCL1 (human)" . . "f" . "vMIP-I" . "vMIP-I" . . "f" . "vMCC-I" . "vMCC-I" . . "f" . "CCL25" . "CCL25" . . "f" . "[125I]mini-TyrRS" . "[125I]mini-TyrRS" . . "f" . "CXCL1" . "CXCL1" . . "f" . "CXCL6" . "CXCL6" . . "f" . "CXCL8" . "CXCL8" . . "f" . "[125I]CXCL8 (human)" . "[125I]CXCL8 (human)" . . "f" . "CXCL2" . "CXCL2" . . "f" . "CXCL3" . "CXCL3" . . "f" . "CXCL5" . "CXCL5" . . "f" . "CXCL7" . "CXCL7" . . "f" . "[125I]KC-Tyr" . "[125I]KC-Tyr" . . "f" . "SB 225002" . "SB 225002" . . "f" . "NSC 157449" . "NSC 157449" . . "f" . "CXCL10" . "CXCL10" . . "f" . "[125I]CXCL12α (human)" . "[125I]CXCL12α (human)" . . "f" . "[125I]CXCL12β (human)" . "[125I]CXCL12β (human)" . . "f" . "CXCL9" . "CXCL9" . . "f" . "NBI-74330" . "NBI-74330" . . "f" . "dioscin" . "dioscin" . . "f" . "duramycin" . "duramycin" . . "f" . "hypoglaucin A" . "hypoglaucin A" . . "f" . "kallstroemin D" . "kallstroemin D" . . "t" . "plerixafor" . "plerixafor" . . "f" . "CXCL12β" . "CXCL12β" . . "f" . "CXCL12-(1-17)" . "CXCL12-(1-17)" . . "f" . "CXCL12-(1-9)" . "CXCL12-(1-9)" . . "f" . "CXCL12-(1-9) dimer" . "CXCL12-(1-9) dimer" . . "f" . "SDF-1, 1-9[P2G] dimer" . "SDF-1, 1-9[P2G] dimer" . . "T134" . "T134" . . "f" . "T140" . "T140" . . "T22" . "T22" . . "f" . "CXCL16" . "CXCL16" . . "f" . "CX3CL1" . "CX3CL1" . . "f" . "[125I]XCL1 (human)" . "[125I]XCL1 (human)" . . "f" . "A-71623" . "A-71623" . . "f" . "ARL-15849" . "ARL-15849" . . "f" . "CCK-33" . "CCK-33" . . "f" . "CCK-4" . "CCK-4" . . "f" . "CCK-8" . "CCK-8" . . "f" . "GW-5823" . "GW-5823" . . "f" . "Glaxo-11p" . "Glaxo-11p" . . "f" . "PD136450" . "PD136450" . . "f" . "SR146131" . "SR146131" . . "t" . "pentagastrin" . "pentagastrin" . . "t" . "rebamipide" . "rebamipide" . . "f" . "CI-1015" . "CI-1015" . . "f" . "CI-988" . "CI-988" . . "f" . "pranazepide" . "pranazepide" . . "f" . "IQM-97423" . "IQM-97423" . . "f" . "JNJ-17156516" . "JNJ-17156516" . . "f" . "devazepide" . "devazepide" . . "f" . "L-365260" . "L-365260" . . "f" . "L-736380" . "L-736380" . . "f" . "L-740093" . "L-740093" . . "f" . "PD-135158" . "PD-135158" . . "f" . "T-0632" . "T-0632" . . "f" . "TP-680" . "TP-680" . . "f" . "VL-0395" . "VL-0395" . . "f" . "YF-476" . "YF-476" . . "f" . "YM-022" . "YM-022" . . "f" . "dexloxiglumide" . "dexloxiglumide" . . "f" . "lintitript" . "lintitript" . . "f" . "lorglumide" . "lorglumide" . . "f" . "loxiglumide" . "loxiglumide" . . "f" . "proglumide" . "proglumide" . . "f" . "A-71378" . "A-71378" . . "f" . "BBL-454" . "BBL-454" . . "f" . "BC-254" . "BC-254" . . "f" . "BC-264" . "BC-264" . . "f" . "JMV310" . "JMV310" . . "f" . "[3H]PBC-264" . "[3H]PBC-264" . . "f" . "RB-400" . "RB-400" . . "f" . "AG-041R" . "AG-041R" . . "f" . "LY-288513" . "LY-288513" . . "f" . "PD-135666" . "PD-135666" . . "f" . "PD-140548" . "PD-140548" . . "f" . "PD-149164" . "PD-149164" . . "f" . "RP-69758" . "RP-69758" . . "f" . "Z-360" . "Z-360" . . "f" . "[3H]JB-93182" . "[3H]JB-93182" . . "f" . "itriglumide" . "itriglumide" . . "f" . "tetronothiodin" . "tetronothiodin" . . "f" . "sphingosine 1-phosphate" . "sphingosine 1-phosphate" . . "f" . "corticotrophin-releasing hormone" . "corticotrophin-releasing hormone" . . "f" . "corticotropin-releasing factor" . "corticotropin-releasing factor" . . "f" . "[125I]CRF (ovine)" . "[125I]CRF (ovine)" . . "f" . "[125I]sauvagine (frog)" . "[125I]sauvagine (frog)" . . "f" . "[125I]urocortin 1 (mouse, rat)" . "[125I]urocortin 1 (mouse, rat)" . . "f" . "sauvagine" . "sauvagine" . . "f" . "urocortin 1" . "urocortin 1" . . "f" . "urocortin 1" . "urocortin 1" . . "f" . "urocortin 2" . "urocortin 2" . . "f" . "urotensin 1 (fish)" . "urotensin 1 (fish)" . . "f" . "α-helical CRF" . "α-helical CRF" . . "f" . "[125I]astressin" . "[125I]astressin" . . "f" . "astressin" . "astressin" . . "f" . "urocortin 2" . "urocortin 2" . . "f" . "urocortin 3" . "urocortin 3" . . "f" . "urocortin 3" . "urocortin 3" . . "f" . "[125I]antisauvagine" . "[125I]antisauvagine" . . "f" . "(+)-sulpiride" . "(+)-sulpiride" . . "f" . "(+)-SKF-82526" . "(+)-SKF-82526" . . "f" . "N-propylnorapomorphine" . "N-propylnorapomorphine" . . "f" . "SKF-38393" . "SKF-38393" . . "f" . "SKF-75670" . "SKF-75670" . . "f" . "SKF-76783" . "SKF-76783" . . "f" . "SKF-81297" . "SKF-81297" . . "t" . "fenoldopam" . "fenoldopam" . . "t" . "dopamine" . "dopamine" . . "t" . "rotigotine" . "rotigotine" . . "f" . "SCH-23390" . "SCH-23390" . . "f" . "[3H]nemonapride" . "[3H]nemonapride" . . "f" . "SKF-83566" . "SKF-83566" . . "f" . "[125I]SCH23982" . "[125I]SCH23982" . . "f" . "[3H]SCH-23390" . "[3H]SCH-23390" . . "t" . "flupentixol" . "flupentixol" . . "f" . "7-OH-DPAT" . "7-OH-DPAT" . . "f" . "7-trans-OH-PIPAT" . "7-trans-OH-PIPAT" . . "f" . "PD 128907" . "PD 128907" . . "t" . "pramipexole" . "pramipexole" . . "f" . "quinelorane" . "quinelorane" . . "f" . "(+)-S-14297" . "(+)-S-14297" . . "f" . "(+)-SCH-23390" . "(+)-SCH-23390" . . "f" . "(+)-UH232" . "(+)-UH232" . . "t" . "(-)-sulpiride" . "(-)-sulpiride" . . "f" . "BQ788" . "BQ788" . . "t" . "amisulpride" . "amisulpride" . . "t" . "domperidone" . "domperidone" . . "f" . "eticlopride" . "eticlopride" . . "f" . "trans-flupenthixol" . "trans-flupenthixol" . . "f" . "(-)-N-porphynorapomorphine" . "(-)-N-porphynorapomorphine" . . "f" . "(+)-AJ76" . "(+)-AJ76" . . "f" . "CP-226269" . "CP-226269" . . "f" . "FAUC213" . "FAUC213" . . "f" . "PD168,077" . "PD168,077" . . "f" . "CP-293019" . "CP-293019" . . "f" . "L-750,667" . "L-750,667" . . "f" . "NGD 94-1" . "NGD 94-1" . . "f" . "sonepiprazole" . "sonepiprazole" . . "f" . "RBI257" . "RBI257" . . "f" . "Ro 10-4548" . "Ro 10-4548" . . "f" . "nemonapride" . "nemonapride" . . "f" . "(-)-SKF-82526" . "(-)-SKF-82526" . . "beta-ergocriptine" . "beta-ergocriptine" . . "f" . "endothelin-1" . "endothelin-1" . . "f" . "endothelin-2" . "endothelin-2" . . "f" . "[125I]ET-1 (human, mouse, rat)" . "[125I]ET-1 (human, mouse, rat)" . . "f" . "[125I]ET-2 (human)" . "[125I]ET-2 (human)" . . "f" . "[125I]sarafotoxin S6b" . "[125I]sarafotoxin S6b" . . "f" . "[18F]ET-1 (human, mouse, rat)" . "[18F]ET-1 (human, mouse, rat)" . . "f" . "sarafotoxin S6b" . "sarafotoxin S6b" . . "f" . "BQ123" . "BQ123" . . "f" . "FR139317" . "FR139317" . . "f" . "PD-156707" . "PD-156707" . . "f" . "SB234551" . "SB234551" . . "f" . "[125I]PD151242" . "[125I]PD151242" . . "f" . "[125I]PD164333" . "[125I]PD164333" . . "f" . "[3H]BQ123" . "[3H]BQ123" . . "f" . "endothelin-3" . "endothelin-3" . . "f" . "[125I]BQ3020" . "[125I]BQ3020" . . "f" . "[125I]IRL1620" . "[125I]IRL1620" . . "f" . "sarafotoxin S6c" . "sarafotoxin S6c" . . "f" . "A192621" . "A192621" . . "f" . "Ro 46-8443" . "Ro 46-8443" . . "f" . "[3H]17β-estradiol" . "[3H]17β-estradiol" . . "t" . "17β-estradiol" . "17β-estradiol" . . "f" . "G-1" . "G-1" . . "t" . "fulvestrant" . "fulvestrant" . . "t" . "tamoxifen" . "tamoxifen" . . "f" . "[125I]cathepsin G (human)" . "[125I]cathepsin G (human)" . . "f" . "[3H]fMet-Leu-Phe" . "[3H]fMet-Leu-Phe" . . "f" . "fMet-Ile-Phe-Leu" . "fMet-Ile-Phe-Leu" . . "f" . "fMet-Leu-Phe" . "fMet-Leu-Phe" . . "f" . "fMet-Met-Tyr-Ala-Leu-Phe" . "fMet-Met-Tyr-Ala-Leu-Phe" . . "t" . "cyclosporin A" . "cyclosporin A" . . "f" . "cyclosporin H" . "cyclosporin H" . . "f" . "spinorphin" . "spinorphin" . . "f" . "[125I]CHIPS" . "[125I]CHIPS" . . "f" . "i-Boc-Met-Leu-Phe" . "i-Boc-Met-Leu-Phe" . . "f" . "t-Boc-Met-Leu-Phe" . "t-Boc-Met-Leu-Phe" . . "f" . "t-Boc-FLFLF" . "t-Boc-FLFLF" . . "f" . "annexin I" . "annexin I" . . "f" . "LXA4" . "LXA4" . . "f" . "quin-C7" . "quin-C7" . . "f" . "WRWWWW" . "WRWWWW" . . "f" . "isopropylureido-FLFLF" . "isopropylureido-FLFLF" . . "f" . "PBP10" . "PBP10" . . "f" . "annexin I-(2-26)" . "annexin I-(2-26)" . . "f" . "F2L-[125I]Tyr" . "F2L-[125I]Tyr" . . "f" . "Hp(2-20)" . "Hp(2-20)" . . "f" . "humanin" . "humanin" . . "f" . "WKYMVm" . "WKYMVm" . . "f" . "α-linolenic acid" . "α-linolenic acid" . . "f" . "GW9508" . "GW9508" . . "f" . "docosahexaenoic acid" . "docosahexaenoic acid" . . "f" . "linoleic acid" . "linoleic acid" . . "f" . "medica 16" . "medica 16" . . "f" . "oleic acid" . "oleic acid" . . "f" . "palmitic acid" . "palmitic acid" . . "t" . "rosiglitazone" . "rosiglitazone" . . "f" . "GW1100" . "GW1100" . . "f" . "acetic acid" . "acetic acid" . . "f" . "butyric acid" . "butyric acid" . . "f" . "isobutyric acid" . "isobutyric acid" . . "f" . "pentanoic acid" . "pentanoic acid" . . "f" . "propanoic acid" . "propanoic acid" . . "f" . "[D-Arg1,D-Phe5,D-Trp7,9,Leu11]substance P" . "[D-Arg1,D-Phe5,D-Trp7,9,Leu11]substance P" . . "f" . "norrin" . "norrin" . . "f" . "(-)-baclofen" . "(-)-baclofen" . . "f" . "diadenosine diphosphate" . "diadenosine diphosphate" . . "f" . "CGP 47656" . "CGP 47656" . . "f" . "GABA" . "GABA" . . "f" . "2-hydroxy-saclofen" . "2-hydroxy-saclofen" . . "f" . "CGP 35348" . "CGP 35348" . . "f" . "CGP 54626A" . "CGP 54626A" . . "f" . "CGP 56999A" . "CGP 56999A" . . "f" . "CGP 62349" . "CGP 62349" . . "f" . "CGP 64213" . "CGP 64213" . . "f" . "CGP 71872" . "CGP 71872" . . "f" . "SCH 50911" . "SCH 50911" . . "f" . "[125I]CGP 64213" . "[125I]CGP 64213" . . "f" . "[125I]CGP 71872" . "[125I]CGP 71872" . . "f" . "saclofen" . "saclofen" . . "f" . "CGP7930" . "CGP7930" . . "f" . "3-APMPA" . "3-APMPA" . . "f" . "3-APPA" . "3-APPA" . . "f" . "CGP 44532" . "CGP 44532" . . "f" . "GHRH-(1-29)-NH2 (human)" . "GHRH-(1-29)-NH2 (human)" . . "t" . "baclofen" . "baclofen" . . "f" . "CGP 36742" . "CGP 36742" . . "f" . "CGP 46381" . "CGP 46381" . . "f" . "CGP 55845" . "CGP 55845" . . "f" . "[3H]CGP 54626" . "[3H]CGP 54626" . . "f" . "phaclofen" . "phaclofen" . . "t" . "pralmorelin" . "pralmorelin" . . "f" . "GHRP-6" . "GHRP-6" . . "f" . "[125I][His9]ghrelin (human)" . "[125I][His9]ghrelin (human)" . . "f" . "[125I]Tyr-Ala-hexarelin" . "[125I]Tyr-Ala-hexarelin" . . "f" . "[125I][Tyr4]ghrelin (human)" . "[125I][Tyr4]ghrelin (human)" . . "f" . "[35S]ibutamoren" . "[35S]ibutamoren" . . "f" . "[des-octanoyl]ghrelin" . "[des-octanoyl]ghrelin" . . "f" . "ghrelin" . "ghrelin" . . "f" . "examorelin" . "examorelin" . . "f" . "BIM 28163" . "BIM 28163" . . "f" . "[125I]GLP-1-(7-36)-amide" . "[125I]GLP-1-(7-36)-amide" . . "f" . "GHRH-(1-29)-NH2 (rat)" . "GHRH-(1-29)-NH2 (rat)" . . "f" . "GHRH-(1-29)-OH (human)" . "GHRH-(1-29)-OH (human)" . . "f" . "JV-1-10" . "JV-1-10" . . "f" . "JV-1-36" . "JV-1-36" . . "f" . "JV-1-38" . "JV-1-38" . . "f" . "JV-1-39" . "JV-1-39" . . "f" . "JV-1-40" . "JV-1-40" . . "f" . "JV-1-41" . "JV-1-41" . . "f" . "JV-1-43" . "JV-1-43" . . "f" . "JV-1-62" . "JV-1-62" . . "f" . "JV-1-63" . "JV-1-63" . . "f" . "MZ-4-169" . "MZ-4-169" . . "f" . "MZ-4-181" . "MZ-4-181" . . "f" . "MZ-4-243" . "MZ-4-243" . . "f" . "MZ-4-71" . "MZ-4-71" . . "f" . "MZ-5-156" . "MZ-5-156" . . "f" . "MZ-5-192" . "MZ-5-192" . . "f" . "MZ-5-78" . "MZ-5-78" . . "f" . "[Ac-Tyr1, D-Arg2]GHRH-(1-29)-NH2 (human)" . "[Ac-Tyr1, D-Arg2]GHRH-(1-29)-NH2 (human)" . . "f" . "gastric inhibitory polypeptide" . "gastric inhibitory polypeptide" . . "f" . "GIP-(10-30)" . "GIP-(10-30)" . . "f" . "GIP-(6-30)-amide" . "GIP-(6-30)-amide" . . "f" . "GIP-(7-30)" . "GIP-(7-30)" . . "f" . "[125I]GIP (human)" . "[125I]GIP (human)" . . "f" . "glucagon-like peptide 1-(7-36) amide" . "glucagon-like peptide 1-(7-36) amide" . . "t" . "liraglutide" . "liraglutide" . . "t" . "exendin-4" . "exendin-4" . . "t" . "glucagon" . "glucagon" . . "f" . "[125I]exendin-(9-39)" . "[125I]exendin-(9-39)" . . "f" . "exendin-(9-39)" . "exendin-(9-39)" . . "f" . "GLP-2-(1-29) (rat)" . "GLP-2-(1-29) (rat)" . . "f" . "glucagon-like peptide 2" . "glucagon-like peptide 2" . . "f" . "glucagon-like peptide 2" . "glucagon-like peptide 2" . . "f" . "glucagon-like peptide 2-(2-33)" . "glucagon-like peptide 2-(2-33)" . . "f" . "glucagon-like peptide 2-(3-33)" . "glucagon-like peptide 2-(3-33)" . . "f" . "5-(N,N-hexamethylene)-amiloride" . "5-(N,N-hexamethylene)-amiloride" . . "f" . "glucagon-like peptide 2-(3-33)" . "glucagon-like peptide 2-(3-33)" . . "[Tyr34]GLP-2 (human)" . "[Tyr34]GLP-2 (human)" . . "f" . "glucagon-(1-21)" . "glucagon-(1-21)" . . "f" . "glucagon-(1-6)" . "glucagon-(1-6)" . . "f" . "hGCGR antagonist" . "hGCGR antagonist" . . "f" . "des-His1-[Glu9]glucagon-NH2" . "des-His1-[Glu9]glucagon-NH2" . . "f" . "des-His1-[Leu4-Glu9]glucagon-NH2" . "des-His1-[Leu4-Glu9]glucagon-NH2" . . "f" . "VIP" . "VIP" . . "f" . "[125I]secretin (pig)" . "[125I]secretin (pig)" . . "f" . "[Bpa6,Tyr10]secretin-27 (rat)" . "[Bpa6,Tyr10]secretin-27 (rat)" . . "f" . "secretin" . "secretin" . . "f" . "secretin-(5-27) (pig)" . "secretin-(5-27) (pig)" . . "t" . "FSH" . "FSH" . . "f" . "FSH deglycosylated α/β" . "FSH deglycosylated α/β" . . "t" . "LH" . "LH" . . "f" . "hCG" . "hCG" . . "f" . "GnRH I" . "GnRH I" . . "f" . "GnRH II" . "GnRH II" . . "f" . "[125I][Tyr5,DAla6,NMeLeu7,Pro9-NEt]GnRH" . "[125I][Tyr5,DAla6,NMeLeu7,Pro9-NEt]GnRH" . . "f" . "[125I][des-Gly10,D-Ala6]GnRH N-ethylamide" . "[125I][des-Gly10,D-Ala6]GnRH N-ethylamide" . . "f" . "[125I]buserelin" . "[125I]buserelin" . . "f" . "[125I]triptorelin" . "[125I]triptorelin" . . "f" . "[Gln8]GnRH" . "[Gln8]GnRH" . . "f" . "[His5,D-Tyr6]GnRH" . "[His5,D-Tyr6]GnRH" . . "f" . "[Ser8]GnRH" . "[Ser8]GnRH" . . "f" . "[Trp8]GnRH" . "[Trp8]GnRH" . . "f" . "[Tyr8]GnRH" . "[Tyr8]GnRH" . . "f" . "[des-Gly10,D-Ala6]GnRH N-ethylamide" . "[des-Gly10,D-Ala6]GnRH N-ethylamide" . . "t" . "leuprolide" . "leuprolide" . . "f" . "2-(2-thiazolyl)ethanamine" . "2-(2-thiazolyl)ethanamine" . . "f" . "2-(3-bromophenyl)histamine" . "2-(3-bromophenyl)histamine" . . "f" . "2-(3-chlorophenyl)histamine" . "2-(3-chlorophenyl)histamine" . . "f" . "2-(3-iodophenyl)histamine" . "2-(3-iodophenyl)histamine" . . "t" . "triptorelin" . "triptorelin" . . "f" . "NBI-42902" . "NBI-42902" . . "f" . "CMPD-1" . "CMPD-1" . . "f" . "D-23487" . "D-23487" . . "f" . "D-24710" . "D-24710" . . "FD-1" . "FD-1" . . "f" . "T-98475" . "T-98475" . . "f" . "sufugolix" . "sufugolix" . . "f" . "[125I]cetrorelix" . "[125I]cetrorelix" . . "f" . "[3H]NBI-49202" . "[3H]NBI-49202" . . "t" . "abarelix" . "abarelix" . . "f" . "antarelix" . "antarelix" . . "t" . "cetrorelix" . "cetrorelix" . . "f" . "cyclorelix" . "cyclorelix" . . "f" . "2-pyridylethylamine" . "2-pyridylethylamine" . . "f" . "UR-PG131A" . "UR-PG131A" . . "f" . "oxo-arpromidine" . "oxo-arpromidine" . . "f" . "UR-PG146" . "UR-PG146" . . "f" . "UR-PG153" . "UR-PG153" . . "f" . "UR-PG55B" . "UR-PG55B" . . "f" . "dimethylhistaprodifen" . "dimethylhistaprodifen" . . "f" . "histamine" . "histamine" . . "f" . "methylhistaprodifen" . "methylhistaprodifen" . . "f" . "(±)-cis-H2-PAT" . "(±)-cis-H2-PAT" . . "f" . "(±)-trans-H2-PAT" . "(±)-trans-H2-PAT" . . "f" . "(+)-cis-H2-PAT" . "(+)-cis-H2-PAT" . . "f" . "(+)-trans-H2-PAT" . "(+)-trans-H2-PAT" . . "f" . "(+)-chlorpheniramine" . "(+)-chlorpheniramine" . . "f" . "(-)-trans-H2-PAT" . "(-)-trans-H2-PAT" . . "f" . "(-)-chlorpheniramine" . "(-)-chlorpheniramine" . . "t" . "(R)-cetirizine" . "(R)-cetirizine" . . "f" . "(S)-cetirizine" . "(S)-cetirizine" . . "f" . "A-317920" . "A-317920" . . "f" . "A-349821" . "A-349821" . . "f" . "ABT-239" . "ABT-239" . . "f" . "BU-E 47" . "BU-E 47" . . "f" . "[3H]pyrilamine" . "[3H]pyrilamine" . . "f" . "arpromidine" . "arpromidine" . . "t" . "cetirizine" . "cetirizine" . . "f" . "clobenpropit" . "clobenpropit" . . "t" . "diphenhydramine" . "diphenhydramine" . . "f" . "iodoaminopotentidine" . "iodoaminopotentidine" . . "f" . "metiamide" . "metiamide" . . "f" . "SNAP-7941" . "SNAP-7941" . . "f" . "T-226296" . "T-226296" . . "t" . "doxepin" . "doxepin" . . "f" . "impromidine" . "impromidine" . . "t" . "mepyramine" . "mepyramine" . . "t" . "triprolidine" . "triprolidine" . . "f" . "burimamide" . "burimamide" . . "f" . "[125I]iodoaminopotentidine" . "[125I]iodoaminopotentidine" . . "t" . "cimetidine" . "cimetidine" . . "f" . "CHPG" . "CHPG" . . "t" . "ranitidine" . "ranitidine" . . "f" . "tiotidine" . "tiotidine" . . "f" . "(R)-α-methylhistamine" . "(R)-α-methylhistamine" . . "f" . "[3H](R)-α-methylhistamine" . "[3H](R)-α-methylhistamine" . . "f" . "(S)-α-methylhistamine" . "(S)-α-methylhistamine" . . "f" . "N-α-methylhistamine" . "N-α-methylhistamine" . . "f" . "N-[3H]α-methylhistamine" . "N-[3H]α-methylhistamine" . . "f" . "N-[3H]methylhistamine" . "N-[3H]methylhistamine" . . "f" . "N-methylhistamine" . "N-methylhistamine" . . "f" . "GR 175737" . "GR 175737" . . "f" . "cipralisant" . "cipralisant" . . "f" . "VUF 5207" . "VUF 5207" . . "f" . "VUF 8328" . "VUF 8328" . . "f" . "[3H]histamine" . "[3H]histamine" . . "f" . "dimaprit" . "dimaprit" . . "f" . "imbutamine" . "imbutamine" . . "f" . "imetit" . "imetit" . . "f" . "SB-568849" . "SB-568849" . . "f" . "immepip" . "immepip" . . "f" . "impentamine" . "impentamine" . . "f" . "iodoproxyfan" . "iodoproxyfan" . . "f" . "methimepip" . "methimepip" . . "f" . "proxyfan" . "proxyfan" . . "f" . "JNJ-5207852" . "JNJ-5207852" . . "f" . "UCL-2138" . "UCL-2138" . . "f" . "A-304121" . "A-304121" . . "f" . "FUB 349" . "FUB 349" . . "f" . "GT2394" . "GT2394" . . "f" . "JB 98064" . "JB 98064" . . "f" . "VUF 4904" . "VUF 4904" . . "f" . "[123I]iodoproxyfan" . "[123I]iodoproxyfan" . . "f" . "ciproxifan" . "ciproxifan" . . "f" . "iodophenpropit" . "iodophenpropit" . . "f" . "thioperamide" . "thioperamide" . . "f" . "2-methylhistamine" . "2-methylhistamine" . . "f" . "4-methylhistamine" . "4-methylhistamine" . . "f" . "N,N-dimethylhistamine" . "N,N-dimethylhistamine" . . "f" . "N-ethylhistamine" . "N-ethylhistamine" . . "f" . "CCL16" . "CCL16" . . "f" . "HTMT" . "HTMT" . . "f" . "VUF 8430" . "VUF 8430" . . "f" . "[125I]CCL16 (human)" . "[125I]CCL16 (human)" . . "f" . "improgan" . "improgan" . . "f" . "JNJ-10191584" . "JNJ-10191584" . . "f" . "JNJ 7777120" . "JNJ 7777120" . . "f" . "[3H]JNJ 7777120" . "[3H]JNJ 7777120" . . "f" . "[125I]Tyr45-kisspeptin-15" . "[125I]Tyr45-kisspeptin-15" . . "f" . "[125I]kisspeptin-54 (human)" . "[125I]kisspeptin-54 (human)" . . "f" . "kisspeptin-10" . "kisspeptin-10" . . "f" . "kisspeptin-13" . "kisspeptin-13" . . "f" . "kisspeptin-14" . "kisspeptin-14" . . "f" . "kisspeptin-15" . "kisspeptin-15" . . "f" . "kisspeptin-28" . "kisspeptin-28" . . "f" . "kisspeptin-54" . "kisspeptin-54" . . "f" . "kisspeptin-9" . "kisspeptin-9" . . "f" . "Ac-hMCH-(6-16)-NH2" . "Ac-hMCH-(6-16)-NH2" . . "f" . "C3" . "C3" . . "f" . "compound 2 [PMID: 11375253]" . "compound 2 [PMID: 11375253]" . . "f" . "MCH6-17" . "MCH6-17" . . "f" . "S36077" . "S36077" . . "f" . "[125I]MCH (human, mouse, rat)" . "[125I]MCH (human, mouse, rat)" . . "f" . "[Phe13,Tyr19]MCH" . "[Phe13,Tyr19]MCH" . . "f" . "melanin-concentrating hormone" . "melanin-concentrating hormone" . . "f" . "p-guanidinobenzoyl-MCH-(7-17)" . "p-guanidinobenzoyl-MCH-(7-17)" . . "f" . "MCH (salmon)" . "MCH (salmon)" . . "f" . "variant MCH" . "variant MCH" . . "f" . "7-fluorochromone-2-carboxamide" . "7-fluorochromone-2-carboxamide" . . "f" . "ATC0065" . "ATC0065" . . "f" . "ATC0175" . "ATC0175" . . "f" . "compound 17 [PMID: 17125263]" . "compound 17 [PMID: 17125263]" . . "f" . "[Ava9,10,Ava14,15]-Ac-hMCH6-16-NH2" . "[Ava9,10,Ava14,15]-Ac-hMCH6-16-NH2" . . "f" . "S36541" . "S36541" . . "f" . "TPI 1361-17" . "TPI 1361-17" . . "f" . "[125I](3-iodo-Tyr13)-MCH" . "[125I](3-iodo-Tyr13)-MCH" . . "f" . "[125I]S36057" . "[125I]S36057" . . "f" . "[3H]SNAP-7941" . "[3H]SNAP-7941" . . "f" . "tetralin_urea analogue (7o)" . "tetralin_urea analogue (7o)" . . "f" . "α-MSH" . "α-MSH" . . "f" . "HS014" . "HS014" . . "f" . "MS05" . "MS05" . . "f" . "MT-II" . "MT-II" . . "t" . "afamelanotide" . "afamelanotide" . . "f" . "SHU9119" . "SHU9119" . . "f" . "ASIP [90-132 (L89Y)]" . "ASIP [90-132 (L89Y)]" . . "f" . "HS024" . "HS024" . . "f" . "agouti" . "agouti" . . "f" . "ACTH-(1-24)" . "ACTH-(1-24)" . . "f" . "ACTH-(11-24)" . "ACTH-(11-24)" . . "f" . "γ-MSH" . "γ-MSH" . . "f" . "[D-Trp8]γ-MSH" . "[D-Trp8]γ-MSH" . . "f" . "agouti-related protein" . "agouti-related protein" . . "f" . "RY764" . "RY764" . . "f" . "THIQ" . "THIQ" . . "f" . "MBP10" . "MBP10" . . "f" . "MCL0129" . "MCL0129" . . "f" . "PG-901" . "PG-901" . . "f" . "(S)-4CPG" . "(S)-4CPG" . . "f" . "Ac-c[Cys-Glu-His-D-Phe-Arg-Trp-D-Cys]-Pro-Pro-Lys-Asp-NH2" . "Ac-c[Cys-Glu-His-D-Phe-Arg-Trp-D-Cys]-Pro-Pro-Lys-Asp-NH2" . . "f" . "2-iodo-melatonin" . "2-iodo-melatonin" . . "f" . "2-[125I]melatonin" . "2-[125I]melatonin" . . "f" . "5-HEAT" . "5-HEAT" . . "f" . "6-Cl-MLT" . "6-Cl-MLT" . . "f" . "6-hydroxymelatonin" . "6-hydroxymelatonin" . . "f" . "GR 128107" . "GR 128107" . . "f" . "GR 196429" . "GR 196429" . . "f" . "IIK7" . "IIK7" . . "f" . "LY 156735" . "LY 156735" . . "f" . "S24014" . "S24014" . . "f" . "S24773" . "S24773" . . "f" . "S26284" . "S26284" . . "t" . "ramelteon" . "ramelteon" . . "f" . "[3H]melatonin" . "[3H]melatonin" . . "f" . "4P-PDOT" . "4P-PDOT" . . "f" . "K185" . "K185" . . "f" . "S20928" . "S20928" . . "f" . "S22153" . "S22153" . . "f" . "S26131" . "S26131" . . "f" . "luzindole" . "luzindole" . . "f" . "5-methoxy-luzindole" . "5-methoxy-luzindole" . . "f" . "(1S,3R)-ACPD" . "(1S,3R)-ACPD" . . "f" . "(S)-3HPG" . "(S)-3HPG" . . "f" . "3,5-DHPG" . "3,5-DHPG" . . "f" . "L-CCG-I" . "L-CCG-I" . . "f" . "5-MPEP" . "5-MPEP" . . "f" . "L-glutamic acid" . "L-glutamic acid" . . "f" . "[3H]quisqualate" . "[3H]quisqualate" . . "f" . "ibotenic acid" . "ibotenic acid" . . "f" . "quisqualate" . "quisqualate" . . "f" . "(+)-MCPG" . "(+)-MCPG" . . "f" . "(S)-4C3HPG" . "(S)-4C3HPG" . . "f" . "AIDA" . "AIDA" . . "f" . "DCG-IV" . "DCG-IV" . . "f" . "LY341495" . "LY341495" . . "f" . "LY367385" . "LY367385" . . "f" . "BAY 367620" . "BAY 367620" . . "f" . "CPCCOEt" . "CPCCOEt" . . "f" . "DM-PPP" . "DM-PPP" . . "f" . "NPS2390" . "NPS2390" . . "f" . "JNJ16259685" . "JNJ16259685" . . "f" . "Ro01-6128" . "Ro01-6128" . . "f" . "Ro67-4853" . "Ro67-4853" . . "f" . "Ro67-7476" . "Ro67-7476" . . "f" . "YM298198" . "YM298198" . . "f" . "[3H]EM-TBPC" . "[3H]EM-TBPC" . . "f" . "[3H]R214127" . "[3H]R214127" . . "f" . "(2R,3R)-APDC" . "(2R,3R)-APDC" . . "f" . "ADX-47273" . "ADX-47273" . . "f" . "BOMA" . "BOMA" . . "f" . "CDPPB" . "CDPPB" . . "f" . "CPPHA" . "CPPHA" . . "f" . "eglumegad" . "eglumegad" . . "f" . "LY379268" . "LY379268" . . "f" . "MGS0028" . "MGS0028" . . "f" . "[3H]eglumegad" . "[3H]eglumegad" . . "f" . "MGS0039" . "MGS0039" . . "f" . "α-methylserine-O-phosphate" . "α-methylserine-O-phosphate" . . "f" . "[3H]LY341495" . "[3H]LY341495" . . "f" . "eGlu" . "eGlu" . . "f" . "3-MPPTS" . "3-MPPTS" . . "f" . "4-MPPTS" . "4-MPPTS" . . "f" . "PTBE" . "PTBE" . . "f" . "NAAG" . "NAAG" . . "f" . "(R,S)-4-PPG" . "(R,S)-4-PPG" . . "f" . "(S)-3,4-DCPG" . "(S)-3,4-DCPG" . . "f" . "ACPT-I" . "ACPT-I" . . "f" . "FP0429" . "FP0429" . . "f" . "L-AP4" . "L-AP4" . . "f" . "L-serine-O-phosphate" . "L-serine-O-phosphate" . . "f" . "[3H]AP4" . "[3H]AP4" . . "f" . "CPPG" . "CPPG" . . "f" . "MAP4" . "MAP4" . . "f" . "MPPG" . "MPPG" . . "f" . "PHCCC" . "PHCCC" . . "f" . "3,3'-difluorobenzaldazine" . "3,3'-difluorobenzaldazine" . . "f" . "[3H]M-MPEP" . "[3H]M-MPEP" . . "f" . "MPEP" . "MPEP" . . "f" . "MTEB" . "MTEB" . . "f" . "[14C]MTEP" . "[14C]MTEP" . . "f" . "PTeB" . "PTeB" . . "f" . "SIB-1757" . "SIB-1757" . . "f" . "SIB-1893" . "SIB-1893" . . "f" . "fenobam" . "fenobam" . . "f" . "1-benzyl-APDC" . "1-benzyl-APDC" . . "f" . "PPG" . "PPG" . . "f" . "MCCG" . "MCCG" . . "f" . "AMN082" . "AMN082" . . "f" . "D-AP4" . "D-AP4" . . "f" . "alemcinal" . "alemcinal" . . "f" . "EM-523" . "EM-523" . . "f" . "KOS1326" . "KOS1326" . . "f" . "ME36" . "ME36" . . "f" . "ME4" . "ME4" . . "f" . "ME67" . "ME67" . . "f" . "[D-Bpa5,Ile13]motilin (human)" . "[D-Bpa5,Ile13]motilin (human)" . . "f" . "[L-Bpa5,Ile13]motilin (human)" . "[L-Bpa5,Ile13]motilin (human)" . . "f" . "[Bpa1,Ile13]motilin (human)" . "[Bpa1,Ile13]motilin (human)" . . "f" . "neuromedin U-25" . "neuromedin U-25" . . "f" . "SNC80" . "SNC80" . . "f" . "[Leu13]motilin (human)" . "[Leu13]motilin (human)" . . "f" . "[Phe3,Leu13]motilin (human)" . "[Phe3,Leu13]motilin (human)" . . "f" . "[nLeu13,Glu14]motilin (human)" . "[nLeu13,Glu14]motilin (human)" . . "t" . "erythromycin" . "erythromycin" . . "f" . "motilin" . "motilin" . . "f" . "motilin" . "motilin" . . "f" . "motilin-(1-11) (human)" . "motilin-(1-11) (human)" . . "f" . "motilin-(1-12) (human)" . "motilin-(1-12) (human)" . . "f" . "motilin-(1-13) (human)" . "motilin-(1-13) (human)" . . "f" . "motilin-(1-19) (human)" . "motilin-(1-19) (human)" . . "f" . "motilin-(2-22) (human)" . "motilin-(2-22) (human)" . . "t" . "roxithromycin" . "roxithromycin" . . "f" . "GM-109" . "GM-109" . . "f" . "OHM-11526" . "OHM-11526" . . "f" . "neuromedin S-33" . "neuromedin S-33" . . "f" . "neuromedin U-23" . "neuromedin U-23" . . "f" . "neuromedin U-25" . "neuromedin U-25" . . "f" . "neuromedin U-8" . "neuromedin U-8" . . "f" . "neuromedin U-8" . "neuromedin U-8" . . "f" . "[125I]neuromedin U-25 (human)" . "[125I]neuromedin U-25 (human)" . . "f" . "[125I]neuromedin U-23 (rat)" . "[125I]neuromedin U-23 (rat)" . . "f" . "[125I]neuromedin U-8 (pig)" . "[125I]neuromedin U-8 (pig)" . . "f" . "1DMe" . "1DMe" . . "f" . "EFWSLAAPQRF-NH2" . "EFWSLAAPQRF-NH2" . . "f" . "neuropeptide FF" . "neuropeptide FF" . . "f" . "pancreatic polypeptide" . "pancreatic polypeptide" . . "f" . "Y-RFRP-3" . "Y-RFRP-3" . . "f" . "[125I]1DMe" . "[125I]1DMe" . . "f" . "[125I]Y-RFRP-3" . "[125I]Y-RFRP-3" . . "f" . "BIBP3226" . "BIBP3226" . . "f" . "RF9" . "RF9" . . "f" . "[125I]EYF" . "[125I]EYF" . . "f" . "dNPA" . "dNPA" . . "f" . "neuropeptide S" . "neuropeptide S" . . "f" . "neuropeptide S" . "neuropeptide S" . . "f" . "[125I]Tyr10NPS (human)" . "[125I]Tyr10NPS (human)" . . "f" . "neuropeptide W-23" . "neuropeptide W-23" . . "f" . "neuropeptide W-30" . "neuropeptide W-30" . . "f" . "[125I]NPW-23 (human)" . "[125I]NPW-23 (human)" . . "f" . "[125I][Tyr11]des-Br-NPB-23" . "[125I][Tyr11]des-Br-NPB-23" . . "f" . "des-Br-neuropeptide B-23" . "des-Br-neuropeptide B-23" . . "f" . "des-Br-neuropeptide B-29" . "des-Br-neuropeptide B-29" . . "f" . "neuropeptide B-23" . "neuropeptide B-23" . . "f" . "neuropeptide B-29" . "neuropeptide B-29" . . "f" . "neuropeptide Y" . "neuropeptide Y" . . "f" . "NPY-(13-36) (pig)" . "NPY-(13-36) (pig)" . . "f" . "NPY-(2-36) (pig)" . "NPY-(2-36) (pig)" . . "f" . "NPY-(3-36) (pig)" . "NPY-(3-36) (pig)" . . "f" . "pancreatic polypeptide" . "pancreatic polypeptide" . . "f" . "pancreatic polypeptide" . "pancreatic polypeptide" . . "f" . "pancreatic polypeptide" . "pancreatic polypeptide" . . "f" . "[Leu31,Pro34]NPY" . "[Leu31,Pro34]NPY" . . "f" . "peptide YY" . "peptide YY" . . "f" . "peptide YY" . "peptide YY" . . "f" . "PYY-(13-36) (mouse, rat, pig)" . "PYY-(13-36) (mouse, rat, pig)" . . "f" . "[125I]NPY (human, mouse, rat)" . "[125I]NPY (human, mouse, rat)" . . "f" . "[125I]PYY" . "[125I]PYY" . . "f" . "[125I]PYY (pig)" . "[125I]PYY (pig)" . . "f" . "[3H]NPY (human, mouse, rat)" . "[3H]NPY (human, mouse, rat)" . . "f" . "[Ala31,Aib32]NPY (pig)" . "[Ala31,Aib32]NPY (pig)" . . "f" . "[Leu31,Pro34]NPY (pig)" . "[Leu31,Pro34]NPY (pig)" . . "f" . "[Leu31,Pro34]PYY (pig)" . "[Leu31,Pro34]PYY (pig)" . . "f" . "[Leu31,Pro34]PYY (human)" . "[Leu31,Pro34]PYY (human)" . . "f" . "BIBO3304" . "BIBO3304" . . "f" . "GR231118" . "GR231118" . . "f" . "SR120819A" . "SR120819A" . . "f" . "[125I]GR231118" . "[125I]GR231118" . . "f" . "N-α-Ac-PYY-(22-36) (rat)" . "N-α-Ac-PYY-(22-36) (rat)" . . "f" . "N-α-Ac-PYY-(25-36) (rat)" . "N-α-Ac-PYY-(25-36) (rat)" . . "f" . "C2-NPY (pig)" . "C2-NPY (pig)" . . "f" . "NPY-(13-36) (human)" . "NPY-(13-36) (human)" . . "f" . "NPY-(16-36) (pig)" . "NPY-(16-36) (pig)" . . "f" . "NPY-(20-36) (pig)" . "NPY-(20-36) (pig)" . . "f" . "NPY-(22-36) (pig)" . "NPY-(22-36) (pig)" . . "f" . "NPY-(26-36) (pig)" . "NPY-(26-36) (pig)" . . "f" . "PYY-(3-36) (pig)" . "PYY-(3-36) (pig)" . . "f" . "[D-Trp32]NPY" . "[D-Trp32]NPY" . . "f" . "BIIE0246" . "BIIE0246" . . "f" . "NPY-(2-36)" . "NPY-(2-36)" . . "f" . "PP-(13-36) (human)" . "PP-(13-36) (human)" . . "f" . "PP-(2-36) (human)" . "PP-(2-36) (human)" . . "f" . "PP-(20-36) (human)" . "PP-(20-36) (human)" . . "f" . "PYY-(3-36)" . "PYY-(3-36)" . . "f" . "[Ile31,Gln34]PP (human)" . "[Ile31,Gln34]PP (human)" . . "f" . "NPY-(18-36) (human, pig)" . "NPY-(18-36) (human, pig)" . . "f" . "[125I][PP1-17,Ala31,Aib32]NPY (human)" . "[125I][PP1-17,Ala31,Aib32]NPY (human)" . . "f" . "[Ala31,Aib32]NPY" . "[Ala31,Aib32]NPY" . . "f" . "[PP1-17,Ala31,Aib32]NPY (human)" . "[PP1-17,Ala31,Aib32]NPY (human)" . . "f" . "CGP 71683A" . "CGP 71683A" . . "f" . "FMS586" . "FMS586" . . "f" . "JCF 109" . "JCF 109" . . "f" . "L-152,804" . "L-152,804" . . "f" . "EISAI-1" . "EISAI-1" . . "f" . "EISAI-2" . "EISAI-2" . . "f" . "JMV431" . "JMV431" . . "f" . "JMV449" . "JMV449" . . "f" . "JMV458" . "JMV458" . . "f" . "Thr10contulakin-G" . "Thr10contulakin-G" . . "f" . "contulakin-G" . "contulakin-G" . . "f" . "large neuromedin N" . "large neuromedin N" . . "f" . "large neurotensin" . "large neurotensin" . . "f" . "[3H]diprenorphine" . "[3H]diprenorphine" . . "f" . "neuromedin N" . "neuromedin N" . . "f" . "neurotensin" . "neurotensin" . . "f" . "SR142948A" . "SR142948A" . . "f" . "SR48527" . "SR48527" . . "f" . "meclinertant" . "meclinertant" . . "f" . "[3H]meclinertant" . "[3H]meclinertant" . . "f" . "[D-Trp11]neurotensin" . "[D-Trp11]neurotensin" . . "f" . "Trp11-neurotensin" . "Trp11-neurotensin" . . "t" . "levocabastine" . "levocabastine" . . "f" . "xenin" . "xenin" . . "f" . "nicotinic acid" . "nicotinic acid" . . "f" . "(+)-5-(5-bromothiophen-3-yl)-5-methyl-4-oxo-4,5-dihydro-furan-2-carboxylic acid" . "(+)-5-(5-bromothiophen-3-yl)-5-methyl-4-oxo-4,5-dihydro-furan-2-carboxylic acid" . . "f" . "3-pyridine-acetic acid" . "3-pyridine-acetic acid" . . "f" . "5-butyl-1H-pyrazole-3-carboxylic acid" . "5-butyl-1H-pyrazole-3-carboxylic acid" . . "f" . "5-methyl nicotinic acid" . "5-methyl nicotinic acid" . . "f" . "β-D-hydroxybutyric acid" . "β-D-hydroxybutyric acid" . . "t" . "acipimox" . "acipimox" . . "f" . "IBC 293" . "IBC 293" . . "f" . "compound 5b [PMID: 17358052]" . "compound 5b [PMID: 17358052]" . . "f" . "5-methyl-5-(5-methylthiophen-3-yl)-4-oxo-4,5-dihydrofuran-2-carboxylic acid" . "5-methyl-5-(5-methylthiophen-3-yl)-4-oxo-4,5-dihydrofuran-2-carboxylic acid" . . "f" . "α-neoendorphin" . "α-neoendorphin" . . "f" . "ethylketocyclazocine" . "ethylketocyclazocine" . . "f" . "(-)-bremazocine" . "(-)-bremazocine" . . "f" . "(-)-cyclazocine" . "(-)-cyclazocine" . . "f" . "(-)-methadone" . "(-)-methadone" . . "t" . "(-)-pentazocine" . "(-)-pentazocine" . . "f" . "DADLE" . "DADLE" . . "f" . "DPDPE" . "DPDPE" . . "f" . "DSLET" . "DSLET" . . "f" . "[Leu]enkephalin" . "[Leu]enkephalin" . . "f" . "[Met]enkephalin" . "[Met]enkephalin" . . "f" . "deltorphin II" . "deltorphin II" . . "f" . "dihydromorphine" . "dihydromorphine" . . "f" . "diprenorphine" . "diprenorphine" . . "f" . "dynorphin-(1-11)" . "dynorphin-(1-11)" . . "f" . "dynorphin A" . "dynorphin A" . . "f" . "dynorphin A-(1-8)" . "dynorphin A-(1-8)" . . "f" . "dynorphin B" . "dynorphin B" . . "f" . "endomorphin-1" . "endomorphin-1" . . "f" . "etonitazene" . "etonitazene" . . "f" . "etorphine" . "etorphine" . . "f" . "CTAP" . "CTAP" . . "f" . "ICI 174,864" . "ICI 174,864" . . "f" . "TIPPψ" . "TIPPψ" . . "f" . "[D-Ala2,F5,Phe4]dynorphin-(1-17)-NH2" . "[D-Ala2,F5,Phe4]dynorphin-(1-17)-NH2" . . "t" . "fentanyl" . "fentanyl" . . "t" . "morphine" . "morphine" . . "t" . "nalmefene" . "nalmefene" . . "t" . "nalorphine" . "nalorphine" . . "f" . "normorphine" . "normorphine" . . "f" . "β-FNA" . "β-FNA" . . "f" . "quadazocine" . "quadazocine" . . "f" . "BNTX" . "BNTX" . . "t" . "naloxone" . "naloxone" . . "t" . "naltrexone" . "naltrexone" . . "f" . "naltriben" . "naltriben" . . "f" . "naltrindole" . "naltrindole" . . "f" . "nor-binaltorphimine" . "nor-binaltorphimine" . . "f" . "β-endorphin" . "β-endorphin" . . "f" . "β-neoendorphin" . "β-neoendorphin" . . "f" . "enadoline" . "enadoline" . . "f" . "DAMGO" . "DAMGO" . . "f" . "E2078" . "E2078" . . "f" . "GR 89696" . "GR 89696" . . "f" . "ICI 204448" . "ICI 204448" . . "f" . "nalfurafine" . "nalfurafine" . . "f" . "U50488" . "U50488" . . "f" . "spiradoline" . "spiradoline" . . "f" . "U69593" . "U69593" . . "f" . "[3H]U69593" . "[3H]U69593" . . "f" . "[D-Ala2,F5,Phe4]dynorphin-(1-13)-NH2" . "[D-Ala2,F5,Phe4]dynorphin-(1-13)-NH2" . . "f" . "[Met5]dynorphin-(1-17)" . "[Met5]dynorphin-(1-17)" . . "f" . "dynorphin-(1-17)-NH2" . "dynorphin-(1-17)-NH2" . . "t" . "nalbuphine" . "nalbuphine" . . "f" . "naloxone benzoylhydrazone" . "naloxone benzoylhydrazone" . . "f" . "salvinorin A" . "salvinorin A" . . "f" . "tifluadom" . "tifluadom" . . "f" . "(+)-naloxone" . "(+)-naloxone" . . "f" . "5'-guanidinonaltrindole" . "5'-guanidinonaltrindole" . . "t" . "buprenorphine" . "buprenorphine" . . "f" . "PL017" . "PL017" . . "f" . "[Nphe1]N/OFQ-(1-13)-NH2" . "[Nphe1]N/OFQ-(1-13)-NH2" . . "f" . "peptide III-BTD" . "peptide III-BTD" . . "f" . "orexin-B" . "orexin-B" . . "f" . "[Ala11, D-Leu15]orexin-B" . "[Ala11, D-Leu15]orexin-B" . . "t" . "codeine" . "codeine" . . "f" . "CTOP" . "CTOP" . . "f" . "[3H]naloxone" . "[3H]naloxone" . . "f" . "naloxonazine" . "naloxonazine" . . "f" . "Ac-RYYRIK-NH2" . "Ac-RYYRIK-NH2" . . "f" . "Ac-RYYRWK-NH2" . "Ac-RYYRWK-NH2" . . "f" . "nociceptin/orphanin FQ" . "nociceptin/orphanin FQ" . . "f" . "N/OFQ-(1-13)-NH2" . "N/OFQ-(1-13)-NH2" . . "f" . "N/OFQ-NH2" . "N/OFQ-NH2" . . "f" . "Ro64-6198" . "Ro64-6198" . . "f" . "UFP-102" . "UFP-102" . . "f" . "[(pF)Phe4]N/OFQ-(1-13)-NH2" . "[(pF)Phe4]N/OFQ-(1-13)-NH2" . . "f" . "[3H]Tyr14-N/OFQ" . "[3H]Tyr14-N/OFQ" . . "f" . "[3H]N/OFQ" . "[3H]N/OFQ" . . "f" . "[Arg14Lys15]N/OFQ" . "[Arg14Lys15]N/OFQ" . . "f" . "[F/G]N/OFQ-(1-13)-NH2" . "[F/G]N/OFQ-(1-13)-NH2" . . "f" . "J-113397" . "J-113397" . . "f" . "JTC-801" . "JTC-801" . . "f" . "SB 612111" . "SB 612111" . . "f" . "JNJ-10397049" . "JNJ-10397049" . . "f" . "compound 1 [PMID: 15261275]" . "compound 1 [PMID: 15261275]" . . "f" . "SB-334867" . "SB-334867" . . "f" . "SB-408124" . "SB-408124" . . "f" . "SB-410220" . "SB-410220" . . "f" . "[3H]SB-674042" . "[3H]SB-674042" . . "f" . "2',3'-ddATP" . "2',3'-ddATP" . . "f" . "2MeSADP" . "2MeSADP" . . "f" . "2MeSATP" . "2MeSATP" . . "f" . "ADP" . "ADP" . . "f" . "ATP" . "ATP" . . "f" . "ATPγS" . "ATPγS" . . "f" . "dATPαS" . "dATPαS" . . "f" . "2-chloroadenosine-5-triphosphate" . "2-chloroadenosine-5-triphosphate" . . "f" . "A2P5P" . "A2P5P" . . "f" . "adenosine-3'-5'-bisphosphate" . "adenosine-3'-5'-bisphosphate" . . "f" . "A3P5PS" . "A3P5PS" . . "f" . "MRS2179" . "MRS2179" . . "f" . "MRS2279" . "MRS2279" . . "f" . "MRS2298" . "MRS2298" . . "f" . "MRS2496" . "MRS2496" . . "f" . "MRS2500" . "MRS2500" . . "f" . "PPADS" . "PPADS" . . "f" . "[32P]MRS2500" . "[32P]MRS2500" . . "f" . "[3H]MRS2279" . "[3H]MRS2279" . . "t" . "suramin" . "suramin" . . "f" . "2,2'-pyridylisatogen tosylate" . "2,2'-pyridylisatogen tosylate" . . "f" . "4-thio-UTP" . "4-thio-UTP" . . "f" . "5BrUTP" . "5BrUTP" . . "f" . "Ap4A" . "Ap4A" . . "f" . "MRS2698" . "MRS2698" . . "f" . "uridine triphosphate" . "uridine triphosphate" . . "f" . "UTPγS" . "UTPγS" . . "f" . "diquafosol" . "diquafosol" . . "f" . "denufosol" . "denufosol" . . "f" . "AR-C126313" . "AR-C126313" . . "f" . "reactive blue-2" . "reactive blue-2" . . "f" . "(N)methanocarba-UTP" . "(N)methanocarba-UTP" . . "f" . "CTP" . "CTP" . . "f" . "guanosine-5'-triphosphate" . "guanosine-5'-triphosphate" . . "f" . "ITP" . "ITP" . . "f" . "[3H]CGS23131" . "[3H]CGS23131" . . "f" . "3-phenacyl-UDP" . "3-phenacyl-UDP" . . "f" . "INS48823" . "INS48823" . . "f" . "MRS2693" . "MRS2693" . . "f" . "MRS2782" . "MRS2782" . . "f" . "uridine diphosphate" . "uridine diphosphate" . . "f" . "UDP-β-S" . "UDP-β-S" . . "f" . "Up3U" . "Up3U" . . "f" . "MRS2567" . "MRS2567" . . "f" . "MRS2578" . "MRS2578" . . "f" . "ADPβS" . "ADPβS" . . "f" . "AR-C67085" . "AR-C67085" . . "f" . "BzATP" . "BzATP" . . "f" . "dATP" . "dATP" . . "f" . "NF157" . "NF157" . . "f" . "NF340" . "NF340" . . "f" . "[3H]2MeSADP" . "[3H]2MeSADP" . . "f" . "2MeSAMP" . "2MeSAMP" . . "f" . "[Ile5,Glu19]PTHrP-(1-34) (human)" . "[Ile5,Glu19]PTHrP-(1-34) (human)" . . "f" . "[Ile5,Trp23,Tyr36]PTHrP-(1-36)-NH2 (human)" . "[Ile5,Trp23,Tyr36]PTHrP-(1-36)-NH2 (human)" . . "f" . "[Ile5,Trp23]PTHrP-(1-36) (human)" . "[Ile5,Trp23]PTHrP-(1-36) (human)" . . "f" . "[Ile5,Trp23]PTHrP-(2-36) (human)" . "[Ile5,Trp23]PTHrP-(2-36) (human)" . . "t" . "ticagrelor" . "ticagrelor" . . "f" . "BX 048" . "BX 048" . . "f" . "BX 667" . "BX 667" . . "f" . "INS49266" . "INS49266" . . "f" . "regrelor" . "regrelor" . . "f" . "R-138727" . "R-138727" . . "f" . "clopidogrel (active metabolite)" . "clopidogrel (active metabolite)" . . "f" . "pCMBS" . "pCMBS" . . "f" . "[33P]2MeSADP" . "[33P]2MeSADP" . . "f" . "[Ile5,Trp23]PTHrP-(3-36) (human)" . "[Ile5,Trp23]PTHrP-(3-36) (human)" . . "f" . "[Ile5,Trp23]PTHrP-(4-36) (human)" . "[Ile5,Trp23]PTHrP-(4-36) (human)" . . "f" . "[Ile5,Val21]PTHrP-(1-34) (human)" . "[Ile5,Val21]PTHrP-(1-34) (human)" . . "f" . "[Ile5]PTHrP-(1-34) (human)" . "[Ile5]PTHrP-(1-34) (human)" . . "f" . "[Ile5]PTHrP-(1-36) (human)" . "[Ile5]PTHrP-(1-36) (human)" . . "f" . "[3H]5-oxo-ETE" . "[3H]5-oxo-ETE" . . "t" . "cangrelor" . "cangrelor" . . "f" . "MRS2211" . "MRS2211" . . "f" . "MRS2603" . "MRS2603" . . "f" . "UDP N-acetyl-glucosamine" . "UDP N-acetyl-glucosamine" . . "f" . "UDP-galactose" . "UDP-galactose" . . "f" . "UDP-glucose" . "UDP-glucose" . . "f" . "UDP-glucuronic acid" . "UDP-glucuronic acid" . . "t" . "PTH" . "PTH" . . "f" . "PTH" . "PTH" . . "f" . "PTHrP-(1-20)/TIP-(23-39) (human)" . "PTHrP-(1-20)/TIP-(23-39) (human)" . . "f" . "PTHrP-(1-21)/PTH-(22-34) (human)" . "PTHrP-(1-21)/PTH-(22-34) (human)" . . "f" . "PTHrP-(1-36)" . "PTHrP-(1-36)" . . "f" . "[125I][Nle8,21,Tyr34]PTH-(1-34)-NH2 (rat)" . "[125I][Nle8,21,Tyr34]PTH-(1-34)-NH2 (rat)" . . "f" . "[Arg19]PTH-(1-34) (human)" . "[Arg19]PTH-(1-34) (human)" . . "f" . "[His5,Arg19]PTH-(1-34) (human)" . "[His5,Arg19]PTH-(1-34) (human)" . . "f" . "[His5]PTH-(1-34) (human)" . "[His5]PTH-(1-34) (human)" . . "f" . "[Ile5,Glu19,Val21]PTHrP-(1-34) (human)" . "[Ile5,Glu19,Val21]PTHrP-(1-34) (human)" . . "f" . "PrRP-20" . "PrRP-20" . . "f" . "[Nle8,18,Tyr34]PTH-(1-34)-NH2 (bovine)" . "[Nle8,18,Tyr34]PTH-(1-34)-NH2 (bovine)" . . "f" . "[Nle8,18,Tyr34]PTH-(3-34)-NH2 (bovine)" . "[Nle8,18,Tyr34]PTH-(3-34)-NH2 (bovine)" . . "f" . "[Phe23]PTH-(1-34) (human)" . "[Phe23]PTH-(1-34) (human)" . . "f" . "[Trp23,Tyr36]PTHrP-(1-36)-NH2 (human)" . "[Trp23,Tyr36]PTHrP-(1-36)-NH2 (human)" . . "f" . "[Trp23]PTHrP-(1-36) (human)" . "[Trp23]PTHrP-(1-36) (human)" . . "f" . "[Tyr34]PTH-(1-34) (human)" . "[Tyr34]PTH-(1-34) (human)" . . "f" . "[Tyr34]PTH-(1-34)-NH2 (human)" . "[Tyr34]PTH-(1-34)-NH2 (human)" . . "f" . "[Tyr34]PTH-(3-34)-NH2 (human)" . "[Tyr34]PTH-(3-34)-NH2 (human)" . . "f" . "[Tyr36]-PTHrP-(1-36) amide (human)" . "[Tyr36]-PTHrP-(1-36) amide (human)" . . "f" . "PTHrP-(7-34) (human, rat, mouse)" . "PTHrP-(7-34) (human, rat, mouse)" . . "f" . "TIP39" . "TIP39" . . "f" . "TIP39-(9-39) (human/bovine)" . "TIP39-(9-39) (human/bovine)" . . "f" . "[D-Trp12,Tyr34]PTH-(7-34) (bovine)" . "[D-Trp12,Tyr34]PTH-(7-34) (bovine)" . . "f" . "[D-Trp12]PTH-(7-34) (bovine)" . "[D-Trp12]PTH-(7-34) (bovine)" . . "f" . "[Ile5,Trp23]PTHrP-(5-36)" . "[Ile5,Trp23]PTHrP-(5-36)" . . "f" . "PTHrP-(1-34) (human)" . "PTHrP-(1-34) (human)" . . "f" . "[Ile5,Trp23]PTHrP-(5-36) (human)" . "[Ile5,Trp23]PTHrP-(5-36) (human)" . . "f" . "TIP39-(7-39) (human/bovine)" . "TIP39-(7-39) (human/bovine)" . . "f" . "TIP39-(7-39) (mouse)" . "TIP39-(7-39) (mouse)" . . "f" . "2-O-ethyl-PAF C-16" . "2-O-ethyl-PAF C-16" . . "f" . "2-O-methyl-PAF C-18" . "2-O-methyl-PAF C-18" . . "f" . "PAF" . "PAF" . . "f" . "[3H]PAF" . "[3H]PAF" . . "f" . "enantio PAF C-16" . "enantio PAF C-16" . . "f" . "10-OBn-7α-F-gingkolide B" . "10-OBn-7α-F-gingkolide B" . . "f" . "10-OBn-ginkgolide B" . "10-OBn-ginkgolide B" . . "f" . "10-OBn-ginkgolide C" . "10-OBn-ginkgolide C" . . "f" . "10-OBn-epi-ginkgolide C" . "10-OBn-epi-ginkgolide C" . . "f" . "RP-52770" . "RP-52770" . . "f" . "7α-Cl-ginkgolide B" . "7α-Cl-ginkgolide B" . . "f" . "7α-F-ginkgolide B" . "7α-F-ginkgolide B" . . "f" . "7α-N3-ginkgolide B" . "7α-N3-ginkgolide B" . . "f" . "7α-NH2-ginkgolide B" . "7α-NH2-ginkgolide B" . . "f" . "7α-NHEt-ginkgolide B" . "7α-NHEt-ginkgolide B" . . "f" . "7α-NHMe-ginkgolide B" . "7α-NHMe-ginkgolide B" . . "f" . "7α-OAc-ginkgolide B" . "7α-OAc-ginkgolide B" . . "f" . "7α-OCOCH2Ph-ginkgolide B" . "7α-OCOCH2Ph-ginkgolide B" . . "f" . "7-epi-ginkgolide C" . "7-epi-ginkgolide C" . . "f" . "ABT-299" . "ABT-299" . . "f" . "ABT-491" . "ABT-491" . . "f" . "BN 50739" . "BN 50739" . . "f" . "CV-6209" . "CV-6209" . . "f" . "SCH 37370" . "SCH 37370" . . "f" . "SCH 40338" . "SCH 40338" . . "f" . "SDZ 64-412" . "SDZ 64-412" . . "f" . "foropafant" . "foropafant" . . "f" . "PrRP-31" . "PrRP-31" . . "f" . "PrRP-31" . "PrRP-31" . . "f" . "[125I]PrRP-20 (human)" . "[125I]PrRP-20 (human)" . . "f" . "israpafant" . "israpafant" . . "f" . "[3H]52770 RP" . "[3H]52770 RP" . . "f" . "[3H]apafant" . "[3H]apafant" . . "f" . "apafant" . "apafant" . . "f" . "ginkgolide A" . "ginkgolide A" . . "f" . "ginkgolide B" . "ginkgolide B" . . "f" . "ginkgolide C" . "ginkgolide C" . . "f" . "ginkgolide J" . "ginkgolide J" . . "f" . "MIT1" . "MIT1" . . "f" . "prokineticin-1" . "prokineticin-1" . . "f" . "prokineticin-2" . "prokineticin-2" . . "f" . "prokineticin-2β" . "prokineticin-2β" . . "f" . "PrRP-(24-31) (human)" . "PrRP-(24-31) (human)" . . "f" . "PrRP-20" . "PrRP-20" . . "f" . "Δ12-PGJ2" . "Δ12-PGJ2" . . "f" . "15-deoxy-Δ12,14-PGJ2" . "15-deoxy-Δ12,14-PGJ2" . . "f" . "BW 245C" . "BW 245C" . . "f" . "L-644,698" . "L-644,698" . . "f" . "L-888,291" . "L-888,291" . . "f" . "PGD2" . "PGD2" . . "t" . "PGE1" . "PGE1" . . "t" . "PGE2" . "PGE2" . . "f" . "PGF2α" . "PGF2α" . . "f" . "PGJ2" . "PGJ2" . . "f" . "RS 93520" . "RS 93520" . . "f" . "SQ-27986" . "SQ-27986" . . "f" . "ONO-AE1-259" . "ONO-AE1-259" . . "f" . "ONO-AE1-329" . "ONO-AE1-329" . . "f" . "U46619" . "U46619" . . "f" . "ZK110841" . "ZK110841" . . "f" . "ZK118182" . "ZK118182" . . "f" . "[3H]PGD2" . "[3H]PGD2" . . "f" . "butaprost (free acid form)" . "butaprost (free acid form)" . . "f" . "carbacyclin" . "carbacyclin" . . "f" . "cloprostenol" . "cloprostenol" . . "t" . "iloprost" . "iloprost" . . "f" . "AH6809" . "AH6809" . . "f" . "BWA868C" . "BWA868C" . . "f" . "S-5751" . "S-5751" . . "f" . "[3H]BWA868C" . "[3H]BWA868C" . . "f" . "13,14-dihydro-15-keto-PGD2" . "13,14-dihydro-15-keto-PGD2" . . "f" . "13,14-dihydro-15-keto-PGF2α" . "13,14-dihydro-15-keto-PGF2α" . . "f" . "isocarbacyclin" . "isocarbacyclin" . . "f" . "[3H]SQ-29548" . "[3H]SQ-29548" . . "f" . "15(R)-15-methyl-PGD2" . "15(R)-15-methyl-PGD2" . . "f" . "15(S)-15-methyl-PGD2" . "15(S)-15-methyl-PGD2" . . "f" . "15-deoxy-Δ12,14-PGD2" . "15-deoxy-Δ12,14-PGD2" . . "f" . "TM30089" . "TM30089" . . "f" . "L-888,607" . "L-888,607" . . "f" . "PGD3" . "PGD3" . . "t" . "indomethacin" . "indomethacin" . . "f" . "[3H]ramatroban" . "[3H]ramatroban" . . "f" . "ramatroban" . "ramatroban" . . "f" . "17-phenyl-ω-trinor-PGE2" . "17-phenyl-ω-trinor-PGE2" . . "f" . "MB-28767" . "MB-28767" . . "f" . "ONO-DI-004" . "ONO-DI-004" . . "f" . "SQ-29548" . "SQ-29548" . . "t" . "PGI2" . "PGI2" . . "f" . "[3H]PGE2" . "[3H]PGE2" . . "f" . "cicaprost" . "cicaprost" . . "f" . "enprostil" . "enprostil" . . "f" . "sulprostone" . "sulprostone" . . "f" . "ONO-8711" . "ONO-8711" . . "f" . "ONO-8713" . "ONO-8713" . . "f" . "SC-19220" . "SC-19220" . . "f" . "SC-51089" . "SC-51089" . . "f" . "SC-51322" . "SC-51322" . . "f" . "11-deoxy-PGE1" . "11-deoxy-PGE1" . . "f" . "16,16-dimethyl-PGE2" . "16,16-dimethyl-PGE2" . . "f" . "AH13205" . "AH13205" . . "f" . "evatanepag" . "evatanepag" . . "f" . "rivenprost" . "rivenprost" . . "f" . "ONO-AE-248" . "ONO-AE-248" . . "f" . "misoprostol (free acid form)" . "misoprostol (free acid form)" . . "t" . "misoprostol (methyl ester)" . "misoprostol (methyl ester)" . . "f" . "GR 63799" . "GR 63799" . . "f" . "I-BOP" . "I-BOP" . . "f" . "STA2" . "STA2" . . "f" . "fluprostenol" . "fluprostenol" . . "f" . "L-798,106" . "L-798,106" . . "f" . "ONO-AE3-208" . "ONO-AE3-208" . . "f" . "ONO-AE3-240" . "ONO-AE3-240" . . "f" . "1-OH-PGE1" . "1-OH-PGE1" . . "f" . "13,14-dihydro-PGE1" . "13,14-dihydro-PGE1" . . "f" . "19(R)-OH-PGE2" . "19(R)-OH-PGE2" . . "f" . "AH23848" . "AH23848" . . "f" . "AH23848 (racemic)" . "AH23848 (racemic)" . . "f" . "EP4A" . "EP4A" . . "f" . "GW 627368" . "GW 627368" . . "f" . "13,14-dihydro-16-m-chlorophenoxy-w-tetranor-PGF1α" . "13,14-dihydro-16-m-chlorophenoxy-w-tetranor-PGF1α" . . "f" . "AL-8810" . "AL-8810" . . "f" . "[3H]PGF2α" . "[3H]PGF2α" . . "t" . "bimatoprost" . "bimatoprost" . . "f" . "bimatoprost (free acid form)" . "bimatoprost (free acid form)" . . "t" . "latanoprost (free acid form)" . "latanoprost (free acid form)" . . "f" . "[125I]PTA-OH" . "[125I]PTA-OH" . . "f" . "[125I]SAP" . "[125I]SAP" . . "f" . "[125I]SQ-29548" . "[125I]SQ-29548" . . "f" . "[3H]S-145" . "[3H]S-145" . . "t" . "latanoprost (isopropyl ester)" . "latanoprost (isopropyl ester)" . . "f" . "AFP-07" . "AFP-07" . . "f" . "BMY 45778" . "BMY 45778" . . "f" . "ONO-1301" . "ONO-1301" . . "f" . "TEI-9063" . "TEI-9063" . . "f" . "[3H]iloprost" . "[3H]iloprost" . . "f" . "beraprost" . "beraprost" . . "f" . "taprostene" . "taprostene" . . "f" . "RO1138452" . "RO1138452" . . "f" . "carbocyclic thromboxane A2" . "carbocyclic thromboxane A2" . . "f" . "EP 171" . "EP 171" . . "f" . "U46609" . "U46609" . . "f" . "[125I]BOP" . "[125I]BOP" . . "f" . "[3H]U46619" . "[3H]U46619" . . "f" . "vapiprost" . "vapiprost" . . "f" . "KW-3635" . "KW-3635" . . "f" . "ONO-3708" . "ONO-3708" . . "f" . "domitroban" . "domitroban" . . "f" . "daltroban" . "daltroban" . . "f" . "ifetroban" . "ifetroban" . . "f" . "relaxin-1" . "relaxin-1" . . "f" . "relaxin" . "relaxin" . . "f" . "relaxin-3" . "relaxin-3" . . "f" . "[33P]relaxin (human)" . "[33P]relaxin (human)" . . "f" . "relaxin" . "relaxin" . . "f" . "relaxin" . "relaxin" . . "f" . "relaxin" . "relaxin" . . "f" . "INSL3" . "INSL3" . . "f" . "[125I]INSL3 (human)" . "[125I]INSL3 (human)" . . "f" . "R3/I5" . "R3/I5" . . "f" . "[125I]relaxin-3 (human)" . "[125I]relaxin-3 (human)" . . "f" . "INSL5" . "INSL5" . . "f" . "[125I]INSL5 (human)" . "[125I]INSL5 (human)" . . "f" . "BIM 23050" . "BIM 23050" . . "f" . "BIM 23052" . "BIM 23052" . . "f" . "CGP 23996" . "CGP 23996" . . "f" . "CH 275" . "CH 275" . . "f" . "cortistatin-14" . "cortistatin-14" . . "f" . "CST-17" . "CST-17" . . "f" . "Des-AA1,2,5,12,13-[D-Trp8]SRIF" . "Des-AA1,2,5,12,13-[D-Trp8]SRIF" . . "f" . "BN-81,644" . "BN-81,644" . . "f" . "Des-Ala1,2,5-[D-Trp8,IAmp9]SRIF" . "Des-Ala1,2,5-[D-Trp8,IAmp9]SRIF" . . "f" . "Des-AA1,5-[Tyr2,D-Trp8,IAmp9]SRIF" . "Des-AA1,5-[Tyr2,D-Trp8,IAmp9]SRIF" . . "f" . "Des-AA5-[D-Trp8]SRIF" . "Des-AA5-[D-Trp8]SRIF" . . "f" . "KE 108" . "KE 108" . . "f" . "L-362,855" . "L-362,855" . . "f" . "L-797,591" . "L-797,591" . . "f" . "L-817,818" . "L-817,818" . . "f" . "NC 4-28B" . "NC 4-28B" . . "t" . "pasireotide" . "pasireotide" . . "f" . "SRIF-14" . "SRIF-14" . . "f" . "SRIF-28" . "SRIF-28" . . "f" . "[125I]LTT-SRIF-28" . "[125I]LTT-SRIF-28" . . "f" . "[125I]Tyr10-CST14" . "[125I]Tyr10-CST14" . . "f" . "cyclo(7-12) Des-AA1,2,5-[Glu7,D-Trp8,IAmp9,m-I-Tyr11,hhLys12]SRIF" . "cyclo(7-12) Des-AA1,2,5-[Glu7,D-Trp8,IAmp9,m-I-Tyr11,hhLys12]SRIF" . . "f" . "BIM 23454" . "BIM 23454" . . "f" . "[D-Tyr8]CYN 154806" . "[D-Tyr8]CYN 154806" . . "f" . "[L-Tyr8]CYN 154806" . "[L-Tyr8]CYN 154806" . . "f" . "SRA880" . "SRA880" . . "f" . "[111In]DOTA-BOC-ATE" . "[111In]DOTA-BOC-ATE" . . "f" . "BN-81,674" . "BN-81,674" . . "f" . "L-362,823" . "L-362,823" . . "f" . "L-796,778" . "L-796,778" . . "t" . "lanreotide" . "lanreotide" . . "f" . "BIM 23023" . "BIM 23023" . . "f" . "BIM 23027" . "BIM 23027" . . "f" . "BIM 23030" . "BIM 23030" . . "f" . "BIM 23034" . "BIM 23034" . . "f" . "BIM 23056" . "BIM 23056" . . "f" . "BIM 23066" . "BIM 23066" . . "f" . "BIM 23068" . "BIM 23068" . . "f" . "BOC-ATE" . "BOC-ATE" . . "f" . "DC 23-60" . "DC 23-60" . . "f" . "EC 5-21" . "EC 5-21" . . "f" . "[111In]DOTA-NOC" . "[111In]DOTA-NOC" . . "f" . "L-054,522" . "L-054,522" . . "f" . "L-363,301" . "L-363,301" . . "f" . "L-363,377" . "L-363,377" . . "f" . "L-363,409" . "L-363,409" . . "f" . "L-779,976" . "L-779,976" . . "f" . "seglitide" . "seglitide" . . "f" . "NC 8-12" . "NC 8-12" . . "f" . "NOC-ATE" . "NOC-ATE" . . "f" . "[111In]DOTA-NOC-ATE" . "[111In]DOTA-NOC-ATE" . . "t" . "vapreotide" . "vapreotide" . . "t" . "octreotide" . "octreotide" . . "f" . "[111In,90Y]DOTA-LAN" . "[111In,90Y]DOTA-LAN" . . "f" . "[111In,90Y]DOTA-NOC" . "[111In,90Y]DOTA-NOC" . . "f" . "[111In,90Y]DOTA-OC" . "[111In,90Y]DOTA-OC" . . "f" . "[111In,90Y]DOTA-TOC" . "[111In,90Y]DOTA-TOC" . . "f" . "[125I]Tyr11-SRIF-14" . "[125I]Tyr11-SRIF-14" . . "f" . "[125I]MK-678" . "[125I]MK-678" . . "f" . "[125I]Tyr3 SMS 201-995" . "[125I]Tyr3 SMS 201-995" . . "f" . "AC-178,335" . "AC-178,335" . . "f" . "PRL-2915" . "PRL-2915" . . "f" . "[125I]Tyr7-Sst3-ODN-8" . "[125I]Tyr7-Sst3-ODN-8" . . "f" . "ACQ090" . "ACQ090" . . "f" . "sst3-ODN-8" . "sst3-ODN-8" . . "f" . "β3-tetrapeptide" . "β3-tetrapeptide" . . "f" . "H-c[Cys-Phe-LAgl(NβMe,benzoyl)-DTrp-Lys-Thr-Phe-Cys]-OH" . "H-c[Cys-Phe-LAgl(NβMe,benzoyl)-DTrp-Lys-Thr-Phe-Cys]-OH" . . "f" . "H-c[Cys-Phe-LAgl(NβMe,benzoyl)-Trp-Lys-Thr-Phe-Cys]-OH" . "H-c[Cys-Phe-LAgl(NβMe,benzoyl)-Trp-Lys-Thr-Phe-Cys]-OH" . . "f" . "H-c[DCys-Phe-LAgl(NβMe,benzoyl)-DTrp-Lys-Thr-Phe-Cys]-OH" . "H-c[DCys-Phe-LAgl(NβMe,benzoyl)-DTrp-Lys-Thr-Phe-Cys]-OH" . . "f" . "L-803,087" . "L-803,087" . . "f" . "BIM 23268" . "BIM 23268" . . "f" . "BIM 23313" . "BIM 23313" . . "f" . "eledoisin" . "eledoisin" . . "f" . "hemokinin 1" . "hemokinin 1" . . "f" . "kassinin" . "kassinin" . . "f" . "neurokinin A" . "neurokinin A" . . "f" . "neurokinin B" . "neurokinin B" . . "f" . "neuropeptide K" . "neuropeptide K" . . "f" . "neuropeptide-γ" . "neuropeptide-γ" . . "f" . "phyllomedusin" . "phyllomedusin" . . "f" . "physalaemin" . "physalaemin" . . "f" . "septide" . "septide" . . "f" . "substance P" . "substance P" . . "f" . "substance P-(4-11)" . "substance P-(4-11)" . . "f" . "substance P-(6-11)" . "substance P-(6-11)" . . "f" . "substance P-OMe" . "substance P-OMe" . . "f" . "CP 99994" . "CP 99994" . . "f" . "FK 224" . "FK 224" . . "f" . "L-703,606" . "L-703,606" . . "f" . "R-486" . "R-486" . . "f" . "SCH 206272" . "SCH 206272" . . "f" . "nolpitantium" . "nolpitantium" . . "f" . "ZD6021" . "ZD6021" . . "f" . "osanetant" . "osanetant" . . "f" . "saredutant" . "saredutant" . . "f" . "[βAla8]neurokinin A-(4-10)" . "[βAla8]neurokinin A-(4-10)" . . "f" . "[Phe(Me)7]neurokinin B" . "[Phe(Me)7]neurokinin B" . . "f" . "FK-888" . "FK-888" . . "f" . "GR 159897" . "GR 159897" . . "f" . "MEN 10376" . "MEN 10376" . . "f" . "ibodutant" . "ibodutant" . . "f" . "R396" . "R396" . . "f" . "YM44778" . "YM44778" . . "f" . "YM44781" . "YM44781" . . "f" . "YM49598" . "YM49598" . . "f" . "nepadutant" . "nepadutant" . . "f" . "PD157672" . "PD157672" . . "f" . "[Pro7]neurokinin B" . "[Pro7]neurokinin B" . . "f" . "senktide" . "senktide" . . "f" . "GR138676" . "GR138676" . . "f" . "N′,2-diphenylquinoline-4-carbohydrazide" . "N′,2-diphenylquinoline-4-carbohydrazide" . . "f" . "N',2-diphenylquinoline-4-carbohydrazide 8m" . "N',2-diphenylquinoline-4-carbohydrazide 8m" . . "f" . "SB 222200" . "SB 222200" . . "f" . "talnetant" . "talnetant" . . "f" . "SSR 146977" . "SSR 146977" . . "f" . "MeTRH" . "MeTRH" . . "t" . "TRH" . "TRH" . . "f" . "[3H]MeTRH" . "[3H]MeTRH" . . "f" . "taltirelin" . "taltirelin" . . "f" . "β-phenylethylamine" . "β-phenylethylamine" . . "f" . "3-iodothyronamine" . "3-iodothyronamine" . . "f" . "R(-)amphetamine" . "R(-)amphetamine" . . "t" . "dexamfetamine" . "dexamfetamine" . . "f" . "[3H]tyramine" . "[3H]tyramine" . . "f" . "octopamine" . "octopamine" . . "f" . "tyramine" . "tyramine" . . "f" . "AC-7954" . "AC-7954" . . "f" . "U-II-(4-11) (human)" . "U-II-(4-11) (human)" . . "f" . "urotensin-II" . "urotensin-II" . . "f" . "urotensin-II" . "urotensin-II" . . "f" . "urotensin-II" . "urotensin-II" . . "f" . "urotensin II-related peptide" . "urotensin II-related peptide" . . "f" . "[125I]U-II (human)" . "[125I]U-II (human)" . . "f" . "[Bz-Phe6]U-II (human)" . "[Bz-Phe6]U-II (human)" . . "f" . "[Pen5]U-(4-11) (human)" . "[Pen5]U-(4-11) (human)" . . "f" . "4-Cl-cinnamoyl-c[DCys-4Pal-DTrp-Orn-Val-Cys]-His-amide" . "4-Cl-cinnamoyl-c[DCys-4Pal-DTrp-Orn-Val-Cys]-His-amide" . . "f" . "BIM 23127" . "BIM 23127" . . "f" . "S6716" . "S6716" . . "f" . "SB-436811" . "SB-436811" . . "f" . "SB-706375" . "SB-706375" . . "f" . "[Val4]AVP" . "[Val4]AVP" . . "f" . "tolyacetyl-c[DCys-Apa-DTrp-Orn-Val-Cys]-His-amide" . "tolyacetyl-c[DCys-Apa-DTrp-Orn-Val-Cys]-His-amide" . . "f" . "urantide" . "urantide" . . "t" . "vasopressin" . "vasopressin" . . "f" . "arginine vasotocin" . "arginine vasotocin" . . "f" . "DAVP" . "DAVP" . . "F180" . "F180" . . "f" . "LVP" . "LVP" . . "f" . "OPC-51803" . "OPC-51803" . . "t" . "oxytocin" . "oxytocin" . . "f" . "[3H]OT (human, mouse, rat)" . "[3H]OT (human, mouse, rat)" . . "f" . "[Phe3]OT" . "[Phe3]OT" . . "f" . "[Thr4,Gly7]OT" . "[Thr4,Gly7]OT" . . "f" . "L-371,257" . "L-371,257" . . "f" . "dAVP" . "dAVP" . . "t" . "desmopressin" . "desmopressin" . . "f" . "dVDAVP" . "dVDAVP" . . "f" . "d[D-Pal2]AVP" . "d[D-Pal2]AVP" . . "f" . "d[D-Phe2]AVP" . "d[D-Phe2]AVP" . . "f" . "d[Cha4,Dab8]VP" . "d[Cha4,Dab8]VP" . . "f" . "d[Cha4]AVP" . "d[Cha4]AVP" . . "f" . "d[Cha4]LVP" . "d[Cha4]LVP" . . "f" . "d[Leu4,Dap8]VP" . "d[Leu4,Dap8]VP" . . "f" . "d[Leu4]AVP" . "d[Leu4]AVP" . . "f" . "d[Leu4]LVP" . "d[Leu4]LVP" . . "f" . "LS-192629" . "LS-192629" . . "f" . "3-N3-Phpa-LVA" . "3-N3-Phpa-LVA" . . "f" . "L023103" . "L023103" . . "f" . "OH-LVA" . "OH-LVA" . . "f" . "OPC-21268" . "OPC-21268" . . "f" . "mozavaptan" . "mozavaptan" . . "f" . "RWJ-351647" . "RWJ-351647" . . "t" . "tolvaptan" . "tolvaptan" . . "f" . "[3H]d[Cha4]AVP" . "[3H]d[Cha4]AVP" . . "f" . "satavaptan" . "satavaptan" . . "f" . "relcovaptan" . "relcovaptan" . . "f" . "SSR126768A" . "SSR126768A" . . "f" . "nelivaptan" . "nelivaptan" . . "t" . "conivaptan" . "conivaptan" . . "f" . "YM 218" . "YM 218" . . "f" . "YM 471" . "YM 471" . . "f" . "[125I]3-N3-Phpa-LVA" . "[125I]3-N3-Phpa-LVA" . . "f" . "[Phaa1,D-Tyr(Et)2,Lys6,des-Gly9]AVP" . "[Phaa1,D-Tyr(Et)2,Lys6,des-Gly9]AVP" . . "f" . "[Phaa1,D-Tyr(Et)2,Val4,Lys6,Tyr-NH28,des-Gly9]AVP" . "[Phaa1,D-Tyr(Et)2,Val4,Lys6,Tyr-NH28,des-Gly9]AVP" . . "f" . "[Phaa1,D-Tyr(Me)2,Arg6,Tyr-NH29]AVP" . "[Phaa1,D-Tyr(Me)2,Arg6,Tyr-NH29]AVP" . . "f" . "[Phaa1,D-Tyr2,Val4,Arg6,Arg-NH29]AVP" . "[Phaa1,D-Tyr2,Val4,Arg6,Arg-NH29]AVP" . . "f" . "[tBaa1,D-Tyr(Et)2,Val4,Lys6,Arg-NH28,des-Gly9]AVP" . "[tBaa1,D-Tyr(Et)2,Val4,Lys6,Arg-NH28,des-Gly9]AVP" . . "f" . "[3H]dDAVP" . "[3H]dDAVP" . . "t" . "atosiban" . "atosiban" . . "f" . "d(CH2)5[D-Ile2,Ile4,Ala-NH29]AVP" . "d(CH2)5[D-Ile2,Ile4,Ala-NH29]AVP" . . "f" . "d(CH2)5[D-Ile2,Ile4,Ala-NH2]AVP" . "d(CH2)5[D-Ile2,Ile4,Ala-NH2]AVP" . . "f" . "d(CH2)5[D-Tyr(Et)2,Val4,Tyr-NH29]AVP" . "d(CH2)5[D-Tyr(Et)2,Val4,Tyr-NH29]AVP" . . "f" . "d(CH2)5[Tyr(Et)2,Val4,des-Gly9]AVP" . "d(CH2)5[Tyr(Et)2,Val4,des-Gly9]AVP" . . "f" . "d(CH2)5[Tyr(Me)2,Thr4,Phe(3125I,4N3)-NH29]OVT" . "d(CH2)5[Tyr(Me)2,Thr4,Phe(3125I,4N3)-NH29]OVT" . . "f" . "d(CH2)5[Tyr(Me)2,Thr4,Phe(3I,4N3)-NH29]OVT" . "d(CH2)5[Tyr(Me)2,Thr4,Phe(3I,4N3)-NH29]OVT" . . "f" . "d(CH2)5[Tyr(Me)2,Thr4,Tyr(3125I)-NH29]OVT" . "d(CH2)5[Tyr(Me)2,Thr4,Tyr(3125I)-NH29]OVT" . . "f" . "d(CH2)5[Tyr(Me)2,Thr4,Tyr-NH29]OVT" . "d(CH2)5[Tyr(Me)2,Thr4,Tyr-NH29]OVT" . . "f" . "d(CH2)5[Tyr(Me)2,Thr4]OVT" . "d(CH2)5[Tyr(Me)2,Thr4]OVT" . . "f" . "d(CH2)5[Tyr(Me)2]AVP" . "d(CH2)5[Tyr(Me)2]AVP" . . "f" . "d[Pen1,Tyr(Me)2]AVP" . "d[Pen1,Tyr(Me)2]AVP" . . "f" . "SKF-105494" . "SKF-105494" . . "f" . "[125I]d(CH2)5[D-Ile2,Ile4,Tyr-NH29]AVP" . "[125I]d(CH2)5[D-Ile2,Ile4,Tyr-NH29]AVP" . . "f" . "[125I]d(CH2)5[D-Ile2,Val4,Tyr-NH29]AVP" . "[125I]d(CH2)5[D-Ile2,Val4,Tyr-NH29]AVP" . . "f" . "[125I]d(CH2)5[D-Tyr(Et)2,Ile4,Tyr-NH29]AVP" . "[125I]d(CH2)5[D-Tyr(Et)2,Ile4,Tyr-NH29]AVP" . . "f" . "[125I]d(CH2)5[D-Tyr(Et)2,Val4,Tyr-NH29]AVP" . "[125I]d(CH2)5[D-Tyr(Et)2,Val4,Tyr-NH29]AVP" . . "f" . "[3H]SR 121463A" . "[3H]SR 121463A" . . "f" . "d(CH2)5[D-Ile2,Ile4,Tyr-NH29]AVP" . "d(CH2)5[D-Ile2,Ile4,Tyr-NH29]AVP" . . "f" . "d(CH2)5[D-Ile2,Ile4]AVP" . "d(CH2)5[D-Ile2,Ile4]AVP" . . "f" . "d(CH2)5[D-Ile2,Val4,Tyr-NH29]AVP" . "d(CH2)5[D-Ile2,Val4,Tyr-NH29]AVP" . . "f" . "lixivaptan" . "lixivaptan" . . "f" . "compound 37 [PMID: 16250654]" . "compound 37 [PMID: 16250654]" . . "f" . "L-365,209" . "L-365,209" . . "f" . "L-366,509" . "L-366,509" . . "f" . "L-366,682" . "L-366,682" . . "f" . "L-366,875" . "L-366,875" . . "f" . "L-366,948" . "L-366,948" . . "f" . "L-367,773" . "L-367,773" . . "f" . "L-367,938" . "L-367,938" . . "f" . "L-368,228" . "L-368,228" . . "f" . "L-368,899" . "L-368,899" . . "f" . "L-368,930" . "L-368,930" . . "f" . "L-369,020" . "L-369,020" . . "f" . "L-372662" . "L-372662" . . "f" . "[Mpa1,D-Tyr(Et)2,D-Tic7,D-Tic9]OT" . "[Mpa1,D-Tyr(Et)2,D-Tic7,D-Tic9]OT" . . "f" . "[Mpa1,D-Tyr(Et)2,D-Tic7,Aib9]OT" . "[Mpa1,D-Tyr(Et)2,D-Tic7,Aib9]OT" . . "f" . "[Mpa1,D-Tyr(Et)2,D-Tic7]OT" . "[Mpa1,D-Tyr(Et)2,D-Tic7]OT" . . "f" . "PACAP-27" . "PACAP-27" . . "f" . "PACAP-38" . "PACAP-38" . . "f" . "Ro 25-1553" . "Ro 25-1553" . . "f" . "[125I][Ac-His1]PACAP-27" . "[125I][Ac-His1]PACAP-27" . . "f" . "[125I]PACAP-27" . "[125I]PACAP-27" . . "f" . "[Ac-His1]PACAP-27" . "[Ac-His1]PACAP-27" . . "f" . "maxadilan" . "maxadilan" . . "f" . "Max.d.4" . "Max.d.4" . . "f" . "N-stearyl-[Nle17] neurotensin-(6-11)/VIP-(7-28)" . "N-stearyl-[Nle17] neurotensin-(6-11)/VIP-(7-28)" . . "f" . "PACAP-(6-38)" . "PACAP-(6-38)" . . "f" . "PG 97-269" . "PG 97-269" . . "f" . "BAY 55-9837" . "BAY 55-9837" . . "f" . "GHRH" . "GHRH" . . "f" . "N-stearyl-[Nle17]VIP" . "N-stearyl-[Nle17]VIP" . . "f" . "PG 99-465" . "PG 99-465" . . "f" . "PHI" . "PHI" . . "f" . "PHM" . "PHM" . . "f" . "PHV" . "PHV" . . "f" . "Ro 25-1392" . "Ro 25-1392" . . "f" . "helodermin" . "helodermin" . . "f" . "[125I]BAY 55-9837" . "[125I]BAY 55-9837" . . "f" . "1-phenylbiguanide" . "1-phenylbiguanide" . . "t" . "azasetron" . "azasetron" . . "t" . "cocaine" . "cocaine" . . "f" . "meta-chlorphenylbiguanide" . "meta-chlorphenylbiguanide" . . "f" . "(R)-zacopride" . "(R)-zacopride" . . "f" . "(S)-zacopride" . "(S)-zacopride" . . "t" . "ondansetron" . "ondansetron" . . "f" . "picrotoxinin" . "picrotoxinin" . . "f" . "[3H]granisetron" . "[3H]granisetron" . . "f" . "trichloroethanol" . "trichloroethanol" . . "f" . "UCL1684" . "UCL1684" . . "f" . "UCL1848" . "UCL1848" . . "t" . "tubocurarine" . "tubocurarine" . . "f" . "5-hydroxyindole" . "5-hydroxyindole" . . "t" . "alosetron" . "alosetron" . . "f" . "cilansetron" . "cilansetron" . . "t" . "diltiazem" . "diltiazem" . . "f" . "ethanol" . "ethanol" . . "t" . "chlorzoxazone" . "chlorzoxazone" . . "f" . "CyPPA" . "CyPPA" . . "f" . "DC-EBIO" . "DC-EBIO" . . "t" . "granisetron" . "granisetron" . . "f" . "ramosetron" . "ramosetron" . . "f" . "ricasetron" . "ricasetron" . . "f" . "[3H]GR65630" . "[3H]GR65630" . . "f" . "[3H]meta-chlorophenylbiguanide" . "[3H]meta-chlorophenylbiguanide" . . "f" . "[3H]ramosetron" . "[3H]ramosetron" . . "f" . "toxin BmP09" . "toxin BmP09" . . "f" . "flindokalner" . "flindokalner" . . "f" . "NS1643" . "NS1643" . . "f" . "paxilline" . "paxilline" . . "f" . "slotoxin" . "slotoxin" . . "f" . "apamin" . "apamin" . . "f" . "bicuculline" . "bicuculline" . . "f" . "dequalinium" . "dequalinium" . . "f" . "EBIO" . "EBIO" . . "f" . "Lei-Dab7" . "Lei-Dab7" . . "f" . "leiurotoxin I" . "leiurotoxin I" . . "t" . "riluzole" . "riluzole" . . "f" . "zoxazolamine" . "zoxazolamine" . . "f" . "charybdotoxin" . "charybdotoxin" . . "f" . "charybdotoxin-GLU32 analog" . "charybdotoxin-GLU32 analog" . . "t" . "clotrimazole" . "clotrimazole" . . "f" . "senicapoc" . "senicapoc" . . "f" . "maurotoxin" . "maurotoxin" . . "f" . "compound rac-16 [PMID: 15603962]" . "compound rac-16 [PMID: 15603962]" . . "t" . "nitrendipine" . "nitrendipine" . . "f" . "SKA-31" . "SKA-31" . . "f" . "L-(cis)-diltiazem" . "L-(cis)-diltiazem" . . "f" . "all-trans-retinal" . "all-trans-retinal" . . "f" . "YIL781" . "YIL781" . . "f" . "TRAM-34" . "TRAM-34" . . "t" . "bepridil" . "bepridil" . . "f" . "bithionol" . "bithionol" . . "f" . "Cl-" . "Cl-" . . "f" . "Na+" . "Na+" . . "f" . "phorbol 12-myristate 13-acetate" . "phorbol 12-myristate 13-acetate" . . "t" . "quinidine" . "quinidine" . . "f" . "tetraethylammonium" . "tetraethylammonium" . . "f" . "Ba2+" . "Ba2+" . . "f" . "H+" . "H+" . . "f" . "cyclic GMP" . "cyclic GMP" . . "f" . "H-8" . "H-8" . . "f" . "calmodulin" . "calmodulin" . . "f" . "cyclic AMP" . "cyclic AMP" . . "f" . "PIP3" . "PIP3" . . "f" . "pseudechetoxin" . "pseudechetoxin" . . "f" . "cilobradine" . "cilobradine" . . "t" . "ivabradine" . "ivabradine" . . "f" . "zatebradine" . "zatebradine" . . "f" . "ZD7288" . "ZD7288" . . "f" . "[3H]strychnine" . "[3H]strychnine" . . "5,7-dichlorokynurenic acid" . "5,7-dichlorokynurenic acid" . . "f" . "α-Emtbl" . "α-Emtbl" . . "f" . "anandamide" . "anandamide" . . "β-alanine" . "β-alanine" . . "f" . "bilobalide" . "bilobalide" . . "NIP-142" . "NIP-142" . . "f" . "allyl isothiocyanate" . "allyl isothiocyanate" . . "f" . "12S-HPETE" . "12S-HPETE" . . "f" . "15S-HPETE" . "15S-HPETE" . . "t" . "colchicine" . "colchicine" . . "f" . "cyanotriphenylborate" . "cyanotriphenylborate" . . "t" . "dehydroepiandrosterone" . "dehydroepiandrosterone" . . "t" . "ivermectin" . "ivermectin" . . "f" . "NBBCC" . "NBBCC" . . "f" . "NV-31" . "NV-31" . . "t" . "pregnenolone" . "pregnenolone" . . "f" . "OAG" . "OAG" . . "f" . "SAG" . "SAG" . . "f" . "5S-HPETE" . "5S-HPETE" . . "t" . "progesterone" . "progesterone" . . "f" . "RU5135" . "RU5135" . . "f" . "taurine" . "taurine" . . "f" . "K+" . "K+" . . "f" . "[125I]tertiapin Y1/K12/Q13" . "[125I]tertiapin Y1/K12/Q13" . . "f" . "tertiapin-Q" . "tertiapin-Q" . . "f" . "oleoyl-CoA" . "oleoyl-CoA" . . "f" . "PIP2" . "PIP2" . . "f" . "putrescine" . "putrescine" . . "f" . "Rb+" . "Rb+" . . "f" . "spermidine" . "spermidine" . . "f" . "arachidonic acid" . "arachidonic acid" . . "f" . "rose bengal (photoactivated)" . "rose bengal (photoactivated)" . . "f" . "tenidap" . "tenidap" . . "t" . "diazoxide" . "diazoxide" . . "t" . "bupivacaine" . "bupivacaine" . . "t" . "clomipramine" . "clomipramine" . . "t" . "desipramine" . "desipramine" . . "f" . "F3" . "F3" . . "t" . "halothane" . "halothane" . . "f" . "guanosine 5'-diphosphate" . "guanosine 5'-diphosphate" . . "f" . "(+)-menthol" . "(+)-menthol" . . "PMD38" . "PMD38" . . "t" . "maprotiline" . "maprotiline" . . "f" . "dizocilpine" . "dizocilpine" . . "t" . "nortriptyline" . "nortriptyline" . . "QX-314" . "QX-314" . . "t" . "verapamil" . "verapamil" . . "t" . "fingolimod" . "fingolimod" . . "t" . "nicorandil" . "nicorandil" . . "t" . "pinacidil" . "pinacidil" . . "f" . "cromakalim" . "cromakalim" . . "t" . "glibenclamide" . "glibenclamide" . . "t" . "fampridine" . "fampridine" . . "t" . "amiloride" . "amiloride" . . "f" . "cinnamaldehyde" . "cinnamaldehyde" . . "t" . "Δ9-tetrahydrocannabinol" . "Δ9-tetrahydrocannabinol" . . "t" . "gentamicin" . "gentamicin" . . "f" . "gingerol" . "gingerol" . . "f" . "icilin" . "icilin" . . "t" . "(-)-menthol" . "(-)-menthol" . . "methyl salicylate" . "methyl salicylate" . . "f" . "ruthenium red" . "ruthenium red" . . "f" . "2-APB" . "2-APB" . . "f" . "La3+" . "La3+" . . "f" . "DOG" . "DOG" . . "f" . "BTP2" . "BTP2" . . "t" . "niflumic acid" . "niflumic acid" . . "Cd2+" . "Cd2+" . . "f" . "SKF96365" . "SKF96365" . . "f" . "SLG" . "SLG" . . "f" . "ACAA" . "ACAA" . . "f" . "ADP ribose" . "ADP ribose" . . "f" . "cADPR" . "cADPR" . . "t" . "econazole" . "econazole" . . "t" . "flufenamic acid" . "flufenamic acid" . . "f" . "H2O2" . "H2O2" . . "t" . "miconazole" . "miconazole" . . "f" . "NAADP" . "NAADP" . . "f" . "NAD" . "NAD" . . "f" . "sphingosine" . "sphingosine" . . "f" . "dihydrosphingosine" . "dihydrosphingosine" . . "f" . "NN-dimethyl-D-erythrosphingosine" . "NN-dimethyl-D-erythrosphingosine" . . "f" . "adenosine 5'-monophosphate" . "adenosine 5'-monophosphate" . . "f" . "AMP-PNP" . "AMP-PNP" . . "f" . "decavanadate" . "decavanadate" . . "f" . "BCTC" . "BCTC" . . "f" . "capsazepine" . "capsazepine" . . "f" . "isopulegol" . "isopulegol" . . "cooling agent 10" . "cooling agent 10" . . "f" . "eucalyptol" . "eucalyptol" . . "frescolat MGA" . "frescolat MGA" . . "f" . "frescolat ML" . "frescolat ML" . . "f" . "geraniol" . "geraniol" . . "f" . "hydroxycitronellal" . "hydroxycitronellal" . . "f" . "linalool" . "linalool" . . "f" . "thio-BCTC" . "thio-BCTC" . . "f" . "agatoxin 489" . "agatoxin 489" . . "f" . "arvanil" . "arvanil" . . "t" . "capsaicin" . "capsaicin" . . "f" . "LTB4" . "LTB4" . . "f" . "olvanil" . "olvanil" . . "f" . "piperine" . "piperine" . . "f" . "resiniferatoxin" . "resiniferatoxin" . . "f" . "[125I]resiniferatoxin" . "[125I]resiniferatoxin" . . "f" . "diphenylboronic anhydride" . "diphenylboronic anhydride" . . "f" . "insulin-like growth factor 1" . "insulin-like growth factor 1" . . "f" . "neuropeptide head activator" . "neuropeptide head activator" . . "f" . "carvacrol" . "carvacrol" . . "f" . "diphenyltetrahydrofuran" . "diphenyltetrahydrofuran" . . "f" . "thymol" . "thymol" . . "f" . "bisandrographolide" . "bisandrographolide" . . "f" . "chloroform" . "chloroform" . . "t" . "angiotensin II" . "angiotensin II" . . "t" . "isoflurane" . "isoflurane" . . "f" . "R-(+)-methanandamide" . "R-(+)-methanandamide" . . "f" . "clofilium" . "clofilium" . . "f" . "lysophosphatidylcholine" . "lysophosphatidylcholine" . . "t" . "NO" . "NO" . . "f" . "CP-339818" . "CP-339818" . . "t" . "quinine" . "quinine" . . "f" . "BAYK 8644" . "BAYK 8644" . . "f" . "[3H](+)-cis-diltiazem" . "[3H](+)-cis-diltiazem" . . "f" . "(+)-isradipine" . "(+)-isradipine" . . "t" . "nifedipine" . "nifedipine" . . "f" . "[3H](-)devapamil" . "[3H](-)devapamil" . . "f" . "(-)-devapamil" . "(-)-devapamil" . . "f" . "FPL64176" . "FPL64176" . . "f" . "(-)-(R)-efonidipine" . "(-)-(R)-efonidipine" . . "f" . "kurtoxin" . "kurtoxin" . . "t" . "mibefradil" . "mibefradil" . . "t" . "nimodipine" . "nimodipine" . . "t" . "nisoldipine" . "nisoldipine" . . "Pb2+" . "Pb2+" . . "f" . "DW13.3" . "DW13.3" . . "f" . "ω-agatoxin IIIA" . "ω-agatoxin IIIA" . . "f" . "ω-agatoxin IVA" . "ω-agatoxin IVA" . . "f" . "ω-agatoxin IVB" . "ω-agatoxin IVB" . . "f" . "ω-conotoxin CVIA" . "ω-conotoxin CVIA" . . "f" . "ω-conotoxin CVIB" . "ω-conotoxin CVIB" . . "f" . "ω-conotoxin CVIC" . "ω-conotoxin CVIC" . . "f" . "ω-conotoxin CVID" . "ω-conotoxin CVID" . . "f" . "ω-conotoxin GVIA" . "ω-conotoxin GVIA" . . "f" . "tedisamil" . "tedisamil" . . "f" . "(S)-N-[1-(3-morpholin-4-yl-phenyl)-ethyl]-3-phenyl-acrylamide" . "(S)-N-[1-(3-morpholin-4-yl-phenyl)-ethyl]-3-phenyl-acrylamide" . . "f" . "ω-conotoxin MVIIA" . "ω-conotoxin MVIIA" . . "f" . "ω-conotoxin MVIIC" . "ω-conotoxin MVIIC" . . "f" . "ω-conotoxin MVIID" . "ω-conotoxin MVIID" . . "f" . "ω-grammotoxin SIA" . "ω-grammotoxin SIA" . . "f" . "ω-phonetoxin-IIA" . "ω-phonetoxin-IIA" . . "f" . "ω-PnTx3-3" . "ω-PnTx3-3" . . "f" . "PnTx-3-6" . "PnTx-3-6" . . "f" . "dendrotoxin-I" . "dendrotoxin-I" . . "f" . "hongotoxin-1" . "hongotoxin-1" . . "f" . "kaliotoxin" . "kaliotoxin" . . "f" . "margatoxin" . "margatoxin" . . "f" . "mast cell degranulating peptide" . "mast cell degranulating peptide" . . "f" . "ShK Toxin" . "ShK Toxin" . . "f" . "α-KTx 13.2" . "α-KTx 13.2" . . "f" . "BgK" . "BgK" . . "f" . "noxiustoxin" . "noxiustoxin" . . "f" . "pandinotoxin-K α" . "pandinotoxin-K α" . . "f" . "5-(4-phenoxybutoxy)psoralen" . "5-(4-phenoxybutoxy)psoralen" . . "f" . "correolide" . "correolide" . . "f" . "OSK1-K16-D20" . "OSK1-K16-D20" . . "t" . "nicardipine" . "nicardipine" . . "t" . "flecainide" . "flecainide" . . "t" . "propafenone" . "propafenone" . . "f" . "S9947" . "S9947" . . "f" . "α-dendrotoxin" . "α-dendrotoxin" . . "f" . "[125I]α-DTX" . "[125I]α-DTX" . . "f" . "[125I]BgK (W5Y / Y26F)" . "[125I]BgK (W5Y / Y26F)" . . "t" . "amiodarone" . "amiodarone" . . "f" . "linopirdine" . "linopirdine" . . "t" . "ketoconazole" . "ketoconazole" . . "f" . "3-bicyclo[2.2.1]hept-2-yl-benzene-1,2-diol" . "3-bicyclo[2.2.1]hept-2-yl-benzene-1,2-diol" . . "f" . "DABCO-C16" . "DABCO-C16" . . "f" . "jingzhaotoxin-III" . "jingzhaotoxin-III" . . "f" . "jingzhaotoxin-XI" . "jingzhaotoxin-XI" . . "f" . "ScTx1" . "ScTx1" . . "f" . "DABCO" . "DABCO" . . "f" . "sea anemone toxin BDS-I" . "sea anemone toxin BDS-I" . . "t" . "thiopental" . "thiopental" . . "f" . "HmTx1" . "HmTx1" . . "f" . "heteropodatoxin-2" . "heteropodatoxin-2" . . "f" . "phrixotoxin 1" . "phrixotoxin 1" . . "f" . "phrixotoxin 2" . "phrixotoxin 2" . . "f" . "sBmTX 3" . "sBmTX 3" . . "f" . "pirinixic acid" . "pirinixic acid" . . "t" . "nicotine" . "nicotine" . . "t" . "sibutramine" . "sibutramine" . . "f" . "azimilide" . "azimilide" . . "f" . "(3R,4S)-293B" . "(3R,4S)-293B" . . "f" . "HMR-1556" . "HMR-1556" . . "IKs124" . "IKs124" . . "f" . "L735821" . "L735821" . . "t" . "mefenamic acid" . "mefenamic acid" . . "f" . "R-L3" . "R-L3" . . "f" . "XE991" . "XE991" . . "f" . "zinc pyrithione" . "zinc pyrithione" . . "f" . "flupirtine" . "flupirtine" . . "t" . "retigabine" . "retigabine" . . "t" . "astemizole" . "astemizole" . . "t" . "dofetilide" . "dofetilide" . . "f" . "E4031" . "E4031" . . "f" . "LY97241" . "LY97241" . . "f" . "MK-499" . "MK-499" . . "t" . "terfenadine" . "terfenadine" . . "f" . "APETx-1" . "APETx-1" . . "f" . "BeKm-1" . "BeKm-1" . . "f" . "SB-219994" . "SB-219994" . . "f" . "rottlerin" . "rottlerin" . . "f" . "ErgTx-1" . "ErgTx-1" . . "f" . "AFT-II" . "AFT-II" . . "f" . "ATX-II" . "ATX-II" . . "f" . "Bc-III" . "Bc-III" . . "f" . "tetrodotoxin" . "tetrodotoxin" . . "f" . "aconitine" . "aconitine" . . "f" . "α-scorpion toxin 2" . "α-scorpion toxin 2" . . "f" . "batrachotoxin" . "batrachotoxin" . . "f" . "β-scorpion toxin Css IV" . "β-scorpion toxin Css IV" . . "f" . "etidocaine" . "etidocaine" . . "t" . "lamotrigine" . "lamotrigine" . . "f" . "SB-219993" . "SB-219993" . . "t" . "lidocaine" . "lidocaine" . . "t" . "phenytoin" . "phenytoin" . . "f" . "saxitoxin" . "saxitoxin" . . "f" . "veratridine" . "veratridine" . . "f" . "β-scorpion toxin TiTXγ" . "β-scorpion toxin TiTXγ" . . "f" . "grayanotoxin III" . "grayanotoxin III" . . "t" . "mexiletine" . "mexiletine" . . "f" . "μ-conotoxin GIIIA" . "μ-conotoxin GIIIA" . . "f" . "μ-conotoxin PIIIA" . "μ-conotoxin PIIIA" . . "f" . "β-scorpion toxin Cn2" . "β-scorpion toxin Cn2" . . "f" . "NH-3" . "NH-3" . . "t" . "triiodothyronine" . "triiodothyronine" . . "f" . "fenofibric acid" . "fenofibric acid" . . "f" . "neuromedin S-36" . "neuromedin S-36" . . "t" . "T4" . "T4" . . "f" . "rT3" . "rT3" . . "f" . "tiratricol" . "tiratricol" . . "f" . "KB-141" . "KB-141" . . "f" . "sobetirome" . "sobetirome" . . "f" . "AGN193109" . "AGN193109" . . "f" . "BMS493" . "BMS493" . . "f" . "Ro 41-5253" . "Ro 41-5253" . . "f" . "BMS614" . "BMS614" . . "t" . "tretinoin" . "tretinoin" . . "t" . "alitretinoin" . "alitretinoin" . . "f" . "AD-5061" . "AD-5061" . . "f" . "TTNPB" . "TTNPB" . . "f" . "Ro 40-6055" . "Ro 40-6055" . . "t" . "tamibarotene" . "tamibarotene" . . "f" . "AGN193836" . "AGN193836" . . "f" . "BMS753" . "BMS753" . . "f" . "BMS641" . "BMS641" . . "f" . "CD666" . "CD666" . . "f" . "BMS270394" . "BMS270394" . . "f" . "CD2665" . "CD2665" . . "f" . "MK-886" . "MK-886" . . "f" . "GW409544" . "GW409544" . . "f" . "LY-510929" . "LY-510929" . . "f" . "LY-518674" . "LY-518674" . . "f" . "LY-465608" . "LY-465608" . . "f" . "N-oleoylethanolamide" . "N-oleoylethanolamide" . . "f" . "ragaglitazar" . "ragaglitazar" . . "t" . "clofibrate" . "clofibrate" . . "t" . "bezafibrate" . "bezafibrate" . . "f" . "eicosatetranoic acid" . "eicosatetranoic acid" . . "f" . "reglitazar" . "reglitazar" . . "f" . "DRF 2519" . "DRF 2519" . . "f" . "farglitazar" . "farglitazar" . . "f" . "GW9578" . "GW9578" . . "f" . "GW7647" . "GW7647" . . "f" . "imiglitazar" . "imiglitazar" . . "f" . "pristanic acid" . "pristanic acid" . . "f" . "MK-0767" . "MK-0767" . . "f" . "NS-220" . "NS-220" . . "f" . "8S-HETE" . "8S-HETE" . . "f" . "GW2331" . "GW2331" . . "f" . "pterostilbene" . "pterostilbene" . . "f" . "nTzDpa" . "nTzDpa" . . "f" . "GW2433" . "GW2433" . . "f" . "phosphatidylethanolamine" . "phosphatidylethanolamine" . . "f" . "palmoxiric acid" . "palmoxiric acid" . . "f" . "GW0742X" . "GW0742X" . . "f" . "GW501516" . "GW501516" . . "f" . "L-783483" . "L-783483" . . "f" . "L-796449" . "L-796449" . . "f" . "L-165461" . "L-165461" . . "f" . "L-165041" . "L-165041" . . "f" . "15-deoxy-Δ-12,14-prostaglandin J2" . "15-deoxy-Δ-12,14-prostaglandin J2" . . "t" . "troglitazone" . "troglitazone" . . "t" . "pioglitazone" . "pioglitazone" . . "f" . "GW0072" . "GW0072" . . "f" . "L-764406" . "L-764406" . . "t" . "mesalazine" . "mesalazine" . . "f" . "AD5075" . "AD5075" . . "f" . "[3H]AD5075" . "[3H]AD5075" . . "f" . "GW1929" . "GW1929" . . "f" . "GW7845" . "GW7845" . . "f" . "FMOC-L-Leucine" . "FMOC-L-Leucine" . . "f" . "[3H]GW2331" . "[3H]GW2331" . . "f" . "netoglitazone" . "netoglitazone" . . "BADGE" . "BADGE" . . "f" . "PAT5A" . "PAT5A" . . "f" . "[125I]SB-236636" . "[125I]SB-236636" . . "f" . "ciglitazone" . "ciglitazone" . . "t" . "ibuprofen" . "ibuprofen" . . "t" . "diclofenac" . "diclofenac" . . "f" . "COOH" . "COOH" . . "f" . "bardoxolone" . "bardoxolone" . . "f" . "cholesterol" . "cholesterol" . . "f" . "[3H](+)-isradipine" . "[3H](+)-isradipine" . . "f" . "cholesterol sulphate" . "cholesterol sulphate" . . "t" . "lovastatin" . "lovastatin" . . "f" . "ALRT 1550" . "ALRT 1550" . . "f" . "all-trans-4-oxo-retinoic acid" . "all-trans-4-oxo-retinoic acid" . . "f" . "22R-hydroxycholesterol" . "22R-hydroxycholesterol" . . "f" . "GW4064" . "GW4064" . . "f" . "fexaramine" . "fexaramine" . . "f" . "guggulsterone" . "guggulsterone" . . "f" . "lanosterol" . "lanosterol" . . "f" . "5β-pregnane-3,20-dione" . "5β-pregnane-3,20-dione" . . "f" . "androstanol" . "androstanol" . . "f" . "androstenol" . "androstenol" . . "t" . "vitamin D3" . "vitamin D3" . . "f" . "desmosterol" . "desmosterol" . . "f" . "24(S)-hydroxycholesterol" . "24(S)-hydroxycholesterol" . . "f" . "24(S), 25-epoxycholesterol" . "24(S), 25-epoxycholesterol" . . "f" . "27-hydroxycholesterol" . "27-hydroxycholesterol" . . "f" . "acetyl-podocarpic dimer" . "acetyl-podocarpic dimer" . . "f" . "GW3965" . "GW3965" . . "f" . "T0901317" . "T0901317" . . "f" . "TCPOBOP" . "TCPOBOP" . . "t" . "meclizine" . "meclizine" . . "f" . "CITCO" . "CITCO" . . "f" . "pregnenolone-16α-carbonitrile" . "pregnenolone-16α-carbonitrile" . . "f" . "SR12813" . "SR12813" . . "f" . "hyperforin" . "hyperforin" . . "t" . "rifampicin" . "rifampicin" . . "f" . "3-keto-lithocholic acid" . "3-keto-lithocholic acid" . . "f" . "trihydroxycholestane" . "trihydroxycholestane" . . "t" . "dexamethasone" . "dexamethasone" . . "f" . "schisandrin A" . "schisandrin A" . . "t" . "paclitaxel" . "paclitaxel" . . "f" . "vitamin K2" . "vitamin K2" . . "f" . "(+)-S20" . "(+)-S20" . . "f" . "S20" . "S20" . . "t" . "trabectedin" . "trabectedin" . . "f" . "lexacalcitol" . "lexacalcitol" . . "f" . "2MD" . "2MD" . . "f" . "seocalcitol" . "seocalcitol" . . "t" . "calcipotriol" . "calcipotriol" . . "t" . "1,25-dihydroxyvitamin D3" . "1,25-dihydroxyvitamin D3" . . "f" . "neuromedin S-36" . "neuromedin S-36" . . "f" . "tacalcitol" . "tacalcitol" . . "f" . "falecalcitriol" . "falecalcitriol" . . "f" . "gemini" . "gemini" . . "t" . "eldecalcitol" . "eldecalcitol" . . "f" . "maxacalcitol" . "maxacalcitol" . . "f" . "elocalcitol" . "elocalcitol" . . "f" . "calcitriol-26,23-lactone" . "calcitriol-26,23-lactone" . . "f" . "LG190178" . "LG190178" . . "f" . "TEI-9647" . "TEI-9647" . . "f" . "ZK159222" . "ZK159222" . . "t" . "doxercalciferol" . "doxercalciferol" . . "t" . "paricalcitol" . "paricalcitol" . . "f" . "phosphatidyl (3,4) inositol bisphosphate" . "phosphatidyl (3,4) inositol bisphosphate" . . "f" . "phosphatidyl (3,5) inositol bisphosphate" . "phosphatidyl (3,5) inositol bisphosphate" . . "t" . "colfosceril palmitate" . "colfosceril palmitate" . . "t" . "diethylstilbestrol" . "diethylstilbestrol" . . "f" . "cholesten" . "cholesten" . . "f" . "5β-cholestane-3α,7α,12α-triol" . "5β-cholestane-3α,7α,12α-triol" . . "t" . "phenobarbital" . "phenobarbital" . . "t" . "mifepristone" . "mifepristone" . . "f" . "myristic acid" . "myristic acid" . . "t" . "bexarotene" . "bexarotene" . . "f" . "LG100268" . "LG100268" . . "f" . "neuropeptide W-23" . "neuropeptide W-23" . . "f" . "SR11237" . "SR11237" . . "f" . "CD3254" . "CD3254" . . "f" . "AGN194204" . "AGN194204" . . "f" . "methoprene acid" . "methoprene acid" . . "f" . "phytanic acid" . "phytanic acid" . . "f" . "LG100754" . "LG100754" . . "f" . "PA451" . "PA451" . . "f" . "UVI3003" . "UVI3003" . . "f" . "4-hydroxytamoxifen" . "4-hydroxytamoxifen" . . "t" . "estrone" . "estrone" . . "f" . "propylpyrazoletriol" . "propylpyrazoletriol" . . "t" . "raloxifene" . "raloxifene" . . "f" . "AM966" . "AM966" . . "f" . "compound 8b [PMID: 1992138]" . "compound 8b [PMID: 1992138]" . . "t" . "estriol" . "estriol" . . "f" . "R,R-THC" . "R,R-THC" . . "f" . "hexestrol" . "hexestrol" . . "f" . "diarylpropionitrile" . "diarylpropionitrile" . . "f" . "genistein" . "genistein" . . "f" . "HPTE" . "HPTE" . . "f" . "daidzein" . "daidzein" . . "f" . "biochanin A" . "biochanin A" . . "f" . "toxaphene" . "toxaphene" . . "f" . "chlordane" . "chlordane" . . "f" . "XCT790" . "XCT790" . . "f" . "compound 1a [PMID: 17556356]" . "compound 1a [PMID: 17556356]" . . "f" . "DY131" . "DY131" . . "f" . "GSK4716" . "GSK4716" . . "f" . "LPA" . "LPA" . . "f" . "compound 4rr [PMID: 1656041]" . "compound 4rr [PMID: 1656041]" . . "t" . "adenosine" . "adenosine" . . "f" . "dihydrotestosterone" . "dihydrotestosterone" . . "f" . "methyltrienolone" . "methyltrienolone" . . "t" . "testosterone" . "testosterone" . . "f" . "mibolerone" . "mibolerone" . . "f" . "androstenedione" . "androstenedione" . . "t" . "fluoxymesterone" . "fluoxymesterone" . . "f" . "hydroxyflutamide" . "hydroxyflutamide" . . "t" . "bicalutamide" . "bicalutamide" . . "f" . "Ki16425" . "Ki16425" . . "t" . "nilutamide" . "nilutamide" . . "t" . "cyproterone acetate" . "cyproterone acetate" . . "t" . "prednisolone" . "prednisolone" . . "t" . "triamcinolone acetonide" . "triamcinolone acetonide" . . "t" . "cortisol" . "cortisol" . . "f" . "corticosterone" . "corticosterone" . . "t" . "triamcinolone" . "triamcinolone" . . "f" . "deoxycorticosterone" . "deoxycorticosterone" . . "f" . "aldosterone" . "aldosterone" . . "t" . "fludrocortisone" . "fludrocortisone" . . "t" . "drospirenone" . "drospirenone" . . "f" . "VPC32183" . "VPC32183" . . "f" . "VPC12249" . "VPC12249" . . "f" . "farnesyl diphosphate" . "farnesyl diphosphate" . . "f" . "neuropeptide W-30" . "neuropeptide W-30" . . "t" . "spironolactone" . "spironolactone" . . "t" . "eplerenone" . "eplerenone" . . "f" . "promegestone" . "promegestone" . . "t" . "dydrogesterone" . "dydrogesterone" . . "t" . "medroxyprogesterone" . "medroxyprogesterone" . . "f" . "farnesyl monophosphate" . "farnesyl monophosphate" . . "f" . "OMPT" . "OMPT" . . "f" . "alkyl OMPT" . "alkyl OMPT" . . "f" . "α-fluoromethylenephosphonate" . "α-fluoromethylenephosphonate" . . "f" . "dioctanoylglycerol pyrophosphate" . "dioctanoylglycerol pyrophosphate" . . "t" . "norethisterone" . "norethisterone" . . "t" . "levonorgestrel" . "levonorgestrel" . . "f" . "onapristone" . "onapristone" . . "f" . "asoprisnil" . "asoprisnil" . . "f" . "25-hydroxycholesterol" . "25-hydroxycholesterol" . . "f" . "almorexant" . "almorexant" . . "t" . "suvorexant" . "suvorexant" . . "f" . "JTE-013" . "JTE-013" . . "f" . "compound 4i [PMID: 2296036]" . "compound 4i [PMID: 2296036]" . . "f" . "compound 4d [PMID: 2296036]" . "compound 4d [PMID: 2296036]" . . "t" . "celecoxib" . "celecoxib" . . "t" . "rofecoxib" . "rofecoxib" . . "t" . "valdecoxib" . "valdecoxib" . . "t" . "parecoxib" . "parecoxib" . . "f" . "compound 4 [Balasubramanian et al., 1992]" . "compound 4 [Balasubramanian et al., 1992]" . . "f" . "compound 4ff [PMID: 1656041]" . "compound 4ff [PMID: 1656041]" . . "t" . "etoricoxib" . "etoricoxib" . . "t" . "lumiracoxib" . "lumiracoxib" . . "f" . "isothiourea-1t" . "isothiourea-1t" . . "f" . "isothiourea-1a" . "isothiourea-1a" . . "f" . "[3H]resolvin E1" . "[3H]resolvin E1" . . "f" . "TC14012" . "TC14012" . . "f" . "GSK4112" . "GSK4112" . . "f" . "SR8278" . "SR8278" . . "f" . "neuropeptide W-30" . "neuropeptide W-30" . . "f" . "kynurenic acid" . "kynurenic acid" . . "f" . "zaprinast" . "zaprinast" . . "f" . "pamoic acid" . "pamoic acid" . . "f" . "dihydrosphingosine 1-phosphate" . "dihydrosphingosine 1-phosphate" . . "f" . "phytosphingosine 1-phosphate" . "phytosphingosine 1-phosphate" . . "f" . "KRP 203-phosphate" . "KRP 203-phosphate" . . "f" . "fingolimod-phosphate" . "fingolimod-phosphate" . . "f" . "AUY954" . "AUY954" . . "f" . "SEW2871" . "SEW2871" . . "f" . "CYM5181" . "CYM5181" . . "f" . "CYM5442" . "CYM5442" . . "f" . "compound 26 [PMID: 16190743]" . "compound 26 [PMID: 16190743]" . . "f" . "VPC44116" . "VPC44116" . . "f" . "W146" . "W146" . . "f" . "L-lactic acid" . "L-lactic acid" . . "f" . "3-hydroxyoctanoic acid" . "3-hydroxyoctanoic acid" . . "f" . "D-lactic acid" . "D-lactic acid" . . "f" . "2-oleoyl-LPA" . "2-oleoyl-LPA" . . "f" . "AFD(R)" . "AFD(R)" . . "f" . "compound 6a [Patil et al., 1989]" . "compound 6a [Patil et al., 1989]" . . "f" . "compound 29 [PMID: 2296027]" . "compound 29 [PMID: 2296027]" . . "f" . "compound 25 [PMID: 2296027]" . "compound 25 [PMID: 2296027]" . . "t" . "lorcaserin" . "lorcaserin" . . "f" . "secretin" . "secretin" . . "f" . "NS11757" . "NS11757" . . "f" . "norrin" . "norrin" . . "f" . "etalocib" . "etalocib" . . "t" . "atorvastatin" . "atorvastatin" . . "t" . "cerivastatin" . "cerivastatin" . . "t" . "fluvastatin" . "fluvastatin" . . "t" . "pravastatin" . "pravastatin" . . "t" . "rosuvastatin" . "rosuvastatin" . . "t" . "simvastatin" . "simvastatin" . . "f" . "compound 3h [PMID: 8246234]" . "compound 3h [PMID: 8246234]" . . "f" . "atorvastatin lactone" . "atorvastatin lactone" . . "f" . "compound 9a [Patil et al., 1989]" . "compound 9a [Patil et al., 1989]" . . "f" . "compound 29f [PMID: 17560788]" . "compound 29f [PMID: 17560788]" . . "f" . "meglutol" . "meglutol" . . "f" . "compound 18 [PMID: 8426367]" . "compound 18 [PMID: 8426367]" . . "f" . "compound 6 [PMID: 7629799]" . "compound 6 [PMID: 7629799]" . . "f" . "compound 2g [PMID: 2296036]" . "compound 2g [PMID: 2296036]" . . "f" . "compound 2t [PMID: 2296036]" . "compound 2t [PMID: 2296036]" . . "f" . "BMY 22089" . "BMY 22089" . . "f" . "compound 17 [PMID: 3701793]" . "compound 17 [PMID: 3701793]" . . "f" . "compound 1 [PMID: 1895299]" . "compound 1 [PMID: 1895299]" . . "f" . "compound 3u [PMID: 2231594]" . "compound 3u [PMID: 2231594]" . . "f" . "compound 3q [PMID: 2231594]" . "compound 3q [PMID: 2231594]" . . "f" . "compound 3k [PMID: 2231594]" . "compound 3k [PMID: 2231594]" . . "f" . "compound 3j [PMID: 2231594]" . "compound 3j [PMID: 2231594]" . . "f" . "GLPDGG peptide [PMID: 20494585]" . "GLPDGG peptide [PMID: 20494585]" . . "f" . "BMY-21950" . "BMY-21950" . . "f" . "compound 74 [PMID: 1656041]" . "compound 74 [PMID: 1656041]" . . "f" . "compound 13 [PMID: 1992149]" . "compound 13 [PMID: 1992149]" . . "f" . "compound 9 [PMID: 1992149]" . "compound 9 [PMID: 1992149]" . . "f" . "compound 28 [PMID: 8246233]" . "compound 28 [PMID: 8246233]" . . "f" . "compound 1a [PMID: 2153213]" . "compound 1a [PMID: 2153213]" . . "f" . "compound 13b [PMID: 18412317]" . "compound 13b [PMID: 18412317]" . . "f" . "compound 1f [PMID: 2153213]" . "compound 1f [PMID: 2153213]" . . "f" . "compound 1e [PMID: 2153213]" . "compound 1e [PMID: 2153213]" . . "f" . "compound 5ab [PMID: 8246233]" . "compound 5ab [PMID: 8246233]" . . "f" . "compound 29 [PMID: 15686906]" . "compound 29 [PMID: 15686906]" . . "f" . "compound 18t [PMID: 8246237]" . "compound 18t [PMID: 8246237]" . . "f" . "compound 25d [PMID: 19502059]" . "compound 25d [PMID: 19502059]" . . "f" . "compound 35 [PMID: 8246233]" . "compound 35 [PMID: 8246233]" . . "f" . "compound 17 [PMID: 15686906]" . "compound 17 [PMID: 15686906]" . . "f" . "compound 42 [PMID: 17574411]" . "compound 42 [PMID: 17574411]" . . "f" . "compound 13g [PMID: 2153213]" . "compound 13g [PMID: 2153213]" . . "f" . "compound 2d [PMID: 2153213]" . "compound 2d [PMID: 2153213]" . . "f" . "compound 2c [PMID: 2153213]" . "compound 2c [PMID: 2153213]" . . "f" . "compound 13b [PMID: 2153213]" . "compound 13b [PMID: 2153213]" . . "f" . "compound 41 [PMID: 17574411]" . "compound 41 [PMID: 17574411]" . . "f" . "compound 2f [PMID: 2153213]" . "compound 2f [PMID: 2153213]" . . "f" . "compound 50 [PMID: 18072721]" . "compound 50 [PMID: 18072721]" . . "f" . "compound 1 [Patel et al., 1991]" . "compound 1 [Patel et al., 1991]" . . "f" . "compound 33 [PMID: 17574412]" . "compound 33 [PMID: 17574412]" . . "f" . "compound 16f [PMID: 18155906]" . "compound 16f [PMID: 18155906]" . . "f" . "5-ketodihydromevinolin" . "5-ketodihydromevinolin" . . "f" . "compound 11nn [PMID: 1656041]" . "compound 11nn [PMID: 1656041]" . . "f" . "compound 11jj [PMID: 1656041]" . "compound 11jj [PMID: 1656041]" . . "f" . "compound 11ff [PMID: 1656041]" . "compound 11ff [PMID: 1656041]" . . "f" . "compound 11dd [PMID: 1656041]" . "compound 11dd [PMID: 1656041]" . . "f" . "compound 6v [PMID: 1895299]" . "compound 6v [PMID: 1895299]" . . "f" . "compound 4p [PMID: 1895299]" . "compound 4p [PMID: 1895299]" . . "f" . "compound 7 [PMID: 2909732]" . "compound 7 [PMID: 2909732]" . . "f" . "DFGYVAE" . "DFGYVAE" . . "f" . "FPYVAE peptide [PMID: 20494585]" . "FPYVAE peptide [PMID: 20494585]" . . "f" . "SEA" . "SEA" . . "f" . "compound 18 [PMID: 1875346]" . "compound 18 [PMID: 1875346]" . . "f" . "compound 29 [PMID: 1527791]" . "compound 29 [PMID: 1527791]" . . "f" . "compound 9 [PMID: 7932551]" . "compound 9 [PMID: 7932551]" . . "f" . "mevastatin" . "mevastatin" . . "t" . "pitavastatin" . "pitavastatin" . . "f" . "dalvastatin" . "dalvastatin" . . "f" . "tenivastatin" . "tenivastatin" . . "f" . "acetyl CoA" . "acetyl CoA" . . "f" . "acetoacetyl CoA" . "acetoacetyl CoA" . . "f" . "(S)-3-hydroxy-3-methylglutaryl-CoA" . "(S)-3-hydroxy-3-methylglutaryl-CoA" . . "f" . "NADPH" . "NADPH" . . "f" . "(R)-mevalonate" . "(R)-mevalonate" . . "f" . "coenzyme A" . "coenzyme A" . . "f" . "NADP+" . "NADP+" . . "f" . "(R)-5-phosphomevalonate" . "(R)-5-phosphomevalonate" . . "f" . "(R)-5-diphosphomevalonate" . "(R)-5-diphosphomevalonate" . . "f" . "isopentenyl diphosphate" . "isopentenyl diphosphate" . . "f" . "dimethylallyl diphosphate" . "dimethylallyl diphosphate" . . "f" . "trans,trans-farnesyl diphosphate" . "trans,trans-farnesyl diphosphate" . . "f" . "geranyl diphosphate" . "geranyl diphosphate" . . "f" . "geranylgeranyl diphosphate" . "geranylgeranyl diphosphate" . . "f" . "presqualene diphosphate" . "presqualene diphosphate" . . "f" . "squalene" . "squalene" . . "f" . "(RS)-5-diphosphomevalonate" . "(RS)-5-diphosphomevalonate" . . "f" . "(RS)-mevalonate" . "(RS)-mevalonate" . . "f" . "zaragozic acid A" . "zaragozic acid A" . . "f" . "CP-294838" . "CP-294838" . . "t" . "ibandronic acid" . "ibandronic acid" . . "f" . "compound 2d [PMID: 7629799]" . "compound 2d [PMID: 7629799]" . . "f" . "compound 17 [Shechter et al., 1996]" . "compound 17 [Shechter et al., 1996]" . . "f" . "compound 20 [Shechter et al., 1996]" . "compound 20 [Shechter et al., 1996]" . . "f" . "compound 2e [PMID: 7629799]" . "compound 2e [PMID: 7629799]" . . "f" . "compound 1 [Overhand et al., 1997]" . "compound 1 [Overhand et al., 1997]" . . "f" . "compound 8 [Brinkman et al., 1996]" . "compound 8 [Brinkman et al., 1996]" . . "f" . "compound 7 [Brinkman et al., 1996]" . "compound 7 [Brinkman et al., 1996]" . . "f" . "L-731128" . "L-731128" . . "f" . "L-731120" . "L-731120" . . "f" . "J-104118" . "J-104118" . . "f" . "compound 18 [PMID: 18754614]" . "compound 18 [PMID: 18754614]" . . "f" . "compound 9 [PMID: 18754614]" . "compound 9 [PMID: 18754614]" . . "f" . "zaragozic acid C" . "zaragozic acid C" . . "f" . "compound 19 [PMID: 18754614]" . "compound 19 [PMID: 18754614]" . . "f" . "compound 10 [PMID: 18754614]" . "compound 10 [PMID: 18754614]" . . "f" . "compound 17 [PMID: 18754614]" . "compound 17 [PMID: 18754614]" . . "f" . "compound 4g [PMID: 17709461]" . "compound 4g [PMID: 17709461]" . . "f" . "compound 8 [PMID: 18754614]" . "compound 8 [PMID: 18754614]" . . "f" . "compound 7 [PMID: 18754614]" . "compound 7 [PMID: 18754614]" . . "f" . "compound 4 [PMID: 18754614]" . "compound 4 [PMID: 18754614]" . . "f" . "compound 5 [PMID: 18754614]" . "compound 5 [PMID: 18754614]" . . "f" . "compound 5d [PMID: 7966163]" . "compound 5d [PMID: 7966163]" . . "f" . "compound 6c [PMID: 7966163]" . "compound 6c [PMID: 7966163]" . . "f" . "compound 3a [PMID: 12238936]" . "compound 3a [PMID: 12238936]" . . "f" . "compound 6d [PMID: 7966163]" . "compound 6d [PMID: 7966163]" . . "f" . "compound 1e [Brown et al., 1997]" . "compound 1e [Brown et al., 1997]" . . "f" . "compound 4e [PMID: 7966163]" . "compound 4e [PMID: 7966163]" . . "f" . "compound 5d [PMID: 7966163]" . "compound 5d [PMID: 7966163]" . . "f" . "compound 15 [PMID: 8709131]" . "compound 15 [PMID: 8709131]" . . "f" . "compound 17 [PMID: 8709131]" . "compound 17 [PMID: 8709131]" . . "f" . "compound 4 [PMID: 8709131]" . "compound 4 [PMID: 8709131]" . . "f" . "compound 23 [PMID: 8709131]" . "compound 23 [PMID: 8709131]" . . "f" . "compound 11 [PMID: 7473541]" . "compound 11 [PMID: 7473541]" . . "f" . "compound 4 [Brinkman et al., 1996]" . "compound 4 [Brinkman et al., 1996]" . . "f" . "compound 5m [PMID: 9216829]" . "compound 5m [PMID: 9216829]" . . "f" . "compound 5j [PMID: 9216829]" . "compound 5j [PMID: 9216829]" . . "f" . "compound 7 [PMID: 8496919]" . "compound 7 [PMID: 8496919]" . . "f" . "SQ-34919" . "SQ-34919" . . "f" . "compound 2a (+) [PMID: 8709131]" . "compound 2a (+) [PMID: 8709131]" . . "f" . "NB-598" . "NB-598" . . "f" . "E5700" . "E5700" . . "f" . "compound 1c [Brown et al., 1997]" . "compound 1c [Brown et al., 1997]" . . "f" . "compound 14 [PMID: 9871507]" . "compound 14 [PMID: 9871507]" . . "f" . "compound 16a [Sharratt et al., 1994]" . "compound 16a [Sharratt et al., 1994]" . . "f" . "compound 4q [PMID: 7650673]" . "compound 4q [PMID: 7650673]" . . "f" . "compound 1 [PMID: 8496942]" . "compound 1 [PMID: 8496942]" . . "f" . "J-104123" . "J-104123" . . "f" . "compound 3f [PMID: 12238936]" . "compound 3f [PMID: 12238936]" . . "f" . "compound 19 [PMID: 7473541]" . "compound 19 [PMID: 7473541]" . . "f" . "compound 28 [PMID: 7473541]" . "compound 28 [PMID: 7473541]" . . "f" . "compound 20 [PMID: 7473541]" . "compound 20 [PMID: 7473541]" . . "f" . "compound 21 [PMID: 7473541]" . "compound 21 [PMID: 7473541]" . . "f" . "YM-75440" . "YM-75440" . . "f" . "compound 3f [PMID: 7966163]" . "compound 3f [PMID: 7966163]" . . "f" . "L-735021" . "L-735021" . . "f" . "compound 6g [PMID: 7966163]" . "compound 6g [PMID: 7966163]" . . "f" . "compound 21 [PMID: 19191557]" . "compound 21 [PMID: 19191557]" . . "f" . "compound 15 [PMID: 19456099]" . "compound 15 [PMID: 19456099]" . . "f" . "BPH-830" . "BPH-830" . . "f" . "compound 35 [PMID: 19191557]" . "compound 35 [PMID: 19191557]" . . "f" . "compound 32 [PMID: 19191557]" . "compound 32 [PMID: 19191557]" . . "f" . "compound 19 [PMID: 19191557]" . "compound 19 [PMID: 19191557]" . . "f" . "compound 14 [PMID: 19191557]" . "compound 14 [PMID: 19191557]" . . "f" . "compound 3 [PMID: 19191557]" . "compound 3 [PMID: 19191557]" . . "f" . "compound 13 [PMID: 19456099]" . "compound 13 [PMID: 19456099]" . . "f" . "compound 8 [PMID: 19191557]" . "compound 8 [PMID: 19191557]" . . "f" . "compound 4 [PMID: 8576905]" . "compound 4 [PMID: 8576905]" . . "f" . "compound 12 [Wattanasin et al.,1997]" . "compound 12 [Wattanasin et al.,1997]" . . "f" . "compound 15 [Biller et al., 1993]" . "compound 15 [Biller et al., 1993]" . . "f" . "compound 6 [Biller et al., 1991]" . "compound 6 [Biller et al., 1991]" . . "f" . "compound 20 [PMID: 20299227]" . "compound 20 [PMID: 20299227]" . . "f" . "compound 12 [PMID: 20299227]" . "compound 12 [PMID: 20299227]" . . "f" . "1-allyl-2-[3-(isopropylamino)propoxy]-9H-xanthen-9-one" . "1-allyl-2-[3-(isopropylamino)propoxy]-9H-xanthen-9-one" . . "f" . "1-allyl-2-[3-(isopropylamino)propoxy]-9H-carbazole" . "1-allyl-2-[3-(isopropylamino)propoxy]-9H-carbazole" . . "t" . "alendronate" . "alendronate" . . "f" . "FR-49175" . "FR-49175" . . "f" . "diphosphoric acid" . "diphosphoric acid" . . "f" . "compound 31 [PMID: 17963374]" . "compound 31 [PMID: 17963374]" . . "f" . "NE58027" . "NE58027" . . "f" . "compound 2 [PMID: 18295483]" . "compound 2 [PMID: 18295483]" . . "f" . "NE11808" . "NE11808" . . "f" . "minodronic acid" . "minodronic acid" . . "f" . "NE10790" . "NE10790" . . "f" . "NE58062" . "NE58062" . . "f" . "NE58018" . "NE58018" . . "f" . "compound 5e [PMID: 17975902]" . "compound 5e [PMID: 17975902]" . . "f" . "NE97220" . "NE97220" . . "f" . "cimadronate" . "cimadronate" . . "f" . "geranyl biphosphonate" . "geranyl biphosphonate" . . "t" . "risedronate" . "risedronate" . . "f" . "SB357134" . "SB357134" . . "t" . "zoledronic acid" . "zoledronic acid" . . "f" . "NE58043" . "NE58043" . . "f" . "piridronic acid" . "piridronic acid" . . "f" . "NE10575" . "NE10575" . . "f" . "compound 51 [PMID: 18800762]" . "compound 51 [PMID: 18800762]" . . "f" . "digeranyl bisphosphonate" . "digeranyl bisphosphonate" . . "f" . "BPH-628" . "BPH-628" . . "f" . "BPH-742" . "BPH-742" . . "f" . "compound 11 [PMID: 18800762]" . "compound 11 [PMID: 18800762]" . . "f" . "compound 12 [PMID: 12014956]" . "compound 12 [PMID: 12014956]" . . "f" . "compound 19 [PMID: 18800762]" . "compound 19 [PMID: 18800762]" . . "f" . "compound 14 [PMID: 18800762]" . "compound 14 [PMID: 18800762]" . . "f" . "compound 16 [PMID: 18800762]" . "compound 16 [PMID: 18800762]" . . "f" . "BPH-715" . "BPH-715" . . "f" . "compound 47 [PMID: 18800762]" . "compound 47 [PMID: 18800762]" . . "f" . "BPH-252" . "BPH-252" . . "f" . "3-azageranylgeranyl diphosphate" . "3-azageranylgeranyl diphosphate" . . "f" . "(2E, 6E)-farnesylbisphosphonate" . "(2E, 6E)-farnesylbisphosphonate" . . "f" . "3-hydroxy-3-methyl-6-phosphohexanoic acid" . "3-hydroxy-3-methyl-6-phosphohexanoic acid" . . "f" . "cinnamic acid" . "cinnamic acid" . . "f" . "2-fluoromevalonate 5-diphosphate" . "2-fluoromevalonate 5-diphosphate" . . "f" . "6-fluoromevalonate 5-diphosphate" . "6-fluoromevalonate 5-diphosphate" . . "f" . "diphosphoglycolyl proline" . "diphosphoglycolyl proline" . . "f" . "Wnt-8a" . "Wnt-8a" . . "f" . "P'-geranyl 2-fluoromevalonate 5-diphosphate" . "P'-geranyl 2-fluoromevalonate 5-diphosphate" . . "f" . "P'-geranyl 3,5,7-trihydroxy-3-methylheptanate 7-diphosphate" . "P'-geranyl 3,5,7-trihydroxy-3-methylheptanate 7-diphosphate" . . "f" . "P'-geranyl 3,5,8-trihydroxy-3-methyloctanate 8-diphosphate" . "P'-geranyl 3,5,8-trihydroxy-3-methyloctanate 8-diphosphate" . . "f" . "compound 19 [PMID: 17888661]" . "compound 19 [PMID: 17888661]" . . "f" . "compound 18 [PMID: 17888661]" . "compound 18 [PMID: 17888661]" . . "f" . "2,2-difluoromevalonate 5-diphosphate" . "2,2-difluoromevalonate 5-diphosphate" . . "f" . "dolichol phosphate" . "dolichol phosphate" . . "f" . "farnesol" . "farnesol" . . "f" . "farnesyl thiodiphosphate" . "farnesyl thiodiphosphate" . . "f" . "E6801" . "E6801" . . "f" . "(R)-UH 301" . "(R)-UH 301" . . "f" . "[3H]N-methyl-AZ10419369" . "[3H]N-methyl-AZ10419369" . . "f" . "CP94253" . "CP94253" . . "f" . "FR260010" . "FR260010" . . "f" . "NAS181" . "NAS181" . . "f" . "p-[18F]MPPF" . "p-[18F]MPPF" . . "f" . "PNU109291" . "PNU109291" . . "f" . "[3H]fananserin" . "[3H]fananserin" . . "f" . "RS67506" . "RS67506" . . "f" . "SB236057" . "SB236057" . . "f" . "SB258585" . "SB258585" . . "f" . "SB269970" . "SB269970" . . "f" . "WAY-181187" . "WAY-181187" . . "f" . "SB399885" . "SB399885" . . "f" . "[18F]altanserin" . "[18F]altanserin" . . "f" . "[123I]SB 207710" . "[123I]SB 207710" . . "f" . "[11C]SB207145" . "[11C]SB207145" . . "f" . "[125I]SB258585" . "[125I]SB258585" . . "f" . "[3H]Ro 63-0563" . "[3H]Ro 63-0563" . . "f" . "[3H]SB269970" . "[3H]SB269970" . . "f" . "[3H]5-HT" . "[3H]5-HT" . . "f" . "[11C]volinanserin" . "[11C]volinanserin" . . "f" . "[125I]GTI" . "[125I]GTI" . . "f" . "[3H]WAY100635" . "[3H]WAY100635" . . "f" . "[11C]WAY100635" . "[11C]WAY100635" . . "f" . "THRX160209" . "THRX160209" . . "f" . "VU0152099" . "VU0152099" . . "f" . "VU0238429" . "VU0238429" . . "f" . "TBPB" . "TBPB" . . "f" . "VU0090157" . "VU0090157" . . "f" . "3-quinuclidinyl-benzilate" . "3-quinuclidinyl-benzilate" . . "f" . "VU0029767" . "VU0029767" . . "f" . "LY2033298" . "LY2033298" . . "f" . "VU0152100" . "VU0152100" . . "f" . "AFDX384" . "AFDX384" . . "f" . "[18F]FP-TZTP" . "[18F]FP-TZTP" . . "f" . "[11C]butylthio-TZTP" . "[11C]butylthio-TZTP" . . "f" . "77-LH-28-1" . "77-LH-28-1" . . "f" . "[3H]pirenzepine" . "[3H]pirenzepine" . . "f" . "VU0255035" . "VU0255035" . . "f" . "[18F](R,R)-quinuclidinyl-4-fluoromethyl-benzilate" . "[18F](R,R)-quinuclidinyl-4-fluoromethyl-benzilate" . . "f" . "guanylpirenzepine" . "guanylpirenzepine" . . "f" . "[11C]xanomeline" . "[11C]xanomeline" . . "f" . "XAC-BY630" . "XAC-BY630" . . "f" . "VUF5574" . "VUF5574" . . "f" . "derenofylline" . "derenofylline" . . "f" . "SCH442416" . "SCH442416" . . "f" . "PSB603" . "PSB603" . . "f" . "PSB36" . "PSB36" . . "f" . "PSB1115" . "PSB1115" . . "f" . "MRS1706" . "MRS1706" . . "f" . "GR79236" . "GR79236" . . "f" . "BAY 60-6583" . "BAY 60-6583" . . "f" . "apadenoson" . "apadenoson" . . "f" . "[Arg16]chicken secretin" . "[Arg16]chicken secretin" . . "f" . "[125I]L750667" . "[125I]L750667" . . "f" . "[3H]7-OH-DPAT" . "[3H]7-OH-DPAT" . . "f" . "[3H]NGD941" . "[3H]NGD941" . . "f" . "[3H]PD128907" . "[3H]PD128907" . . "f" . "[3H]raclopride" . "[3H]raclopride" . . "f" . "[3H]spiperone" . "[3H]spiperone" . . "f" . "A412997" . "A412997" . . "f" . "L741742" . "L741742" . . "f" . "L745870" . "L745870" . . "f" . "ecopipam" . "ecopipam" . . "f" . "M65" . "M65" . . "f" . "oleanolic acid" . "oleanolic acid" . . "t" . "cinacalcet" . "cinacalcet" . . "f" . "L-aspartic acid" . "L-aspartic acid" . . "f" . "L-histidine" . "L-histidine" . . "f" . "L-isoleucine" . "L-isoleucine" . . "f" . "L-leucine" . "L-leucine" . . "f" . "L-phenylalanine" . "L-phenylalanine" . . "f" . "L-proline" . "L-proline" . . "f" . "AM1241" . "AM1241" . . "f" . "AM251" . "AM251" . . "t" . "zafirlukast" . "zafirlukast" . . "f" . "VU0155041" . "VU0155041" . . "f" . "VPC23019" . "VPC23019" . . "f" . "U75302" . "U75302" . . "THPG" . "THPG" . . "f" . "sulukast" . "sulukast" . . "f" . "SR2640" . "SR2640" . . "f" . "SC46275" . "SC46275" . . "f" . "I-SAP" . "I-SAP" . . "f" . "resolvin E1" . "resolvin E1" . . "f" . "pobilukast" . "pobilukast" . . "f" . "PCCG-4" . "PCCG-4" . . "f" . "MTEP" . "MTEP" . . "f" . "MRS2690" . "MRS2690" . . "f" . "MRS2365" . "MRS2365" . . "f" . "butaprost" . "butaprost" . . "f" . "Wnt-8b" . "Wnt-8b" . . "t" . "montelukast" . "montelukast" . . "f" . "MMPIP" . "MMPIP" . . "t" . "midazolam" . "midazolam" . . "f" . "methoxy-MPEP" . "methoxy-MPEP" . . "f" . "methoxymethyl-MTEP" . "methoxymethyl-MTEP" . . "f" . "LY456236" . "LY456236" . . "f" . "LY456066" . "LY456066" . . "f" . "LY389795" . "LY389795" . . "f" . "LY307452" . "LY307452" . . "f" . "LY255283" . "LY255283" . . "f" . "LTE4" . "LTE4" . . "f" . "LTD4" . "LTD4" . . "f" . "LTC4" . "LTC4" . . "f" . "BGC201531" . "BGC201531" . . "f" . "[3H]LTB4" . "[3H]LTB4" . . "f" . "[3H]ICI-198615" . "[3H]ICI-198615" . . "f" . "Wnt-9a" . "Wnt-9a" . . "f" . "laropiprant" . "laropiprant" . . "f" . "L902688" . "L902688" . . "f" . "ICI198615" . "ICI198615" . . "f" . "homo-AMPA" . "homo-AMPA" . . "f" . "GW848687X" . "GW848687X" . . "f" . "EPA" . "EPA" . . "f" . "EM-TBPC" . "EM-TBPC" . . "t" . "diazepam" . "diazepam" . . "f" . "DH97" . "DH97" . . "f" . "compound B [PMID:18477808]" . "compound B [PMID:18477808]" . . "f" . "CP105696" . "CP105696" . . "t" . "chlordiazepoxide" . "chlordiazepoxide" . . "f" . "CBiPES" . "CBiPES" . . "f" . "BAYu9773" . "BAYu9773" . . "f" . "ATLa2" . "ATLa2" . . "f" . "ARL66096" . "ARL66096" . . "f" . "AMMTC" . "AMMTC" . . "f" . "AL12180" . "AL12180" . . "f" . "AGN192093" . "AGN192093" . . "f" . "ACDPP" . "ACDPP" . . "f" . "5S-HETE" . "5S-HETE" . . "f" . "5-oxo-ETE" . "5-oxo-ETE" . . "f" . "5-oxo-C20:3" . "5-oxo-C20:3" . . "f" . "5MCA-NAT" . "5MCA-NAT" . . "f" . "3,5-dimethyl PPP" . "3,5-dimethyl PPP" . . "f" . "2-thioUTP" . "2-thioUTP" . . "f" . "20-hydroxy-LTB4" . "20-hydroxy-LTB4" . . "f" . "15S-HETE" . "15S-HETE" . . "f" . "15-deoxy-LXA4" . "15-deoxy-LXA4" . . "f" . "12S-HETE" . "12S-HETE" . . "f" . "12R-HETE" . "12R-HETE" . . "f" . "[35S]dATPαS" . "[35S]dATPαS" . . "f" . "[35S]ATPαS" . "[35S]ATPαS" . . "f" . "[35S]ADPβS" . "[35S]ADPβS" . . "f" . "[3H]LXA4" . "[3H]LXA4" . . "f" . "[3H]LTD4" . "[3H]LTD4" . . "f" . "PTHrP-(107-139)" . "PTHrP-(107-139)" . . "f" . "[3H](+)-fluprostenol" . "[3H](+)-fluprostenol" . . "f" . "[11C]JNJ-16567083" . "[11C]JNJ-16567083" . . "f" . "(S)-TBPG" . "(S)-TBPG" . . "f" . "(S)-4-CMTB" . "(S)-4-CMTB" . . "f" . "(S)-(+)-CBPG" . "(S)-(+)-CBPG" . . "f" . "chemerin C-terminal peptide" . "chemerin C-terminal peptide" . . "f" . "AS604872" . "AS604872" . . "f" . "L659989" . "L659989" . . "f" . "methylcarbamyl PAF" . "methylcarbamyl PAF" . . "f" . "[3H](R)-(-)-baclofen" . "[3H](R)-(-)-baclofen" . . "f" . "[3H]CGP 62349" . "[3H]CGP 62349" . . "f" . "AHPN" . "AHPN" . . "f" . "7-hydroxycholesterol" . "7-hydroxycholesterol" . . "f" . "LE135" . "LE135" . . "f" . "20S-hydroxycholesterol" . "20S-hydroxycholesterol" . . "t" . "obeticholic acid" . "obeticholic acid" . . "f" . "[3H]methyltrienolone" . "[3H]methyltrienolone" . . "f" . "methyl-piperidino-pyrazole" . "methyl-piperidino-pyrazole" . . "f" . "PHTPP" . "PHTPP" . . "f" . "orexin-B" . "orexin-B" . . "t" . "ciprofibrate" . "ciprofibrate" . . "t" . "gemfibrozil" . "gemfibrozil" . . "f" . "GW6471" . "GW6471" . . "f" . "GSK0660" . "GSK0660" . . "f" . "GW9662" . "GW9662" . . "f" . "CDDO-Me" . "CDDO-Me" . . "f" . "T0070907" . "T0070907" . . "f" . "RU28362" . "RU28362" . . "f" . "RU26988" . "RU26988" . . "f" . "[3H]dexamethasone" . "[3H]dexamethasone" . . "f" . "ZK112993" . "ZK112993" . . "f" . "deoxycortisone" . "deoxycortisone" . . "f" . "RU28318" . "RU28318" . . "f" . "[3H]aldosterone" . "[3H]aldosterone" . . "f" . "ORG2058" . "ORG2058" . . "f" . "[3H]ORG2058" . "[3H]ORG2058" . . "f" . "[3H]dihydrotestosterone" . "[3H]dihydrotestosterone" . . "f" . "[3H]mibolerone" . "[3H]mibolerone" . . "f" . "CL316243" . "CL316243" . . "f" . "L748328" . "L748328" . . "t" . "procaterol" . "procaterol" . . "t" . "formoterol" . "formoterol" . . "f" . "zinterol" . "zinterol" . . "f" . "L742791" . "L742791" . . "f" . "SB251023" . "SB251023" . . "f" . "dabuzalgron" . "dabuzalgron" . . "f" . "imiloxan" . "imiloxan" . . "f" . "[125I]L703,606" . "[125I]L703,606" . . "f" . "[125I]PD142308" . "[125I]PD142308" . . "f" . "[18F]SPA-RQ" . "[18F]SPA-RQ" . . "f" . "[3H]BIBP3226" . "[3H]BIBP3226" . . "f" . "[3H]enadoline" . "[3H]enadoline" . . "f" . "[3H]devazepide" . "[3H]devazepide" . . "f" . "[3H]L365260" . "[3H]L365260" . . "f" . "[3H]PD140376" . "[3H]PD140376" . . "f" . "[3H]S0139" . "[3H]S0139" . . "f" . "[3H]osanetant" . "[3H]osanetant" . . "f" . "[3H]saredutant" . "[3H]saredutant" . . "f" . "[3H]relcovaptan" . "[3H]relcovaptan" . . "f" . "[3H]nelivaptan" . "[3H]nelivaptan" . . "f" . "[35S]non-peptide OT antagonist" . "[35S]non-peptide OT antagonist" . . "f" . "2,3-dihydro-1,4-dithiin-1,1,4,4-tetroxide" . "2,3-dihydro-1,4-dithiin-1,1,4,4-tetroxide" . . "f" . "atrasentan" . "atrasentan" . . "f" . "antalarmin" . "antalarmin" . . "t" . "aprepitant" . "aprepitant" . . "f" . "BAY27-9955" . "BAY27-9955" . . "f" . "BMS compound 87b" . "BMS compound 87b" . . "t" . "bosentan" . "bosentan" . . "f" . "CP 154,526" . "CP 154,526" . . "f" . "RWJ-56110" . "RWJ-56110" . . "f" . "CP 376,395" . "CP 376,395" . . "f" . "CP-481,715" . "CP-481,715" . . "f" . "CRA1000" . "CRA1000" . . "f" . "DMP696" . "DMP696" . . "f" . "E913" . "E913" . . "f" . "FL104" . "FL104" . . "f" . "GSK Compound 34" . "GSK Compound 34" . . "f" . "GV150013" . "GV150013" . . "f" . "JNJ-5207787" . "JNJ-5207787" . . "f" . "L-168,049" . "L-168,049" . . "f" . "darusentan" . "darusentan" . . "f" . "LY262691" . "LY262691" . . "f" . "lanepitant" . "lanepitant" . . "f" . "mitemcinal" . "mitemcinal" . . "f" . "NBI27914" . "NBI27914" . . "f" . "NNC269100" . "NNC269100" . . "f" . "NNC 92-1687" . "NNC 92-1687" . . "f" . "palosuran" . "palosuran" . . "f" . "PD164333" . "PD164333" . . "f" . "R121919" . "R121919" . . "f" . "RP67580" . "RP67580" . . "f" . "RP73870" . "RP73870" . . "f" . "R-PSOP" . "R-PSOP" . . "f" . "SB209670" . "SB209670" . . "f" . "SB290157" . "SB290157" . . "f" . "SB328437" . "SB328437" . . "f" . "SB-611812" . "SB-611812" . . "f" . "SSR125543A" . "SSR125543A" . . "t" . "sufentanil" . "sufentanil" . . "f" . "ulimorelin" . "ulimorelin" . . "f" . "UCB35625" . "UCB35625" . . "f" . "VNA932" . "VNA932" . . "f" . "β-endorphin" . "β-endorphin" . . "f" . "zibotentan" . "zibotentan" . . "f" . "glucagon-like peptide 2" . "glucagon-like peptide 2" . . "f" . "glucagon-like peptide 2-(3-33)" . "glucagon-like peptide 2-(3-33)" . . "f" . "gastric inhibitory polypeptide" . "gastric inhibitory polypeptide" . . "f" . "gastric inhibitory polypeptide" . "gastric inhibitory polypeptide" . . "f" . "glucagon-like peptide 1-(7-37)" . "glucagon-like peptide 1-(7-37)" . . "f" . "urocortin 2" . "urocortin 2" . . "f" . "endothelin-2" . "endothelin-2" . . "f" . "Wnt-4" . "Wnt-4" . . "f" . "Wnt-5a" . "Wnt-5a" . . "f" . "Wnt-3a" . "Wnt-3a" . . "f" . "CCK-33" . "CCK-33" . . "f" . "CCK-33" . "CCK-33" . . "f" . "CCK-58" . "CCK-58" . . "f" . "CCK-58" . "CCK-58" . . "f" . "CCK-58" . "CCK-58" . . "f" . "apelin-36" . "apelin-36" . . "f" . "apelin-17" . "apelin-17" . . "f" . "gastrin-6" . "gastrin-6" . . "f" . "desulfated gastrin-14" . "desulfated gastrin-14" . . "f" . "gastrin-17" . "gastrin-17" . . "f" . "gastrin-17" . "gastrin-17" . . "f" . "gastrin-17" . "gastrin-17" . . "f" . "gastrin-34" . "gastrin-34" . . "f" . "gastrin-34" . "gastrin-34" . . "f" . "gastrin-34" . "gastrin-34" . . "f" . "gastrin-52" . "gastrin-52" . . "f" . "gastrin-71" . "gastrin-71" . . "f" . "annexin I" . "annexin I" . . "f" . "annexin I" . "annexin I" . . "f" . "cathepsin G" . "cathepsin G" . . "f" . "cathepsin G" . "cathepsin G" . . "f" . "cathepsin G" . "cathepsin G" . . "f" . "F2L" . "F2L" . . "f" . "C5a" . "C5a" . . "f" . "C5a" . "C5a" . . "f" . "[Hyp3]bradykinin" . "[Hyp3]bradykinin" . . "f" . "gastrin-releasing peptide" . "gastrin-releasing peptide" . . "f" . "Lys-[Hyp3]-bradykinin" . "Lys-[Hyp3]-bradykinin" . . "f" . "gastrin-releasing peptide" . "gastrin-releasing peptide" . . "f" . "GRP-(18-27)" . "GRP-(18-27)" . . "f" . "GRP-(18-27)" . "GRP-(18-27)" . . "f" . "calcitonin" . "calcitonin" . . "f" . "β-CGRP" . "β-CGRP" . . "f" . "adrenomedullin 2/intermedin" . "adrenomedullin 2/intermedin" . . "f" . "adrenomedullin 2/intermedin" . "adrenomedullin 2/intermedin" . . "f" . "galanin" . "galanin" . . "f" . "galanin-like peptide" . "galanin-like peptide" . . "f" . "galanin-like peptide" . "galanin-like peptide" . . "f" . "galanin-like peptide" . "galanin-like peptide" . . "f" . "ghrelin" . "ghrelin" . . "f" . "[des-octanoyl]ghrelin" . "[des-octanoyl]ghrelin" . . "f" . "GHRH" . "GHRH" . . "f" . "GHRH" . "GHRH" . . "f" . "β-MSH" . "β-MSH" . . "f" . "β-MSH" . "β-MSH" . . "f" . "β-MSH" . "β-MSH" . . "f" . "agouti" . "agouti" . . "f" . "agouti-related protein" . "agouti-related protein" . . "f" . "neuromedin U-23" . "neuromedin U-23" . . "f" . "N-palmitoylethanolamine" . "N-palmitoylethanolamine" . . "f" . "oleoyl-lysophosphatidylcholine" . "oleoyl-lysophosphatidylcholine" . . "f" . "TIP39" . "TIP39" . . "f" . "neuromedin N" . "neuromedin N" . . "f" . "pancreatic polypeptide" . "pancreatic polypeptide" . . "f" . "neuropeptide Y-(3-36)" . "neuropeptide Y-(3-36)" . . "f" . "neuropeptide B-23" . "neuropeptide B-23" . . "f" . "neuropeptide B-23" . "neuropeptide B-23" . . "f" . "neuropeptide B-29" . "neuropeptide B-29" . . "f" . "PTH" . "PTH" . . "t" . "ACTH" . "ACTH" . . "t" . "pranlukast" . "pranlukast" . . "f" . "N-arachidonoylglycine" . "N-arachidonoylglycine" . . "f" . "α-ketoglutaric acid" . "α-ketoglutaric acid" . . "f" . "succinic acid" . "succinic acid" . . "f" . "phosphatidylserine" . "phosphatidylserine" . . "f" . "[125I][MePhe7]NKB" . "[125I][MePhe7]NKB" . . "t" . "levodopa" . "levodopa" . . "f" . "C3a" . "C3a" . . "t" . "secretin" . "secretin" . . "f" . "secretin" . "secretin" . . "f" . "CXCL13" . "CXCL13" . . "f" . "CCL27" . "CCL27" . . "f" . "XCL1" . "XCL1" . . "f" . "beta-defensin 4A" . "beta-defensin 4A" . . "f" . "CCL28" . "CCL28" . . "f" . "[125I][Tyr8]bradykinin" . "[125I][Tyr8]bradykinin" . . "f" . "MRK-1" . "MRK-1" . . "f" . "[125I]CCL17 (human)" . "[125I]CCL17 (human)" . . "f" . "[125I]CCL27 (human)" . "[125I]CCL27 (human)" . . "f" . "[125I]CCL20 (human)" . "[125I]CCL20 (human)" . . "f" . "[125I]CCL19 (human)" . "[125I]CCL19 (human)" . . "f" . "[125I]CCL21 (human)" . "[125I]CCL21 (human)" . . "f" . "[125I]CCL25 (human)" . "[125I]CCL25 (human)" . . "f" . "[125I]CXCL7 (human)" . "[125I]CXCL7 (human)" . . "f" . "[125I]CXCL5 (human)" . "[125I]CXCL5 (human)" . . "f" . "[125I]CXCL10 (human)" . "[125I]CXCL10 (human)" . . "f" . "[125I]CXCL11 (human)" . "[125I]CXCL11 (human)" . . "f" . "[125I]CXCL16 (human)" . "[125I]CXCL16 (human)" . . "f" . "[125I]CX3CL1 (human)" . "[125I]CX3CL1 (human)" . . "f" . "QRFP43 (43RFa)" . "QRFP43 (43RFa)" . . "f" . "neuropeptide γ" . "neuropeptide γ" . . "f" . "endomorphin-2" . "endomorphin-2" . . "f" . "big dynorphin" . "big dynorphin" . . "f" . "PTHrP-(107-139)" . "PTHrP-(107-139)" . . "f" . "PTHrP-(38-94)" . "PTHrP-(38-94)" . . "f" . "Wnt-1" . "Wnt-1" . . "f" . "Wnt-2" . "Wnt-2" . . "f" . "Wnt-2b" . "Wnt-2b" . . "f" . "Wnt-3" . "Wnt-3" . . "f" . "Wnt-5b" . "Wnt-5b" . . "f" . "[125I]CXCL1 (human)" . "[125I]CXCL1 (human)" . . "f" . "Wnt-6" . "Wnt-6" . . "f" . "Wnt-7a" . "Wnt-7a" . . "f" . "CXCL14" . "CXCL14" . . "f" . "Wnt-7b" . "Wnt-7b" . . "f" . "CXCL4" . "CXCL4" . . "f" . "Wnt-9b" . "Wnt-9b" . . "f" . "Wnt-10b" . "Wnt-10b" . . "f" . "Wnt-11" . "Wnt-11" . . "f" . "Wnt-16" . "Wnt-16" . . "f" . "sFRP-1" . "sFRP-1" . . "f" . "sFRP-2" . "sFRP-2" . . "f" . "sFRP-3" . "sFRP-3" . . "f" . "sFRP-4" . "sFRP-4" . . "f" . "compound 2b-1 [PMID: 12614873]" . "compound 2b-1 [PMID: 12614873]" . . "f" . "R-spondin-1" . "R-spondin-1" . . "f" . "R-spondin-2" . "R-spondin-2" . . "f" . "R-spondin-3" . "R-spondin-3" . . "f" . "R-spondin-4" . "R-spondin-4" . . "f" . "Dickkopf 1" . "Dickkopf 1" . . "f" . "kremen 1" . "kremen 1" . . "f" . "kremen 2" . "kremen 2" . . "f" . "sclerostin" . "sclerostin" . . "f" . "PHV" . "PHV" . . "f" . "kisspeptin-52" . "kisspeptin-52" . . "f" . "kisspeptin-52" . "kisspeptin-52" . . "f" . "kisspeptin-10" . "kisspeptin-10" . . "f" . "QRFP43" . "QRFP43" . . "f" . "QRFP43" . "QRFP43" . . "f" . "prokineticin-1" . "prokineticin-1" . . "f" . "prokineticin-1" . "prokineticin-1" . . "f" . "prokineticin-2" . "prokineticin-2" . . "f" . "PTHrP-(107-139)" . "PTHrP-(107-139)" . . "f" . "desulfated cholecystokinin-8" . "desulfated cholecystokinin-8" . . "f" . "adiponectin" . "adiponectin" . . "f" . "globular adiponectin" . "globular adiponectin" . . "f" . "ribosomal protein S19" . "ribosomal protein S19" . . "f" . "cytokine domain of tyrosyl tRNA synthetase" . "cytokine domain of tyrosyl tRNA synthetase" . . "f" . "exendin-3" . "exendin-3" . . "f" . "glycoprotein hormone common alpha subunit" . "glycoprotein hormone common alpha subunit" . . "f" . "LH β subunit" . "LH β subunit" . . "f" . "FSH β subunit" . "FSH β subunit" . . "f" . "TSH β subunit" . "TSH β subunit" . . "f" . "neuropeptide AF" . "neuropeptide AF" . . "f" . "neuropeptide SF" . "neuropeptide SF" . . "f" . "α-neodynorphin" . "α-neodynorphin" . . "f" . "PTHrP" . "PTHrP" . . "f" . "GYPGQV-NH2" . "GYPGQV-NH2" . . "f" . "SLIGKV-NH2" . "SLIGKV-NH2" . . "f" . "SLIGRL-NH2" . "SLIGRL-NH2" . . "f" . "TFLLR-NH2" . "TFLLR-NH2" . . "f" . "relaxin-1 (B chain)" . "relaxin-1 (B chain)" . . "f" . "relaxin-1 (A chain)" . "relaxin-1 (A chain)" . . "f" . "relaxin (B chain)" . "relaxin (B chain)" . . "f" . "relaxin (A chain)" . "relaxin (A chain)" . . "f" . "relaxin-3 (A chain)" . "relaxin-3 (A chain)" . . "f" . "INSL3 (B chain)" . "INSL3 (B chain)" . . "f" . "INSL3 (A chain)" . "INSL3 (A chain)" . . "f" . "INSL5 (B chain)" . "INSL5 (B chain)" . . "f" . "INSL5 (A chain)" . "INSL5 (A chain)" . . "f" . "(des 1-8) A-chain INSL3 analogue" . "(des 1-8) A-chain INSL3 analogue" . . "f" . "[(CH2NH)4,5]secretin" . "[(CH2NH)4,5]secretin" . . "f" . "[111In]DOTA-dLVT" . "[111In]DOTA-dLVT" . . "f" . "[125I](Tyr10)secretin-27 (rat)" . "[125I](Tyr10)secretin-27 (rat)" . . "f" . "[125I][Ala1,3,11,15]ET-1" . "[125I][Ala1,3,11,15]ET-1" . . "f" . "[125I][Glp65Nle75,Tyr77]apelin-13" . "[125I][Glp65Nle75,Tyr77]apelin-13" . . "f" . "[125I][Leu31,Pro34]NPY" . "[125I][Leu31,Pro34]NPY" . . "f" . "[125I]αCGRP (human)" . "[125I]αCGRP (human)" . . "f" . "[125I]BH-[Sar9,Met(O2)11]SP" . "[125I]BH-[Sar9,Met(O2)11]SP" . . "f" . "[125I]BH-AMY (rat, mouse)" . "[125I]BH-AMY (rat, mouse)" . . "f" . "[125I]BH-NMB (human, mouse, rat)" . "[125I]BH-NMB (human, mouse, rat)" . . "f" . "[125I]C3a (human)" . "[125I]C3a (human)" . . "f" . "[125I]C5a (human)" . "[125I]C5a (human)" . . "f" . "[125I]chorionic gonadotropin (human)" . "[125I]chorionic gonadotropin (human)" . . "f" . "[125I]CT (human)" . "[125I]CT (human)" . . "f" . "[125I]CT (salmon)" . "[125I]CT (salmon)" . . "f" . "[125I]d(CH2)5[Tyr(Me)2,Thr4,Orn8,Tyr-NH29]OVT" . "[125I]d(CH2)5[Tyr(Me)2,Thr4,Orn8,Tyr-NH29]OVT" . . "f" . "[125I]FSH (human)" . "[125I]FSH (human)" . . "f" . "[125I]gastrin" . "[125I]gastrin" . . "f" . "[125I]GHRH (human)" . "[125I]GHRH (human)" . . "f" . "[125I]GLP-1-(7-37) (human)" . "[125I]GLP-1-(7-37) (human)" . . "f" . "[125I]glucagon (human, mouse, rat)" . "[125I]glucagon (human, mouse, rat)" . . "f" . "[125I]GnRH I (human, mouse, rat)" . "[125I]GnRH I (human, mouse, rat)" . . "f" . "[125I]GnRH II (human)" . "[125I]GnRH II (human)" . . "f" . "[125I]GRP (human)" . "[125I]GRP (human)" . . "f" . "[125I]relaxin-3-B/INSL5 A chimera" . "[125I]relaxin-3-B/INSL5 A chimera" . . "f" . "[125I]Hpp-desArg10HOE140" . "[125I]Hpp-desArg10HOE140" . . "f" . "[125I]kisspeptin-13 (human)" . "[125I]kisspeptin-13 (human)" . . "f" . "[125I]LH" . "[125I]LH" . . "f" . "[125I]motilin (human)" . "[125I]motilin (human)" . . "f" . "[125I]NKA (human, mouse, rat)" . "[125I]NKA (human, mouse, rat)" . . "f" . "[125I]NPFF" . "[125I]NPFF" . . "f" . "[125I]orexin A (human, mouse, rat)" . "[125I]orexin A (human, mouse, rat)" . . "f" . "[125I]PP (human)" . "[125I]PP (human)" . . "f" . "[125I]Tyr4-des-octanoyl-ghrelin" . "[125I]Tyr4-des-octanoyl-ghrelin" . . "f" . "[3H]BH-[Sar9,Met(O2)11]SP" . "[3H]BH-[Sar9,Met(O2)11]SP" . . "f" . "[3H]BK (human, mouse, rat)" . "[3H]BK (human, mouse, rat)" . . "f" . "[3H]d(CH2)5[Tyr(Me)2]AVP" . "[3H]d(CH2)5[Tyr(Me)2]AVP" . . "f" . "[3H]DAMGO" . "[3H]DAMGO" . . "f" . "[3H]deltorphin II" . "[3H]deltorphin II" . . "f" . "[3H]desGly-NH2[D-Ile2,Ile4]VP" . "[3H]desGly-NH2[D-Ile2,Ile4]VP" . . "f" . "[3H]DPDPE" . "[3H]DPDPE" . . "[3H]gastrin" . "[3H]gastrin" . . "f" . "[3H]GR100679" . "[3H]GR100679" . . "f" . "[3H]haTRAP" . "[3H]haTRAP" . . "f" . "[3H]Leu-N/OFQ" . "[3H]Leu-N/OFQ" . . "f" . "[3H]Lys-[des-Arg9]BK" . "[3H]Lys-[des-Arg9]BK" . . "f" . "[3H]Lys-[Leu8][des-Arg9]BK" . "[3H]Lys-[Leu8][des-Arg9]BK" . . "f" . "[3H]MCH (human, mouse, rat)" . "[3H]MCH (human, mouse, rat)" . . "f" . "[3H]naltriben" . "[3H]naltriben" . . "f" . "[3H]naltrindole" . "[3H]naltrindole" . . "f" . "[3H]neurotensin (human, mouse, rat)" . "[3H]neurotensin (human, mouse, rat)" . . "f" . "[3H]NPC17731" . "[3H]NPC17731" . . "f" . "[3H]PL017" . "[3H]PL017" . . "f" . "[3H]senktide" . "[3H]senktide" . . "f" . "[3H]SP (human, mouse, rat)" . "[3H]SP (human, mouse, rat)" . . "f" . "[3H]TRH (human, mouse, rat)" . "[3H]TRH (human, mouse, rat)" . . "f" . "[Ala1,3,11,15]ET-1" . "[Ala1,3,11,15]ET-1" . . "f" . "[D-Ala2]deltorphin I" . "[D-Ala2]deltorphin I" . . "f" . "[D-Phe6, Leu13, Cpa14,ψ13-14]bombesin-(6-14)" . "[D-Phe6, Leu13, Cpa14,ψ13-14]bombesin-(6-14)" . . "f" . "[Hyp3,Tyr(Me)8]BK" . "[Hyp3,Tyr(Me)8]BK" . . "f" . "[Lys15,Arg16,Leu27]VIP-(1-7)/GRF-(8-27)-NH2" . "[Lys15,Arg16,Leu27]VIP-(1-7)/GRF-(8-27)-NH2" . . "f" . "[Lys5,Me-Leu9,Nle10]NKA-(4-10)" . "[Lys5,Me-Leu9,Nle10]NKA-(4-10)" . . "f" . "[125I][Phe13,Tyr19]MCH" . "[125I][Phe13,Tyr19]MCH" . . "f" . "[Phe8,ψ(CH2-NH)Arg9]BK" . "[Phe8,ψ(CH2-NH)Arg9]BK" . . "f" . "[Pro3]GIP" . "[Pro3]GIP" . . "f" . "[Pro34]NPY" . "[Pro34]NPY" . . "f" . "[Pro9]SP" . "[Pro9]SP" . . "f" . "[Sar9,Met(O2)11]SP" . "[Sar9,Met(O2)11]SP" . . "f" . "2-furoyl-LIGRLO-amide" . "2-furoyl-LIGRLO-amide" . . "f" . "AcPhe-Orn-Pro-D-Cha-Trp-Arg" . "AcPhe-Orn-Pro-D-Cha-Trp-Arg" . . "f" . "iturelix" . "iturelix" . . "Ava3" . "Ava3" . . "Ava5" . "Ava5" . . "f" . "BIM28011" . "BIM28011" . . "f" . "BODIPY® TMR-NMU" . "BODIPY® TMR-NMU" . . "f" . "BQ 3020" . "BQ 3020" . . "t" . "buserelin" . "buserelin" . . "f" . "C7" . "C7" . . "f" . "CXCL15" . "CXCL15" . . "f" . "Cy3B-NMU-8" . "Cy3B-NMU-8" . . "f" . "D-Phe-CRF-(12-41)" . "D-Phe-CRF-(12-41)" . . "f" . "[D-Trp2]galanin-(1-29)" . "[D-Trp2]galanin-(1-29)" . . "f" . "d(CH2)5[Tyr(Me)2,Arg8]VP" . "d(CH2)5[Tyr(Me)2,Arg8]VP" . . "f" . "d[Val4,DArg8]VP" . "d[Val4,DArg8]VP" . . "f" . "desGlyNH2-d(CH2)5[Tyr(Me)2,Thr4,Orn8]OT" . "desGlyNH2-d(CH2)5[Tyr(Me)2,Thr4,Orn8]OT" . . "f" . "dNal-cyc(Cys-Tyr-dTrp-Orn-Val)-Nal-NH2" . "dNal-cyc(Cys-Tyr-dTrp-Orn-Val)-Nal-NH2" . . "f" . "DSTBULET" . "DSTBULET" . . "f" . "NPY-(13-36)" . "NPY-(13-36)" . . "f" . "E55888" . "E55888" . . "f" . "europium-labelled relaxin" . "europium-labelled relaxin" . . "f" . "europium-labelled INSL3" . "europium-labelled INSL3" . . "f" . "galanin(2-29) (rat/mouse)" . "galanin(2-29) (rat/mouse)" . . "t" . "ganirelix" . "ganirelix" . . "f" . "GnRH III" . "GnRH III" . . "t" . "goserelin" . "goserelin" . . "f" . "GR100679" . "GR100679" . . "f" . "GR64349" . "GR64349" . . "f" . "GR94800" . "GR94800" . . "f" . "GYPGKF-NH2" . "GYPGKF-NH2" . . "f" . "R-954" . "R-954" . . "f" . "JP1302" . "JP1302" . . "f" . "L 755507" . "L 755507" . . "f" . "L-748337" . "L-748337" . . "t" . "histrelin" . "histrelin" . . "f" . "INSL3 B-chain analogue" . "INSL3 B-chain analogue" . . "f" . "IRL 1620" . "IRL 1620" . . "f" . "IRL 2500" . "IRL 2500" . . "f" . "JMV180" . "JMV180" . . "f" . "JMV641" . "JMV641" . . "f" . "K31440" . "K31440" . . "f" . "K41498" . "K41498" . . "f" . "LGR7-truncate" . "LGR7-truncate" . . "f" . "M15" . "M15" . . "f" . "M32" . "M32" . . "f" . "M35" . "M35" . . "f" . "M40" . "M40" . . "f" . "M871" . "M871" . . "f" . "MEN10627" . "MEN10627" . . "t" . "nafarelin" . "nafarelin" . . "f" . "R3(BΔ23-27)R/I5 chimeric peptide" . "R3(BΔ23-27)R/I5 chimeric peptide" . . "f" . "R3(BΔ23-27)R/I5 chimeric peptide (B chain)" . "R3(BΔ23-27)R/I5 chimeric peptide (B chain)" . . "f" . "R5-HIV-1 gp120" . "R5-HIV-1 gp120" . . "f" . "RES7011" . "RES7011" . . "f" . "TAK 044" . "TAK 044" . . "f" . "trans-cinnamoyl-LIGRLO [N-[3H]propionyl]-NH2" . "trans-cinnamoyl-LIGRLO [N-[3H]propionyl]-NH2" . . "f" . "E7" . "E7" . . "f" . "trptorelix-1" . "trptorelix-1" . . "f" . "UFP-112" . "UFP-112" . . "f" . "X4-HIV-1 gp120" . "X4-HIV-1 gp120" . . "t" . "TSH" . "TSH" . . "f" . "[125I][cPP(1-7), NPY(19-23), Ala31, Aib32, Gln34]hPP" . "[125I][cPP(1-7), NPY(19-23), Ala31, Aib32, Gln34]hPP" . . "f" . "NLX-101" . "NLX-101" . . "f" . "[3H]NLX-112" . "[3H]NLX-112" . . "f" . "[11C]AZ10419369" . "[11C]AZ10419369" . . "f" . "BRL-54443" . "BRL-54443" . . "t" . "lasmiditan" . "lasmiditan" . . "f" . "aspirin triggered lipoxin A4" . "aspirin triggered lipoxin A4" . . "f" . "resolvin D1" . "resolvin D1" . . "f" . "F2L" . "F2L" . . "f" . "L-162,313" . "L-162,313" . . "t" . "valsartan" . "valsartan" . . "f" . "[3H]A81988" . "[3H]A81988" . . "f" . "[3H]L158809" . "[3H]L158809" . . "f" . "[3H]eprosartan" . "[3H]eprosartan" . . "f" . "[3H]losartan" . "[3H]losartan" . . "f" . "[125I]EXP985" . "[125I]EXP985" . . "f" . "CGP42112" . "CGP42112" . . "f" . "betulinic acid" . "betulinic acid" . . "f" . "[D-Tyr6,Apa-4Cl11,Phe13,Nle14]bombesin-(6-14)" . "[D-Tyr6,Apa-4Cl11,Phe13,Nle14]bombesin-(6-14)" . . "f" . "AC265347" . "AC265347" . . "f" . "PBC-264" . "PBC-264" . . "f" . "sumanirole" . "sumanirole" . . "t" . "sitaxsentan" . "sitaxsentan" . . "t" . "ambrisentan" . "ambrisentan" . . "f" . "TUG-424" . "TUG-424" . . "f" . "A-841720" . "A-841720" . . "f" . "biphenylindanone A" . "biphenylindanone A" . . "f" . "Ro64-5229" . "Ro64-5229" . . "f" . "VU0361737" . "VU0361737" . . "f" . "[11C]pyrilamine" . "[11C]pyrilamine" . . "f" . "[11C]doxepin" . "[11C]doxepin" . . "f" . "[3H]tiotidine" . "[3H]tiotidine" . . "f" . "[125I]iodophenpropit" . "[125I]iodophenpropit" . . "f" . "4BP-TQS" . "4BP-TQS" . . "f" . "hexamethonium" . "hexamethonium" . . "f" . "α-bungarotoxin" . "α-bungarotoxin" . . "f" . "α-conotoxin ImI" . "α-conotoxin ImI" . . "f" . "JNJ1930942" . "JNJ1930942" . . "f" . "DMPP" . "DMPP" . . "f" . "tebanicline" . "tebanicline" . . "f" . "PSAB-OFP" . "PSAB-OFP" . . "f" . "bradanicline" . "bradanicline" . . "f" . "α-conotoxin MII" . "α-conotoxin MII" . . "f" . "[3H]AZ11637326" . "[3H]AZ11637326" . . "f" . "[125I]α-bungarotoxin" . "[125I]α-bungarotoxin" . . "f" . "α-conotoxin AuIB" . "α-conotoxin AuIB" . . "f" . "[3H]A-585539" . "[3H]A-585539" . . "f" . "[125I]α-conotoxin MII" . "[125I]α-conotoxin MII" . . "f" . "[125I]epibatidine" . "[125I]epibatidine" . . "f" . "[3H]epibatidine" . "[3H]epibatidine" . . "f" . "[3H]nicotine" . "[3H]nicotine" . . "f" . "[3H]cytisine" . "[3H]cytisine" . . "f" . "[3H]methyllycaconitine" . "[3H]methyllycaconitine" . . "f" . "[3H]α-bungarotoxin" . "[3H]α-bungarotoxin" . . "f" . "α-conotoxin PnIA" . "α-conotoxin PnIA" . . "f" . "α-conotoxin GI" . "α-conotoxin GI" . . "f" . "waglerin-1" . "waglerin-1" . . "f" . "α-conotoxin PIA" . "α-conotoxin PIA" . . "f" . "A-867744" . "A-867744" . . "f" . "TC-2559" . "TC-2559" . . "f" . "PNU-282987" . "PNU-282987" . . "t" . "mecamylamine" . "mecamylamine" . . "f" . "PNU-120596" . "PNU-120596" . . "f" . "LY2087101" . "LY2087101" . . "f" . "NS9283" . "NS9283" . . "f" . "rivanicline" . "rivanicline" . . "f" . "A-582941" . "A-582941" . . "f" . "muscarine" . "muscarine" . . "f" . "PHA-709829" . "PHA-709829" . . "f" . "PHA-543613" . "PHA-543613" . . "f" . "α-conotoxin MI" . "α-conotoxin MI" . . "f" . "NS1738" . "NS1738" . . "t" . "pancuronium" . "pancuronium" . . "t" . "vecuronium" . "vecuronium" . . "t" . "rocuronium" . "rocuronium" . . "t" . "succinylcholine" . "succinylcholine" . . "f" . "methyllycaconitine" . "methyllycaconitine" . . "f" . "DHβE" . "DHβE" . . "f" . "α-conotoxin ArIB" . "α-conotoxin ArIB" . . "f" . "α-conotoxin RgIA" . "α-conotoxin RgIA" . . "f" . "α-conotoxin-GIC" . "α-conotoxin-GIC" . . "f" . "α-conotoxin MII [H9A, L15A]" . "α-conotoxin MII [H9A, L15A]" . . "f" . "α-conotoxin TxIA" . "α-conotoxin TxIA" . . "f" . "peptide 234" . "peptide 234" . . "f" . "[125I]kisspeptin-14 (human)" . "[125I]kisspeptin-14 (human)" . . "f" . "4-fluorobenzoyl-FGLRW-NH2" . "4-fluorobenzoyl-FGLRW-NH2" . . "f" . "[dY]1KP-10" . "[dY]1KP-10" . . "f" . "RFRP-3" . "RFRP-3" . . "f" . "AC262620" . "AC262620" . . "f" . "AC262970" . "AC262970" . . "f" . "[3H]NPVF" . "[3H]NPVF" . . "f" . "AC263093" . "AC263093" . . "f" . "[3H]EYF" . "[3H]EYF" . . "f" . "A331440" . "A331440" . . "f" . "histaprodifen" . "histaprodifen" . . "f" . "AS1269574" . "AS1269574" . . "f" . "lysophosphatidylinositol" . "lysophosphatidylinositol" . . "f" . "2-arachidonoylglycerolphosphoinositol" . "2-arachidonoylglycerolphosphoinositol" . . "f" . "decyl dihydrogen phosphate" . "decyl dihydrogen phosphate" . . "f" . "dodecylphosphate" . "dodecylphosphate" . . "f" . "sphingosylphosphorylcholine" . "sphingosylphosphorylcholine" . . "f" . "GW803430" . "GW803430" . . "f" . "camicinal" . "camicinal" . . "f" . "MA-2029" . "MA-2029" . . "f" . "EMPA" . "EMPA" . . "f" . "TCS-OX2-29" . "TCS-OX2-29" . . "f" . "CP734432" . "CP734432" . . "f" . "ER819762" . "ER819762" . . "f" . "MK-2894" . "MK-2894" . . "f" . "RO3244794" . "RO3244794" . . "f" . "MRS2768" . "MRS2768" . . "f" . "MRS4062" . "MRS4062" . . "f" . "[3H]MDL105519" . "[3H]MDL105519" . . "f" . "NF546" . "NF546" . . "t" . "vorapaxar" . "vorapaxar" . . "f" . "atopaxar" . "atopaxar" . . "f" . "2-furoyl-LIGRL[N[3H]propionyl]-O-NH2" . "2-furoyl-LIGRL[N[3H]propionyl]-O-NH2" . . "f" . "2-furoyl-LIGRL[N-(Alexa Fluor 594)-O]-NH2 " . "2-furoyl-LIGRL[N-(Alexa Fluor 594)-O]-NH2 " . . "f" . "picrotoxin" . "picrotoxin" . . "f" . "WAY200070" . "WAY200070" . . "f" . "retinol" . "retinol" . . "f" . "AC261066" . "AC261066" . . "f" . "AC55649" . "AC55649" . . "f" . "PAMP-12 (human)" . "PAMP-12 (human)" . . "f" . "PAMP-20" . "PAMP-20" . . "f" . "bovine adrenal medulla peptide 8-22" . "bovine adrenal medulla peptide 8-22" . . "f" . "VU-1545" . "VU-1545" . . "f" . "[D-Ala2]deltorphin II" . "[D-Ala2]deltorphin II" . . "f" . "MM 11253" . "MM 11253" . . "f" . "lysophosphatidylserine" . "lysophosphatidylserine" . . "f" . "(-)-(S)-BayK8644" . "(-)-(S)-BayK8644" . . "f" . "(+)-HA966" . "(+)-HA966" . . "f" . "(±)-cis-2-CAMP" . "(±)-cis-2-CAMP" . . "(RS)-(tetrazol-5-yl)glycine" . "(RS)-(tetrazol-5-yl)glycine" . . "f" . "(S)-4-AHCP" . "(S)-4-AHCP" . . "f" . "(S)-5-fluorowillardiine" . "(S)-5-fluorowillardiine" . . "(S)-5-iodowillardiine" . "(S)-5-iodowillardiine" . . "f" . "(12E,20Z,18S)-8-hydroxyvariabilin" . "(12E,20Z,18S)-8-hydroxyvariabilin" . . "f" . "[125I]psalmotoxin 1" . "[125I]psalmotoxin 1" . . "f" . "[3H](S)-zacopride" . "[3H](S)-zacopride" . . "f" . "[3H]SYM2081" . "[3H]SYM2081" . . "f" . "[3H]A778317" . "[3H]A778317" . . "f" . "[3H]AMPA" . "[3H]AMPA" . . "f" . "[3H]CGP39653" . "[3H]CGP39653" . . "f" . "[3H]CGP61594" . "[3H]CGP61594" . . "f" . "[3H]CGS19755" . "[3H]CGS19755" . . "f" . "[3H]CNQX" . "[3H]CNQX" . . "f" . "[3H]CPP" . "[3H]CPP" . . "f" . "[3H]gabazine" . "[3H]gabazine" . . "f" . "[3H]glycine" . "[3H]glycine" . . "f" . "[3H]kainate" . "[3H]kainate" . . "f" . "[3H]L689560" . "[3H]L689560" . . "f" . "[3H]LY278584" . "[3H]LY278584" . . "f" . "[3H]dizocilpine" . "[3H]dizocilpine" . . "f" . "[3H]muscimol" . "[3H]muscimol" . . "f" . "[3H]resiniferatoxin" . "[3H]resiniferatoxin" . . "f" . "[3H]UBP310" . "[3H]UBP310" . . "f" . "αβ-meATP" . "αβ-meATP" . . "f" . "α3IA" . "α3IA" . . "f" . "α5IA" . "α5IA" . . "cis-3-ACPBPA" . "cis-3-ACPBPA" . . "f" . "S-(-)CPB" . "S-(-)CPB" . . "f" . "S-(-)CPP" . "S-(-)CPP" . . "f" . "trans-3-ACPBPA" . "trans-3-ACPBPA" . . "f" . "1,9-dideoxyforskolin" . "1,9-dideoxyforskolin" . . "f" . "hyp 9" . "hyp 9" . . "f" . "2,4-epi-neodysiherbaine" . "2,4-epi-neodysiherbaine" . . "f" . "20-HETE" . "20-HETE" . . "3-phenyl-CPP" . "3-phenyl-CPP" . . "f" . "4α-PDH" . "4α-PDH" . . "f" . "5-Me-IAA" . "5-Me-IAA" . . "t" . "5α-pregnan-3α-ol-20-one" . "5α-pregnan-3α-ol-20-one" . . "f" . "5'-iodoresiniferatoxin" . "5'-iodoresiniferatoxin" . . "6-iodo-nordihydrocapsaicin" . "6-iodo-nordihydrocapsaicin" . . "f" . "6-tert-butyl-m-cresol" . "6-tert-butyl-m-cresol" . . "f" . "8-deoxy-neodysiherbaine" . "8-deoxy-neodysiherbaine" . . "f" . "9-anthroic acid" . "9-anthroic acid" . . "f" . "9-phenanthrol" . "9-phenanthrol" . . "f" . "A317491" . "A317491" . . "f" . "A-317567" . "A-317567" . . "f" . "A425619" . "A425619" . . "f" . "A438079" . "A438079" . . "f" . "A740003" . "A740003" . . "f" . "A778317" . "A778317" . . "f" . "A804598" . "A804598" . . "f" . "A839977" . "A839977" . . "f" . "ACET" . "ACET" . . "f" . "adenophostin A" . "adenophostin A" . . "f" . "AF353" . "AF353" . . "f" . "agmatine" . "agmatine" . . "t" . "amantadine" . "amantadine" . . "f" . "AMG517" . "AMG517" . . "f" . "AMG628" . "AMG628" . . "f" . "AMPA" . "AMPA" . . "f" . "AMTB" . "AMTB" . . "f" . "conantokin-G" . "conantokin-G" . . "f" . "concanavalin A" . "concanavalin A" . . "t" . "aniracetam" . "aniracetam" . . "f" . "AP18" . "AP18" . . "f" . "APETx2" . "APETx2" . . "f" . "apigenin" . "apigenin" . . "f" . "arcaine" . "arcaine" . . "f" . "argiotoxin" . "argiotoxin" . . "t" . "aspirin" . "aspirin" . . "f" . "ATPA" . "ATPA" . . "f" . "ATPO" . "ATPO" . . "f" . "AZ11645373" . "AZ11645373" . . "aza-THIP" . "aza-THIP" . . "f" . "benzamil" . "benzamil" . . "f" . "brilliant blue G" . "brilliant blue G" . . "f" . "CACA" . "CACA" . . "f" . "calciseptine" . "calciseptine" . . "f" . "traxoprodil" . "traxoprodil" . . "f" . "Cu2+" . "Cu2+" . . "t" . "cannabidiol" . "cannabidiol" . . "f" . "carbenoxolone" . "carbenoxolone" . . "f" . "CBIQ" . "CBIQ" . . "f" . "CFTRinh-172" . "CFTRinh-172" . . "f" . "CGP37849" . "CGP37849" . . "f" . "selfotel" . "selfotel" . . "f" . "CGS8216" . "CGS8216" . . "f" . "chlorobenzylidene malononitrile" . "chlorobenzylidene malononitrile" . . "t" . "clomiphene" . "clomiphene" . . "f" . "Co2+" . "Co2+" . . "t" . "cyclothiazide" . "cyclothiazide" . . "f" . "d-AP5" . "d-AP5" . . "f" . "d-CCPene" . "d-CCPene" . . "f" . "D-serine" . "D-serine" . . "t" . "dantrolene" . "dantrolene" . . "f" . "DCDPC" . "DCDPC" . . "f" . "DCPIB" . "DCPIB" . . "diBA-(5)-C4" . "diBA-(5)-C4" . . "f" . "DIDS" . "DIDS" . . "f" . "DkTx" . "DkTx" . . "f" . "DMCM" . "DMCM" . . "f" . "domoic acid" . "domoic acid" . . "f" . "diphenylamine-2-carboxylic acid" . "diphenylamine-2-carboxylic acid" . . "f" . "DS1" . "DS1" . . "f" . "DS2" . "DS2" . . "f" . "dysiherbaine" . "dysiherbaine" . . "f" . "ethylisopropylamiloride" . "ethylisopropylamiloride" . . "f" . "epipregnanolone sulphate" . "epipregnanolone sulphate" . . "t" . "felodipine" . "felodipine" . . "f" . "flufenamate" . "flufenamate" . . "t" . "flumazenil" . "flumazenil" . . "t" . "flunitrazepam" . "flunitrazepam" . . "f" . "kainate" . "kainate" . . "f" . "KB-R7943" . "KB-R7943" . . "f" . "LY404187" . "LY404187" . . "f" . "LY466195" . "LY466195" . . "t" . "flurbiprofen" . "flurbiprofen" . . "f" . "FMRFamide" . "FMRFamide" . . "f" . "formalin" . "formalin" . . "f" . "gabazine" . "gabazine" . . "f" . "GaTx1" . "GaTx1" . . "f" . "GaTx2" . "GaTx2" . . "f" . "GEA 3162" . "GEA 3162" . . "f" . "ginkgolide X" . "ginkgolide X" . . "f" . "GlyH-101" . "GlyH-101" . . "f" . "GMQ" . "GMQ" . . "f" . "gossypol" . "gossypol" . . "f" . "GSK1016790A" . "GSK1016790A" . . "f" . "GsMTx-4" . "GsMTx-4" . . "GTPγS" . "GTPγS" . . "f" . "GV196771A" . "GV196771A" . . "f" . "GYKI53655" . "GYKI53655" . . "f" . "GYKI53784" . "GYKI53784" . . "f" . "HC030031" . "HC030031" . . "f" . "HC-056456" . "HC-056456" . . "f" . "HC067047" . "HC067047" . . "f" . "LY382884" . "LY382884" . . "f" . "LY392098" . "LY392098" . . "t" . "heparin" . "heparin" . . "f" . "homoquinolinic acid" . "homoquinolinic acid" . . "f" . "IAA-94" . "IAA-94" . . "f" . "iberiotoxin" . "iberiotoxin" . . "f" . "IDRA-21" . "IDRA-21" . . "f" . "incensole acetate" . "incensole acetate" . . "f" . "indiplon" . "indiplon" . . "f" . "IP3" . "IP3" . . "f" . "inositol 2,4,5-trisphosphate" . "inositol 2,4,5-trisphosphate" . . "f" . "Ins(3,4,5,6)P4" . "Ins(3,4,5,6)P4" . . "f" . "Ip5I" . "Ip5I" . . "f" . "isoguvacine" . "isoguvacine" . . "f" . "isonipecotic acid" . "isonipecotic acid" . . "f" . "JNJ17203212" . "JNJ17203212" . . "f" . "joro spider toxin" . "joro spider toxin" . . "f" . "JYL1421" . "JYL1421" . . "t" . "ketamine" . "ketamine" . . "f" . "KM11060" . "KM11060" . . "f" . "KN62" . "KN62" . . "f" . "L-βγ-meATP" . "L-βγ-meATP" . . "f" . "L655708" . "L655708" . . "f" . "L689560" . "L689560" . . "f" . "L701324" . "L701324" . . "f" . "L838417" . "L838417" . . "t" . "lubiprostone" . "lubiprostone" . . "f" . "LY233053" . "LY233053" . . "f" . "LY233536" . "LY233536" . . "f" . "tezampanel" . "tezampanel" . . "f" . "LY339434" . "LY339434" . . "f" . "LY503430" . "LY503430" . . "t" . "mefloquine" . "mefloquine" . . "t" . "memantine" . "memantine" . . "t" . "minoxidil" . "minoxidil" . . "f" . "ML204" . "ML204" . . "f" . "ML9" . "ML9" . . "f" . "MRK016" . "MRK016" . . "f" . "MSVIII-19" . "MSVIII-19" . . "f" . "muscimol" . "muscimol" . . "N1-dansyl-spermine" . "N1-dansyl-spermine" . . "f" . "NADA" . "NADA" . . "t" . "nafamostat" . "nafamostat" . . "nafoxidine" . "nafoxidine" . . "f" . "NBQX" . "NBQX" . . "t" . "nordihydroguiaretic acid" . "nordihydroguiaretic acid" . . "f" . "NF023" . "NF023" . . "f" . "NF449" . "NF449" . . "f" . "NMDA" . "NMDA" . . "f" . "NNC55-0396" . "NNC55-0396" . . "f" . "NPPB" . "NPPB" . . "f" . "NS004" . "NS004" . . "f" . "NS1619" . "NS1619" . . "f" . "NS3728" . "NS3728" . . "f" . "NS3763" . "NS3763" . . "f" . "NS5818" . "NS5818" . . "f" . "NVP-AAM077" . "NVP-AAM077" . . "f" . "ocinaplon" . "ocinaplon" . . "f" . "octanol" . "octanol" . . "f" . "VRT-325" . "VRT-325" . . "f" . "[3H]resolvin D1" . "[3H]resolvin D1" . . "f" . "CCL1" . "CCL1" . . "t" . "omeprazole" . "omeprazole" . . "f" . "P552-02" . "P552-02" . . "f" . "phenamil" . "phenamil" . . "f" . "phencyclidine" . "phencyclidine" . . "f" . "phenylacetylrinvanil" . "phenylacetylrinvanil" . . "f" . "phenylglycine-01" . "phenylglycine-01" . . "f" . "phloretin" . "phloretin" . . "f" . "picrotin" . "picrotin" . . "f" . "piperidine-4-sulphonic acid" . "piperidine-4-sulphonic acid" . . "t" . "piracetam" . "piracetam" . . "PMBA" . "PMBA" . . "f" . "pregnenolone sulphate" . "pregnenolone sulphate" . . "f" . "chorionic gonadotropin beta subunit" . "chorionic gonadotropin beta subunit" . . "t" . "procaine" . "procaine" . . "f" . "psalmotoxin 1" . "psalmotoxin 1" . . "f" . "Pyr3" . "Pyr3" . . "f" . "RN1734" . "RN1734" . . "f" . "RN1747" . "RN1747" . . "f" . "Ro15-4513" . "Ro15-4513" . . "f" . "Ro19-4603" . "Ro19-4603" . . "f" . "RO3" . "RO3" . . "f" . "RO4938581" . "RO4938581" . . "f" . "Ro 8-4304" . "Ro 8-4304" . . "f" . "RY024" . "RY024" . . "f" . "ryanodine" . "ryanodine" . . "f" . "S18986" . "S18986" . . "f" . "S3969" . "S3969" . . "f" . "7β-hydroxycholesterol" . "7β-hydroxycholesterol" . . "f" . "7α,27-dihydroxycholesterol" . "7α,27-dihydroxycholesterol" . . "f" . "PHI" . "PHI" . . "t" . "salicylic acid" . "salicylic acid" . . "f" . "SB202190" . "SB202190" . . "f" . "SB366791" . "SB366791" . . "f" . "SB452533" . "SB452533" . . "f" . "SB705498" . "SB705498" . . "f" . "sulfonamide-01" . "sulfonamide-01" . . "f" . "SITS" . "SITS" . . "f" . "SNX482" . "SNX482" . . "f" . "SR57227A" . "SR57227A" . . "f" . "SYM2081" . "SYM2081" . . "f" . "SZ(+)-(S)-202-791" . "SZ(+)-(S)-202-791" . . "f" . "tannic acid" . "tannic acid" . . "f" . "TBPS" . "TBPS" . . "f" . "tetrahydrodeoxycorticosterone" . "tetrahydrodeoxycorticosterone" . . "f" . "gaboxadol" . "gaboxadol" . . "f" . "TMB-8" . "TMB-8" . . "TNP-ATP" . "TNP-ATP" . . "f" . "7β, 27-dihydroxycholesterol" . "7β, 27-dihydroxycholesterol" . . "f" . "7β, 25-dihydroxycholesterol" . "7β, 25-dihydroxycholesterol" . . "t" . "toremifene" . "toremifene" . . "f" . "TP003" . "TP003" . . "f" . "TPA023" . "TPA023" . . "f" . "TPMPA" . "TPMPA" . . "t" . "triamterene" . "triamterene" . . "t" . "triflupromazine" . "triflupromazine" . . "f" . "TRIM" . "TRIM" . . "f" . "UBP141" . "UBP141" . . "f" . "UBP302" . "UBP302" . . "f" . "UBP310" . "UBP310" . . "f" . "UCCF-029" . "UCCF-029" . . "f" . "UCCF-339" . "UCCF-339" . . "f" . "UCCF-853" . "UCCF-853" . . "f" . "URB597" . "URB597" . . "f" . "VRT-532" . "VRT-532" . . "t" . "ivacaftor" . "ivacaftor" . . "f" . "WS-12" . "WS-12" . . "f" . "xestospongin C" . "xestospongin C" . . "t" . "zaleplon" . "zaleplon" . . "f" . "ZK93423" . "ZK93423" . . "f" . "ZK93426" . "ZK93426" . . "t" . "zolpidem" . "zolpidem" . . "f" . "heme" . "heme" . . "f" . "7α,25-dihydroxycholesterol" . "7α,25-dihydroxycholesterol" . . "f" . "7α-hydroxycholesterol" . "7α-hydroxycholesterol" . . "t" . "probenecid" . "probenecid" . . "f" . "CXCL12α" . "CXCL12α" . . "f" . "vMIP-III" . "vMIP-III" . . "f" . "[3H]flunitrazepam" . "[3H]flunitrazepam" . . "f" . "[3H]zolpidem" . "[3H]zolpidem" . . "f" . "[3H]L655708" . "[3H]L655708" . . "f" . "[3H]RY80" . "[3H]RY80" . . "f" . "[3H]Ro154513" . "[3H]Ro154513" . . "f" . "[3H]CGS8216" . "[3H]CGS8216" . . "f" . "[11C]flumazenil" . "[11C]flumazenil" . . "f" . "[18F]fluoroethylflumazenil" . "[18F]fluoroethylflumazenil" . . "f" . "[35S]TBPS" . "[35S]TBPS" . . "f" . "XCL2" . "XCL2" . . "f" . "B-R13/17K H2 relaxin" . "B-R13/17K H2 relaxin" . . "f" . "INSL3 B chain dimer analogue 8" . "INSL3 B chain dimer analogue 8" . . "f" . "europium-labelled relaxin-3-B/INSL5 A chimera" . "europium-labelled relaxin-3-B/INSL5 A chimera" . . "f" . "europium-labelled INSL5" . "europium-labelled INSL5" . . "f" . "glycoprotein hormone common alpha subunit" . "glycoprotein hormone common alpha subunit" . . "f" . "glycoprotein hormone common alpha subunit" . "glycoprotein hormone common alpha subunit" . . "f" . "CCL18" . "CCL18" . . "f" . "R-spondin-4" . "R-spondin-4" . . "f" . "FSH β subunit" . "FSH β subunit" . . "f" . "FSH β subunit" . "FSH β subunit" . . "f" . "FSH" . "FSH" . . "f" . "FSH" . "FSH" . . "f" . "LH β subunit" . "LH β subunit" . . "f" . "LH" . "LH" . . "f" . "LH β subunit" . "LH β subunit" . . "f" . "TSH β subunit" . "TSH β subunit" . . "f" . "TSH" . "TSH" . . "f" . "TSH β subunit" . "TSH β subunit" . . "f" . "TSH" . "TSH" . . "f" . "CCL2" . "CCL2" . . "f" . "CCL2" . "CCL2" . . "f" . "CCL3" . "CCL3" . . "f" . "CCL3" . "CCL3" . . "f" . "CCL4" . "CCL4" . . "f" . "CCL4" . "CCL4" . . "f" . "CCL5" . "CCL5" . . "f" . "CCL7" . "CCL7" . . "f" . "CCL7" . "CCL7" . . "f" . "CCL8" . "CCL8" . . "f" . "CCL11" . "CCL11" . . "f" . "CCL19" . "CCL19" . . "f" . "CCL20" . "CCL20" . . "f" . "CCL20" . "CCL20" . . "f" . "CCL22" . "CCL22" . . "f" . "CCL24" . "CCL24" . . "f" . "CCL25" . "CCL25" . . "f" . "CXCL1" . "CXCL1" . . "f" . "CXCL2" . "CXCL2" . . "f" . "CXCL2" . "CXCL2" . . "f" . "CXCL3" . "CXCL3" . . "f" . "CXCL3" . "CXCL3" . . "f" . "CXCL5" . "CXCL5" . . "f" . "CXCL9" . "CXCL9" . . "f" . "CXCL10" . "CXCL10" . . "f" . "CXCL10" . "CXCL10" . . "f" . "CXCL11" . "CXCL11" . . "f" . "CXCL16" . "CXCL16" . . "f" . "CCL9" . "CCL9" . . "f" . "SCN-" . "SCN-" . . "f" . "CCL12" . "CCL12" . . "f" . "relaxin A chain" . "relaxin A chain" . . "f" . "relaxin B chain" . "relaxin B chain" . . "f" . "relaxin A chain" . "relaxin A chain" . . "f" . "relaxin B chain" . "relaxin B chain" . . "f" . "relaxin A chain" . "relaxin A chain" . . "f" . "relaxin B chain" . "relaxin B chain" . . "f" . "neuropeptide AF" . "neuropeptide AF" . . "f" . "neuropeptide AF" . "neuropeptide AF" . . "f" . "neuropeptide SF" . "neuropeptide SF" . . "f" . "neuropeptide SF" . "neuropeptide SF" . . "f" . "XCL1" . "XCL1" . . "f" . "XCL1" . "XCL1" . . "t" . "teriparatide" . "teriparatide" . . "f" . "PTH-(1-34) (rat)" . "PTH-(1-34) (rat)" . . "f" . "(+)-adrenaline" . "(+)-adrenaline" . . "f" . "thrombin light chain" . "thrombin light chain" . . "f" . "thrombin" . "thrombin" . . "f" . "thrombin light chain" . "thrombin light chain" . . "f" . "thrombin heavy chain" . "thrombin heavy chain" . . "f" . "thrombin" . "thrombin" . . "f" . "thrombin light chain" . "thrombin light chain" . . "f" . "thrombin heavy chain" . "thrombin heavy chain" . . "f" . "thrombin" . "thrombin" . . "f" . "bromocresol green" . "bromocresol green" . . "f" . "WAY-213613" . "WAY-213613" . . "f" . "[14C]ascorbic acid" . "[14C]ascorbic acid" . . "f" . "filorexant" . "filorexant" . . "f" . "SB-649868" . "SB-649868" . . "f" . "CCL27" . "CCL27" . . "f" . "CCL28" . "CCL28" . . "f" . "CXCL5" . "CXCL5" . . "f" . "CXCL12" . "CXCL12" . . "f" . "CXCL13" . "CXCL13" . . "f" . "CXCL16" . "CXCL16" . . "f" . "CX3CL1" . "CX3CL1" . . "f" . "CX3CL1" . "CX3CL1" . . "f" . "matrix metalloproteinase 2" . "matrix metalloproteinase 2" . . "f" . "matrix metalloproteinase 2" . "matrix metalloproteinase 2" . . "f" . "matrix metalloproteinase 2" . "matrix metalloproteinase 2" . . "f" . "protein C" . "protein C" . . "f" . "protein C light chain" . "protein C light chain" . . "f" . "protein C heavy chain" . "protein C heavy chain" . . "f" . "protein C" . "protein C" . . "f" . "protein C light chain" . "protein C light chain" . . "f" . "protein C heavy chain" . "protein C heavy chain" . . "f" . "protein C" . "protein C" . . "f" . "protein C light chain" . "protein C light chain" . . "f" . "protein C heavy chain" . "protein C heavy chain" . . "f" . "thromboxane A2" . "thromboxane A2" . . "f" . "PGH2" . "PGH2" . . "f" . "11-dehydro-thromboxane B2" . "11-dehydro-thromboxane B2" . . "f" . "NADH" . "NADH" . . "t" . "isradipine" . "isradipine" . . "f" . "[11C]GlySar" . "[11C]GlySar" . . "f" . "[3H]GSK931145" . "[3H]GSK931145" . . "f" . "[3H]SB-733993" . "[3H]SB-733993" . . "f" . "[3H]ETB-TBOA" . "[3H]ETB-TBOA" . . "f" . "[3H]hemicholinium-3" . "[3H]hemicholinium-3" . . "f" . "hemicholinium-3" . "hemicholinium-3" . . "f" . "myo-inositol" . "myo-inositol" . . "f" . "creatine" . "creatine" . . "f" . "DL-threo-β-hydroxyaspartate" . "DL-threo-β-hydroxyaspartate" . . "f" . "Lys[Z(NO2)]-Pro" . "Lys[Z(NO2)]-Pro" . . "f" . "Lys[Z(NO2)]-Lys[Z(NO2)]" . "Lys[Z(NO2)]-Lys[Z(NO2)]" . . "f" . "benzylserine" . "benzylserine" . . "f" . "benzylcysteine" . "benzylcysteine" . . "f" . "[14C]metformin" . "[14C]metformin" . . "f" . "[3H]BSP" . "[3H]BSP" . . "f" . "bromsulphthalein" . "bromsulphthalein" . . "f" . "L-asparagine" . "L-asparagine" . . "f" . "[3H]L-aspartic acid" . "[3H]L-aspartic acid" . . "f" . "D-glucosamine" . "D-glucosamine" . . "f" . "D-glucose" . "D-glucose" . . "t" . "NaHCO3" . "NaHCO3" . . "f" . "p-nitrophenyl glutamyl anilide" . "p-nitrophenyl glutamyl anilide" . . "f" . "ammonium carbonate" . "ammonium carbonate" . . "f" . "[3H]nitrobenzylmercaptopurine ribonucleoside" . "[3H]nitrobenzylmercaptopurine ribonucleoside" . . "f" . "nitrobenzylmercaptopurine ribonucleoside" . "nitrobenzylmercaptopurine ribonucleoside" . . "f" . "NBTGR " . "NBTGR " . . "f" . "pertechnetate" . "pertechnetate" . . "f" . "L-trans-2,4-pyrolidine dicarboxylate" . "L-trans-2,4-pyrolidine dicarboxylate" . . "f" . "3-bromopyruvate" . "3-bromopyruvate" . . "f" . "dichloroacetate" . "dichloroacetate" . . "f" . "gluconate" . "gluconate" . . "f" . "acetyl-L-carnitine" . "acetyl-L-carnitine" . . "f" . "2-oxothiazolidine-4-carboxylate" . "2-oxothiazolidine-4-carboxylate" . . "f" . "acetoacetic acid" . "acetoacetic acid" . . "f" . "ClO4-" . "ClO4-" . . "f" . "dehydroepiandrosterone sulphate" . "dehydroepiandrosterone sulphate" . . "f" . "D-cysteine" . "D-cysteine" . . "f" . "oxalate" . "oxalate" . . "f" . "urea" . "urea" . . "f" . "formate" . "formate" . . "f" . "[14C]acetylCoA" . "[14C]acetylCoA" . . "f" . "[14C]alanine" . "[14C]alanine" . . "f" . "[3H]alanine" . "[3H]alanine" . . "f" . "glycocholic acid" . "glycocholic acid" . . "f" . "glycochenodeoxycholic acid" . "glycochenodeoxycholic acid" . . "f" . "[3H]taurocholic acid" . "[3H]taurocholic acid" . . "f" . "taurocholic acid" . "taurocholic acid" . . "f" . "taurolithocholic acid-3-sulphate" . "taurolithocholic acid-3-sulphate" . . "f" . "betaine" . "betaine" . . "f" . "choline" . "choline" . . "f" . "paraquat" . "paraquat" . . "f" . "acrylamide" . "acrylamide" . . "f" . "inosine" . "inosine" . . "f" . "hypoxanthine" . "hypoxanthine" . . "f" . "guanine" . "guanine" . . "f" . "xanthine" . "xanthine" . . "f" . "TPP+" . "TPP+" . . "f" . "carnosine" . "carnosine" . . "f" . "uracil" . "uracil" . . "f" . "[3H]paroxetine" . "[3H]paroxetine" . . "f" . "[3H]folic acid" . "[3H]folic acid" . . "f" . "folic acid" . "folic acid" . . "f" . "nipecotic acid" . "nipecotic acid" . . "f" . "benzoate" . "benzoate" . . "f" . "uridine" . "uridine" . . "f" . "guanosine" . "guanosine" . . "f" . "MPP+" . "MPP+" . . "f" . "ethidium" . "ethidium" . . "t" . "rifamycin SV" . "rifamycin SV" . . "f" . "dihydrokainate" . "dihydrokainate" . . "f" . "carboxyatractyloside" . "carboxyatractyloside" . . "f" . "threo-3-methylglutamate" . "threo-3-methylglutamate" . . "f" . "MDMA" . "MDMA" . . "f" . "[14C]TEA" . "[14C]TEA" . . "f" . "LP-403812" . "LP-403812" . . "f" . "bilirubin" . "bilirubin" . . "f" . "GDP-fucose" . "GDP-fucose" . . "f" . "evans blue dye" . "evans blue dye" . . "f" . "thiamine monophosphate" . "thiamine monophosphate" . . "f" . "thymine" . "thymine" . . "f" . "Org 24598" . "Org 24598" . . "f" . "NPTS" . "NPTS" . . "f" . "[3H](R)-NPTS" . "[3H](R)-NPTS" . . "f" . "zebularine" . "zebularine" . . "t" . "canagliflozin" . "canagliflozin" . . "f" . "(R/S) EF-1500" . "(R/S) EF-1500" . . "f" . "[35S]ACPPB" . "[35S]ACPPB" . . "f" . "octanoic acid" . "octanoic acid" . . "f" . "N-ethyl-1-deoxynojirimycin" . "N-ethyl-1-deoxynojirimycin" . . "f" . "sergliflozin" . "sergliflozin" . . "f" . "remogliflozin" . "remogliflozin" . . "f" . "DIOA" . "DIOA" . . "f" . "draflazine" . "draflazine" . . "f" . "[3H]mazindol" . "[3H]mazindol" . . "f" . "p-chloroamphetamine" . "p-chloroamphetamine" . . "f" . "CBDMB" . "CBDMB" . . "t" . "dapagliflozin" . "dapagliflozin" . . "f" . "MPA" . "MPA" . . "f" . "3,4-dichlorobenzamil" . "3,4-dichlorobenzamil" . . "f" . "GSK931145" . "GSK931145" . . "f" . "[14C]GlySar" . "[14C]GlySar" . . "f" . "[3H]N-methyl-SSR504734" . "[3H]N-methyl-SSR504734" . . "f" . "N-methyl-SSR504734" . "N-methyl-SSR504734" . . "f" . "[3H]WIN35428" . "[3H]WIN35428" . . "f" . "WIN35428" . "WIN35428" . . "f" . "rhodamine123" . "rhodamine123" . . "f" . "[11C]DTBZ" . "[11C]DTBZ" . . "f" . "UCPH-101" . "UCPH-101" . . "f" . "NNC052090" . "NNC052090" . . "f" . "CI-966" . "CI-966" . . "t" . "fenfluramine" . "fenfluramine" . . "f" . "5-fluorouridine" . "5-fluorouridine" . . "f" . "SEA0400" . "SEA0400" . . "f" . "(R)-NFPS" . "(R)-NFPS" . . "f" . "[3H]NFPS" . "[3H]NFPS" . . "f" . "NFPS" . "NFPS" . . "f" . "[3H]citalopram" . "[3H]citalopram" . . "f" . "ALX 1393" . "ALX 1393" . . "f" . "[14C]histidine" . "[14C]histidine" . . "f" . "[14C]methylamine" . "[14C]methylamine" . . "f" . "L-β-BA" . "L-β-BA" . . "f" . "NBI-59159" . "NBI-59159" . . "f" . "[125I]thyroxine" . "[125I]thyroxine" . . "f" . "[3H]thiamine" . "[3H]thiamine" . . "f" . "thiamine" . "thiamine" . . "f" . "cordycepin" . "cordycepin" . . "f" . "DL-TBOA" . "DL-TBOA" . . "f" . "amanitin" . "amanitin" . . "f" . "[14C]glutamine" . "[14C]glutamine" . . "f" . "[3H]glutamine" . "[3H]glutamine" . . "f" . "[14C]glycine" . "[14C]glycine" . . "f" . "[3H]nisoxetine" . "[3H]nisoxetine" . . "f" . "nisoxetine" . "nisoxetine" . . "f" . "[3H]GBR12935" . "[3H]GBR12935" . . "f" . "GBR12935" . "GBR12935" . . "f" . "α-MDG" . "α-MDG" . . "f" . "1-deoxynojirimycin" . "1-deoxynojirimycin" . . "f" . "[3H]2-deoxyglucose" . "[3H]2-deoxyglucose" . . "f" . "sialic acid" . "sialic acid" . . "f" . "D-chiro-inositol" . "D-chiro-inositol" . . "f" . "D-galactose" . "D-galactose" . . "f" . "glucose 6-phosphate" . "glucose 6-phosphate" . . "f" . "muco-inositol" . "muco-inositol" . . "f" . "scyllo-inositol" . "scyllo-inositol" . . "f" . "D-mannose" . "D-mannose" . . "f" . "D-ascorbic acid" . "D-ascorbic acid" . . "f" . "N-methyl-pyridinium-2-aldoxime" . "N-methyl-pyridinium-2-aldoxime" . . "f" . "D-fructose" . "D-fructose" . . "f" . "L-azetidine-2-carboxylate" . "L-azetidine-2-carboxylate" . . "f" . "5-aminosalicylate" . "5-aminosalicylate" . . "f" . "α-ketoisocaproate" . "α-ketoisocaproate" . . "f" . "α-oxoadipic acid" . "α-oxoadipic acid" . . "f" . "N1-methylnicotinamide" . "N1-methylnicotinamide" . . "f" . "[3H]GlySar" . "[3H]GlySar" . . "f" . "acetamide" . "acetamide" . . "f" . "methylurea" . "methylurea" . . "f" . "CMP-sialic acid" . "CMP-sialic acid" . . "f" . "talinolol" . "talinolol" . . "f" . "VU0240551" . "VU0240551" . . "f" . "SN6" . "SN6" . . "f" . "Org 25543" . "Org 25543" . . "f" . "pantothenic acid" . "pantothenic acid" . . "f" . "NNC-711" . "NNC-711" . . "f" . "[3H]histidine" . "[3H]histidine" . . "f" . "5-hydroxy-L-tryptophan" . "5-hydroxy-L-tryptophan" . . "f" . "ochratoxin A" . "ochratoxin A" . . "f" . "[3H]methotrexate" . "[3H]methotrexate" . . "f" . "tetrahydrofolic acid" . "tetrahydrofolic acid" . . "f" . "D-proline" . "D-proline" . . "f" . "SNAP-5114" . "SNAP-5114" . . "f" . "D-alanine" . "D-alanine" . . "f" . "D-histidine" . "D-histidine" . . "f" . "D-arginine" . "D-arginine" . . "f" . "D-lysine" . "D-lysine" . . "f" . "D-ornithine" . "D-ornithine" . . "f" . "D-citrulline" . "D-citrulline" . . "f" . "N5-methylfolate" . "N5-methylfolate" . . "f" . "[3H]tiagabine" . "[3H]tiagabine" . . "f" . "[3H]estradiol-17β-glucuronide" . "[3H]estradiol-17β-glucuronide" . . "f" . "glycyrrhizin" . "glycyrrhizin" . . "f" . "bongkrek acid" . "bongkrek acid" . . "f" . "orotic acid" . "orotic acid" . . "f" . "guvacine" . "guvacine" . . "f" . "phosphoenolpyruvic acid" . "phosphoenolpyruvic acid" . . "f" . "α-methyl-D,L-tryptophan" . "α-methyl-D,L-tryptophan" . . "f" . "1-methyltryptophan" . "1-methyltryptophan" . . "f" . "2-amino-3-sulfinopropanoic acid" . "2-amino-3-sulfinopropanoic acid" . . "f" . "MeAIB" . "MeAIB" . . "f" . "[3H]D-aspartic acid" . "[3H]D-aspartic acid" . . "f" . "β-L-hydroxybutyric acid" . "β-L-hydroxybutyric acid" . . "f" . "BCH" . "BCH" . . "f" . "1,2,3-benzenetricarboxylic acid" . "1,2,3-benzenetricarboxylic acid" . . "f" . "4-AMBA" . "4-AMBA" . . "f" . "pyroglutamic acid" . "pyroglutamic acid" . . "f" . "trans-4-hydroxy-proline" . "trans-4-hydroxy-proline" . . "f" . "SKF89976A" . "SKF89976A" . . "f" . "β-guanidinopropionic acid" . "β-guanidinopropionic acid" . . "f" . "D-glutamic acid" . "D-glutamic acid" . . "f" . "indole-3-propionic acid" . "indole-3-propionic acid" . . "f" . "γ-linolenic acid" . "γ-linolenic acid" . . "t" . "digoxin" . "digoxin" . . "f" . "THPO" . "THPO" . . "t" . "γ-hydroxybutyric acid" . "γ-hydroxybutyric acid" . . "f" . "LY2365109" . "LY2365109" . . "f" . "sarcosine" . "sarcosine" . . "f" . "glycodeoxycholic acid" . "glycodeoxycholic acid" . . "f" . "glycoursodeoxycholic acid" . "glycoursodeoxycholic acid" . . "t" . "valganciclovir" . "valganciclovir" . . "f" . "dilazep" . "dilazep" . . "f" . "thymidine" . "thymidine" . . "f" . "L-glucose" . "L-glucose" . . "f" . "L-xylose" . "L-xylose" . . "f" . "L-fucose" . "L-fucose" . . "f" . "D-fucose" . "D-fucose" . . "f" . "glucuronic acid" . "glucuronic acid" . . "f" . "D-xylose" . "D-xylose" . . "f" . "[3H]digoxin" . "[3H]digoxin" . . "f" . "cytidine" . "cytidine" . . "f" . "UDP-xylose" . "UDP-xylose" . . "f" . "uric acid" . "uric acid" . . "f" . "dehydroascorbic acid" . "dehydroascorbic acid" . . "f" . "KF24345" . "KF24345" . . "f" . "microcystin-LR" . "microcystin-LR" . . "f" . "phalloidin" . "phalloidin" . . "f" . "formycin B" . "formycin B" . . "f" . "naringin" . "naringin" . . "f" . "formamide" . "formamide" . . "f" . "glycerol 3-phosphate" . "glycerol 3-phosphate" . . "f" . "UDP-N-acetylgalactosamine" . "UDP-N-acetylgalactosamine" . . "f" . "piretanide" . "piretanide" . . "t" . "sildenafil" . "sildenafil" . . "f" . "1-deoxynojirimycin-1-sulfonic acid" . "1-deoxynojirimycin-1-sulfonic acid" . . "f" . "vesamicol" . "vesamicol" . . "f" . "triethylcholine" . "triethylcholine" . . "f" . "[123I]iodobenzovesamicol" . "[123I]iodobenzovesamicol" . . "f" . "tauroursodeoxycholic acid" . "tauroursodeoxycholic acid" . . "f" . "taurochenodeoxycholic acid" . "taurochenodeoxycholic acid" . . "f" . "[3H]estrone-3-sulphate" . "[3H]estrone-3-sulphate" . . "t" . "estrone-3-sulphate" . "estrone-3-sulphate" . . "f" . "L-valinol" . "L-valinol" . . "f" . "L-leucinol" . "L-leucinol" . . "f" . "L-phenylalaninol" . "L-phenylalaninol" . . "t" . "empagliflozin" . "empagliflozin" . . "f" . "tubercidin" . "tubercidin" . . "f" . "LU32-176B" . "LU32-176B" . . "f" . "phlorizin" . "phlorizin" . . "f" . "[3H]vesamicol" . "[3H]vesamicol" . . "f" . "[125I]7-azido-8-iodoketanserine" . "[125I]7-azido-8-iodoketanserine" . . "f" . "[125I]iodovinyl-TBZ" . "[125I]iodovinyl-TBZ" . . "f" . "[3H]CCK-8 (human, mouse, rat)" . "[3H]CCK-8 (human, mouse, rat)" . . "f" . "[3H]TBZOH" . "[3H]TBZOH" . . "f" . "ALX 1405" . "ALX 1405" . . "f" . "aminobenzovesamicol" . "aminobenzovesamicol" . . "f" . "chenodeoxycholyl-Nε-nitrobenzoxadiazol-lysine" . "chenodeoxycholyl-Nε-nitrobenzoxadiazol-lysine" . . "f" . "N-(4'-pentanonyl)-4-(4''-dimethylamino-styryl)pyridinium" . "N-(4'-pentanonyl)-4-(4''-dimethylamino-styryl)pyridinium" . . "f" . "SSR-103800" . "SSR-103800" . . "t" . "metformin" . "metformin" . . "f" . "L-carnitine" . "L-carnitine" . . "f" . "L-ascorbic acid" . "L-ascorbic acid" . . "f" . "L-cysteine" . "L-cysteine" . . "f" . "activin AB" . "activin AB" . . "f" . "activin B" . "activin B" . . "t" . "guanidine" . "guanidine" . . "t" . "5-aminolevulinic acid" . "5-aminolevulinic acid" . . "f" . "L-threonine" . "L-threonine" . . "f" . "S-adenosyl methionine" . "S-adenosyl methionine" . . "f" . "biotin" . "biotin" . . "f" . "adenine" . "adenine" . . "t" . "5-fluorouracil" . "5-fluorouracil" . . "t" . "paroxetine" . "paroxetine" . . "f" . "L-tyrosine" . "L-tyrosine" . . "t" . "nomifensine" . "nomifensine" . . "t" . "gemcitabine" . "gemcitabine" . . "f" . "L-valine" . "L-valine" . . "t" . "ketoprofen" . "ketoprofen" . . "f" . "growth/differentiation factor-5" . "growth/differentiation factor-5" . . "f" . "BMP-6" . "BMP-6" . . "t" . "penicillin G" . "penicillin G" . . "t" . "mazindol" . "mazindol" . . "t" . "sertraline" . "sertraline" . . "t" . "cladribine" . "cladribine" . . "t" . "pyrimethamine" . "pyrimethamine" . . "t" . "floxuridine" . "floxuridine" . . "t" . "fludarabine" . "fludarabine" . . "t" . "methamphetamine" . "methamphetamine" . . "t" . "amphetamine" . "amphetamine" . . "f" . "BMP-15" . "BMP-15" . . "t" . "pentostatin" . "pentostatin" . . "t" . "vidarabine" . "vidarabine" . . "t" . "dipyridamole" . "dipyridamole" . . "t" . "reboxetine" . "reboxetine" . . "f" . "pyruvic acid" . "pyruvic acid" . . "t" . "aminohippuric acid" . "aminohippuric acid" . . "t" . "cyclacillin" . "cyclacillin" . . "t" . "procainamide" . "procainamide" . . "t" . "aliskiren" . "aliskiren" . . "t" . "saquinavir" . "saquinavir" . . "f" . "L-methionine" . "L-methionine" . . "t" . "methotrexate" . "methotrexate" . . "t" . "folinic acid" . "folinic acid" . . "f" . "BMP-2" . "BMP-2" . . "t" . "tiagabine" . "tiagabine" . . "t" . "fexofenadine" . "fexofenadine" . . "t" . "fenoprofen" . "fenoprofen" . . "t" . "vigabatrin" . "vigabatrin" . . "f" . "lipoic acid" . "lipoic acid" . . "t" . "reserpine" . "reserpine" . . "t" . "valacyclovir" . "valacyclovir" . . "t" . "zidovudine" . "zidovudine" . . "t" . "ouabain" . "ouabain" . . "t" . "cytarabine" . "cytarabine" . . "f" . "BMP-3" . "BMP-3" . . "f" . "BMP-4" . "BMP-4" . . "f" . "5'-GMP" . "5'-GMP" . . "t" . "zalcitabine" . "zalcitabine" . . "t" . "aciclovir" . "aciclovir" . . "t" . "cephradine" . "cephradine" . . "t" . "cefadroxil" . "cefadroxil" . . "t" . "cephalexin" . "cephalexin" . . "t" . "didanosine" . "didanosine" . . "t" . "furosemide" . "furosemide" . . "f" . "ASN04421891" . "ASN04421891" . . "t" . "tetrabenazine" . "tetrabenazine" . . "t" . "chlorothiazide" . "chlorothiazide" . . "t" . "hydrochlorothiazide" . "hydrochlorothiazide" . . "t" . "bumetanide" . "bumetanide" . . "t" . "metolazone" . "metolazone" . . "f" . "A-71915" . "A-71915" . . "f" . "activin A" . "activin A" . . "f" . "BMP-5" . "BMP-5" . . "t" . "sulfasalazine" . "sulfasalazine" . . "t" . "miglustat" . "miglustat" . . "t" . "miglitol" . "miglitol" . . "f" . "indocyanine green" . "indocyanine green" . . "f" . "[125I]ANP (human)" . "[125I]ANP (human)" . . "f" . "[125I]BDNF (human)" . "[125I]BDNF (human)" . . "f" . "[125I]CNP (human)" . "[125I]CNP (human)" . . "f" . "[125I]EGF (human)" . "[125I]EGF (human)" . . "f" . "[125I]NGF (human)" . "[125I]NGF (human)" . . "f" . "[125I]Sta" . "[125I]Sta" . . "f" . "[125I]GDNF (rat)" . "[125I]GDNF (rat)" . . "f" . "[Asu7,23']β-ANP-(7-28)" . "[Asu7,23']β-ANP-(7-28)" . . "f" . "[Ser11](N-CNP,C-ANP)pBNP2-15" . "[Ser11](N-CNP,C-ANP)pBNP2-15" . . "f" . "E. coli heat-stable enterotoxin (STa)" . "E. coli heat-stable enterotoxin (STa)" . . "f" . "5'-fluoroindirubinoxime" . "5'-fluoroindirubinoxime" . . "t" . "adalimumab" . "adalimumab" . . "f" . "AF12198" . "AF12198" . . "f" . "AG1478" . "AG1478" . . "f" . "AG879" . "AG879" . . "f" . "amphiregulin" . "amphiregulin" . . "f" . "amyloid β" . "amyloid β" . . "f" . "anantin" . "anantin" . . "f" . "angiopoietin-1" . "angiopoietin-1" . . "f" . "angiopoietin-4" . "angiopoietin-4" . . "f" . "atrial natriuretic peptide" . "atrial natriuretic peptide" . . "f" . "AP811" . "AP811" . . "f" . "artemin" . "artemin" . . "f" . "BDNF" . "BDNF" . . "f" . "betacellulin" . "betacellulin" . . "f" . "BMP-10" . "BMP-10" . . "f" . "growth/differentiation factor-11" . "growth/differentiation factor-11" . . "f" . "growth/differentiation factor-7" . "growth/differentiation factor-7" . . "f" . "growth/differentiation factor-6" . "growth/differentiation factor-6" . . "f" . "BMP-7" . "BMP-7" . . "f" . "BMP-8A" . "BMP-8A" . . "f" . "BMP-8B" . "BMP-8B" . . "f" . "BMP-9" . "BMP-9" . . "t" . "brain natriuretic peptide" . "brain natriuretic peptide" . . "f" . "B and T lymphocyte attenuator" . "B and T lymphocyte attenuator" . . "f" . "cANF4-23" . "cANF4-23" . . "f" . "choriomammotropin" . "choriomammotropin" . . "f" . "chorionic somatomammotropin hormone-like 1 " . "chorionic somatomammotropin hormone-like 1 " . . "f" . "cardiotrophin-like cytokine factor 1" . "cardiotrophin-like cytokine factor 1" . . "f" . "C-type natriuretic peptide" . "C-type natriuretic peptide" . . "f" . "ciliary neurotrophic factor" . "ciliary neurotrophic factor" . . "f" . "COL1A1" . "COL1A1" . . "f" . "COL2A1" . "COL2A1" . . "f" . "COL3A1" . "COL3A1" . . "f" . "COL4A1" . "COL4A1" . . "f" . "ephrin-B2" . "ephrin-B2" . . "t" . "crizotinib" . "crizotinib" . . "f" . "cytokine receptor-like factor 1" . "cytokine receptor-like factor 1" . . "f" . "M-CSF" . "M-CSF" . . "f" . "cardiotrophin-1" . "cardiotrophin-1" . . "f" . "dorsomorphin" . "dorsomorphin" . . "f" . "ephrin-A1" . "ephrin-A1" . . "f" . "ephrin-A2" . "ephrin-A2" . . "f" . "ephrin-A3" . "ephrin-A3" . . "f" . "ephrin-A4" . "ephrin-A4" . . "f" . "ephrin-A5" . "ephrin-A5" . . "f" . "ephrin-B1" . "ephrin-B1" . . "f" . "ephrin-B3" . "ephrin-B3" . . "f" . "EGF" . "EGF" . . "f" . "epigen" . "epigen" . . "f" . "epiregulin" . "epiregulin" . . "f" . "eritoran" . "eritoran" . . "t" . "erlotinib" . "erlotinib" . . "t" . "erythropoietin" . "erythropoietin" . . "f" . "FGF-1" . "FGF-1" . . "f" . "FGF-2" . "FGF-2" . . "f" . "FGF-4" . "FGF-4" . . "f" . "flagellin" . "flagellin" . . "f" . "Fms-related tyrosine kinase 3 ligand" . "Fms-related tyrosine kinase 3 ligand" . . "f" . "follistatin" . "follistatin" . . "t" . "G-CSF" . "G-CSF" . . "f" . "growth arrest specific protein 6" . "growth arrest specific protein 6" . . "f" . "growth/differentiation factor-1" . "growth/differentiation factor-1" . . "f" . "growth/differentiation factor-10" . "growth/differentiation factor-10" . . "f" . "growth/differentiation factor-3" . "growth/differentiation factor-3" . . "f" . "growth/differentiation factor-9" . "growth/differentiation factor-9" . . "f" . "GDNF" . "GDNF" . . "t" . "gefitinib" . "gefitinib" . . "f" . "HEMADO" . "HEMADO" . . "f" . "GM-CSF" . "GM-CSF" . . "t" . "growth hormone 1" . "growth hormone 1" . . "f" . "growth hormone 2" . "growth hormone 2" . . "f" . "guanylin" . "guanylin" . . "f" . "GW441756" . "GW441756" . . "f" . "GW583340" . "GW583340" . . "f" . "HB-EGF" . "HB-EGF" . . "f" . "hepatocyte growth factor" . "hepatocyte growth factor" . . "f" . "hepatocyte growth factor alpha chain" . "hepatocyte growth factor alpha chain" . . "f" . "hepatocyte growth factor beta chain" . "hepatocyte growth factor beta chain" . . "f" . "HS-142-1" . "HS-142-1" . . "f" . "hsp60" . "hsp60" . . "f" . "hyaluronan" . "hyaluronan" . . "f" . "IFN-α1/13" . "IFN-α1/13" . . "f" . "IFN-α10" . "IFN-α10" . . "f" . "IFN-α14" . "IFN-α14" . . "f" . "IFN-α16" . "IFN-α16" . . "f" . "IFN-α17" . "IFN-α17" . . "t" . "IFN-α2" . "IFN-α2" . . "f" . "insulin B chain" . "insulin B chain" . . "f" . "IFN-α21" . "IFN-α21" . . "f" . "IFN-α4" . "IFN-α4" . . "f" . "IFN-α5" . "IFN-α5" . . "f" . "IFN-α6" . "IFN-α6" . . "f" . "IFN-α7" . "IFN-α7" . . "f" . "IFN-α8" . "IFN-α8" . . "f" . "IFN-β" . "IFN-β" . . "f" . "IFN-λ2" . "IFN-λ2" . . "f" . "5'-inosine monophosphate" . "5'-inosine monophosphate" . . "t" . "IFN-γ" . "IFN-γ" . . "f" . "IFN-κ" . "IFN-κ" . . "f" . "IFN-ω" . "IFN-ω" . . "t" . "insulin-like growth factor 1" . "insulin-like growth factor 1" . . "f" . "insulin-like growth factor 2" . "insulin-like growth factor 2" . . "f" . "IL-1α" . "IL-1α" . . "f" . "IFN-λ3" . "IFN-λ3" . . "f" . "IL-1β" . "IL-1β" . . "f" . "IL-10" . "IL-10" . . "f" . "IL-11" . "IL-11" . . "f" . "IL-12" . "IL-12" . . "f" . "IL-23" . "IL-23" . . "f" . "IL-13" . "IL-13" . . "f" . "IFN-λ1" . "IFN-λ1" . . "f" . "IL-15" . "IL-15" . . "f" . "IL-17A" . "IL-17A" . . "f" . "IL-18" . "IL-18" . . "f" . "IL-19" . "IL-19" . . "t" . "IL-2" . "IL-2" . . "f" . "IL-3" . "IL-3" . . "f" . "IL-20" . "IL-20" . . "f" . "IL-21" . "IL-21" . . "f" . "IL-22" . "IL-22" . . "f" . "IL-23A" . "IL-23A" . . "f" . "IL-24" . "IL-24" . . "f" . "5'-UMP" . "5'-UMP" . . "f" . "6-fluorotryptophan" . "6-fluorotryptophan" . . "f" . "IL-31" . "IL-31" . . "f" . "IL-4" . "IL-4" . . "f" . "IL-5" . "IL-5" . . "f" . "IL-6" . "IL-6" . . "f" . "IL-7" . "IL-7" . . "f" . "IL-9" . "IL-9" . . "f" . "IL-12A" . "IL-12A" . . "f" . "IL-12B" . "IL-12B" . . "t" . "imiquimod" . "imiquimod" . . "t" . "infliximab" . "infliximab" . . "f" . "inhibin α" . "inhibin α" . . "f" . "inhibin βA" . "inhibin βA" . . "f" . "inhibin βB" . "inhibin βB" . . "f" . "inhibin βC" . "inhibin βC" . . "f" . "inhibin βE" . "inhibin βE" . . "f" . "inhibin A" . "inhibin A" . . "f" . "inhibin B" . "inhibin B" . . "t" . "insulin" . "insulin" . . "f" . "insulin A chain" . "insulin A chain" . . "f" . "LIF" . "LIF" . . "t" . "linaclotide" . "linaclotide" . . "f" . "loxoribine" . "loxoribine" . . "f" . "LPS" . "LPS" . . "f" . "M372049" . "M372049" . . "f" . "meso-DAP" . "meso-DAP" . . "f" . "macrophage stimulating protein 1" . "macrophage stimulating protein 1" . . "f" . "muramyl dipeptide" . "muramyl dipeptide" . . "f" . "myostatin" . "myostatin" . . "f" . "poly(I:C)" . "poly(I:C)" . . "f" . "7NI" . "7NI" . . "t" . "NGF" . "NGF" . . "f" . "neuregulin-1" . "neuregulin-1" . . "f" . "neuregulin-2" . "neuregulin-2" . . "f" . "neuregulin-3" . "neuregulin-3" . . "f" . "neuregulin-4" . "neuregulin-4" . . "f" . "neurturin" . "neurturin" . . "f" . "neurotrophin-3" . "neurotrophin-3" . . "f" . "neurotrophin-4" . "neurotrophin-4" . . "f" . "oncostatin M" . "oncostatin M" . . "f" . "osteocrin" . "osteocrin" . . "f" . "PD173074" . "PD173074" . . "t" . "PDGF BB" . "PDGF BB" . . "f" . "PDGF AB" . "PDGF AB" . . "f" . "PDGFA" . "PDGFA" . . "f" . "PDGFB" . "PDGFB" . . "f" . "peptidoglycan" . "peptidoglycan" . . "f" . "persephin" . "persephin" . . "t" . "pertuzumab" . "pertuzumab" . . "f" . "PQ401" . "PQ401" . . "f" . "protein S" . "protein S" . . "f" . "resiquimod" . "resiquimod" . . "f" . "Ro26-4550" . "Ro26-4550" . . "f" . "sANP" . "sANP" . . "f" . "stem cell factor" . "stem cell factor" . . "f" . "semaxanib" . "semaxanib" . . "f" . "SU11274" . "SU11274" . . "f" . "TGFα" . "TGFα" . . "f" . "α-methylphenylalanine" . "α-methylphenylalanine" . . "f" . "ST-1535" . "ST-1535" . . "f" . "TGFβ1" . "TGFβ1" . . "f" . "TGFβ2" . "TGFβ2" . . "f" . "TGFβ3" . "TGFβ3" . . "f" . "thrombopoietin" . "thrombopoietin" . . "f" . "lymphotoxin-α" . "lymphotoxin-α" . . "f" . "TRAIL" . "TRAIL" . . "f" . "RANK ligand" . "RANK ligand" . . "f" . "TWEAK" . "TWEAK" . . "f" . "5'-dAMP" . "5'-dAMP" . . "f" . "APRIL" . "APRIL" . . "f" . "BAFF" . "BAFF" . . "f" . "LIGHT" . "LIGHT" . . "f" . "TL1A" . "TL1A" . . "f" . "TL6" . "TL6" . . "f" . "Ga-DOTA-NOC" . "Ga-DOTA-NOC" . . "f" . "tumour necrosis factor membrane form" . "tumour necrosis factor membrane form" . . "f" . "tumour necrosis factor shed form" . "tumour necrosis factor shed form" . . "f" . "lymphotoxin-β" . "lymphotoxin-β" . . "f" . "OX-40 ligand" . "OX-40 ligand" . . "f" . "CD40 ligand" . "CD40 ligand" . . "f" . "Fas ligand" . "Fas ligand" . . "f" . "CD70" . "CD70" . . "f" . "CD30 ligand" . "CD30 ligand" . . "f" . "4-1BB ligand" . "4-1BB ligand" . . "f" . "S-adenosyl-L-methioninamine" . "S-adenosyl-L-methioninamine" . . "f" . "5'-dGMP" . "5'-dGMP" . . "t" . "trastuzumab" . "trastuzumab" . . "f" . "thymic stromal lymphopoietin" . "thymic stromal lymphopoietin" . . "f" . "uroguanylin" . "uroguanylin" . . "f" . "VEGFA" . "VEGFA" . . "f" . "VEGFB" . "VEGFB" . . "f" . "VEGFC" . "VEGFC" . . "f" . "VEGFD" . "VEGFD" . . "f" . "VEGFE" . "VEGFE" . . "f" . "YM90709" . "YM90709" . . "f" . "Nω-hydroxy-nor-L-arginine" . "Nω-hydroxy-nor-L-arginine" . . "f" . "αβ-methyleneADP" . "αβ-methyleneADP" . . "t" . "methyltyrosine" . "methyltyrosine" . . "f" . "α-propyldopacetamide" . "α-propyldopacetamide" . . "f" . "[3H]cAMP" . "[3H]cAMP" . . "f" . "m3M3FBS" . "m3M3FBS" . . "f" . "1,4,-IP2" . "1,4,-IP2" . . "f" . "1,5,-IP2" . "1,5,-IP2" . . "f" . "11-deoxycortisol" . "11-deoxycortisol" . . "f" . "12R-HPETE" . "12R-HPETE" . . "f" . "1400W" . "1400W" . . "f" . "17α-hydroxypregnenolone" . "17α-hydroxypregnenolone" . . "f" . "17α-hydroxyprogesterone" . "17α-hydroxyprogesterone" . . "f" . "18S-HEPE" . "18S-HEPE" . . "f" . "18S-resolvin E1" . "18S-resolvin E1" . . "f" . "2(S)-amino-6-boronohexanoic acid" . "2(S)-amino-6-boronohexanoic acid" . . "f" . "2',5'-dideoxyadenosine" . "2',5'-dideoxyadenosine" . . "f" . "2'-deoxyadenosine" . "2'-deoxyadenosine" . . "f" . "2'-deoxyinosine" . "2'-deoxyinosine" . . "f" . "2-amino-4-methylpyridine" . "2-amino-4-methylpyridine" . . "f" . "2-oleoyl glycerol" . "2-oleoyl glycerol" . . "f" . "3-bromo-7NI" . "3-bromo-7NI" . . "f" . "3-chlorotyrosine" . "3-chlorotyrosine" . . "f" . "3-deazaadenosine" . "3-deazaadenosine" . . "f" . "3-hydroxybenzylhydrazine" . "3-hydroxybenzylhydrazine" . . "f" . "3-iodotyrosine" . "3-iodotyrosine" . . "f" . "4,5,-IP2" . "4,5,-IP2" . . "f" . "9α,11β-prostaglandin F2α" . "9α,11β-prostaglandin F2α" . . "f" . "A134974" . "A134974" . . "f" . "ABT702" . "ABT702" . . "f" . "Abz-Ser-Pro-Tyr(NO2)-OH" . "Abz-Ser-Pro-Tyr(NO2)-OH" . . "f" . "acadesine" . "acadesine" . . "f" . "AMA" . "AMA" . . "f" . "aminoguanidine" . "aminoguanidine" . . "f" . "aminooxyacetic acid" . "aminooxyacetic acid" . . "t" . "anastrozole" . "anastrozole" . . "f" . "angiotensin-(1-9)" . "angiotensin-(1-9)" . . "f" . "APA" . "APA" . . "f" . "ARP100" . "ARP100" . . "f" . "ataciguat" . "ataciguat" . . "f" . "arachidonyl trifluoromethyl ketone" . "arachidonyl trifluoromethyl ketone" . . "f" . "AZ10417808" . "AZ10417808" . . "f" . "baicalein" . "baicalein" . . "f" . "L-argininosuccinic acid" . "L-argininosuccinic acid" . . "f" . "batimastat" . "batimastat" . . "f" . "BAY412272" . "BAY412272" . . "f" . "BAY607550" . "BAY607550" . . "f" . "BAY-X1005" . "BAY-X1005" . . "f" . "bromoenol lactone" . "bromoenol lactone" . . "t" . "benserazide" . "benserazide" . . "f" . "bestatin" . "bestatin" . . "f" . "BH3 interacting-domain death agonist" . "BH3 interacting-domain death agonist" . . "f" . "biliverdin" . "biliverdin" . . "f" . "BRL50481" . "BRL50481" . . "f" . "caffeic acid" . "caffeic acid" . . "f" . "calphostin C" . "calphostin C" . . "f" . "camonagrel" . "camonagrel" . . "f" . "vitamin K hydroquinone" . "vitamin K hydroquinone" . . "f" . "guanidoacetic acid" . "guanidoacetic acid" . . "t" . "captopril" . "captopril" . . "t" . "carbidopa" . "carbidopa" . . "f" . "CCP" . "CCP" . . "f" . "CDC" . "CDC" . . "f" . "CGP53353" . "CGP53353" . . "f" . "chromogranin A" . "chromogranin A" . . "t" . "cilastatin" . "cilastatin" . . "f" . "cilostamide" . "cilostamide" . . "f" . "cinaciguat" . "cinaciguat" . . "f" . "CJ13610" . "CJ13610" . . "f" . "CL82198" . "CL82198" . . "f" . "cortisone" . "cortisone" . . "f" . "8-pCPT-2'-O-Me-cAMP" . "8-pCPT-2'-O-Me-cAMP" . . "f" . "cystathionine" . "cystathionine" . . "f" . "Rho GDP dissociation inhibitor beta" . "Rho GDP dissociation inhibitor beta" . . "f" . "dazoxiben" . "dazoxiben" . . "f" . "compound 5g [PMID: 21571530]" . "compound 5g [PMID: 21571530]" . . "t" . "eflornithine" . "eflornithine" . . "f" . "DRB" . "DRB" . . "f" . "EHNA" . "EHNA" . . "f" . "esculetin" . "esculetin" . . "t" . "fasudil" . "fasudil" . . "f" . "fisetin" . "fisetin" . . "f" . "5-LOX activating protein" . "5-LOX activating protein" . . "f" . "flavin adenine dinucleotide" . "flavin adenine dinucleotide" . . "f" . "flavin mononucleotide" . "flavin mononucleotide" . . "f" . "FLICE-like inhibitory protein" . "FLICE-like inhibitory protein" . . "f" . "FLICE-like inhibitory protein subunit p12" . "FLICE-like inhibitory protein subunit p12" . . "f" . "FLICE-like inhibitory protein subunit p43" . "FLICE-like inhibitory protein subunit p43" . . "f" . "FMH" . "FMH" . . "f" . "forskolin" . "forskolin" . . "f" . "FR122047" . "FR122047" . . "f" . "Gö 6983" . "Gö 6983" . . "f" . "GF109203X" . "GF109203X" . . "f" . "glucagon-like peptide 1" . "glucagon-like peptide 1" . . "f" . "glycerol" . "glycerol" . . "f" . "GSK690693" . "GSK690693" . . "f" . "Hip-His Leu" . "Hip-His Leu" . . "f" . "L-homocysteine" . "L-homocysteine" . . "f" . "IP4" . "IP4" . . "f" . "inositol 1-phosphate" . "inositol 1-phosphate" . . "f" . "inositol 3-phosphate" . "inositol 3-phosphate" . . "f" . "inositol 4-phosphate" . "inositol 4-phosphate" . . "f" . "JNJ1661010" . "JNJ1661010" . . "f" . "VU0364739" . "VU0364739" . . "f" . "JZL184" . "JZL184" . . "f" . "L690330" . "L690330" . . "t" . "letrozole" . "letrozole" . . "f" . "liarozole" . "liarozole" . . "t" . "Li+" . "Li+" . . "f" . "L-NAME" . "L-NAME" . . "f" . "LTA4" . "LTA4" . . "f" . "luteolin" . "luteolin" . . "f" . "LXB4" . "LXB4" . . "f" . "WAY170523" . "WAY170523" . . "t" . "L-α-methyldopa" . "L-α-methyldopa" . . "f" . "methyl arachidonyl fluorophosphonate" . "methyl arachidonyl fluorophosphonate" . . "f" . "malonyl-CoA" . "malonyl-CoA" . . "f" . "marimastat" . "marimastat" . . "f" . "MEA" . "MEA" . . "f" . "methyl arachidonate" . "methyl arachidonate" . . "f" . "methylmalonyl-CoA" . "methylmalonyl-CoA" . . "t" . "metyrapone" . "metyrapone" . . "f" . "WWL70" . "WWL70" . . "f" . "PDGFD" . "PDGFD" . . "t" . "milrinone" . "milrinone" . . "f" . "Nω-hydroxyarginine" . "Nω-hydroxyarginine" . . "f" . "N6 benzyl-cAMP" . "N6 benzyl-cAMP" . . "f" . "NG,NG-dimethyl-L-arginine" . "NG,NG-dimethyl-L-arginine" . . "t" . "naproxen" . "naproxen" . . "f" . "NIL" . "NIL" . . "f" . "NKH477" . "NKH477" . . "f" . "NKY80" . "NKY80" . . "f" . "ODQ" . "ODQ" . . "f" . "OL135" . "OL135" . . "f" . "oxalacetic acid" . "oxalacetic acid" . . "f" . "p122-RhoGAP" . "p122-RhoGAP" . . "f" . "PAC1" . "PAC1" . . "f" . "Y27632" . "Y27632" . . "t" . "paracetamol" . "paracetamol" . . "f" . "fenclonine" . "fenclonine" . . "f" . "PD98059" . "PD98059" . . "f" . "PETCM" . "PETCM" . . "f" . "PF3845" . "PF3845" . . "f" . "PF750" . "PF750" . . "f" . "PGG2" . "PGG2" . . "f" . "PIBTU" . "PIBTU" . . "f" . "propargylglycine" . "propargylglycine" . . "f" . "propionyl-CoA" . "propionyl-CoA" . . "f" . "pyridoxal 5-phosphate" . "pyridoxal 5-phosphate" . . "f" . "Rac1" . "Rac1" . . "f" . "Rac2" . "Rac2" . . "f" . "Rac3" . "Rac3" . . "f" . "retinoblastoma-associated protein" . "retinoblastoma-associated protein" . . "f" . "RHC80267" . "RHC80267" . . "f" . "ribosomal protein S6" . "ribosomal protein S6" . . "f" . "YC-1" . "YC-1" . . "f" . "YM976" . "YM976" . . "f" . "YS121" . "YS121" . . "f" . "Z-DEVD-FMK" . "Z-DEVD-FMK" . . "f" . "Z-DQMD-FMK" . "Z-DQMD-FMK" . . "t" . "riociguat" . "riociguat" . . "f" . "Ro20-1724" . "Ro20-1724" . . "f" . "Ro31-8220" . "Ro31-8220" . . "f" . "rolipram" . "rolipram" . . "f" . "Rp-8-CPT-cGMPS" . "Rp-8-CPT-cGMPS" . . "f" . "Rp-cAMPS" . "Rp-cAMPS" . . "f" . "ruboxistaurin" . "ruboxistaurin" . . "f" . "S-(2-boronoethyl)-L-cysteine" . "S-(2-boronoethyl)-L-cysteine" . . "f" . "S-adenosylhomocysteine" . "S-adenosylhomocysteine" . . "f" . "s-allylglycine" . "s-allylglycine" . . "f" . "sardomozide" . "sardomozide" . . "f" . "Z-IETD-FMK" . "Z-IETD-FMK" . . "f" . "SB203580" . "SB203580" . . "f" . "SCH51866" . "SCH51866" . . "f" . "SDMA" . "SDMA" . . "f" . "SM19712" . "SM19712" . . "f" . "SP600125" . "SP600125" . . "f" . "STO609" . "STO609" . . "f" . "T0156" . "T0156" . . "t" . "sapropterin" . "sapropterin" . . "f" . "angiopoietin-related protein 7" . "angiopoietin-related protein 7" . . "t" . "orlistat" . "orlistat" . . "f" . "thiorphan" . "thiorphan" . . "f" . "tin protoporphyrin IX" . "tin protoporphyrin IX" . . "f" . "TOFA" . "TOFA" . . "t" . "tranylcypromine" . "tranylcypromine" . . "f" . "U0126" . "U0126" . . "f" . "U73122" . "U73122" . . "t" . "vinpocetine" . "vinpocetine" . . "t" . "zileuton" . "zileuton" . . "f" . "Z-LEHD-FMK" . "Z-LEHD-FMK" . . "f" . "Z-VDVAD-FMK" . "Z-VDVAD-FMK" . . "f" . "Z-VEID-FMK" . "Z-VEID-FMK" . . "f" . "Z-WEHD-FMK" . "Z-WEHD-FMK" . . "f" . "Z-YVAD-FMK" . "Z-YVAD-FMK" . . "f" . "large neuromedin N" . "large neuromedin N" . . "f" . "large neuromedin N" . "large neuromedin N" . . "f" . "ADP-ribosylation factor 1" . "ADP-ribosylation factor 1" . . "f" . "KH28" . "KH28" . . "f" . "ABS-212" . "ABS-212" . . "f" . "ABS-201" . "ABS-201" . . "f" . "TIMP1" . "TIMP1" . . "f" . "TIMP2" . "TIMP2" . . "f" . "TIMP3" . "TIMP3" . . "f" . "TIMP4" . "TIMP4" . . "f" . "[3H]rolipram" . "[3H]rolipram" . . "f" . "placental growth factor" . "placental growth factor" . . "f" . "HGF-inhibitor 1" . "HGF-inhibitor 1" . . "f" . "angiopoietin-2" . "angiopoietin-2" . . "f" . "angiopoietin protein-like 1" . "angiopoietin protein-like 1" . . "f" . "agrin" . "agrin" . . "f" . "low-density lipoprotein receptor-related protein 4" . "low-density lipoprotein receptor-related protein 4" . . "t" . "ceftriaxone" . "ceftriaxone" . . "f" . "WAY-855" . "WAY-855" . . "f" . "(-)-HIP-A" . "(-)-HIP-A" . . "f" . "L-cysteate" . "L-cysteate" . . "f" . "mersalyl" . "mersalyl" . . "f" . "cytochalasin B" . "cytochalasin B" . . "f" . "N-ethylmaleimide" . "N-ethylmaleimide" . . "f" . "obestatin" . "obestatin" . . "t" . "primidone" . "primidone" . . "t" . "carbamazepine" . "carbamazepine" . . "f" . "RFRP-1" . "RFRP-1" . . "t" . "cisplatin" . "cisplatin" . . "f" . "(-)-α-thujone" . "(-)-α-thujone" . . "f" . "corynanthine" . "corynanthine" . . "f" . "quercetin" . "quercetin" . . "f" . "cytisine" . "cytisine" . . "f" . "epibatidine" . "epibatidine" . . "f" . "okadaic acid" . "okadaic acid" . . "f" . "cyclopiazonic acid" . "cyclopiazonic acid" . . "f" . "thapsigargin" . "thapsigargin" . . "f" . "parawixin 1" . "parawixin 1" . . "f" . "LVV-hemorphin" . "LVV-hemorphin" . . "f" . "galanin-(1-11)" . "galanin-(1-11)" . . "f" . "galanin(2-11)" . "galanin(2-11)" . . "f" . "galanin(5-29) (pig)" . "galanin(5-29) (pig)" . . "f" . "TFRGAP-NH2" . "TFRGAP-NH2" . . "f" . "SFLLRN-NH2" . "SFLLRN-NH2" . . "f" . "Bv8" . "Bv8" . . "f" . "hsp90β" . "hsp90β" . . "f" . "C3a des Arg" . "C3a des Arg" . . "f" . "angiotensin IV" . "angiotensin IV" . . "f" . "[32P]S1P" . "[32P]S1P" . . "f" . "Ga-KE88" . "Ga-KE88" . . "f" . "β-haemoglobin" . "β-haemoglobin" . . "f" . "β-catenin" . "β-catenin" . . "f" . "Wnt-inhibitory factor" . "Wnt-inhibitory factor" . . "f" . "RFRP-2" . "RFRP-2" . . "f" . "neuropeptide EI" . "neuropeptide EI" . . "f" . "neuropeptide GE" . "neuropeptide GE" . . "f" . "motilin-associated peptide" . "motilin-associated peptide" . . "f" . "bestrophin-3" . "bestrophin-3" . . "f" . "hepcidin-20" . "hepcidin-20" . . "f" . "[3H]CGP27492" . "[3H]CGP27492" . . "f" . "[3H]9-cis-retinoic acid" . "[3H]9-cis-retinoic acid" . . "f" . "[3H]tamoxifen" . "[3H]tamoxifen" . . "f" . "[3H]prazosin" . "[3H]prazosin" . . "f" . "[3H]brimonidine" . "[3H]brimonidine" . . "f" . "[3H]CGP12177" . "[3H]CGP12177" . . "f" . "[3H]dihydroalprenolol" . "[3H]dihydroalprenolol" . . "f" . "[125I]Tyr0-sauvagine" . "[125I]Tyr0-sauvagine" . . "f" . "[125I][Tyr26]galanin (rat/mouse)" . "[125I][Tyr26]galanin (rat/mouse)" . . "f" . "[125I][Tyr26]galanin (human)" . "[125I][Tyr26]galanin (human)" . . "f" . "[3H]YM298198" . "[3H]YM298198" . . "f" . "[3H]methoxymethyl-MTEP" . "[3H]methoxymethyl-MTEP" . . "f" . "[3H]LPA" . "[3H]LPA" . . "f" . "2-iodo-[125I]5MCA-NAT" . "2-iodo-[125I]5MCA-NAT" . . "f" . "[125I]relaxin (human)" . "[125I]relaxin (human)" . . "f" . "A-85380" . "A-85380" . . "f" . "[3H]d[D-Arg8]VP" . "[3H]d[D-Arg8]VP" . . "f" . "[3H]azietomidate" . "[3H]azietomidate" . . "f" . "[3H]αβ-meATP" . "[3H]αβ-meATP" . . "f" . "[35S]ATPγS" . "[35S]ATPγS" . . "f" . "[3H]A317491" . "[3H]A317491" . . "f" . "[3H]A804598" . "[3H]A804598" . . "f" . "[125I]RTI55" . "[125I]RTI55" . . "f" . "[3H]GABA" . "[3H]GABA" . . "f" . "sucrose" . "sucrose" . . "f" . "PGF1α" . "PGF1α" . . "f" . "L-cystine" . "L-cystine" . . "f" . "melanin" . "melanin" . . "f" . "GDPβS" . "GDPβS" . . "f" . "resolvin D2" . "resolvin D2" . . "f" . "exo-THPO" . "exo-THPO" . . "f" . "N-methyl-exo-THPO" . "N-methyl-exo-THPO" . . "f" . "N-acetyloxyethyl-exo-THPO" . "N-acetyloxyethyl-exo-THPO" . . "f" . "D-Ala-Lys-AMCA" . "D-Ala-Lys-AMCA" . . "f" . "AC45594" . "AC45594" . . "f" . "SID7969543" . "SID7969543" . . "f" . "cytosporone B" . "cytosporone B" . . "f" . "alphaxalone" . "alphaxalone" . . "f" . "γ-butyrolactone" . "γ-butyrolactone" . . "f" . "compound 7e [PMID: 21571530]" . "compound 7e [PMID: 21571530]" . . "f" . "In-NODAGATOC" . "In-NODAGATOC" . . "t" . "sulindac" . "sulindac" . . "f" . "13-HODE" . "13-HODE" . . "f" . "Paz-PC" . "Paz-PC" . . "f" . "azelaoyl-PAF" . "azelaoyl-PAF" . . "t" . "adapalene" . "adapalene" . . "f" . "Y134" . "Y134" . . "f" . "saccharin" . "saccharin" . . "f" . "cycloheximide" . "cycloheximide" . . "f" . "fananserin" . "fananserin" . . "f" . "LuAE51090" . "LuAE51090" . . "f" . "BQCA" . "BQCA" . . "f" . "ML169" . "ML169" . . "f" . "LY593093" . "LY593093" . . "f" . "talipexole" . "talipexole" . . "f" . "N-arachidonyl-D-alanine" . "N-arachidonyl-D-alanine" . . "f" . "C1-BODIPY-C12" . "C1-BODIPY-C12" . . "f" . "ASN02563583" . "ASN02563583" . . "t" . "guanabenz" . "guanabenz" . . "f" . "N-homo-γ-linolenoylethanolamine" . "N-homo-γ-linolenoylethanolamine" . . "f" . "N-docosatetra-7,10,13,16-enoylethanolamine" . "N-docosatetra-7,10,13,16-enoylethanolamine" . . "f" . "GS39783" . "GS39783" . . "f" . "L-cysteine sulphinic acid" . "L-cysteine sulphinic acid" . . "f" . "(S)-hexylhomoibotenic acid" . "(S)-hexylhomoibotenic acid" . . "f" . "4-methylhomoibotenic acid" . "4-methylhomoibotenic acid" . . "f" . "VPC32179" . "VPC32179" . . "f" . "N-acetylserotonin" . "N-acetylserotonin" . . "f" . "Ap5a" . "Ap5a" . . "f" . "Ap3a" . "Ap3a" . . "f" . "AGN 211334" . "AGN 211334" . . "f" . "PGF2-1-ethanolamide" . "PGF2-1-ethanolamide" . . "f" . "EPPTB" . "EPPTB" . . "t" . "methadone" . "methadone" . . "t" . "varenicline" . "varenicline" . . "t" . "etomidate" . "etomidate" . . "t" . "propofol" . "propofol" . . "f" . "salicylidene salicylhydrazide" . "salicylidene salicylhydrazide" . . "f" . "loreclezole" . "loreclezole" . . "f" . "tracazolate" . "tracazolate" . . "f" . "etifoxine" . "etifoxine" . . "t" . "stiripentol" . "stiripentol" . . "f" . "valerenic acid amide" . "valerenic acid amide" . . "f" . "ifenprodil" . "ifenprodil" . . "f" . "DAPI" . "DAPI" . . "t" . "felbamate" . "felbamate" . . "f" . "CGP61594" . "CGP61594" . . "f" . "CNQX" . "CNQX" . . "f" . "piperidine" . "piperidine" . . "f" . "minaxolone" . "minaxolone" . . "t" . "pentobarbitone" . "pentobarbitone" . . "f" . "toluene" . "toluene" . . "f" . "1-1-1-trichloroethane" . "1-1-1-trichloroethane" . . "t" . "gabapentin" . "gabapentin" . . "t" . "foscarnet" . "foscarnet" . . "f" . "dioleoylphosphatidic acid" . "dioleoylphosphatidic acid" . . "f" . "Ga-NODAGA-LM3" . "Ga-NODAGA-LM3" . . "t" . "pregabalin" . "pregabalin" . . "f" . "bucladesine" . "bucladesine" . . "f" . "BHQ" . "BHQ" . . "t" . "dexlansoprazole" . "dexlansoprazole" . . "t" . "esomeprazole" . "esomeprazole" . . "f" . "compound (R)-4d [PMID: 16766089]" . "compound (R)-4d [PMID: 16766089]" . . "f" . "deramciclane" . "deramciclane" . . "f" . "cyclocreatine" . "cyclocreatine" . . "f" . "guanidinoethane sulfonic acid" . "guanidinoethane sulfonic acid" . . "f" . "N-arachidonyl-glycine" . "N-arachidonyl-glycine" . . "f" . "N-arachidonyl-γ-aminobutyric acid" . "N-arachidonyl-γ-aminobutyric acid" . . "f" . "BASS antagonist" . "BASS antagonist" . . "f" . "4-CMTB" . "4-CMTB" . . "t" . "sulpiride" . "sulpiride" . . "f" . "hemicholinium mustard" . "hemicholinium mustard" . . "f" . "BHF-177" . "BHF-177" . . "f" . "(+)-BHFF" . "(+)-BHFF" . . "f" . "TTP" . "TTP" . . "f" . "isoamylamine" . "isoamylamine" . . "f" . "cyclohexylamine" . "cyclohexylamine" . . "f" . "12S-[3H]HETE" . "12S-[3H]HETE" . . "t" . "naphazoline" . "naphazoline" . . "f" . "2-phenyl-propylamine" . "2-phenyl-propylamine" . . "f" . "ASN04450772" . "ASN04450772" . . "f" . "ASN04885796" . "ASN04885796" . . "f" . "trimethylamine" . "trimethylamine" . . "f" . "N-methylpiperidine" . "N-methylpiperidine" . . "f" . "dimethylethylamine" . "dimethylethylamine" . . "f" . "ASN06917370" . "ASN06917370" . . "f" . "O-1602" . "O-1602" . . "f" . "abnormal cannabidiol" . "abnormal cannabidiol" . . "f" . "LL-37" . "LL-37" . . "f" . "compound 2 [PMID: 19230660]" . "compound 2 [PMID: 19230660]" . . "f" . "compound 48/80" . "compound 48/80" . . "f" . "decanoic acid" . "decanoic acid" . . "f" . "undecanoic acid" . "undecanoic acid" . . "f" . "lauric acid" . "lauric acid" . . "f" . "RvD1-ME" . "RvD1-ME" . . "f" . "JWH015" . "JWH015" . . "t" . "chloroquine" . "chloroquine" . . "f" . "FSH α subunit-deglycosylated form" . "FSH α subunit-deglycosylated form" . . "f" . "FSH β subunit-deglycosylated form" . "FSH β subunit-deglycosylated form" . . "f" . "DOTA" . "DOTA" . . "f" . "R-spondin-1" . "R-spondin-1" . . "f" . "R-spondin-2" . "R-spondin-2" . . "f" . "R-spondin-3" . "R-spondin-3" . . "f" . "vanillotoxin-1" . "vanillotoxin-1" . . "f" . "vanillotoxin-2" . "vanillotoxin-2" . . "f" . "vanillotoxin-3" . "vanillotoxin-3" . . "f" . "2-arachidonyl glyceryl ether" . "2-arachidonyl glyceryl ether" . . "f" . "[125I]CCL1 (mouse)" . "[125I]CCL1 (mouse)" . . "f" . "palmitoleic acid" . "palmitoleic acid" . . "f" . "psychosine" . "psychosine" . . "f" . "gallic acid" . "gallic acid" . . "f" . "wedelolactone" . "wedelolactone" . . "f" . "N-oleoyldopamine" . "N-oleoyldopamine" . . "f" . "O-arachidonoyl ethanolamine" . "O-arachidonoyl ethanolamine" . . "f" . "T1117" . "T1117" . . "f" . "GSK575594A" . "GSK575594A" . . "f" . "GSK494581A" . "GSK494581A" . . "f" . "CID1792197" . "CID1792197" . . "f" . "CID1172084" . "CID1172084" . . "f" . "CID2440433" . "CID2440433" . . "f" . "9-hydroxyoctadecadienoic acid" . "9-hydroxyoctadecadienoic acid" . . "f" . "CP55,244" . "CP55,244" . . "f" . "CP55,667" . "CP55,667" . . "f" . "(-)-Ro 363" . "(-)-Ro 363" . . "f" . "[His4, Tyr5, Trp6, His7]TIP39 (human)" . "[His4, Tyr5, Trp6, His7]TIP39 (human)" . . "f" . "[Ala1,12,Aib3,Gln10,hArg11,Trp14,Arg19]PTH-(1-34)-NH2" . "[Ala1,12,Aib3,Gln10,hArg11,Trp14,Arg19]PTH-(1-34)-NH2" . . "f" . "[Ala1,12,Aib3,Gln10,hArg11,Trp14,Arg19]PTH-(1-28)-NH2 (human)" . "[Ala1,12,Aib3,Gln10,hArg11,Trp14,Arg19]PTH-(1-28)-NH2 (human)" . . "f" . "[Ala1,12,Aib3,Gln10,hArg11,Trp14,Arg19]PTH-(1-21)-NH2 (human)" . "[Ala1,12,Aib3,Gln10,hArg11,Trp14,Arg19]PTH-(1-21)-NH2 (human)" . . "f" . "[Ala1,12,Aib3,Gln10,hArg11,Trp14]PTH-(1-14)-NH2" . "[Ala1,12,Aib3,Gln10,hArg11,Trp14]PTH-(1-14)-NH2" . . "f" . "[3H]dehydroepiandrosterone sulphate" . "[3H]dehydroepiandrosterone sulphate" . . "f" . "[125I]angiotensin-(1-7) (human, mouse, rat)" . "[125I]angiotensin-(1-7) (human, mouse, rat)" . . "f" . "AVE 0991" . "AVE 0991" . . "f" . "[D-Lys6]GnRH-II" . "[D-Lys6]GnRH-II" . . "f" . "WAY-207024" . "WAY-207024" . . "f" . "CP608,039" . "CP608,039" . . "f" . "[Ac-D-2Nal1,D4CPA2,D-3Pal3,6,Leu8, D-Ala10]GnRH-II" . "[Ac-D-2Nal1,D4CPA2,D-3Pal3,6,Leu8, D-Ala10]GnRH-II" . . "f" . "IN-3" . "IN-3" . . "t" . "degarelix" . "degarelix" . . "t" . "relugolix" . "relugolix" . . "f" . "NCG21" . "NCG21" . . "f" . "grifolic acid" . "grifolic acid" . . "f" . "grifolic acid methyl ether" . "grifolic acid methyl ether" . . "f" . "TCPA" . "TCPA" . . "f" . "2'-Me-CCPA" . "2'-Me-CCPA" . . "f" . "tecadenoson" . "tecadenoson" . . "f" . "GS9667" . "GS9667" . . "f" . "evodenoson" . "evodenoson" . . "f" . "binodenoson" . "binodenoson" . . "t" . "regadenoson" . "regadenoson" . . "f" . "2-phenylethylyl-adenosine derivative" . "2-phenylethylyl-adenosine derivative" . . "f" . "MRS3558" . "MRS3558" . . "f" . "CPFPX" . "CPFPX" . . "f" . "rolofylline" . "rolofylline" . . "f" . "tonapofylline" . "tonapofylline" . . "f" . "FK-453" . "FK-453" . . "f" . "LUF5981" . "LUF5981" . . "t" . "istradefylline" . "istradefylline" . . "f" . "CSC" . "CSC" . . "f" . "MSX-2" . "MSX-2" . . "f" . "tozadenant" . "tozadenant" . . "f" . "vipadenant" . "vipadenant" . . "f" . "preladenant" . "preladenant" . . "f" . "CVT-6883" . "CVT-6883" . . "f" . "ATL802" . "ATL802" . . "f" . "LAS38096" . "LAS38096" . . "f" . "KF26777" . "KF26777" . . "f" . "PSB-10" . "PSB-10" . . "f" . "PSB-11" . "PSB-11" . . "f" . "P'-geranyl 3,5,9-trihydroxy-3-methylnonanate 9-diphosphate" . "P'-geranyl 3,5,9-trihydroxy-3-methylnonanate 9-diphosphate" . . "f" . "MRS5151" . "MRS5151" . . "f" . "NODAGA-[Tyr3]-octreotide" . "NODAGA-[Tyr3]-octreotide" . . "f" . "[67Ga]NODAGA-[Tyr3]octreotide" . "[67Ga]NODAGA-[Tyr3]octreotide" . . "f" . "[125I][Tyr3,Thr8]octreotide" . "[125I][Tyr3,Thr8]octreotide" . . "f" . "maltotriose-[125I][Tyr3,Thr8]octreotide" . "maltotriose-[125I][Tyr3,Thr8]octreotide" . . "f" . "[Ga-DOTA,Tyr3,Thr8]octreotide" . "[Ga-DOTA,Tyr3,Thr8]octreotide" . . "f" . "SiFA-Asn(AcNH-β-Glc)-Tyr3-octreotate" . "SiFA-Asn(AcNH-β-Glc)-Tyr3-octreotate" . . "f" . "SiFA-Asn(AcNH-β-Glc)-PEG-Tyr3-octreotate" . "SiFA-Asn(AcNH-β-Glc)-PEG-Tyr3-octreotate" . . "f" . "AM3" . "AM3" . . "f" . "demotate 2" . "demotate 2" . . "t" . "edotreotide" . "edotreotide" . . "f" . "Tyr3-octreotide" . "Tyr3-octreotide" . . "f" . "1-palmitoyl-lysophosphatidylcholine" . "1-palmitoyl-lysophosphatidylcholine" . . "f" . "1-stearoyl-lysophosphatidylcholine" . "1-stearoyl-lysophosphatidylcholine" . . "f" . "lysophosphatidylethanolamine" . "lysophosphatidylethanolamine" . . "f" . "AR231453" . "AR231453" . . "f" . "neuronostatin" . "neuronostatin" . . "f" . "A-674563" . "A-674563" . . "f" . "masitinib" . "masitinib" . . "f" . "linifanib" . "linifanib" . . "f" . "PPTN" . "PPTN" . . "f" . "AMG7703" . "AMG7703" . . "f" . "quizartinib" . "quizartinib" . . "t" . "axitinib" . "axitinib" . . "f" . "motesanib" . "motesanib" . . "f" . "AST-487" . "AST-487" . . "f" . "AT-7519" . "AT-7519" . . "f" . "PMX205" . "PMX205" . . "f" . "JPE1375" . "JPE1375" . . "f" . "barasertib-hQPA" . "barasertib-hQPA" . . "f" . "cediranib" . "cediranib" . . "t" . "selumetinib" . "selumetinib" . . "f" . "BI-2536" . "BI-2536" . . "f" . "SB 218795" . "SB 218795" . . "f" . "PD 154740" . "PD 154740" . . "f" . "PD 161182" . "PD 161182" . . "f" . "C5a hexapeptide analogue" . "C5a hexapeptide analogue" . . "f" . "Lu AF21934" . "Lu AF21934" . . "t" . "afatinib" . "afatinib" . . "f" . "doramapimod" . "doramapimod" . . "f" . "BMS-345541" . "BMS-345541" . . "f" . "BMS-387032" . "BMS-387032" . . "f" . "CI-1040" . "CI-1040" . . "f" . "brivanib" . "brivanib" . . "f" . "lestaurtinib" . "lestaurtinib" . . "f" . "CHIR-265" . "CHIR-265" . . "f" . "canertinib" . "canertinib" . . "f" . "SB 414240" . "SB 414240" . . "f" . "CHIPS-(28-149)" . "CHIPS-(28-149)" . . "f" . "ONO-AP-324" . "ONO-AP-324" . . "t" . "tofacitinib" . "tofacitinib" . . "t" . "dasatinib" . "dasatinib" . . "f" . "foretinib" . "foretinib" . . "f" . "alvocidib" . "alvocidib" . . "f" . "ZM 253270" . "ZM 253270" . . "f" . "SB 235375" . "SB 235375" . . "f" . "GSK 172981" . "GSK 172981" . . "f" . "GDC-0879" . "GDC-0879" . . "f" . "pictilisib" . "pictilisib" . . "f" . "GSK-1838705A" . "GSK-1838705A" . . "f" . "GSK-461364A" . "GSK-461364A" . . "f" . "GW-2580" . "GW-2580" . . "f" . "KW-2449" . "KW-2449" . . "t" . "neratinib" . "neratinib" . . "t" . "imatinib" . "imatinib" . . "t" . "ruxolitinib" . "ruxolitinib" . . "f" . "JNJ-28312141" . "JNJ-28312141" . . "f" . "Ki-20227" . "Ki-20227" . . "f" . "RO5166017" . "RO5166017" . . "t" . "lapatinib" . "lapatinib" . . "f" . "enzastaurin" . "enzastaurin" . . "f" . "MLN-120B" . "MLN-120B" . . "f" . "tandutinib" . "tandutinib" . . "f" . "MLN-8054" . "MLN-8054" . . "f" . "[3H]LTE4" . "[3H]LTE4" . . "t" . "nilotinib" . "nilotinib" . . "t" . "pazopanib" . "pazopanib" . . "f" . "PD-173955" . "PD-173955" . . "f" . "PHA-665752" . "PHA-665752" . . "f" . "PI-103" . "PI-103" . . "f" . "GSK 256471" . "GSK 256471" . . "f" . "D-phenylalanine" . "D-phenylalanine" . . "t" . "midostaurin" . "midostaurin" . . "f" . "PLX-4720" . "PLX-4720" . . "f" . "PP-242" . "PP-242" . . "f" . "vatalanib" . "vatalanib" . . "f" . "SU-14813" . "SU-14813" . . "f" . "tamatinib" . "tamatinib" . . "f" . "R547" . "R547" . . "f" . "SGX-523" . "SGX-523" . . "t" . "bosutinib" . "bosutinib" . . "t" . "sorafenib" . "sorafenib" . . "t" . "sunitinib" . "sunitinib" . . "f" . "NVP-TAE684" . "NVP-TAE684" . . "f" . "TG-100-115" . "TG-100-115" . . "t" . "fedratinib" . "fedratinib" . . "f" . "N-Me-aminopyrimidinone 9" . "N-Me-aminopyrimidinone 9" . . "f" . "compound 9n [PMID: 18752940]" . "compound 9n [PMID: 18752940]" . . "f" . "2-hydroxyoctanoic acid" . "2-hydroxyoctanoic acid" . . "f" . "D-tryptophan" . "D-tryptophan" . . "t" . "vandetanib" . "vandetanib" . . "f" . "tozasertib" . "tozasertib" . . "f" . "neflamapimod" . "neflamapimod" . . "f" . "(R)-N-oleoyltyrosinol" . "(R)-N-oleoyltyrosinol" . . "f" . "(S)-N-oleoyltyrosinol" . "(S)-N-oleoyltyrosinol" . . "f" . "AS1535907" . "AS1535907" . . "f" . "AS1907417" . "AS1907417" . . "f" . "compound 3 [PMID: 21310611]" . "compound 3 [PMID: 21310611]" . . "f" . "JNJ-38431055" . "JNJ-38431055" . . "f" . "[3H]PSB603" . "[3H]PSB603" . . "f" . "[3H]PSB-11" . "[3H]PSB-11" . . "f" . "4,9-anhydro-tetrodotoxin" . "4,9-anhydro-tetrodotoxin" . . "f" . "pyrrolopyrimidine 48 [PMID: 22318156]" . "pyrrolopyrimidine 48 [PMID: 22318156]" . . "f" . "XEN907" . "XEN907" . . "f" . "A-803467" . "A-803467" . . "f" . "compound 42 [PMID: 22545772]" . "compound 42 [PMID: 22545772]" . . "f" . "[3H]HEMADO" . "[3H]HEMADO" . . "f" . "compound 3a [PMID: 21444206]" . "compound 3a [PMID: 21444206]" . . "f" . "compound 3j [PMID: 21444206]" . "compound 3j [PMID: 21444206]" . . "f" . "compound 8g [PMID: 21444206]" . "compound 8g [PMID: 21444206]" . . "f" . "compound 23 [PMID: 21444206]" . "compound 23 [PMID: 21444206]" . . "f" . "compound 29a [PMID: 21444206]" . "compound 29a [PMID: 21444206]" . . "t" . "netupitant" . "netupitant" . . "f" . "compound 1 [PMID: 21939274]" . "compound 1 [PMID: 21939274]" . . "f" . "compound 2 [PMID: 21939274]" . "compound 2 [PMID: 21939274]" . . "f" . "compound 1 [PMID: 21273063]" . "compound 1 [PMID: 21273063]" . . "f" . "T2328" . "T2328" . . "f" . "compound 36 [PMID: 21273063]" . "compound 36 [PMID: 21273063]" . . "f" . "compound 58 [PMID: 21273063]" . "compound 58 [PMID: 21273063]" . . "f" . "D-kynurenine" . "D-kynurenine" . . "f" . "compound 6o [PMID: 19524438]" . "compound 6o [PMID: 19524438]" . . "t" . "rolapitant" . "rolapitant" . . "f" . "compound 20f [PMID: 21536438]" . "compound 20f [PMID: 21536438]" . . "f" . "ezlopitant" . "ezlopitant" . . "f" . "vofopitant" . "vofopitant" . . "f" . "R116031" . "R116031" . . "f" . "compound 36j [PMID: 21536438]" . "compound 36j [PMID: 21536438]" . . "f" . "1-oleoyl glycerol" . "1-oleoyl glycerol" . . "f" . "vestipitant" . "vestipitant" . . "f" . "casopitant" . "casopitant" . . "f" . "befetupitant" . "befetupitant" . . "f" . "WWGKKYRASKLGLAR" . "WWGKKYRASKLGLAR" . . "f" . "FLPLAR" . "FLPLAR" . . "f" . "4-(n-propyl)amino-3-nitrobenzoic acid" . "4-(n-propyl)amino-3-nitrobenzoic acid" . . "f" . "FLRT3" . "FLRT3" . . "f" . "pavinetant" . "pavinetant" . . "f" . "FLTChaAR" . "FLTChaAR" . . "f" . "ZM-274773" . "ZM-274773" . . "f" . "C089" . "C089" . . "f" . "A8Δ71-73" . "A8Δ71-73" . . "f" . "U101958" . "U101958" . . "f" . "[Trp7, β-Ala8] neurokinin A-(4-10)" . "[Trp7, β-Ala8] neurokinin A-(4-10)" . . "f" . "3,5-dihydroxybenzoic acid" . "3,5-dihydroxybenzoic acid" . . "f" . "MK 0354" . "MK 0354" . . "f" . "MK 1903" . "MK 1903" . . "f" . "monomethyl fumarate" . "monomethyl fumarate" . . "f" . "para-coumaric acid" . "para-coumaric acid" . . "f" . "MK 6892" . "MK 6892" . . "f" . "compound 21 [PMID: 21185185]" . "compound 21 [PMID: 21185185]" . . "f" . "compound (+)17a [PMID: 20363624]" . "compound (+)17a [PMID: 20363624]" . . "f" . "compound 2g [PMID: 19309152]" . "compound 2g [PMID: 19309152]" . . "f" . "compound 1q [PMID: 18029181]" . "compound 1q [PMID: 18029181]" . . "f" . "compound 8f [PMID: 20615702]" . "compound 8f [PMID: 20615702]" . . "f" . "compound 42 [PMID: 22420767]" . "compound 42 [PMID: 22420767]" . . "f" . "Pfizer compound 11 [PMID:18445527]" . "Pfizer compound 11 [PMID:18445527]" . . "f" . "Pfizer compound 67 [PMID:18445527]" . "Pfizer compound 67 [PMID:18445527]" . . "f" . "GlaxoSmithKline compound 6i [PMID:18926700]" . "GlaxoSmithKline compound 6i [PMID:18926700]" . . "f" . "GlaxoSmithKline compound 5h [PMID:20542694]" . "GlaxoSmithKline compound 5h [PMID:20542694]" . . "f" . "BMS compound 16 [PMID:23368907]" . "BMS compound 16 [PMID:23368907]" . . "f" . "MRS2950" . "MRS2950" . . "f" . "[D-Cys(tBu)5]NPS" . "[D-Cys(tBu)5]NPS" . . "f" . "[D-Val5]NPS" . "[D-Val5]NPS" . . "f" . "[tBu-D-Gly5]NPS" . "[tBu-D-Gly5]NPS" . . "f" . "SHA 68" . "SHA 68" . . "f" . "PI1" . "PI1" . . "f" . "QA1" . "QA1" . . "f" . "taprenepag" . "taprenepag" . . "f" . "PF-04418948" . "PF-04418948" . . "f" . "TG4-155" . "TG4-155" . . "f" . "compound 1 [PMID: 20080612]" . "compound 1 [PMID: 20080612]" . . "t" . "treprostinil" . "treprostinil" . . "f" . "DG-041" . "DG-041" . . "f" . "ONO-AE5-599" . "ONO-AE5-599" . . "f" . "ONO-AE2-227" . "ONO-AE2-227" . . "f" . "BVT173187" . "BVT173187" . . "t" . "sufinpyrazone" . "sufinpyrazone" . . "f" . "group E 1682-2106 [PMID:16118363]" . "group E 1682-2106 [PMID:16118363]" . . "f" . "3570-0208 [PMID:19807662]" . "3570-0208 [PMID:19807662]" . . "f" . "methionine benzimidazole 6" . "methionine benzimidazole 6" . . "f" . "diamide 7" . "diamide 7" . . "f" . "pyrazolone, 1" . "pyrazolone, 1" . . "f" . "AG-11/03" . "AG-11/03" . . "f" . "AG-09/1" . "AG-09/1" . . "f" . "compound R-(-)-5f [PMID: 22607879]" . "compound R-(-)-5f [PMID: 22607879]" . . "f" . "AG-14" . "AG-14" . . "f" . "Met-Met-Trp-Leu-Leu" . "Met-Met-Trp-Leu-Leu" . . "f" . "fMet-Met-Trp-Leu-Leu" . "fMet-Met-Trp-Leu-Leu" . . "f" . "T20(DP178)" . "T20(DP178)" . . "f" . "gG-2p20" . "gG-2p20" . . "f" . "fMet-Leu-Phe-Glu" . "fMet-Leu-Phe-Glu" . . "f" . "fMet-Ile-Val-Thr-Leu-Phe" . "fMet-Ile-Val-Thr-Leu-Phe" . . "f" . "fMet-Ile-Val-Ile-Leu" . "fMet-Ile-Val-Ile-Leu" . . "f" . "fMet-Leu-Phe-Ile-Ile-Lys-FITC" . "fMet-Leu-Phe-Ile-Ile-Lys-FITC" . . "f" . "L-826266" . "L-826266" . . "f" . "BMS compound 4c" . "BMS compound 4c" . . "f" . "6-n-octylaminouracil" . "6-n-octylaminouracil" . . "f" . "2-hydroxy capric acid" . "2-hydroxy capric acid" . . "f" . "3-hydroxy capric acid" . "3-hydroxy capric acid" . . "f" . "2-hydroxylauric acid" . "2-hydroxylauric acid" . . "f" . "3-hydroxylauric acid" . "3-hydroxylauric acid" . . "f" . "BAY-73-1449" . "BAY-73-1449" . . "f" . "MRE-269" . "MRE-269" . . "f" . "EP 157" . "EP 157" . . "f" . "FR181157" . "FR181157" . . "f" . "FK-788" . "FK-788" . . "f" . "MF 498" . "MF 498" . . "f" . "CJ-042794" . "CJ-042794" . . "f" . "grapiprant" . "grapiprant" . . "f" . "TCS 2510" . "TCS 2510" . . "f" . "THG213.29" . "THG213.29" . . "f" . "iralukast" . "iralukast" . . "f" . "15R-TIC" . "15R-TIC" . . "f" . "15-deoxy-TIC" . "15-deoxy-TIC" . . "f" . "SM-130,686" . "SM-130,686" . . "f" . "ibutamoren" . "ibutamoren" . . "f" . "L-692,429" . "L-692,429" . . "f" . "wFw-Isn-NH2" . "wFw-Isn-NH2" . . "f" . "GSK1614343" . "GSK1614343" . . "f" . "Abbott 14c" . "Abbott 14c" . . "f" . "JMV3008" . "JMV3008" . . "f" . "IL-17F" . "IL-17F" . . "f" . "IL-17A/IL-17F" . "IL-17A/IL-17F" . . "f" . "IL-17C" . "IL-17C" . . "f" . "PSB1114" . "PSB1114" . . "f" . "MRS2957" . "MRS2957" . . "f" . "PSB-0739" . "PSB-0739" . . "f" . "IL-25" . "IL-25" . . "f" . "IL-17B" . "IL-17B" . . "f" . "IL-1 receptor antagonist" . "IL-1 receptor antagonist" . . "f" . "IL-36 receptor antagonist" . "IL-36 receptor antagonist" . . "f" . "IL-33" . "IL-33" . . "f" . "compound 4 [PMID: 22984835]" . "compound 4 [PMID: 22984835]" . . "f" . "aminopurvalanol A" . "aminopurvalanol A" . . "f" . "IL-36α" . "IL-36α" . . "f" . "IL-36β" . "IL-36β" . . "f" . "IL-36γ" . "IL-36γ" . . "t" . "lorazepam" . "lorazepam" . . "f" . "lifibrol" . "lifibrol" . . "f" . "L-659,699" . "L-659,699" . . "f" . "compound 20o [PMID: 22984835]" . "compound 20o [PMID: 22984835]" . . "f" . "aurora kinase inhibitor II" . "aurora kinase inhibitor II" . . "t" . "cabozantinib" . "cabozantinib" . . "t" . "everolimus" . "everolimus" . . "t" . "ponatinib" . "ponatinib" . . "t" . "regorafenib" . "regorafenib" . . "f" . "AR-C118925XX" . "AR-C118925XX" . . "t" . "temsirolimus" . "temsirolimus" . . "t" . "vemurafenib" . "vemurafenib" . . "t" . "beclometasone dipropionate" . "beclometasone dipropionate" . . "f" . "QRFP26 (26RFa)" . "QRFP26 (26RFa)" . . "f" . "QRFP26" . "QRFP26" . . "f" . "α-latrotoxin" . "α-latrotoxin" . . "f" . "LTX(N4C)" . "LTX(N4C)" . . "f" . "lasso D" . "lasso D" . . "f" . "Rp-5-OMe-UDPαB" . "Rp-5-OMe-UDPαB" . . "f" . "compound 3a [PMID: 22873688]" . "compound 3a [PMID: 22873688]" . . "f" . "AG 1024" . "AG 1024" . . "f" . "AG 112" . "AG 112" . . "f" . "AG 1295" . "AG 1295" . . "f" . "AG 1296" . "AG 1296" . . "f" . "AG 490" . "AG 490" . . "f" . "AG 9" . "AG 9" . . "f" . "AGL 2043" . "AGL 2043" . . "f" . "KU-55933" . "KU-55933" . . "f" . "ATM/ATR kinase inhibitor" . "ATM/ATR kinase inhibitor" . . "f" . "Akt inhibitor IV" . "Akt inhibitor IV" . . "f" . "triciribine" . "triciribine" . . "f" . "Akt inhibitor VIII" . "Akt inhibitor VIII" . . "f" . "Akt inhibitor X" . "Akt inhibitor X" . . "f" . "aloisine" . "aloisine" . . "f" . "aloisine A" . "aloisine A" . . "f" . "alsterpaullone" . "alsterpaullone" . . "f" . "alsterpaullone 2-cyanoethyl" . "alsterpaullone 2-cyanoethyl" . . "f" . "aurora kinase inhibitor III" . "aurora kinase inhibitor III" . . "f" . "JNJ-7706621" . "JNJ-7706621" . . "f" . "AZD1480" . "AZD1480" . . "f" . "BAY 11-7082" . "BAY 11-7082" . . "f" . "Bcr-abl inhibitor GNF-2" . "Bcr-abl inhibitor GNF-2" . . "t" . "nintedanib" . "nintedanib" . . "f" . "bisindolylmaleimide IV" . "bisindolylmaleimide IV" . . "f" . "bohemine" . "bohemine" . . "f" . "CV-3988" . "CV-3988" . . "f" . "BPIQ-I" . "BPIQ-I" . . "f" . "D4476" . "D4476" . . "f" . "casein kinase II inhibitor III" . "casein kinase II inhibitor III" . . "f" . "Cdc2-like kinase inhibitor" . "Cdc2-like kinase inhibitor" . . "f" . "Cdk/Crk inhibitor" . "Cdk/Crk inhibitor" . . "f" . "Cdk1 inhibitor" . "Cdk1 inhibitor" . . "f" . "CGP74514A" . "CGP74514A" . . "f" . "Cdk1/2 inhibitor III" . "Cdk1/2 inhibitor III" . . "f" . "Cdk1/5 inhibitor" . "Cdk1/5 inhibitor" . . "f" . "Cdk2 inhibitor III" . "Cdk2 inhibitor III" . . "f" . "Cdk2 inhibitor IV" . "Cdk2 inhibitor IV" . . "f" . "Cdk4 inhibitor" . "Cdk4 inhibitor" . . "f" . "Flt-3 inhibitor" . "Flt-3 inhibitor" . . "f" . "Cdk4 inhibitor II" . "Cdk4 inhibitor II" . . "f" . "Cdk4 inhibitor III" . "Cdk4 inhibitor III" . . "f" . "chelerythrine" . "chelerythrine" . . "f" . "Chk2 inhibitor II" . "Chk2 inhibitor II" . . "f" . "compound 52 [PMID: 9677190]" . "compound 52 [PMID: 9677190]" . . "f" . "compound 56 [PMID: 8568816]" . "compound 56 [PMID: 8568816]" . . "f" . "diacylglycerol kinase inhibitor II" . "diacylglycerol kinase inhibitor II" . . "f" . "DMBI" . "DMBI" . . "f" . "Flt-3 inhibitor II" . "Flt-3 inhibitor II" . . "f" . "Flt-3 inhibitor III" . "Flt-3 inhibitor III" . . "f" . "JAK inhibitor I" . "JAK inhibitor I" . . "f" . "NU-7026" . "NU-7026" . . "f" . "DNA-PK inhibitor III" . "DNA-PK inhibitor III" . . "f" . "DNA-PK inhibitor V" . "DNA-PK inhibitor V" . . "f" . "dovitinib" . "dovitinib" . . "f" . "EGFR inhibitor" . "EGFR inhibitor" . . "f" . "EGFR/ErbB-2 inhibitor" . "EGFR/ErbB-2 inhibitor" . . "f" . "EGFR/ErbB-2/ErbB-4 inhibitor" . "EGFR/ErbB-2/ErbB-4 inhibitor" . . "f" . "ERK inhibitor II" . "ERK inhibitor II" . . "f" . "ERK inhibitor II, negative control" . "ERK inhibitor II, negative control" . . "f" . "ERK inhibitor III" . "ERK inhibitor III" . . "f" . "fascaplysin" . "fascaplysin" . . "f" . "JAK3 inhibitor II" . "JAK3 inhibitor II" . . "f" . "Gö 6976" . "Gö 6976" . . "f" . "GSK-3 inhibitor IX" . "GSK-3 inhibitor IX" . . "f" . "GSK-3 inhibitor X" . "GSK-3 inhibitor X" . . "f" . "GSK-3 inhibitor XIII" . "GSK-3 inhibitor XIII" . . "f" . "GSK-3beta inhibitor I" . "GSK-3beta inhibitor I" . . "f" . "GSK-3beta inhibitor II" . "GSK-3beta inhibitor II" . . "f" . "GSK-3beta inhibitor VIII" . "GSK-3beta inhibitor VIII" . . "f" . "isogranulatimide" . "isogranulatimide" . . "f" . "TWS119" . "TWS119" . . "f" . "GSK-3beta inhibitor XI" . "GSK-3beta inhibitor XI" . . "f" . "GTP-14564" . "GTP-14564" . . "f" . "H-89" . "H-89" . . "f" . "herbimycin A" . "herbimycin A" . . "f" . "IC261" . "IC261" . . "f" . "IKK-2 inhibitor IV" . "IKK-2 inhibitor IV" . . "f" . "indirubin derivative E804" . "indirubin derivative E804" . . "f" . "indirubin-3'-monoxime" . "indirubin-3'-monoxime" . . "f" . "IRAK-1/4 inhibitor" . "IRAK-1/4 inhibitor" . . "f" . "JAK3 inhibitor IV" . "JAK3 inhibitor IV" . . "f" . "JAK3 inhibitor VI" . "JAK3 inhibitor VI" . . "f" . "JNK inhibitor IX" . "JNK inhibitor IX" . . "f" . "JNK inhibitor V" . "JNK inhibitor V" . . "f" . "JNK inhibitor VIII" . "JNK inhibitor VIII" . . "f" . "JNK inhibitor, negative control" . "JNK inhibitor, negative control" . . "f" . "kenpaullone" . "kenpaullone" . . "f" . "KN-62" . "KN-62" . . "f" . "KN-93" . "KN-93" . . "f" . "Lck inhibitor" . "Lck inhibitor" . . "f" . "LY 294002" . "LY 294002" . . "f" . "PDGF receptor tyrosine kinase inhibitor II" . "PDGF receptor tyrosine kinase inhibitor II" . . "f" . "Gal-B2-MPEG4" . "Gal-B2-MPEG4" . . "f" . "LY 303511" . "LY 303511" . . "f" . "MEK inhibitor I" . "MEK inhibitor I" . . "f" . "MEK inhibitor II" . "MEK inhibitor II" . . "f" . "MEK1/2 inhibitor" . "MEK1/2 inhibitor" . . "f" . "MK2a inhibitor" . "MK2a inhibitor" . . "f" . "MNK1 inhibitor" . "MNK1 inhibitor" . . "f" . "mubritinib" . "mubritinib" . . "f" . "NF-kB activation inhibitor" . "NF-kB activation inhibitor" . . "f" . "p38 MAP kinase inhibitor" . "p38 MAP kinase inhibitor" . . "f" . "p38 MAP kinase inhibitor III" . "p38 MAP kinase inhibitor III" . . "f" . "PD 158780" . "PD 158780" . . "f" . "PD 169316" . "PD 169316" . . "f" . "PD 174265" . "PD 174265" . . "f" . "[125I][Tyr26]galanin (pig)" . "[125I][Tyr26]galanin (pig)" . . "f" . "PDGF receptor tyrosine kinase inhibitor III" . "PDGF receptor tyrosine kinase inhibitor III" . . "f" . "PDGF receptor tyrosine kinase inhibitor IV" . "PDGF receptor tyrosine kinase inhibitor IV" . . "f" . "PDGF RTK inhibitor" . "PDGF RTK inhibitor" . . "f" . "PDK1/Akt/Flt dual pathway inhibitor" . "PDK1/Akt/Flt dual pathway inhibitor" . . "f" . "PI 3-Kg inhibitor" . "PI 3-Kg inhibitor" . . "f" . "PI 3-Kg inhibitor II" . "PI 3-Kg inhibitor II" . . "f" . "PKCbeta inhibitor" . "PKCbeta inhibitor" . . "f" . "PKR inhibitor" . "PKR inhibitor" . . "f" . "PKR inhibitor, negative control" . "PKR inhibitor, negative control" . . "f" . "PP1 analog II" . "PP1 analog II" . . "f" . "PP3" . "PP3" . . "f" . "purvalanol A" . "purvalanol A" . . "f" . "12-epi LTB4" . "12-epi LTB4" . . "t" . "sirolimus" . "sirolimus" . . "f" . "Rho kinase inhibitor III" . "Rho kinase inhibitor III" . . "f" . "Rho kinase inhibitor IV" . "Rho kinase inhibitor IV" . . "f" . "Ro-32-0432" . "Ro-32-0432" . . "f" . "seliciclib" . "seliciclib" . . "f" . "SB 202474" . "SB 202474" . . "f" . "SB 218078" . "SB 218078" . . "f" . "SB220025" . "SB220025" . . "f" . "SC-68376" . "SC-68376" . . "f" . "terutroban" . "terutroban" . . "f" . "SKF-86002" . "SKF-86002" . . "f" . "SKI II" . "SKI II" . . "f" . "Src kinase inhibitor I" . "Src kinase inhibitor I" . . "f" . "SU11652" . "SU11652" . . "f" . "SU6656" . "SU6656" . . "f" . "SU9516" . "SU9516" . . "f" . "Syk inhibitor" . "Syk inhibitor" . . "f" . "M1160" . "M1160" . . "f" . "J18 (galanin analogue)" . "J18 (galanin analogue)" . . "f" . "J20 (galanin analogue)" . "J20 (galanin analogue)" . . "f" . "Syk inhibitor II" . "Syk inhibitor II" . . "f" . "Syk inhibitor III" . "Syk inhibitor III" . . "f" . "TGF-beta RI inhibitor III" . "TGF-beta RI inhibitor III" . . "f" . "TGF-beta RI kinase inhibitor" . "TGF-beta RI kinase inhibitor" . . "f" . "Tpl2 kinase inhibitor" . "Tpl2 kinase inhibitor" . . "f" . "VEGF receptor 2 kinase inhibitor I" . "VEGF receptor 2 kinase inhibitor I" . . "f" . "VEGF receptor 2 kinase inhibitor II" . "VEGF receptor 2 kinase inhibitor II" . . "f" . "VEGF receptor 2 kinase inhibitor IV" . "VEGF receptor 2 kinase inhibitor IV" . . "f" . "VEGF receptor tyrosine kinase inhibitor II" . "VEGF receptor tyrosine kinase inhibitor II" . . "f" . "VEGF receptor tyrosine kinase inhibitor III" . "VEGF receptor tyrosine kinase inhibitor III" . . "t" . "tivozanib" . "tivozanib" . . "f" . "VX-702" . "VX-702" . . "f" . "wortmannin" . "wortmannin" . . "f" . "zaragozic acid B" . "zaragozic acid B" . . "f" . "PIK-93" . "PIK-93" . . "t" . "clemastine" . "clemastine" . . "f" . "triazine compound PC1" . "triazine compound PC1" . . "f" . "alamandine" . "alamandine" . . "f" . "PKR-A" . "PKR-A" . . "f" . "prosaptide" . "prosaptide" . . "f" . "MF266-1" . "MF266-1" . . "f" . "10,10-difluoro TXA2" . "10,10-difluoro TXA2" . . "f" . "SQ 26655" . "SQ 26655" . . "f" . "AGN 191976" . "AGN 191976" . . "f" . "ICI 192605" . "ICI 192605" . . "f" . "A68930" . "A68930" . . "f" . "CAY10583" . "CAY10583" . . "f" . "PCA 4248" . "PCA 4248" . . "f" . "[D-Ala7]-angiotensin(1-7)" . "[D-Ala7]-angiotensin(1-7)" . . "f" . "[Sar1, D-Ala12]galanin(1-16)" . "[Sar1, D-Ala12]galanin(1-16)" . . "f" . "galanin(7-29) (pig)" . "galanin(7-29) (pig)" . . "f" . "galanin(1-11)" . "galanin(1-11)" . . "f" . "galanin(1-13)amide" . "galanin(1-13)amide" . . "f" . "galanin(1-15)" . "galanin(1-15)" . . "f" . "galanin(1-16) (rat/mouse/pig)" . "galanin(1-16) (rat/mouse/pig)" . . "f" . "galanin(1-19) (human)" . "galanin(1-19) (human)" . . "f" . "galanin(2-30) (human)" . "galanin(2-30) (human)" . . "f" . "galanin(3-29) (pig)" . "galanin(3-29) (pig)" . . "f" . "galanin(3-29) (rat/mouse)" . "galanin(3-29) (rat/mouse)" . . "f" . "galanin(10-29) (rat/mouse)" . "galanin(10-29) (rat/mouse)" . . "f" . "galanin(10-29) (pig)" . "galanin(10-29) (pig)" . . "f" . "galanin(D-Trp2) (pig)" . "galanin(D-Trp2) (pig)" . . "f" . "galparan" . "galparan" . . "f" . "[19Lys,26Leu]-galparan" . "[19Lys,26Leu]-galparan" . . "f" . "[2Ala]-galparan" . "[2Ala]-galparan" . . "f" . "M242" . "M242" . . "f" . "M617" . "M617" . . "f" . "M1145" . "M1145" . . "f" . "M1151" . "M1151" . . "f" . "M1153" . "M1153" . . "f" . "Gal-B2" . "Gal-B2" . . "f" . "Gal-B2-dPEG24" . "Gal-B2-dPEG24" . . "f" . "Gal-B5" . "Gal-B5" . . "f" . "[N-Me,des-Sar]Gal-B2" . "[N-Me,des-Sar]Gal-B2" . . "f" . "Gal-(K)4" . "Gal-(K)4" . . "f" . "Gal-B2-C8" . "Gal-B2-C8" . . "f" . "Gal-B2-C10" . "Gal-B2-C10" . . "f" . "Gal-B2-C12" . "Gal-B2-C12" . . "f" . "galnon" . "galnon" . . "f" . "galmic" . "galmic" . . "f" . "galanin-like peptide" . "galanin-like peptide" . . "f" . "GALP(1-32) (human)" . "GALP(1-32) (human)" . . "f" . "GALP(3-32) (human)" . "GALP(3-32) (human)" . . "f" . "alarin" . "alarin" . . "f" . "dithiipin-1,1,4,4-tetroxide analogue 7" . "dithiipin-1,1,4,4-tetroxide analogue 7" . . "f" . "SNAP 398299" . "SNAP 398299" . . "f" . "SNAP 37889" . "SNAP 37889" . . "f" . "GalR3ant" . "GalR3ant" . . "f" . "Sch 202596" . "Sch 202596" . . "f" . "galanin" . "galanin" . . "f" . "galanin(2-29) (pig)" . "galanin(2-29) (pig)" . . "f" . "GMAP(44-59)" . "GMAP(44-59)" . . "f" . "(D-Thr6, D-Trp8,9)galanin(1-15)ol" . "(D-Thr6, D-Trp8,9)galanin(1-15)ol" . . "f" . "galanin(5-29) (rat/mouse)" . "galanin(5-29) (rat/mouse)" . . "f" . "galanin(9-29) (rat/mouse)" . "galanin(9-29) (rat/mouse)" . . "f" . "galanin(9-25) (rat/mouse)" . "galanin(9-25) (rat/mouse)" . . "f" . "galanin(1-20) (human)" . "galanin(1-20) (human)" . . "f" . "galanin(3-30) (human)" . "galanin(3-30) (human)" . . "f" . "galanin(1-19) (rat/mouse)" . "galanin(1-19) (rat/mouse)" . . "f" . "galanin(1-10)" . "galanin(1-10)" . . "f" . "galanin(1-12)" . "galanin(1-12)" . . "f" . "lymphotoxin β2α1 heterotrimer" . "lymphotoxin β2α1 heterotrimer" . . "f" . "ectodysplasin A2" . "ectodysplasin A2" . . "f" . "ectodysplasin A1" . "ectodysplasin A1" . . "f" . "proinsulin C-peptide" . "proinsulin C-peptide" . . "f" . "[Ala6, D-Trp8]galanin-(1-15)-ol" . "[Ala6, D-Trp8]galanin-(1-15)-ol" . . "f" . "[3H]PSB-0413" . "[3H]PSB-0413" . . "f" . "VU-71" . "VU-71" . . "f" . "compound 4 [PMID: 23083103]" . "compound 4 [PMID: 23083103]" . . "f" . "IL-37" . "IL-37" . . "f" . "CRCF1/CLCF1 heterodimer" . "CRCF1/CLCF1 heterodimer" . . "f" . "IL-27" . "IL-27" . . "f" . "IL-27 subunit α" . "IL-27 subunit α" . . "f" . "IL-27 subunit β" . "IL-27 subunit β" . . "f" . "BIIL 260" . "BIIL 260" . . "f" . "CP-195543" . "CP-195543" . . "f" . "SC-41930" . "SC-41930" . . "f" . "ONO-4057" . "ONO-4057" . . "f" . "RO5101576" . "RO5101576" . . "f" . "12-hydroxyheptadecatrienoic acid" . "12-hydroxyheptadecatrienoic acid" . . "f" . "ZK-158252" . "ZK-158252" . . "f" . "neuromedin B (1-30) (human)" . "neuromedin B (1-30) (human)" . . "f" . "5-oxo-ODE" . "5-oxo-ODE" . . "f" . "Rhodei-litorin" . "Rhodei-litorin" . . "f" . "phyllolitorin" . "phyllolitorin" . . "f" . "5-oxo-15-HETE" . "5-oxo-15-HETE" . . "f" . "[Leu8]-phyllolitorin" . "[Leu8]-phyllolitorin" . . "f" . "5-oxo-20-HETE" . "5-oxo-20-HETE" . . "f" . "MK-5046" . "MK-5046" . . "f" . "5-oxo-12-HETE" . "5-oxo-12-HETE" . . "f" . "D-Nal,Cys,Tyr,D-Trp,Orn,Val,Cys,Nal-NH2 " . "D-Nal,Cys,Tyr,D-Trp,Orn,Val,Cys,Nal-NH2 " . . "f" . "Gue1654" . "Gue1654" . . "f" . "5-(6-chloro-2-hexyl-1H-indol-1-yl)-5-oxo-valeric acid" . "5-(6-chloro-2-hexyl-1H-indol-1-yl)-5-oxo-valeric acid" . . "f" . "gastrin releasing peptide(14-27) (human)" . "gastrin releasing peptide(14-27) (human)" . . "f" . "bantag-1" . "bantag-1" . . "f" . "neuromedin C" . "neuromedin C" . . "f" . "(D-Ala11]bombesin" . "(D-Ala11]bombesin" . . "f" . "[D-Phe6]bombesin(6-13)methyl ester" . "[D-Phe6]bombesin(6-13)methyl ester" . . "f" . "[D-Phe12]bombesin" . "[D-Phe12]bombesin" . . "f" . "[D-Phe6]bombesin(6-13)propylamide" . "[D-Phe6]bombesin(6-13)propylamide" . . "f" . "[D-Tpi6, Leu13 ψ(CH2NH)-Leu14]bombesin-(6-14)" . "[D-Tpi6, Leu13 ψ(CH2NH)-Leu14]bombesin-(6-14)" . . "f" . "[D-Arg1,D-Trp7,9,Leu11]substance P" . "[D-Arg1,D-Trp7,9,Leu11]substance P" . . "f" . "[D-Pro4,D-Trp7,9,10]substance P (4-11)" . "[D-Pro4,D-Trp7,9,10]substance P (4-11)" . . "f" . "compound 29 [PMID: 17064898]" . "compound 29 [PMID: 17064898]" . . "f" . "MM54" . "MM54" . . "f" . "E339-3D6" . "E339-3D6" . . "f" . "bag-1" . "bag-1" . . "f" . "bag-2" . "bag-2" . . "f" . "Ac-Phe-Trp-Ala-His(τBZL)-Nip-Gly-Arg-NH2" . "Ac-Phe-Trp-Ala-His(τBZL)-Nip-Gly-Arg-NH2" . . "f" . "phenylacetyl-Ala,DTrp-phenthylamide" . "phenylacetyl-Ala,DTrp-phenthylamide" . . "f" . "verlukast" . "verlukast" . . "f" . "N-methyl LTC4" . "N-methyl LTC4" . . "f" . "[3H]LTC4" . "[3H]LTC4" . . "f" . "BayCysLT2" . "BayCysLT2" . . "f" . "HAMI3379" . "HAMI3379" . . "f" . "[125I-Tyr]Ac2-26" . "[125I-Tyr]Ac2-26" . . "f" . "MRS2927" . "MRS2927" . . "f" . "N4-phenylethoxycytidine-5'-triphosphate" . "N4-phenylethoxycytidine-5'-triphosphate" . . "f" . "2-amino-uridine-5'-monophosphate" . "2-amino-uridine-5'-monophosphate" . . "f" . "2-thio-UDP" . "2-thio-UDP" . . "f" . "α.β-methylene-2-thio-UDP" . "α.β-methylene-2-thio-UDP" . . "f" . "Ro0711401" . "Ro0711401" . . "f" . "compound 3a [PMID: 16099654]" . "compound 3a [PMID: 16099654]" . . "f" . "compound 4b [PMID: 16099654]" . "compound 4b [PMID: 16099654]" . . "f" . "compound 24 [PMID: 20346665]" . "compound 24 [PMID: 20346665]" . . "f" . "compound 27 [PMID: 20346665]" . "compound 27 [PMID: 20346665]" . . "f" . "A-794282" . "A-794282" . . "f" . "[11C]MMTP" . "[11C]MMTP" . . "f" . "[18F]FITM" . "[18F]FITM" . . "f" . "compound 11q [PMID: 19433355]" . "compound 11q [PMID: 19433355]" . . "f" . "compound 11s [PMID: 19433355]" . "compound 11s [PMID: 19433355]" . . "f" . "AZ12216052" . "AZ12216052" . . "f" . "ADX71743" . "ADX71743" . . "f" . "MDIP" . "MDIP" . . "f" . "MNI-135" . "MNI-135" . . "f" . "MNI-136" . "MNI-136" . . "f" . "MNI-137" . "MNI-137" . . "f" . "compound 2 [PMID: 21105727]" . "compound 2 [PMID: 21105727]" . . "f" . "compound 3 [PMID: 21105727]" . "compound 3 [PMID: 21105727]" . . "f" . "compound 4 [PMID: 21105727]" . "compound 4 [PMID: 21105727]" . . "f" . "VU0463597" . "VU0463597" . . "f" . "Ro4491533" . "Ro4491533" . . "f" . "VU0080241" . "VU0080241" . . "f" . "VU0001171" . "VU0001171" . . "f" . "VU0092145" . "VU0092145" . . "f" . "VU0359516" . "VU0359516" . . "f" . "compound 22a [PMID: 21688779]" . "compound 22a [PMID: 21688779]" . . "f" . "compound 7 [PMID: 20638279]" . "compound 7 [PMID: 20638279]" . . "f" . "VU0400195" . "VU0400195" . . "f" . "VU0364770" . "VU0364770" . . "f" . "compound 11 [PMID: 20638279]" . "compound 11 [PMID: 20638279]" . . "f" . "compound 1 [PMID: 22465637]" . "compound 1 [PMID: 22465637]" . . "f" . "ADX88178" . "ADX88178" . . "f" . "aspirin-triggered resolvin D1" . "aspirin-triggered resolvin D1" . . "f" . "MMK-1" . "MMK-1" . . "f" . "CGEN-855A" . "CGEN-855A" . . "f" . "serum amyloid A" . "serum amyloid A" . . "f" . "PrP106-126" . "PrP106-126" . . "f" . "T21/DP107" . "T21/DP107" . . "f" . "N36" . "N36" . . "f" . "F peptide" . "F peptide" . . "f" . "V3 peptide" . "V3 peptide" . . "f" . "uPar fragment" . "uPar fragment" . . "f" . "MHC binding peptide" . "MHC binding peptide" . . "f" . "sCKβ8-1" . "sCKβ8-1" . . "f" . "GSK1331258" . "GSK1331258" . . "f" . "GSK1331268" . "GSK1331268" . . "f" . "compound 14a [PMID: 18812259]" . "compound 14a [PMID: 18812259]" . . "f" . "compound 14c [PMID: 18812259]" . "compound 14c [PMID: 18812259]" . . "f" . "compound 19 [PMID: 18812259]" . "compound 19 [PMID: 18812259]" . . "f" . "cyPPTS" . "cyPPTS" . . "f" . "4-APPES" . "4-APPES" . . "f" . "THIIC" . "THIIC" . . "f" . "MEL57A" . "MEL57A" . . "f" . "artepillin C" . "artepillin C" . . "f" . "VU0404251" . "VU0404251" . . "f" . "cyclic CMP" . "cyclic CMP" . . "f" . "EC18" . "EC18" . . "f" . "compound 1754-31 [PMID: 23788657]" . "compound 1754-31 [PMID: 23788657]" . . "f" . "FPRL1-inhibitor protein" . "FPRL1-inhibitor protein" . . "f" . "quin-C1" . "quin-C1" . . "f" . "CRAMP" . "CRAMP" . . "f" . "PSMα3" . "PSMα3" . . "f" . "AG-26" . "AG-26" . . "f" . "super cinnamaldehyde" . "super cinnamaldehyde" . . "f" . "2-iodoacetamide" . "2-iodoacetamide" . . "f" . "MTSEA" . "MTSEA" . . "f" . "methyl p-hydroxybenzoate" . "methyl p-hydroxybenzoate" . . "f" . "4-hydroxynonenal" . "4-hydroxynonenal" . . "f" . "SHAAGtide" . "SHAAGtide" . . "f" . "TCS 5861528" . "TCS 5861528" . . "f" . "acetaldehyde" . "acetaldehyde" . . "f" . "NaHS" . "NaHS" . . "f" . "prostaglandin A2" . "prostaglandin A2" . . "f" . "A-967079" . "A-967079" . . "f" . "methylglyoxal" . "methylglyoxal" . . "f" . "salirasib" . "salirasib" . . "f" . "ML221" . "ML221" . . "f" . "4-oxo-nonenal" . "4-oxo-nonenal" . . "f" . "omega-chloroacetophenone" . "omega-chloroacetophenone" . . "t" . "sitagliptin" . "sitagliptin" . . "f" . "isovelleral" . "isovelleral" . . "f" . "crotylaldehyde" . "crotylaldehyde" . . "f" . "NH4Cl" . "NH4Cl" . . "f" . "methyl isocyanate" . "methyl isocyanate" . . "f" . "1,6-hexamethylene diisocyanate" . "1,6-hexamethylene diisocyanate" . . "f" . "chloropicrin" . "chloropicrin" . . "f" . "bromoacetone" . "bromoacetone" . . "f" . "benzyl bromide" . "benzyl bromide" . . "f" . "dibutyl phthalate" . "dibutyl phthalate" . . "f" . "nitrooleic acid" . "nitrooleic acid" . . "f" . "O3" . "O3" . . "f" . "1'-acetoxychavicol acetate" . "1'-acetoxychavicol acetate" . . "f" . "N-acetyl-4-benzoquinoneimine" . "N-acetyl-4-benzoquinoneimine" . . "f" . "citronellal" . "citronellal" . . "f" . "5,6-epoxyeicosatrienoic acid" . "5,6-epoxyeicosatrienoic acid" . . "f" . "hepoxilin A3" . "hepoxilin A3" . . "t" . "auranofin" . "auranofin" . . "f" . "benzoquinone" . "benzoquinone" . . "f" . "oleocanthal" . "oleocanthal" . . "f" . "PF-4840154" . "PF-4840154" . . "t" . "vildagliptin" . "vildagliptin" . . "f" . "cyclo apelin-12 (7-12)" . "cyclo apelin-12 (7-12)" . . "f" . "cyclourea apelin-12 (1-7)" . "cyclourea apelin-12 (1-7)" . . "f" . "cyclo apelin-12 (1-12)" . "cyclo apelin-12 (1-12)" . . "f" . "ML233" . "ML233" . . "t" . "saxagliptin" . "saxagliptin" . . "f" . "JNJ-42153605" . "JNJ-42153605" . . "f" . "JNJ-40068782" . "JNJ-40068782" . . "t" . "linagliptin" . "linagliptin" . . "t" . "alogliptin" . "alogliptin" . . "f" . "compound 48 [PMID: 22364337]" . "compound 48 [PMID: 22364337]" . . "f" . "compound 34 [PMID: 20409708]" . "compound 34 [PMID: 20409708]" . . "t" . "enalapril" . "enalapril" . . "f" . "compound 14 [PMID: 21155570]" . "compound 14 [PMID: 21155570]" . . "f" . "RO4988546" . "RO4988546" . . "f" . "RO5488608" . "RO5488608" . . "t" . "tranilast" . "tranilast" . . "f" . "citral" . "citral" . . "f" . "[3H]2,2,2-TEMPS" . "[3H]2,2,2-TEMPS" . . "f" . "2,2,2-TEMPS" . "2,2,2-TEMPS" . . "f" . "[3H]JNJ-40068782" . "[3H]JNJ-40068782" . . "t" . "enalaprilat" . "enalaprilat" . . "f" . "OAADPR" . "OAADPR" . . "f" . "[18F]MK-1312" . "[18F]MK-1312" . . "f" . "MK-5435" . "MK-5435" . . "f" . "R214127" . "R214127" . . "f" . "VU0469650" . "VU0469650" . . "f" . "compound 23h [PMID: 17929793]" . "compound 23h [PMID: 17929793]" . . "t" . "ramipril" . "ramipril" . . "f" . "CFMMC" . "CFMMC" . . "f" . "CFMTI" . "CFMTI" . . "f" . "compound 2f [PMID: 17532216]" . "compound 2f [PMID: 17532216]" . . "f" . "compound 11c [PMID: 17929793]" . "compound 11c [PMID: 17929793]" . . "t" . "ramiprilat" . "ramiprilat" . . "f" . "compound 23c [PMID: 17929793]" . "compound 23c [PMID: 17929793]" . . "f" . "compound 23e [PMID: 17929793]" . "compound 23e [PMID: 17929793]" . . "f" . "AMG 9810" . "AMG 9810" . . "f" . "compound 23i [PMID: 17929793]" . "compound 23i [PMID: 17929793]" . . "f" . "compound 22 [PMID: 19289283]" . "compound 22 [PMID: 19289283]" . . "t" . "quinapril" . "quinapril" . . "f" . "compound 32 [PMID: 19289283]" . "compound 32 [PMID: 19289283]" . . "t" . "quinaprilat" . "quinaprilat" . . "f" . "FPTQ" . "FPTQ" . . "f" . "A-794278" . "A-794278" . . "f" . "A-850002" . "A-850002" . . "f" . "compound 9a [PMID: 22266036]" . "compound 9a [PMID: 22266036]" . . "f" . "compound 12e [PMID: 22266036]" . "compound 12e [PMID: 22266036]" . . "f" . "compound 22 [PMID: 17276684]" . "compound 22 [PMID: 17276684]" . . "f" . "waixenicin A" . "waixenicin A" . . "f" . "SN-1" . "SN-1" . . "f" . "SN-2" . "SN-2" . . "f" . "VU-29" . "VU-29" . . "f" . "SF-11" . "SF-11" . . "f" . "SF-21" . "SF-21" . . "t" . "lisinopril" . "lisinopril" . . "f" . "YM-202074" . "YM-202074" . . "f" . "compound 9n [PMID: 23084894]" . "compound 9n [PMID: 23084894]" . . "f" . "FTIDC" . "FTIDC" . . "f" . "compound 3 [PMID: 12470711]" . "compound 3 [PMID: 12470711]" . . "f" . "compound 10i [PMID: 23084894]" . "compound 10i [PMID: 23084894]" . . "f" . "compound 24d [PMID: 23357634]" . "compound 24d [PMID: 23357634]" . . "t" . "perindopril" . "perindopril" . . "f" . "WS-5" . "WS-5" . . "f" . "CPS125" . "CPS125" . . "f" . "PBMC" . "PBMC" . . "f" . "compound 20 [PMID: 16439120]" . "compound 20 [PMID: 16439120]" . . "f" . "compound 26 [PMID: 16439120]" . "compound 26 [PMID: 16439120]" . . "t" . "perindoprilat" . "perindoprilat" . . "t" . "benazepril" . "benazepril" . . "t" . "benazeprilat" . "benazeprilat" . . "f" . "M8-B" . "M8-B" . . "t" . "imidapril" . "imidapril" . . "t" . "imidaprilat" . "imidaprilat" . . "t" . "dabigatran etexilate" . "dabigatran etexilate" . . "f" . "compound 47 [PMID: 21295468]" . "compound 47 [PMID: 21295468]" . . "f" . "compound 30 [PMID: 21757343]" . "compound 30 [PMID: 21757343]" . . "f" . "SP203" . "SP203" . . "f" . "dabigatran" . "dabigatran" . . "t" . "ximelagatran" . "ximelagatran" . . "f" . "melagatran" . "melagatran" . . "t" . "argatroban" . "argatroban" . . "f" . "ML SA1" . "ML SA1" . . "f" . "SF-51" . "SF-51" . . "f" . "[3H]CTEP" . "[3H]CTEP" . . "f" . "CTEP" . "CTEP" . . "t" . "rivaroxaban" . "rivaroxaban" . . "f" . "SF-22" . "SF-22" . . "t" . "apixaban" . "apixaban" . . "t" . "bortezomib" . "bortezomib" . . "f" . "[18F]FPIT" . "[18F]FPIT" . . "f" . "VU0463841" . "VU0463841" . . "f" . "LSN2463359" . "LSN2463359" . . "f" . "LSN2814617" . "LSN2814617" . . "f" . "M-5MPEP" . "M-5MPEP" . . "f" . "Br-5MPEPy" . "Br-5MPEPy" . . "f" . "VU0285683" . "VU0285683" . . "f" . "VU0357121" . "VU0357121" . . "f" . "VU0360172" . "VU0360172" . . "f" . "VU0424465" . "VU0424465" . . "f" . "vanillin" . "vanillin" . . "f" . "borneol" . "borneol" . . "f" . "5PAM523" . "5PAM523" . . "f" . "dihydrocarveol" . "dihydrocarveol" . . "f" . "CPPZ" . "CPPZ" . . "f" . "carveol" . "carveol" . . "f" . "tetrahydrocannabivarin" . "tetrahydrocannabivarin" . . "f" . "compound 24 [PMID: 23374867]" . "compound 24 [PMID: 23374867]" . . "f" . "compound 41 [PMID: 23434029]" . "compound 41 [PMID: 23434029]" . . "f" . "VU0092273" . "VU0092273" . . "f" . "VU0240382" . "VU0240382" . . "f" . "VU0361747" . "VU0361747" . . "f" . "VU0364289" . "VU0364289" . . "f" . "[3H]methoxy-PEPy" . "[3H]methoxy-PEPy" . . "f" . "compound 11a [PMID: 14697765]" . "compound 11a [PMID: 14697765]" . . "f" . "compound 16a [PMID: 14697765]" . "compound 16a [PMID: 14697765]" . . "f" . "GRN-529" . "GRN-529" . . "f" . "compound 16m [PMID: 19931453]" . "compound 16m [PMID: 19931453]" . . "f" . "compound 29b [PMID: 20809633]" . "compound 29b [PMID: 20809633]" . . "f" . "triazine compound PC7" . "triazine compound PC7" . . "t" . "camostat" . "camostat" . . "f" . "triazine compound PC10" . "triazine compound PC10" . . "f" . "GSK2210875" . "GSK2210875" . . "f" . "compound 8 [PMID: 20598884]" . "compound 8 [PMID: 20598884]" . . "f" . "compound 27 [PMID: 20598884]" . "compound 27 [PMID: 20598884]" . . "f" . "VU0366058" . "VU0366058" . . "f" . "AZD9272" . "AZD9272" . . "f" . "AZD6538" . "AZD6538" . . "t" . "sivelestat" . "sivelestat" . . "f" . "compound 18 [PMID: 21927650]" . "compound 18 [PMID: 21927650]" . . "f" . "compound 18 [PMID: 17723296]" . "compound 18 [PMID: 17723296]" . . "f" . "compound 23 [PMID: 17590335]" . "compound 23 [PMID: 17590335]" . . "f" . "compound 36 [PMID: 17936624]" . "compound 36 [PMID: 17936624]" . . "f" . "compound 42 [PMID: 17189691]" . "compound 42 [PMID: 17189691]" . . "f" . "compound 13 [PMID: 15686941]" . "compound 13 [PMID: 15686941]" . . "f" . "compound 8 [PMID: 15482908]" . "compound 8 [PMID: 15482908]" . . "f" . "compound 10 [PMID: 15482908]" . "compound 10 [PMID: 15482908]" . . "f" . "compound 10 [PMID: 15482906]" . "compound 10 [PMID: 15482906]" . . "f" . "compound 53 [PMID: 23434029]" . "compound 53 [PMID: 23434029]" . . "f" . "dipraglurant" . "dipraglurant" . . "t" . "trandolapril" . "trandolapril" . . "f" . "fasidotrilat" . "fasidotrilat" . . "t" . "trandolaprilat" . "trandolaprilat" . . "t" . "fosinopril" . "fosinopril" . . "t" . "fosinoprilat" . "fosinoprilat" . . "t" . "desirudin" . "desirudin" . . "t" . "cilazapril" . "cilazapril" . . "f" . "LY2886721" . "LY2886721" . . "t" . "cilazaprilat" . "cilazaprilat" . . "t" . "zofenopril" . "zofenopril" . . "t" . "zofenoprilat" . "zofenoprilat" . . "t" . "doxycycline" . "doxycycline" . . "f" . "GSK2193874" . "GSK2193874" . . "f" . "candoxatrilat" . "candoxatrilat" . . "f" . "(S)-EF-1520" . "(S)-EF-1520" . . "f" . "cipemastat" . "cipemastat" . . "f" . "pralnacasan" . "pralnacasan" . . "f" . "tanomastat" . "tanomastat" . . "t" . "lepirudin" . "lepirudin" . . "t" . "bivalirudin" . "bivalirudin" . . "f" . "NCFP" . "NCFP" . . "f" . "dibenzoxazepine" . "dibenzoxazepine" . . "f" . "morphanthridine" . "morphanthridine" . . "f" . "cis-10 [PMID: 15771457]" . "cis-10 [PMID: 15771457]" . . "f" . "alvelestat" . "alvelestat" . . "t" . "mogamulizumab" . "mogamulizumab" . . "f" . "odanacatib" . "odanacatib" . . "f" . "CXCL17" . "CXCL17" . . "f" . "G36" . "G36" . . "f" . "ORM-10103" . "ORM-10103" . . "f" . "candoxatril" . "candoxatril" . . "f" . "S-OOPP" . "S-OOPP" . . "f" . "NK3201" . "NK3201" . . "f" . "9-cis-retinal" . "9-cis-retinal" . . "f" . "apratastat" . "apratastat" . . "f" . "TUG-770" . "TUG-770" . . "f" . "fasiglifam" . "fasiglifam" . . "f" . "AMG-837" . "AMG-837" . . "f" . "XMT-1191" . "XMT-1191" . . "f" . "CATPB" . "CATPB" . . "f" . "compound 1 [PMID: 23589301]" . "compound 1 [PMID: 23589301]" . . "f" . "avagacestat" . "avagacestat" . . "f" . "TUG-891" . "TUG-891" . . "f" . "(R)-EF-1520" . "(R)-EF-1520" . . "t" . "dabrafenib" . "dabrafenib" . . "t" . "trametinib" . "trametinib" . . "f" . "MRS 2219" . "MRS 2219" . . "f" . "upamostat" . "upamostat" . . "f" . "WX-UK1" . "WX-UK1" . . "f" . "trans-2-methylcrotonic acid" . "trans-2-methylcrotonic acid" . . "f" . "1-methylcyclopropanecarboxylic acid" . "1-methylcyclopropanecarboxylic acid" . . "f" . "fasidotril" . "fasidotril" . . "f" . "[3H]pregnenolone sulphate" . "[3H]pregnenolone sulphate" . . "f" . "prinomastat" . "prinomastat" . . "f" . "daglutril" . "daglutril" . . "f" . "KC-12615" . "KC-12615" . . "f" . "emricasan" . "emricasan" . . "f" . "BMS-561392" . "BMS-561392" . . "t" . "azithromycin" . "azithromycin" . . "f" . "D-aspartic acid" . "D-aspartic acid" . . "f" . "compound 1a [PMID: 15055993]" . "compound 1a [PMID: 15055993]" . . "f" . "isatin sulfonamide 34 [PMID: 11384246]" . "isatin sulfonamide 34 [PMID: 11384246]" . . "f" . "INSL5" . "INSL5" . . "f" . "INSL5 (A chain)" . "INSL5 (A chain)" . . "f" . "INSL5 (B chain)" . "INSL5 (B chain)" . . "f" . "europium-labelled mouse INSL5" . "europium-labelled mouse INSL5" . . "f" . "JI-38" . "JI-38" . . "f" . "GLP-1-(9-36)" . "GLP-1-(9-36)" . . "f" . "Nωpropyl-L-arginine" . "Nωpropyl-L-arginine" . . "f" . "compound 1 [PMID: 17935984]" . "compound 1 [PMID: 17935984]" . . "f" . "Ac-DEVD-CHO" . "Ac-DEVD-CHO" . . "f" . "UK-356618" . "UK-356618" . . "f" . "264W94" . "264W94" . . "f" . "SC-435" . "SC-435" . . "f" . "FTI 276" . "FTI 276" . . "f" . "CAA0225" . "CAA0225" . . "f" . "S 17092" . "S 17092" . . "f" . "KGP94" . "KGP94" . . "f" . "Z-Arg-Leu-Val-Agly-Ile-Val-OMe" . "Z-Arg-Leu-Val-Agly-Ile-Val-OMe" . . "f" . "compound (R)-26 [PMID: 22686657]" . "compound (R)-26 [PMID: 22686657]" . . "f" . "compound 18 [PMID: 15664838]" . "compound 18 [PMID: 15664838]" . . "f" . "bis-triazole derivative 10" . "bis-triazole derivative 10" . . "f" . "UAMC00039" . "UAMC00039" . . "f" . "ST074946" . "ST074946" . . "f" . "example 98 [WO2011020806]" . "example 98 [WO2011020806]" . . "f" . "compound 1 [PMID: 10498202]" . "compound 1 [PMID: 10498202]" . . "f" . "compound 1 [PMID: 11425539]" . "compound 1 [PMID: 11425539]" . . "f" . "UK-356202" . "UK-356202" . . "f" . "ONO-4817" . "ONO-4817" . . "f" . "compound 4 [PMID: 18163548]" . "compound 4 [PMID: 18163548]" . . "f" . "PG-106" . "PG-106" . . "f" . "C4a" . "C4a" . . "f" . "DG-051" . "DG-051" . . "f" . "alpha-ketothiazole analogue 36" . "alpha-ketothiazole analogue 36" . . "f" . "compound 57 [PMID: 20121197]" . "compound 57 [PMID: 20121197]" . . "f" . "(S)-2,3-epoxysqualene" . "(S)-2,3-epoxysqualene" . . "f" . "compound 1 [PMID: 16650987]" . "compound 1 [PMID: 16650987]" . . "f" . "methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate" . "methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate" . . "f" . "NS 2028" . "NS 2028" . . "f" . "compound 28 [PMID: 18324760]" . "compound 28 [PMID: 18324760]" . . "f" . "HJC 0350" . "HJC 0350" . . "f" . "RS-25344" . "RS-25344" . . "f" . "gisadenafil" . "gisadenafil" . . "f" . "BC11-38" . "BC11-38" . . "f" . "5-Cl-5-deoxy-(±)-ENBA" . "5-Cl-5-deoxy-(±)-ENBA" . . "f" . "PSB-0788" . "PSB-0788" . . "f" . "compound 22 [PMID: 19899765]" . "compound 22 [PMID: 19899765]" . . "f" . "JNJ-10311795" . "JNJ-10311795" . . "f" . "phenylacetyl-Arg-Val-Arg-4-amidinobenzylamide" . "phenylacetyl-Arg-Val-Arg-4-amidinobenzylamide" . . "f" . "NGB 2904" . "NGB 2904" . . "f" . "compound 2 [PMID: 8410973]" . "compound 2 [PMID: 8410973]" . . "f" . "[125I]αCGRP (mouse, rat)" . "[125I]αCGRP (mouse, rat)" . . "f" . "compound 20 [PMID: 22153340]" . "compound 20 [PMID: 22153340]" . . "f" . "sulforaphane" . "sulforaphane" . . "t" . "aprotinin" . "aprotinin" . . "t" . "moexipril" . "moexipril" . . "t" . "moexiprilat" . "moexiprilat" . . "t" . "tranexamic acid" . "tranexamic acid" . . "f" . "PG01037" . "PG01037" . . "t" . "6-aminocaproic acid" . "6-aminocaproic acid" . . "t" . "spirapril" . "spirapril" . . "t" . "spiraprilat" . "spiraprilat" . . "f" . "CID16020046" . "CID16020046" . . "f" . "riboflavin" . "riboflavin" . . "f" . "H2L5186303" . "H2L5186303" . . "f" . "GRI977143" . "GRI977143" . . "f" . "obtustatin" . "obtustatin" . . "f" . "TCI15" . "TCI15" . . "f" . "sphinganine 1-phosphate" . "sphinganine 1-phosphate" . . "t" . "abciximab" . "abciximab" . . "t" . "eptifibatide" . "eptifibatide" . . "t" . "tirofiban" . "tirofiban" . . "f" . "GR 144053" . "GR 144053" . . "f" . "G4120" . "G4120" . . "f" . "BIO1211" . "BIO1211" . . "f" . "TCS2314" . "TCS2314" . . "f" . "galectin-3 binding protein" . "galectin-3 binding protein" . . "t" . "natalizumab" . "natalizumab" . . "f" . "A286982" . "A286982" . . "t" . "efalizumab" . "efalizumab" . . "f" . "echistatin" . "echistatin" . . "f" . "P11" . "P11" . . "f" . "chondroitin sulphate proteoglycan 3" . "chondroitin sulphate proteoglycan 3" . . "f" . "contactin-1" . "contactin-1" . . "f" . "pleiotrophin" . "pleiotrophin" . . "f" . "etaracizumab" . "etaracizumab" . . "f" . "cilengitide" . "cilengitide" . . "t" . "physostigmine" . "physostigmine" . . "t" . "donepezil" . "donepezil" . . "f" . "BW284C51" . "BW284C51" . . "f" . "SK1-I" . "SK1-I" . . "t" . "bambuterol" . "bambuterol" . . "t" . "rivastigmine" . "rivastigmine" . . "f" . "galectin-1" . "galectin-1" . . "f" . "4-trimethylammoniobutanal" . "4-trimethylammoniobutanal" . . "f" . "4-trimethylammoniobutanoate" . "4-trimethylammoniobutanoate" . . "f" . "4-aminobutanal" . "4-aminobutanal" . . "f" . "netrin-G3 ligand" . "netrin-G3 ligand" . . "f" . "4-oxobutanoate" . "4-oxobutanoate" . . "f" . "contactin-3" . "contactin-3" . . "f" . "(S)-3-amino-2-methylpropanoate" . "(S)-3-amino-2-methylpropanoate" . . "f" . "2-methyl-3-oxopropanoate" . "2-methyl-3-oxopropanoate" . . "f" . "contactin-4" . "contactin-4" . . "f" . "contactin-5" . "contactin-5" . . "f" . "contactin-6" . "contactin-6" . . "f" . "galectin-3" . "galectin-3" . . "f" . "PF-543" . "PF-543" . . "f" . "opaganib" . "opaganib" . . "f" . "ROMe" . "ROMe" . . "f" . "THI" . "THI" . . "f" . "hexadecanal" . "hexadecanal" . . "f" . "phosphoethanolamine" . "phosphoethanolamine" . . "f" . "4-hydroxyphenylpyruvic acid" . "4-hydroxyphenylpyruvic acid" . . "f" . "nepicastat" . "nepicastat" . . "f" . "LY134046" . "LY134046" . . "f" . "3,4-dihydroxyphenylacetaldehyde" . "3,4-dihydroxyphenylacetaldehyde" . . "f" . "3,4-dihydroxymandelic acid" . "3,4-dihydroxymandelic acid" . . "f" . "5-hydroxyindole acetaldehyde" . "5-hydroxyindole acetaldehyde" . . "f" . "4-hydroxyphenyl acetaldehyde" . "4-hydroxyphenyl acetaldehyde" . . "f" . "clorgiline" . "clorgiline" . . "f" . "befloxatone" . "befloxatone" . . "t" . "pirlindole" . "pirlindole" . . "t" . "selegiline" . "selegiline" . . "f" . "lazabemide" . "lazabemide" . . "t" . "rasagiline" . "rasagiline" . . "f" . "3-methoxytyramine" . "3-methoxytyramine" . . "f" . "normetanephrine" . "normetanephrine" . . "f" . "metanephrine" . "metanephrine" . . "f" . "vanillylmandelic acid" . "vanillylmandelic acid" . . "t" . "tolcapone" . "tolcapone" . . "f" . "11-cis-retinol" . "11-cis-retinol" . . "f" . "13-cis-retinal" . "13-cis-retinal" . . "t" . "entacapone" . "entacapone" . . "f" . "T2" . "T2" . . "t" . "methimazole" . "methimazole" . . "t" . "propylthiouracil" . "propylthiouracil" . . "f" . "3,5-diiodo-L-tyrosine" . "3,5-diiodo-L-tyrosine" . . "f" . "CZC 24832" . "CZC 24832" . . "f" . "3-ketosphinganine" . "3-ketosphinganine" . . "f" . "matrix metalloproteinase 1" . "matrix metalloproteinase 1" . . "f" . "matrix metalloproteinase 13" . "matrix metalloproteinase 13" . . "f" . "GB110" . "GB110" . . "f" . "13-cis-retinol" . "13-cis-retinol" . . "f" . "(RS)-PPCC" . "(RS)-PPCC" . . "f" . "GB88" . "GB88" . . "f" . "P2pal18s" . "P2pal18s" . . "f" . "[3H]2-furoyl-LIGRL-NH2" . "[3H]2-furoyl-LIGRL-NH2" . . "t" . "ketorolac" . "ketorolac" . . "f" . "HQL-79" . "HQL-79" . . "f" . "ρ-Da1a" . "ρ-Da1a" . . "f" . "myriocin" . "myriocin" . . "f" . "JNJ-26070109" . "JNJ-26070109" . . "f" . "[125I]DTyr-Gly-[(Nle28,31)CCK-26-33" . "[125I]DTyr-Gly-[(Nle28,31)CCK-26-33" . . "f" . "[125I]-BDZ2" . "[125I]-BDZ2" . . "f" . "NVP 231" . "NVP 231" . . "f" . "11-cis-retinal" . "11-cis-retinal" . . "f" . "PRE-084" . "PRE-084" . . "f" . "NE-100" . "NE-100" . . "f" . "BD-1047" . "BD-1047" . . "f" . "PB-28" . "PB-28" . . "f" . "SM 21" . "SM 21" . . "f" . "[3H]pentazocine" . "[3H]pentazocine" . . "f" . "1,3-ditolylguanidine" . "1,3-ditolylguanidine" . . "f" . "[3H]-di-o-tolylguanidine" . "[3H]-di-o-tolylguanidine" . . "f" . "Müllerian inhibiting substance" . "Müllerian inhibiting substance" . . "t" . "tacrine" . "tacrine" . . "f" . "[3H]pemetrexed" . "[3H]pemetrexed" . . "f" . "[3H]N5-methylfolate" . "[3H]N5-methylfolate" . . "f" . "[3H]folinic acid" . "[3H]folinic acid" . . "f" . "CP-775146" . "CP-775146" . . "t" . "galantamine" . "galantamine" . . "f" . "glutathione" . "glutathione" . . "f" . "PF-04457845" . "PF-04457845" . . "f" . "BI6015" . "BI6015" . . "f" . "darapladib" . "darapladib" . . "f" . "GSK-264220A" . "GSK-264220A" . . "f" . "PF0998425" . "PF0998425" . . "t" . "fluticasone" . "fluticasone" . . "f" . "prinaberel" . "prinaberel" . . "f" . "GR148672X" . "GR148672X" . . "f" . "compound 41 [PMID: 15026062]" . "compound 41 [PMID: 15026062]" . . "f" . "KH064" . "KH064" . . "f" . "BigLEN" . "BigLEN" . . "f" . "o-hydroxyatorvastatin" . "o-hydroxyatorvastatin" . . "f" . "LSP4-2022" . "LSP4-2022" . . "f" . "compound 4a [Marquart et al., 1994]" . "compound 4a [Marquart et al., 1994]" . . "f" . "compound 4b [Marquart et al., 1994]" . "compound 4b [Marquart et al., 1994]" . . "f" . "compound 1 [PMID: 22533316]" . "compound 1 [PMID: 22533316]" . . "f" . "Ro 48-8071" . "Ro 48-8071" . . "f" . "compound 3 [PMID: 22533316]" . "compound 3 [PMID: 22533316]" . . "f" . "compound 4 [PMID: 22533316]" . "compound 4 [PMID: 22533316]" . . "f" . "compound 7 [PMID: 22533316]" . "compound 7 [PMID: 22533316]" . . "f" . "compound 6 [PMID: 22533316]" . "compound 6 [PMID: 22533316]" . . "f" . "compound 5 [PMID: 22533316]" . "compound 5 [PMID: 22533316]" . . "f" . "compound 8 [PMID: 22533316]" . "compound 8 [PMID: 22533316]" . . "f" . "compound 10 [PMID: 22533316]" . "compound 10 [PMID: 22533316]" . . "f" . "compound 9 [PMID: 22533316]" . "compound 9 [PMID: 22533316]" . . "f" . "29-methylidene-2,3-oxidosqualene" . "29-methylidene-2,3-oxidosqualene" . . "f" . "compound 3 [PMID: 9003518]" . "compound 3 [PMID: 9003518]" . . "f" . "compound 4 [PMID: 9003518]" . "compound 4 [PMID: 9003518]" . . "f" . "compound 1 [Gotteland et al., 1997]" . "compound 1 [Gotteland et al., 1997]" . . "f" . "SM-32504" . "SM-32504" . . "f" . "compound 15a [PMID: 16242323]" . "compound 15a [PMID: 16242323]" . . "f" . "compound 15b [PMID: 16242323]" . "compound 15b [PMID: 16242323]" . . "f" . "compound 16 [PMID: 16242323]" . "compound 16 [PMID: 16242323]" . . "f" . "compound 18a [PMID: 16242323]" . "compound 18a [PMID: 16242323]" . . "f" . "compound 18b [PMID: 16242323]" . "compound 18b [PMID: 16242323]" . . "f" . "SMP-797" . "SMP-797" . . "f" . "compound 22c [PMID: 16242323]" . "compound 22c [PMID: 16242323]" . . "f" . "compound 22d [PMID: 16242323]" . "compound 22d [PMID: 16242323]" . . "f" . "compound 26a [PMID: 16242323]" . "compound 26a [PMID: 16242323]" . . "f" . "compound 26b [PMID: 16242323]" . "compound 26b [PMID: 16242323]" . . "f" . "compound 26c [PMID: 16242323]" . "compound 26c [PMID: 16242323]" . . "f" . "BMS309403" . "BMS309403" . . "f" . "HTS01037" . "HTS01037" . . "f" . "LSP1-2111" . "LSP1-2111" . . "f" . "GSK2606414" . "GSK2606414" . . "t" . "idelalisib" . "idelalisib" . . "f" . "MRL20" . "MRL20" . . "f" . "MRL24" . "MRL24" . . "t" . "alirocumab" . "alirocumab" . . "f" . "abiraterone" . "abiraterone" . . "f" . "vitronectin" . "vitronectin" . . "f" . "vitronectin V65 subunit" . "vitronectin V65 subunit" . . "f" . "fibrinogen" . "fibrinogen" . . "f" . "fibrinogen alpha chain" . "fibrinogen alpha chain" . . "f" . "fibrinogen beta chain" . "fibrinogen beta chain" . . "f" . "fibrinogen gamma chain" . "fibrinogen gamma chain" . . "f" . "osteopontin" . "osteopontin" . . "f" . "fibronectin" . "fibronectin" . . "t" . "von Willebrand factor" . "von Willebrand factor" . . "f" . "ICAM-2" . "ICAM-2" . . "f" . "ICAM-1" . "ICAM-1" . . "f" . "vascular cell adhesion protein 1" . "vascular cell adhesion protein 1" . . "f" . "LDV-FITC" . "LDV-FITC" . . "f" . "CCG-1423" . "CCG-1423" . . "f" . "Org27569" . "Org27569" . . "f" . "CCG-977" . "CCG-977" . . "f" . "CCG-203971" . "CCG-203971" . . "f" . "CCG-100602" . "CCG-100602" . . "f" . "palmitoyl-CoA" . "palmitoyl-CoA" . . "t" . "alemtuzumab" . "alemtuzumab" . . "t" . "bevacizumab" . "bevacizumab" . . "t" . "brentuximab vedotin" . "brentuximab vedotin" . . "t" . "canakinumab" . "canakinumab" . . "t" . "certolizumab pegol" . "certolizumab pegol" . . "t" . "gemtuzumab ozogamicin" . "gemtuzumab ozogamicin" . . "t" . "golimumab" . "golimumab" . . "f" . "example 2 [WO2013004676]" . "example 2 [WO2013004676]" . . "t" . "ibritumomab tiuxetan" . "ibritumomab tiuxetan" . . "t" . "ofatumumab" . "ofatumumab" . . "t" . "ranibizumab" . "ranibizumab" . . "t" . "rituximab" . "rituximab" . . "t" . "monobenzone" . "monobenzone" . . "t" . "tositumomab" . "tositumomab" . . "t" . "digitoxin" . "digitoxin" . . "t" . "pimecrolimus" . "pimecrolimus" . . "t" . "tacrolimus" . "tacrolimus" . . "t" . "vincristine" . "vincristine" . . "f" . "[125I][Sar1]Ang-II" . "[125I][Sar1]Ang-II" . . "f" . "tasosartan" . "tasosartan" . . "f" . "saprisartan" . "saprisartan" . . "t" . "aflibercept" . "aflibercept" . . "t" . "alefacept" . "alefacept" . . "t" . "drotrecogin alfa" . "drotrecogin alfa" . . "t" . "etanercept" . "etanercept" . . "f" . "18-HETE" . "18-HETE" . . "f" . "SN-38" . "SN-38" . . "f" . "oxidised ATP" . "oxidised ATP" . . "t" . "rilonacept" . "rilonacept" . . "t" . "acarbose" . "acarbose" . . "t" . "acetazolamide" . "acetazolamide" . . "t" . "acetohexamide" . "acetohexamide" . . "t" . "acetyldigitoxin" . "acetyldigitoxin" . . "t" . "allopurinol" . "allopurinol" . . "t" . "azacitidine" . "azacitidine" . . "t" . "brinzolamide" . "brinzolamide" . . "t" . "cabazitaxel" . "cabazitaxel" . . "t" . "capecitabine" . "capecitabine" . . "t" . "carmustine" . "carmustine" . . "f" . "example 20 [WO2010128058]" . "example 20 [WO2010128058]" . . "t" . "chlorpropamide" . "chlorpropamide" . . "t" . "clofarabine" . "clofarabine" . . "t" . "dalteparin" . "dalteparin" . . "t" . "danaparoid" . "danaparoid" . . "t" . "decitabine" . "decitabine" . . "t" . "deslanoside" . "deslanoside" . . "t" . "diclofenamide" . "diclofenamide" . . "t" . "dicumarol" . "dicumarol" . . "t" . "docetaxel" . "docetaxel" . . "t" . "dorzolamide" . "dorzolamide" . . "t" . "danazol" . "danazol" . . "t" . "enoxaparin" . "enoxaparin" . . "t" . "enzalutamide" . "enzalutamide" . . "t" . "eribulin" . "eribulin" . . "t" . "ethoxzolamide" . "ethoxzolamide" . . "t" . "flutamide" . "flutamide" . . "f" . "JJKK 048" . "JJKK 048" . . "t" . "etoposide" . "etoposide" . . "t" . "ezetimibe" . "ezetimibe" . . "t" . "febuxostat" . "febuxostat" . . "t" . "finasteride" . "finasteride" . . "t" . "fondaparinux" . "fondaparinux" . . "f" . "AM095" . "AM095" . . "f" . "compound 12 [PMID: 19800804]" . "compound 12 [PMID: 19800804]" . . "f" . "dodecyl-thiophosphate" . "dodecyl-thiophosphate" . . "t" . "glimepiride" . "glimepiride" . . "t" . "glipizide" . "glipizide" . . "t" . "hydroxyurea" . "hydroxyurea" . . "t" . "irinotecan" . "irinotecan" . . "t" . "ixabepilone" . "ixabepilone" . . "f" . "[1-bromo-(3S)-hydrox-4-(palmitoyloxy)butyl]phosphate" . "[1-bromo-(3S)-hydrox-4-(palmitoyloxy)butyl]phosphate" . . "t" . "leflunomide" . "leflunomide" . . "t" . "levetiracetam" . "levetiracetam" . . "t" . "mequinol" . "mequinol" . . "t" . "methazolamide" . "methazolamide" . . "t" . "methocarbamol" . "methocarbamol" . . "f" . "VPC03090-P" . "VPC03090-P" . . "f" . "compound 15 [PMID: 18178086]" . "compound 15 [PMID: 18178086]" . . "f" . "alkyl glycerol phosphate 18:1" . "alkyl glycerol phosphate 18:1" . . "t" . "mycophenolate mofetil" . "mycophenolate mofetil" . . "t" . "mycophenolic acid" . "mycophenolic acid" . . "t" . "nateglinide" . "nateglinide" . . "t" . "nitisinone" . "nitisinone" . . "f" . "octyl thiophosphatidic acid" . "octyl thiophosphatidic acid" . . "f" . "(S)-FTY720-phosphate" . "(S)-FTY720-phosphate" . . "f" . "NIBR-0213" . "NIBR-0213" . . "f" . "GI‐530159" . "GI‐530159" . . "t" . "oxiglutatione" . "oxiglutatione" . . "t" . "pegaptanib" . "pegaptanib" . . "t" . "pemetrexed" . "pemetrexed" . . "t" . "phenindione" . "phenindione" . . "t" . "phenprocoumon" . "phenprocoumon" . . "t" . "pralatrexate" . "pralatrexate" . . "t" . "repaglinide" . "repaglinide" . . "t" . "ribavirin" . "ribavirin" . . "t" . "teniposide" . "teniposide" . . "f" . "AR234960" . "AR234960" . . "f" . "CGEN-857" . "CGEN-857" . . "f" . "CGEN-856" . "CGEN-856" . . "t" . "teriflunomide" . "teriflunomide" . . "t" . "thioguanine" . "thioguanine" . . "t" . "tinzaparin" . "tinzaparin" . . "t" . "tolazamide" . "tolazamide" . . "t" . "tolbutamide" . "tolbutamide" . . "t" . "topiramate" . "topiramate" . . "t" . "trilostane" . "trilostane" . . "t" . "vinblastine" . "vinblastine" . . "t" . "vorinostat" . "vorinostat" . . "t" . "warfarin" . "warfarin" . . "f" . "AR244555" . "AR244555" . . "t" . "capromab" . "capromab" . . "t" . "basiliximab" . "basiliximab" . . "t" . "daclizumab" . "daclizumab" . . "t" . "tocilizumab" . "tocilizumab" . . "f" . "AR305352" . "AR305352" . . "f" . "Il-94" . "Il-94" . . "t" . "cetuximab" . "cetuximab" . . "t" . "panitumumab" . "panitumumab" . . "t" . "eculizumab" . "eculizumab" . . "t" . "ustekinumab" . "ustekinumab" . . "t" . "methdilazine" . "methdilazine" . . "t" . "denosumab" . "denosumab" . . "t" . "belimumab" . "belimumab" . . "t" . "ipilimumab" . "ipilimumab" . . "t" . "muromonab-CD3" . "muromonab-CD3" . . "f" . "LP-44" . "LP-44" . . "t" . "omalizumab" . "omalizumab" . . "t" . "abatacept" . "abatacept" . . "t" . "belatacept" . "belatacept" . . "f" . "novokinin" . "novokinin" . . "f" . "angiotensin A" . "angiotensin A" . . "f" . "L-163,101" . "L-163,101" . . "t" . "forasartan" . "forasartan" . . "t" . "azilsartan medoxomil" . "azilsartan medoxomil" . . "f" . "azilsartan" . "azilsartan" . . "f" . "TRV027" . "TRV027" . . "f" . "[Sar1,Cha4]Ang-II" . "[Sar1,Cha4]Ang-II" . . "f" . "[Sar1,Cha8]Ang-II" . "[Sar1,Cha8]Ang-II" . . "f" . "[Sar1,Ile8]Ang-II" . "[Sar1,Ile8]Ang-II" . . "f" . "[125I][Sar1,Ile8]Ang-II" . "[125I][Sar1,Ile8]Ang-II" . . "f" . "[3H]candesartan" . "[3H]candesartan" . . "f" . "[3H]irbesartan" . "[3H]irbesartan" . . "f" . "LY301875" . "LY301875" . . "f" . "LY303336" . "LY303336" . . "f" . "N,N`-bis-alkyl butylimmidazole 12b" . "N,N`-bis-alkyl butylimmidazole 12b" . . "t" . "ibrutinib" . "ibrutinib" . . "f" . "5-oxo-1-2-4-oxadiazol biphenyl" . "5-oxo-1-2-4-oxadiazol biphenyl" . . "f" . "[Sar1,Ile4,Ile8]Ang-II" . "[Sar1,Ile4,Ile8]Ang-II" . . "f" . "[Sar1,Ala8]Ang-II" . "[Sar1,Ala8]Ang-II" . . "f" . "[Sar1,Gly4,Gly8]Ang-II" . "[Sar1,Gly4,Gly8]Ang-II" . . "f" . "5-butyl-methyl immidazole carboxylate 30" . "5-butyl-methyl immidazole carboxylate 30" . . "f" . "compound 21 [PMID: 22802221]" . "compound 21 [PMID: 22802221]" . . "f" . "prunetin" . "prunetin" . . "f" . "benzolamide" . "benzolamide" . . "t" . "calcifediol" . "calcifediol" . . "f" . "12-hydroxylauric acid" . "12-hydroxylauric acid" . . "f" . "16-HETE" . "16-HETE" . . "f" . "encenicline" . "encenicline" . . "f" . "ABT-288" . "ABT-288" . . "t" . "trastuzumab emtansine" . "trastuzumab emtansine" . . "f" . "tideglusib" . "tideglusib" . . "f" . "compound 10 [PMID: 23147077]" . "compound 10 [PMID: 23147077]" . . "f" . "bapineuzumab" . "bapineuzumab" . . "f" . "AZD3839" . "AZD3839" . . "f" . "solanezumab" . "solanezumab" . . "f" . "gantenerumab" . "gantenerumab" . . "f" . "crenezumab" . "crenezumab" . . "f" . "LP-211" . "LP-211" . . "f" . "LY2811376" . "LY2811376" . . "f" . "iperoxo" . "iperoxo" . . "f" . "LY2119620" . "LY2119620" . . "f" . "AZ-4217" . "AZ-4217" . . "f" . "TAK-070" . "TAK-070" . . "t" . "obinutuzumab" . "obinutuzumab" . . "f" . "NCATS-SM3710" . "NCATS-SM3710" . . "f" . "oxazine 89" . "oxazine 89" . . "f" . "methyltestosterone" . "methyltestosterone" . . "f" . "compound 11d [PMID: 23981898]" . "compound 11d [PMID: 23981898]" . . "t" . "dromostanolone propionate" . "dromostanolone propionate" . . "t" . "ethylestrenol" . "ethylestrenol" . . "f" . "compound 26 [PMID: 24673130]" . "compound 26 [PMID: 24673130]" . . "t" . "nandrolone" . "nandrolone" . . "f" . "compound 2 [PMID: 22911925]" . "compound 2 [PMID: 22911925]" . . "t" . "dextrothyroxine" . "dextrothyroxine" . . "t" . "tazarotene" . "tazarotene" . . "f" . "compound J [PMID: 21907142]" . "compound J [PMID: 21907142]" . . "t" . "dextromethorphan" . "dextromethorphan" . . "t" . "palifermin" . "palifermin" . . "t" . "ecallantide" . "ecallantide" . . "t" . "alpha-methyltyrosine" . "alpha-methyltyrosine" . . "f" . "example 41 [WO2012028563]" . "example 41 [WO2012028563]" . . "t" . "mitotane" . "mitotane" . . "t" . "tesamorelin" . "tesamorelin" . . "t" . "anisindione" . "anisindione" . . "t" . "eltrombopag" . "eltrombopag" . . "t" . "denileukin diftitox" . "denileukin diftitox" . . "t" . "roflumilast" . "roflumilast" . . "t" . "clonazepam" . "clonazepam" . . "t" . "cosyntropin" . "cosyntropin" . . "t" . "seractide acetate" . "seractide acetate" . . "t" . "corticotropin zinc hydroxide" . "corticotropin zinc hydroxide" . . "f" . "example 92 [WO2012095521]" . "example 92 [WO2012095521]" . . "t" . "filgrastim" . "filgrastim" . . "t" . "pegfilgrastim" . "pegfilgrastim" . . "t" . "oprelvekin" . "oprelvekin" . . "t" . "anakinra" . "anakinra" . . "t" . "aminoglutethimide" . "aminoglutethimide" . . "t" . "calcitonin (salmon)" . "calcitonin (salmon)" . . "t" . "romiplostim" . "romiplostim" . . "t" . "vismodegib" . "vismodegib" . . "t" . "chlorpheniramine" . "chlorpheniramine" . . "f" . "compound 19a [PMID: 24359159]" . "compound 19a [PMID: 24359159]" . . "f" . "compound 2 [PMID: 24486398]" . "compound 2 [PMID: 24486398]" . . "f" . "semagacestat" . "semagacestat" . . "f" . "begacestat" . "begacestat" . . "f" . "azidopine" . "azidopine" . . "t" . "amlodipine" . "amlodipine" . . "f" . "NAEPA" . "NAEPA" . . "f" . "oleoyl-thiophosphate" . "oleoyl-thiophosphate" . . "f" . "T13" . "T13" . . "f" . "BrP-LPA" . "BrP-LPA" . . "f" . "syn-BrP-LPA" . "syn-BrP-LPA" . . "f" . "anti-BrP-LPA" . "anti-BrP-LPA" . . "t" . "sermorelin" . "sermorelin" . . "f" . "anacardic acid" . "anacardic acid" . . "f" . "curcumin" . "curcumin" . . "f" . "garcinol" . "garcinol" . . "f" . "epigallocatechin-3-gallate" . "epigallocatechin-3-gallate" . . "f" . "plumbagin" . "plumbagin" . . "f" . "C646" . "C646" . . "f" . "trichostatin A" . "trichostatin A" . . "t" . "romidepsin" . "romidepsin" . . "f" . "entinostat" . "entinostat" . . "f" . "mocetinostat" . "mocetinostat" . . "f" . "BTB07018" . "BTB07018" . . "t" . "valproic acid" . "valproic acid" . . "f" . "ricolinostat" . "ricolinostat" . . "t" . "tazemetostat" . "tazemetostat" . . "f" . "GSK126" . "GSK126" . . "f" . "EI1" . "EI1" . . "t" . "exemestane" . "exemestane" . . "f" . "BIX-01294" . "BIX-01294" . . "f" . "UNC0638" . "UNC0638" . . "f" . "BRD4770" . "BRD4770" . . "f" . "UNC0642" . "UNC0642" . . "f" . "bromo-deaza-SAH" . "bromo-deaza-SAH" . . "f" . "compound 74 [PMID: 24793884]" . "compound 74 [PMID: 24793884]" . . "f" . "pinometostat" . "pinometostat" . . "f" . "SGC0946" . "SGC0946" . . "f" . "AZ505" . "AZ505" . . "f" . "nahuoic acid A" . "nahuoic acid A" . . "f" . "OG-L002" . "OG-L002" . . "f" . "NCL-1" . "NCL-1" . . "f" . "ME0328" . "ME0328" . . "f" . "daminozide" . "daminozide" . . "f" . "PBIT" . "PBIT" . . "f" . "GSK-J1" . "GSK-J1" . . "f" . "AMI-1" . "AMI-1" . . "f" . "RM65" . "RM65" . . "f" . "BMS pyrazole inhibitor 7f" . "BMS pyrazole inhibitor 7f" . . "f" . "compound 17f [PMID: 19632837]" . "compound 17f [PMID: 19632837]" . . "f" . "compound 1 [PMID: 22795084]" . "compound 1 [PMID: 22795084]" . . "f" . "SCH 900271" . "SCH 900271" . . "f" . "GSK256073" . "GSK256073" . . "f" . "molibresib" . "molibresib" . . "f" . "apabetalone" . "apabetalone" . . "f" . "H3-CoA-20" . "H3-CoA-20" . . "f" . "Lys-CoA" . "Lys-CoA" . . "f" . "C21" . "C21" . . "f" . "MBP7" . "MBP7" . . "f" . "AZD2858" . "AZD2858" . . "t" . "dimethyl fumarate" . "dimethyl fumarate" . . "f" . "indisulam" . "indisulam" . . "t" . "zonisamide" . "zonisamide" . . "f" . "S-EMCA" . "S-EMCA" . . "f" . "ZM-306416" . "ZM-306416" . . "t" . "teduglutide" . "teduglutide" . . "t" . "perampanel" . "perampanel" . . "t" . "isosorbide dinitrate" . "isosorbide dinitrate" . . "t" . "isosorbide mononitrate" . "isosorbide mononitrate" . . "t" . "nitroglycerin" . "nitroglycerin" . . "t" . "sucralfate" . "sucralfate" . . "f" . "compound 7d [PMID: 19111466]" . "compound 7d [PMID: 19111466]" . . "f" . "compound 16 [PMID: 20947351]" . "compound 16 [PMID: 20947351]" . . "f" . "NQN-1" . "NQN-1" . . "t" . "beclometasone" . "beclometasone" . . "t" . "amcinonide" . "amcinonide" . . "f" . "GE-137" . "GE-137" . . "t" . "betamethasone" . "betamethasone" . . "t" . "clobetasol propionate" . "clobetasol propionate" . . "t" . "daunorubicin" . "daunorubicin" . . "t" . "deserpidine" . "deserpidine" . . "f" . "AE9C90CB" . "AE9C90CB" . . "t" . "desogestrel" . "desogestrel" . . "t" . "desonide" . "desonide" . . "t" . "desoximetasone" . "desoximetasone" . . "t" . "diflorasone diacetate" . "diflorasone diacetate" . . "t" . "fluocinonide" . "fluocinonide" . . "f" . "epicillin" . "epicillin" . . "t" . "doxorubicin" . "doxorubicin" . . "t" . "dyphylline" . "dyphylline" . . "t" . "ethinylestradiol" . "ethinylestradiol" . . "t" . "ethynodiol diacetate" . "ethynodiol diacetate" . . "f" . "compound 70 [PMID: 26161824]" . "compound 70 [PMID: 26161824]" . . "t" . "famotidine" . "famotidine" . . "t" . "flumethasone pivalate" . "flumethasone pivalate" . . "t" . "flunisolide" . "flunisolide" . . "t" . "fluocinolone acetonide" . "fluocinolone acetonide" . . "f" . "SD-208" . "SD-208" . . "t" . "fluorometholone" . "fluorometholone" . . "t" . "fluticasone propionate" . "fluticasone propionate" . . "t" . "hydrocodone" . "hydrocodone" . . "t" . "hydromorphone" . "hydromorphone" . . "t" . "idarubicin" . "idarubicin" . . "t" . "loteprednol etabonate" . "loteprednol etabonate" . . "t" . "medrysone" . "medrysone" . . "t" . "mestranol" . "mestranol" . . "t" . "methylprednisolone" . "methylprednisolone" . . "t" . "oxymorphone" . "oxymorphone" . . "t" . "mitomycin C" . "mitomycin C" . . "t" . "nelarabine" . "nelarabine" . . "t" . "norgestimate" . "norgestimate" . . "t" . "oxandrolone" . "oxandrolone" . . "t" . "oxycodone" . "oxycodone" . . "t" . "pentoxifylline" . "pentoxifylline" . . "t" . "prednisone" . "prednisone" . . "t" . "quinestrol" . "quinestrol" . . "t" . "rescinnamine" . "rescinnamine" . . "t" . "rimexolone" . "rimexolone" . . "t" . "testosterone propionate" . "testosterone propionate" . . "t" . "topotecan" . "topotecan" . . "t" . "travoprost" . "travoprost" . . "t" . "ursodeoxycholic acid" . "ursodeoxycholic acid" . . "f" . "compound 21 [PMID: 23312943]" . "compound 21 [PMID: 23312943]" . . "t" . "vinorelbine" . "vinorelbine" . . "t" . "acamprosate" . "acamprosate" . . "t" . "acebutolol" . "acebutolol" . . "t" . "alfentanil" . "alfentanil" . . "t" . "alfuzosin" . "alfuzosin" . . "f" . "MI-1148" . "MI-1148" . . "t" . "almotriptan" . "almotriptan" . . "t" . "alprazolam" . "alprazolam" . . "t" . "altretamine" . "altretamine" . . "t" . "amlexanox" . "amlexanox" . . "t" . "anagrelide" . "anagrelide" . . "f" . "compound 10f [PMID: 24556381]" . "compound 10f [PMID: 24556381]" . . "t" . "anileridine" . "anileridine" . . "t" . "antazoline" . "antazoline" . . "t" . "apraclonidine" . "apraclonidine" . . "t" . "atomoxetine" . "atomoxetine" . . "t" . "azatadine" . "azatadine" . . "t" . "azathioprine" . "azathioprine" . . "t" . "azelastine" . "azelastine" . . "t" . "bendroflumethiazide" . "bendroflumethiazide" . . "t" . "oxybuprocaine" . "oxybuprocaine" . . "t" . "benzquinamide" . "benzquinamide" . . "t" . "benzthiazide" . "benzthiazide" . . "t" . "betazole" . "betazole" . . "t" . "biperiden" . "biperiden" . . "t" . "bisoprolol" . "bisoprolol" . . "t" . "butalbital" . "butalbital" . . "t" . "bretylium" . "bretylium" . . "t" . "bromfenac" . "bromfenac" . . "t" . "bromodiphenhydramine" . "bromodiphenhydramine" . . "t" . "brompheniramine" . "brompheniramine" . . "f" . "compound 10l [PMID: 24556381]" . "compound 10l [PMID: 24556381]" . . "t" . "buclizine" . "buclizine" . . "t" . "bupropion" . "bupropion" . . "t" . "busulfan" . "busulfan" . . "t" . "butabarbital" . "butabarbital" . . "t" . "carbinoxamine" . "carbinoxamine" . . "t" . "carphenazine" . "carphenazine" . . "t" . "carprofen" . "carprofen" . . "t" . "carteolol" . "carteolol" . . "t" . "chlorambucil" . "chlorambucil" . . "t" . "chloroprocaine" . "chloroprocaine" . . "t" . "chlorotrianisene" . "chlorotrianisene" . . "t" . "chlorthalidone" . "chlorthalidone" . . "t" . "cilostazol" . "cilostazol" . . "t" . "clobazam" . "clobazam" . . "f" . "compound 28 [PMID: 16460935]" . "compound 28 [PMID: 16460935]" . . "t" . "clopidogrel" . "clopidogrel" . . "t" . "cyclizine" . "cyclizine" . . "t" . "cyclobenzaprine" . "cyclobenzaprine" . . "t" . "cyclopentolate" . "cyclopentolate" . . "t" . "epinastine" . "epinastine" . . "t" . "cyclophosphamide" . "cyclophosphamide" . . "t" . "dapiprazole" . "dapiprazole" . . "t" . "desflurane" . "desflurane" . . "t" . "desloratadine" . "desloratadine" . . "t" . "desvenlafaxine" . "desvenlafaxine" . . "t" . "dibucaine" . "dibucaine" . . "t" . "dienestrol" . "dienestrol" . . "t" . "diethylpropion" . "diethylpropion" . . "t" . "diflunisal" . "diflunisal" . . "t" . "pethidine" . "pethidine" . . "t" . "diphenidol" . "diphenidol" . . "t" . "diphenoxylate" . "diphenoxylate" . . "t" . "diphenylpyraline" . "diphenylpyraline" . . "t" . "dipivefrine" . "dipivefrine" . . "f" . "zopolrestat" . "zopolrestat" . . "t" . "disopyramide" . "disopyramide" . . "t" . "disulfiram" . "disulfiram" . . "t" . "doxapram" . "doxapram" . . "t" . "doxazosin" . "doxazosin" . . "t" . "lenvatinib" . "lenvatinib" . . "t" . "doxylamine" . "doxylamine" . . "t" . "droperidol" . "droperidol" . . "t" . "dyclonine" . "dyclonine" . . "t" . "emedastine" . "emedastine" . . "t" . "enflurane" . "enflurane" . . "t" . "escitalopram" . "escitalopram" . . "t" . "esmolol" . "esmolol" . . "t" . "ethacrynic acid" . "ethacrynic acid" . . "t" . "ethchlorvynol" . "ethchlorvynol" . . "f" . "5H3'FPE" . "5H3'FPE" . . "t" . "ethopropazine" . "ethopropazine" . . "t" . "ethosuximide" . "ethosuximide" . . "t" . "ethotoin" . "ethotoin" . . "t" . "etidronic acid" . "etidronic acid" . . "t" . "etodolac" . "etodolac" . . "t" . "fenofibrate" . "fenofibrate" . . "t" . "flavoxate" . "flavoxate" . . "t" . "flurazepam" . "flurazepam" . . "t" . "fluvoxamine" . "fluvoxamine" . . "f" . "compound 30 [PMID: 22239545]" . "compound 30 [PMID: 22239545]" . . "t" . "fosphenytoin" . "fosphenytoin" . . "t" . "frovatriptan" . "frovatriptan" . . "t" . "glutethimide" . "glutethimide" . . "t" . "guanadrel" . "guanadrel" . . "t" . "vilazodone" . "vilazodone" . . "t" . "guanethidine" . "guanethidine" . . "t" . "halazepam" . "halazepam" . . "t" . "hexylcaine" . "hexylcaine" . . "t" . "hydroflumethiazide" . "hydroflumethiazide" . . "t" . "hydroxychloroquine" . "hydroxychloroquine" . . "t" . "hydroxyzine" . "hydroxyzine" . . "t" . "ibutilide" . "ibutilide" . . "t" . "ifosfamide" . "ifosfamide" . . "t" . "inamrinone" . "inamrinone" . . "f" . "MS436" . "MS436" . . "t" . "indapamide" . "indapamide" . . "t" . "isocarboxazid" . "isocarboxazid" . . "t" . "isoetarine" . "isoetarine" . . "t" . "ketotifen" . "ketotifen" . . "f" . "BIC1" . "BIC1" . . "f" . "NanoLuc-INSL3" . "NanoLuc-INSL3" . . "t" . "labetalol" . "labetalol" . . "t" . "lansoprazole" . "lansoprazole" . . "t" . "levallorphan" . "levallorphan" . . "t" . "levamisole" . "levamisole" . . "t" . "olodaterol" . "olodaterol" . . "t" . "levobupivacaine" . "levobupivacaine" . . "t" . "levomethadyl acetate" . "levomethadyl acetate" . . "t" . "lisdexamfetamine" . "lisdexamfetamine" . . "t" . "lomustine" . "lomustine" . . "t" . "mephentermine" . "mephentermine" . . "t" . "loperamide" . "loperamide" . . "t" . "loratadine" . "loratadine" . . "t" . "mechlorethamine" . "mechlorethamine" . . "t" . "meclofenamic acid" . "meclofenamic acid" . . "t" . "meloxicam" . "meloxicam" . . "t" . "mephenytoin" . "mephenytoin" . . "t" . "mepivacaine" . "mepivacaine" . . "t" . "meprobamate" . "meprobamate" . . "t" . "mercaptopurine" . "mercaptopurine" . . "f" . "compound 21n [PMID: 17656086]" . "compound 21n [PMID: 17656086]" . . "t" . "mesoridazine" . "mesoridazine" . . "t" . "mesuximide" . "mesuximide" . . "t" . "metaraminol" . "metaraminol" . . "t" . "metharbital" . "metharbital" . . "f" . "multi-Leu (ML)-peptide" . "multi-Leu (ML)-peptide" . . "t" . "methixene" . "methixene" . . "t" . "methohexital" . "methohexital" . . "t" . "methoxyflurane" . "methoxyflurane" . . "t" . "methyclothiazide" . "methyclothiazide" . . "t" . "methylphenidate" . "methylphenidate" . . "t" . "alimemazine" . "alimemazine" . . "t" . "methyprylon" . "methyprylon" . . "t" . "metipranolol" . "metipranolol" . . "t" . "midodrine" . "midodrine" . . "f" . "LDC1267" . "LDC1267" . . "t" . "mirtazapine" . "mirtazapine" . . "t" . "mitoxantrone" . "mitoxantrone" . . "t" . "mivacurium" . "mivacurium" . . "t" . "moracizine" . "moracizine" . . "f" . "compound 34 [PMID: 20866075]" . "compound 34 [PMID: 20866075]" . . "t" . "nabumetone" . "nabumetone" . . "t" . "nebivolol" . "nebivolol" . . "t" . "nefazodone" . "nefazodone" . . "t" . "nizatidine" . "nizatidine" . . "f" . "minimised relaxin-3 analogue A chain" . "minimised relaxin-3 analogue A chain" . . "t" . "olopatadine" . "olopatadine" . . "t" . "orciprenaline" . "orciprenaline" . . "t" . "orphenadrine" . "orphenadrine" . . "t" . "oxaprozin" . "oxaprozin" . . "t" . "oxazepam" . "oxazepam" . . "t" . "oxcarbazepine" . "oxcarbazepine" . . "t" . "oxprenolol" . "oxprenolol" . . "t" . "oxyphencyclimine" . "oxyphencyclimine" . . "t" . "oxyphenonium" . "oxyphenonium" . . "f" . "minimised relaxin-3 analogue 3 B chain" . "minimised relaxin-3 analogue 3 B chain" . . "f" . "A(9-26)INSL3" . "A(9-26)INSL3" . . "t" . "paliperidone" . "paliperidone" . . "t" . "pamidronic acid" . "pamidronic acid" . . "t" . "pantoprazole" . "pantoprazole" . . "t" . "paramethadione" . "paramethadione" . . "f" . "A(10-24)INSL3" . "A(10-24)INSL3" . . "f" . "A(C10/15S)INSL3" . "A(C10/15S)INSL3" . . "t" . "pargyline" . "pargyline" . . "t" . "penbutolol" . "penbutolol" . . "t" . "penicillamine" . "penicillamine" . . "t" . "phenacemide" . "phenacemide" . . "t" . "pipotiazine" . "pipotiazine" . . "t" . "phenelzine" . "phenelzine" . . "t" . "pheniramine" . "pheniramine" . . "t" . "phenoxybenzamine" . "phenoxybenzamine" . . "t" . "phentermine" . "phentermine" . . "f" . "μ-conotoxin SmIIIA" . "μ-conotoxin SmIIIA" . . "f" . "cangitoxin II" . "cangitoxin II" . . "f" . "δ-hexatoxin-Mg1a" . "δ-hexatoxin-Mg1a" . . "t" . "phenylbutazone" . "phenylbutazone" . . "t" . "pipobroman" . "pipobroman" . . "t" . "pirbuterol" . "pirbuterol" . . "t" . "piroxicam" . "piroxicam" . . "t" . "ropinirole" . "ropinirole" . . "t" . "polythiazide" . "polythiazide" . . "t" . "prazepam" . "prazepam" . . "t" . "prilocaine" . "prilocaine" . . "t" . "probucol" . "probucol" . . "f" . "huwentoxin IV" . "huwentoxin IV" . . "f" . "protoxin II" . "protoxin II" . . "t" . "procarbazine" . "procarbazine" . . "t" . "prochlorperazine" . "prochlorperazine" . . "t" . "procyclidine" . "procyclidine" . . "t" . "promazine" . "promazine" . . "f" . "A(Δ10/15C)INSL3" . "A(Δ10/15C)INSL3" . . "t" . "promethazine" . "promethazine" . . "t" . "proparacaine" . "proparacaine" . . "t" . "propiomazine" . "propiomazine" . . "t" . "protriptyline" . "protriptyline" . . "f" . "cyclic INSL3 B-chain analogue 6" . "cyclic INSL3 B-chain analogue 6" . . "f" . "compound 30 [PMID: 15953724]" . "compound 30 [PMID: 15953724]" . . "t" . "pseudoephedrine" . "pseudoephedrine" . . "t" . "pyrazinamide" . "pyrazinamide" . . "t" . "quazepam" . "quazepam" . . "t" . "quinethazone" . "quinethazone" . . "t" . "sevoflurane" . "sevoflurane" . . "t" . "rabeprazole" . "rabeprazole" . . "t" . "ranolazine" . "ranolazine" . . "t" . "remifentanil" . "remifentanil" . . "t" . "ritodrine" . "ritodrine" . . "f" . "minimised INSL5 analogue 7" . "minimised INSL5 analogue 7" . . "t" . "sotalol" . "sotalol" . . "t" . "suprofen" . "suprofen" . . "t" . "tadalafil" . "tadalafil" . . "t" . "temazepam" . "temazepam" . . "f" . "minimised INSL5 analogue 7 A chain" . "minimised INSL5 analogue 7 A chain" . . "t" . "temozolomide" . "temozolomide" . . "t" . "terazosin" . "terazosin" . . "t" . "testolactone" . "testolactone" . . "t" . "thiabendazole" . "thiabendazole" . . "t" . "thiamylal" . "thiamylal" . . "t" . "thiethylperazine" . "thiethylperazine" . . "t" . "ticlopidine" . "ticlopidine" . . "t" . "tizanidine" . "tizanidine" . . "t" . "tocainide" . "tocainide" . . "t" . "chlophedianol" . "chlophedianol" . . "t" . "tolazoline" . "tolazoline" . . "t" . "tolmetin" . "tolmetin" . . "t" . "torsemide" . "torsemide" . . "t" . "triazolam" . "triazolam" . . "f" . "AZD1332" . "AZD1332" . . "t" . "trichlormethiazide" . "trichlormethiazide" . . "t" . "trihexyphenidyl" . "trihexyphenidyl" . . "t" . "trimethadione" . "trimethadione" . . "t" . "trimipramine" . "trimipramine" . . "f" . "ABT-639" . "ABT-639" . . "f" . "Lys-thiol" . "Lys-thiol" . . "t" . "tripelennamine" . "tripelennamine" . . "t" . "tropicamide" . "tropicamide" . . "t" . "vardenafil" . "vardenafil" . . "t" . "venlafaxine" . "venlafaxine" . . "t" . "chlormezanone" . "chlormezanone" . . "t" . "ethinamate" . "ethinamate" . . "t" . "hydralazine" . "hydralazine" . . "t" . "thalidomide" . "thalidomide" . . "t" . "tromethamine" . "tromethamine" . . "t" . "pemirolast" . "pemirolast" . . "t" . "dexrazoxane" . "dexrazoxane" . . "t" . "lenalidomide" . "lenalidomide" . . "f" . "barasertib" . "barasertib" . . "t" . "metreleptin" . "metreleptin" . . "f" . "4-acryloylphenol" . "4-acryloylphenol" . . "t" . "oliceridine" . "oliceridine" . . "t" . "nivolumab" . "nivolumab" . . "f" . "etazolate" . "etazolate" . . "f" . "ELND006" . "ELND006" . . "t" . "flutemetamol" . "flutemetamol" . . "f" . "RO4929097" . "RO4929097" . . "f" . "CHF-5074" . "CHF-5074" . . "f" . "(R)-flurbiprofen" . "(R)-flurbiprofen" . . "t" . "ataluren" . "ataluren" . . "f" . "ilomastat" . "ilomastat" . . "t" . "evolocumab" . "evolocumab" . . "t" . "florbetapir" . "florbetapir" . . "t" . "arbekacin" . "arbekacin" . . "f" . "MK-0249" . "MK-0249" . . "t" . "crisantaspase" . "crisantaspase" . . "f" . "tanaproget" . "tanaproget" . . "t" . "pomalidomide" . "pomalidomide" . . "t" . "ospemifene" . "ospemifene" . . "t" . "eslicarbazepine" . "eslicarbazepine" . . "t" . "vortioxetine" . "vortioxetine" . . "t" . "macitentan" . "macitentan" . . "t" . "vilanterol" . "vilanterol" . . "t" . "umeclidinium" . "umeclidinium" . . "t" . "bazedoxifene" . "bazedoxifene" . . "f" . "veliparib" . "veliparib" . . "f" . "cerlapirdine" . "cerlapirdine" . . "f" . "ABT-384" . "ABT-384" . . "f" . "E2012" . "E2012" . . "f" . "p-hydroxyatorvastatin" . "p-hydroxyatorvastatin" . . "f" . "AZD1283" . "AZD1283" . . "f" . "compound 24 [PMID: 16451050]" . "compound 24 [PMID: 16451050]" . . "f" . "JDTic" . "JDTic" . . "f" . "neurotensin-(8-13)" . "neurotensin-(8-13)" . . "t" . "mipomersen" . "mipomersen" . . "t" . "dolutegravir" . "dolutegravir" . . "t" . "luliconazole" . "luliconazole" . . "t" . "simeprevir" . "simeprevir" . . "t" . "sofosbuvir" . "sofosbuvir" . . "f" . "ASS234" . "ASS234" . . "f" . "KB-74935" . "KB-74935" . . "f" . "AQW051" . "AQW051" . . "t" . "apremilast" . "apremilast" . . "t" . "AlprolixTM" . "AlprolixTM" . . "f" . "tubacin" . "tubacin" . . "f" . "BRD9539" . "BRD9539" . . "f" . "compound (R)-10h [PMID: 22490048]" . "compound (R)-10h [PMID: 22490048]" . . "f" . "rilapladib" . "rilapladib" . . "f" . "EPZ004777" . "EPZ004777" . . "t" . "tebentafusp" . "tebentafusp" . . "f" . "dinaciclib" . "dinaciclib" . . "f" . "compound 4b [PMID: 19683441]" . "compound 4b [PMID: 19683441]" . . "t" . "palbociclib" . "palbociclib" . . "f" . "RS-100329" . "RS-100329" . . "t" . "abemaciclib" . "abemaciclib" . . "t" . "ribociclib" . "ribociclib" . . "t" . "blinatumomab" . "blinatumomab" . . "f" . "pyrrolidine MCHR1 antagonist 1" . "pyrrolidine MCHR1 antagonist 1" . . "t" . "catumaxomab" . "catumaxomab" . . "t" . "albiglutide" . "albiglutide" . . "t" . "lixisenatide" . "lixisenatide" . . "f" . "acelarin" . "acelarin" . . "f" . "zenarestat" . "zenarestat" . . "t" . "ramucirumab" . "ramucirumab" . . "t" . "droxidopa" . "droxidopa" . . "t" . "elosulfase alfa" . "elosulfase alfa" . . "t" . "tasimelteon" . "tasimelteon" . . "f" . "ML355" . "ML355" . . "f" . "gevokizumab" . "gevokizumab" . . "t" . "daratumumab" . "daratumumab" . . "t" . "siltuximab" . "siltuximab" . . "t" . "ceritinib" . "ceritinib" . . "f" . "ethcathinone" . "ethcathinone" . . "t" . "ibudilast" . "ibudilast" . . "t" . "iodipamide" . "iodipamide" . . "t" . "nimesulide" . "nimesulide" . . "t" . "phenacetin" . "phenacetin" . . "t" . "raltitrexed" . "raltitrexed" . . "t" . "tolrestat" . "tolrestat" . . "f" . "aleglitazar" . "aleglitazar" . . "f" . "brequinar" . "brequinar" . . "f" . "cilomilast" . "cilomilast" . . "f" . "eribaxaban" . "eribaxaban" . . "f" . "afegostat" . "afegostat" . . "f" . "lidorestat" . "lidorestat" . . "f" . "metoprine" . "metoprine" . . "f" . "gosogliptin" . "gosogliptin" . . "f" . "piritrexim" . "piritrexim" . . "f" . "sorbinil" . "sorbinil" . . "t" . "carfilzomib" . "carfilzomib" . . "t" . "dacomitinib" . "dacomitinib" . . "f" . "linsitinib" . "linsitinib" . . "f" . "perifosine" . "perifosine" . . "f" . "compound 38 [PMID: 22123324]" . "compound 38 [PMID: 22123324]" . . "t" . "moclobemide" . "moclobemide" . . "t" . "eszopiclone" . "eszopiclone" . . "t" . "zopiclone" . "zopiclone" . . "f" . "lorvotuzumab mertansine" . "lorvotuzumab mertansine" . . "f" . "conkunitzin-S1 toxin" . "conkunitzin-S1 toxin" . . "f" . "RY796" . "RY796" . . "f" . "birinapant" . "birinapant" . . "t" . "oxaliplatin" . "oxaliplatin" . . "t" . "budesonide" . "budesonide" . . "t" . "levomilnacipran" . "levomilnacipran" . . "f" . "amiselimod phosphate" . "amiselimod phosphate" . . "t" . "milnacipran" . "milnacipran" . . "t" . "vedolizumab" . "vedolizumab" . . "t" . "methacholine" . "methacholine" . . "t" . "lomitapide" . "lomitapide" . . "f" . "GxTx-1E" . "GxTx-1E" . . "t" . "mercaptamine" . "mercaptamine" . . "t" . "icosapent" . "icosapent" . . "f" . "JNJ-16567083" . "JNJ-16567083" . . "t" . "ingenol mebutate" . "ingenol mebutate" . . "t" . "taliglucerase alfa" . "taliglucerase alfa" . . "t" . "mirabegron" . "mirabegron" . . "t" . "ocriplasmin" . "ocriplasmin" . . "t" . "peginesatide" . "peginesatide" . . "t" . "avanafil" . "avanafil" . . "f" . "SGTx1" . "SGTx1" . . "f" . "HaTx1" . "HaTx1" . . "f" . "analog 32 [PMID:18543899]" . "analog 32 [PMID:18543899]" . . "t" . "aclidinium" . "aclidinium" . . "t" . "glucarpidase" . "glucarpidase" . . "t" . "tafluprost" . "tafluprost" . . "f" . "tafluprost acid" . "tafluprost acid" . . "t" . "crofelemer" . "crofelemer" . . "t" . "omacetaxine mepesuccinate" . "omacetaxine mepesuccinate" . . "t" . "indacaterol" . "indacaterol" . . "t" . "deferiprone" . "deferiprone" . . "t" . "dutasteride" . "dutasteride" . . "f" . "SsmTx-1" . "SsmTx-1" . . "f" . "NP118809" . "NP118809" . . "t" . "carglumic acid" . "carglumic acid" . . "t" . "glycopyrrolate" . "glycopyrrolate" . . "t" . "ulipristal acetate" . "ulipristal acetate" . . "t" . "lurasidone" . "lurasidone" . . "f" . "TROX-1" . "TROX-1" . . "t" . "peginterferon alfa-2b" . "peginterferon alfa-2b" . . "t" . "pegloticase" . "pegloticase" . . "t" . "velaglucerase alfa" . "velaglucerase alfa" . . "t" . "dronedarone" . "dronedarone" . . "f" . "compound 10a [PMID: 1447738]" . "compound 10a [PMID: 1447738]" . . "t" . "bepotastine" . "bepotastine" . . "t" . "rasburicase" . "rasburicase" . . "t" . "clevidipine" . "clevidipine" . . "t" . "ciclesonide" . "ciclesonide" . . "f" . "compound 39a [PMID: 15634016]" . "compound 39a [PMID: 15634016]" . . "t" . "rufinamide" . "rufinamide" . . "t" . "alvimopan" . "alvimopan" . . "t" . "lacosamide" . "lacosamide" . . "t" . "fesoterodine" . "fesoterodine" . . "f" . "minimised relaxin-3 analogue 2" . "minimised relaxin-3 analogue 2" . . "t" . "difluprednate" . "difluprednate" . . "t" . "fospropofol" . "fospropofol" . . "t" . "lorlatinib" . "lorlatinib" . . "t" . "tapentadol" . "tapentadol" . . "f" . "relaxin-3 B chain dimer" . "relaxin-3 B chain dimer" . . "f" . "compound 38a [PMID: 15634016]" . "compound 38a [PMID: 15634016]" . . "t" . "bendamustine" . "bendamustine" . . "t" . "arformoterol" . "arformoterol" . . "t" . "trospium" . "trospium" . . "t" . "lumacaftor" . "lumacaftor" . . "f" . "P4 [PMID: 25923432]" . "P4 [PMID: 25923432]" . . "t" . "pramlintide" . "pramlintide" . . "t" . "solifenacin" . "solifenacin" . . "t" . "azelaic acid" . "azelaic acid" . . "t" . "pegvisomant" . "pegvisomant" . . "t" . "palonosetron" . "palonosetron" . . "t" . "alpha1-proteinase inhibitor" . "alpha1-proteinase inhibitor" . . "f" . "MG149" . "MG149" . . "t" . "panobinostat" . "panobinostat" . . "f" . "AZ4800" . "AZ4800" . . "f" . "givinostat" . "givinostat" . . "f" . "TMP269" . "TMP269" . . "f" . "compound 9 [PMID: 23788254]" . "compound 9 [PMID: 23788254]" . . "f" . "SRTCX1003" . "SRTCX1003" . . "f" . "compound 17 [PMID: 23888693]" . "compound 17 [PMID: 23888693]" . . "f" . "apicidin" . "apicidin" . . "t" . "belinostat" . "belinostat" . . "f" . "dacinostat" . "dacinostat" . . "t" . "bufexamac" . "bufexamac" . . "t" . "pembrolizumab" . "pembrolizumab" . . "f" . "RGFP966" . "RGFP966" . . "f" . "RGFP109" . "RGFP109" . . "f" . "purvalanol B" . "purvalanol B" . . "f" . "resminostat" . "resminostat" . . "f" . "quisinostat" . "quisinostat" . . "f" . "nexturastat A" . "nexturastat A" . . "f" . "scriptaid" . "scriptaid" . . "f" . "ischemin" . "ischemin" . . "f" . "compound 1 [PMID: 15724976]" . "compound 1 [PMID: 15724976]" . . "f" . "MS7972" . "MS7972" . . "f" . "(+)-JQ1" . "(+)-JQ1" . . "f" . "MS417" . "MS417" . . "f" . "CPI-203" . "CPI-203" . . "f" . "GW841819X" . "GW841819X" . . "f" . "BzT-7" . "BzT-7" . . "f" . "compound 4d [PMID: 21851057]" . "compound 4d [PMID: 21851057]" . . "f" . "compound 9 [PMID: 23517011]" . "compound 9 [PMID: 23517011]" . . "f" . "I-BET151" . "I-BET151" . . "t" . "olaparib" . "olaparib" . . "f" . "R55" . "R55" . . "f" . "compound 36 [PMID: 24000170]" . "compound 36 [PMID: 24000170]" . . "f" . "compound 38 [PMID: 24000170]" . "compound 38 [PMID: 24000170]" . . "f" . "PFI-1" . "PFI-1" . . "f" . "XD14" . "XD14" . . "f" . "XD1" . "XD1" . . "f" . "isoxazole azepine compound 3" . "isoxazole azepine compound 3" . . "f" . "compound 15 [Hay et al., 2013]" . "compound 15 [Hay et al., 2013]" . . "f" . "SGC-CBP30" . "SGC-CBP30" . . "f" . "compound 35 [PMID: 23916259]" . "compound 35 [PMID: 23916259]" . . "f" . "2-PMAP" . "2-PMAP" . . "f" . "compound 7 [PMID: 24825313]" . "compound 7 [PMID: 24825313]" . . "t" . "pirfenidone" . "pirfenidone" . . "t" . "lifitegrast" . "lifitegrast" . . "t" . "conestat alfa" . "conestat alfa" . . "t" . "eteplirsen" . "eteplirsen" . . "t" . "cobicistat" . "cobicistat" . . "t" . "eliglustat" . "eliglustat" . . "f" . "norzotepine" . "norzotepine" . . "f" . "JNJ-47965567" . "JNJ-47965567" . . "f" . "P8 [PMID: 25923432]" . "P8 [PMID: 25923432]" . . "t" . "naloxegol" . "naloxegol" . . "t" . "brodalumab" . "brodalumab" . . "t" . "ixekizumab" . "ixekizumab" . . "f" . "lasofoxifene" . "lasofoxifene" . . "t" . "blonanserin" . "blonanserin" . . "t" . "pixantrone" . "pixantrone" . . "f" . "N-desalkylquetiapine" . "N-desalkylquetiapine" . . "f" . "bitopertin" . "bitopertin" . . "t" . "citalopram" . "citalopram" . . "t" . "clorazepate" . "clorazepate" . . "t" . "dosulepin" . "dosulepin" . . "t" . "estazolam" . "estazolam" . . "t" . "lofepramine" . "lofepramine" . . "t" . "selexipag" . "selexipag" . . "f" . "A(4-24)(B7-24)H2" . "A(4-24)(B7-24)H2" . . "t" . "lormetazepam" . "lormetazepam" . . "t" . "dexmethylphenidate" . "dexmethylphenidate" . . "t" . "modafinil" . "modafinil" . . "t" . "perospirone" . "perospirone" . . "f" . "A(4-24)(B7-24)H2 chain A" . "A(4-24)(B7-24)H2 chain A" . . "f" . "A(4-24)(B7-24)H2 chain B" . "A(4-24)(B7-24)H2 chain B" . . "t" . "tianeptine" . "tianeptine" . . "t" . "zuclopenthixol" . "zuclopenthixol" . . "t" . "gabapentin enacarbil" . "gabapentin enacarbil" . . "t" . "alglucosidase alfa" . "alglucosidase alfa" . . "t" . "insulin glargine" . "insulin glargine" . . "t" . "prasugrel" . "prasugrel" . . "t" . "methylnaltrexone" . "methylnaltrexone" . . "t" . "nepafenac" . "nepafenac" . . "t" . "amfenac" . "amfenac" . . "f" . "benzamidine" . "benzamidine" . . "f" . "omaveloxolone" . "omaveloxolone" . . "t" . "dupilumab" . "dupilumab" . . "t" . "edoxaban" . "edoxaban" . . "t" . "andexanet alfa" . "andexanet alfa" . . "f" . "compound 15a [PMID: 22464687]" . "compound 15a [PMID: 22464687]" . . "f" . "compound 13k [PMID: 22390415]" . "compound 13k [PMID: 22390415]" . . "t" . "ocrelizumab" . "ocrelizumab" . . "f" . "(S)-crizotinib" . "(S)-crizotinib" . . "f" . "carmoterol" . "carmoterol" . . "f" . "iodocyanopindolol" . "iodocyanopindolol" . . "f" . "NVP-BBT594" . "NVP-BBT594" . . "f" . "BETP" . "BETP" . . "f" . "mavoglurant" . "mavoglurant" . . "t" . "alcaftadine" . "alcaftadine" . . "t" . "trimetrexate" . "trimetrexate" . . "t" . "dexbrompheniramine" . "dexbrompheniramine" . . "t" . "ceruletide" . "ceruletide" . . "t" . "etonogestrel" . "etonogestrel" . . "t" . "butorphanol" . "butorphanol" . . "f" . "A(4-24)(F23A)H2" . "A(4-24)(F23A)H2" . . "t" . "difenoxin" . "difenoxin" . . "t" . "dextropropoxyphene" . "dextropropoxyphene" . . "t" . "dihydrocodeine" . "dihydrocodeine" . . "t" . "levorphanol" . "levorphanol" . . "f" . "(+)-propranolol" . "(+)-propranolol" . . "f" . "INSL5 amide (human)" . "INSL5 amide (human)" . . "t" . "pralidoxime" . "pralidoxime" . . "t" . "acitretin" . "acitretin" . . "t" . "etretinate" . "etretinate" . . "t" . "isotretinoin" . "isotretinoin" . . "t" . "benzatropine" . "benzatropine" . . "t" . "ropivacaine" . "ropivacaine" . . "t" . "levomepromazine" . "levomepromazine" . . "t" . "tiludronic acid" . "tiludronic acid" . . "f" . "AZD7268" . "AZD7268" . . "t" . "prednicarbate" . "prednicarbate" . . "t" . "fludroxycortide" . "fludroxycortide" . . "t" . "nedocromil" . "nedocromil" . . "t" . "cromoglicic acid" . "cromoglicic acid" . . "f" . "TCN-201" . "TCN-201" . . "t" . "metaxalone" . "metaxalone" . . "t" . "carisoprodol" . "carisoprodol" . . "t" . "benzonatate" . "benzonatate" . . "f" . "phensuximide" . "phensuximide" . . "f" . "INSL5 amide (mouse)" . "INSL5 amide (mouse)" . . "f" . "candesartan cilexetil" . "candesartan cilexetil" . . "t" . "trimethobenzamide" . "trimethobenzamide" . . "t" . "secobarbital" . "secobarbital" . . "t" . "phenazopyridine" . "phenazopyridine" . . "t" . "guaifenesin" . "guaifenesin" . . "f" . "ZM447439" . "ZM447439" . . "f" . "hesperadin" . "hesperadin" . . "t" . "betanidine" . "betanidine" . . "f" . "enclomiphene" . "enclomiphene" . . "t" . "melphalan" . "melphalan" . . "t" . "uramustine" . "uramustine" . . "f" . "compound 23 [PMID: 17125252]" . "compound 23 [PMID: 17125252]" . . "t" . "thiotepa" . "thiotepa" . . "t" . "fosaprepitant" . "fosaprepitant" . . "t" . "carboplatin" . "carboplatin" . . "f" . "BP 897" . "BP 897" . . "t" . "cobimetinib" . "cobimetinib" . . "t" . "testosterone phenylpropionate" . "testosterone phenylpropionate" . . "t" . "testosterone isocaproate" . "testosterone isocaproate" . . "t" . "testosterone decanoate" . "testosterone decanoate" . . "f" . "ML375" . "ML375" . . "f" . "VU0119498" . "VU0119498" . . "f" . "VU0010010" . "VU0010010" . . "f" . "C7/3-phth" . "C7/3-phth" . . "f" . "Duo3" . "Duo3" . . "f" . "fanapanel" . "fanapanel" . . "t" . "cariprazine" . "cariprazine" . . "t" . "peginterferon beta-1a" . "peginterferon beta-1a" . . "t" . "dulaglutide" . "dulaglutide" . . "f" . "laquinimod" . "laquinimod" . . "t" . "simotinib" . "simotinib" . . "t" . "levobetaxolol" . "levobetaxolol" . . "t" . "icotinib" . "icotinib" . . "f" . "PKI166" . "PKI166" . . "f" . "AEE788" . "AEE788" . . "f" . "pelitinib" . "pelitinib" . . "f" . "varlitinib" . "varlitinib" . . "f" . "falnidamol" . "falnidamol" . . "f" . "BMS-599626" . "BMS-599626" . . "t" . "rivoceranib" . "rivoceranib" . . "f" . "lucitanib" . "lucitanib" . . "f" . "UNC9975" . "UNC9975" . . "f" . "UNC0006" . "UNC0006" . . "f" . "UNC9994" . "UNC9994" . . "t" . "ioflupane" . "ioflupane" . . "f" . "PF-4708671" . "PF-4708671" . . "t" . "dienogest" . "dienogest" . . "t" . "estradiol valerate" . "estradiol valerate" . . "f" . "ICA-105574" . "ICA-105574" . . "f" . "RPR260243" . "RPR260243" . . "f" . "ginsenoside Rg3" . "ginsenoside Rg3" . . "f" . "KB-130015" . "KB-130015" . . "f" . "NS3623" . "NS3623" . . "f" . "A-935142" . "A-935142" . . "f" . "VU0405601" . "VU0405601" . . "f" . "CX4" . "CX4" . . "f" . "NC00075159" . "NC00075159" . . "f" . "ML213" . "ML213" . . "f" . "ML277" . "ML277" . . "f" . "ICA-27243" . "ICA-27243" . . "f" . "ztz240" . "ztz240" . . "f" . "QO-58" . "QO-58" . . "t" . "brexpiprazole" . "brexpiprazole" . . "t" . "lesinurad" . "lesinurad" . . "t" . "benralizumab" . "benralizumab" . . "t" . "moxetumomab pasudotox" . "moxetumomab pasudotox" . . "f" . "PD-118057" . "PD-118057" . . "f" . "PD-307243" . "PD-307243" . . "f" . "AZD8529" . "AZD8529" . . "f" . "AZD3778" . "AZD3778" . . "f" . "AZD1981" . "AZD1981" . . "f" . "lanicemine" . "lanicemine" . . "f" . "GSK269962A" . "GSK269962A" . . "f" . "atecegatran metoxil" . "atecegatran metoxil" . . "f" . "PF-592379" . "PF-592379" . . "f" . "lebrikizumab" . "lebrikizumab" . . "t" . "mepolizumab" . "mepolizumab" . . "f" . "AZD5672" . "AZD5672" . . "f" . "AZD6703" . "AZD6703" . . "f" . "AR-H067637" . "AR-H067637" . . "f" . "γ-KTx1.7" . "γ-KTx1.7" . . "t" . "eluxadoline" . "eluxadoline" . . "f" . "pidilizumab" . "pidilizumab" . . "f" . "SB269652" . "SB269652" . . "f" . "AZD4017" . "AZD4017" . . "f" . "VU591" . "VU591" . . "f" . "AZD0328" . "AZD0328" . . "f" . "AZD1208" . "AZD1208" . . "f" . "vistusertib" . "vistusertib" . . "f" . "BI-D1870" . "BI-D1870" . . "f" . "AZD1656" . "AZD1656" . . "f" . "adavosertib" . "adavosertib" . . "f" . "SRT1720" . "SRT1720" . . "f" . "AZD2927" . "AZD2927" . . "f" . "LUF6200" . "LUF6200" . . "f" . "lesogaberan" . "lesogaberan" . . "f" . "AZD3463" . "AZD3463" . . "f" . "AZD4547" . "AZD4547" . . "f" . "AZD4877" . "AZD4877" . . "t" . "cilnidipine" . "cilnidipine" . . "f" . "capivasertib" . "capivasertib" . . "f" . "AZD5582" . "AZD5582" . . "f" . "AZD6495" . "AZD6495" . . "f" . "AZD7325" . "AZD7325" . . "f" . "AZD7762" . "AZD7762" . . "f" . "ML297" . "ML297" . . "f" . "BIX 02565" . "BIX 02565" . . "f" . "AZD8055" . "AZD8055" . . "f" . "AZD8329" . "AZD8329" . . "f" . "AZD8542" . "AZD8542" . . "f" . "sapitinib" . "sapitinib" . . "f" . "Z944" . "Z944" . . "t" . "osimertinib" . "osimertinib" . . "f" . "ML218" . "ML218" . . "f" . "AZ11657312 (salt free)" . "AZ11657312 (salt free)" . . "f" . "TTA-P2" . "TTA-P2" . . "f" . "TTA-A2" . "TTA-A2" . . "f" . "AZ12260493" . "AZ12260493" . . "f" . "AZD8165" . "AZD8165" . . "f" . "AZ12971554" . "AZ12971554" . . "f" . "AZD5904" . "AZD5904" . . "f" . "compound 1a [PMID: 24900311]" . "compound 1a [PMID: 24900311]" . . "f" . "xevinapant" . "xevinapant" . . "f" . "bococizumab" . "bococizumab" . . "f" . "saracatinib" . "saracatinib" . . "f" . "SM-337" . "SM-337" . . "f" . "compound 1 [PMID: 24900608]" . "compound 1 [PMID: 24900608]" . . "f" . "compound 1 [PMID: 25241924]" . "compound 1 [PMID: 25241924]" . . "f" . "GDC-0152" . "GDC-0152" . . "f" . "AZ12419304" . "AZ12419304" . . "f" . "AZ13483342" . "AZ13483342" . . "t" . "rucaparib" . "rucaparib" . . "f" . "HelaTx1" . "HelaTx1" . . "f" . "dendrotoxin-k" . "dendrotoxin-k" . . "f" . "diphenyleneiodonium chloride" . "diphenyleneiodonium chloride" . . "t" . "alectinib" . "alectinib" . . "f" . "ASP-3026" . "ASP-3026" . . "t" . "brigatinib" . "brigatinib" . . "f" . "conopeptide Y-PI1" . "conopeptide Y-PI1" . . "f" . "izorlisib" . "izorlisib" . . "f" . "compound 15 [PMID: 25313322]" . "compound 15 [PMID: 25313322]" . . "f" . "RGB-286638" . "RGB-286638" . . "f" . "daporinad" . "daporinad" . . "f" . "nirogacestat" . "nirogacestat" . . "f" . "inecalcitol" . "inecalcitol" . . "f" . "AT-076" . "AT-076" . . "f" . "emibetuzumab" . "emibetuzumab" . . "f" . "dusigitumab" . "dusigitumab" . . "f" . "amatuximab" . "amatuximab" . . "f" . "tanespimycin" . "tanespimycin" . . "f" . "hsp90α1" . "hsp90α1" . . "f" . "4-arylphthalazin-1(2H)-3,4-Di-F" . "4-arylphthalazin-1(2H)-3,4-Di-F" . . "f" . "(2S,4S)-ketoconazole" . "(2S,4S)-ketoconazole" . . "t" . "florbetaben" . "florbetaben" . . "f" . "[125I]SD6" . "[125I]SD6" . . "f" . "[125I]DIV880" . "[125I]DIV880" . . "f" . "UCM 549" . "UCM 549" . . "f" . "UCM 724" . "UCM 724" . . "f" . "EFPPEA" . "EFPPEA" . . "f" . "2-methoxy-α,β-didehydro-agomelatine" . "2-methoxy-α,β-didehydro-agomelatine" . . "f" . "difluoroagomelatine" . "difluoroagomelatine" . . "f" . "UCM 793" . "UCM 793" . . "f" . "CBOBNEA" . "CBOBNEA" . . "f" . "[125I]S70254" . "[125I]S70254" . . "f" . "CIFEA" . "CIFEA" . . "f" . "isoamyl-agomelatine" . "isoamyl-agomelatine" . . "f" . "2-(indolin-1yl)-melatonin" . "2-(indolin-1yl)-melatonin" . . "f" . "UCM 454" . "UCM 454" . . "f" . "CCG-50014" . "CCG-50014" . . "f" . "CGP13501" . "CGP13501" . . "f" . "mavrilimumab" . "mavrilimumab" . . "f" . "pascolizumab" . "pascolizumab" . . "f" . "cis-JB253" . "cis-JB253" . . "f" . "trans-JB253" . "trans-JB253" . . "f" . "lanabecestat" . "lanabecestat" . . "f" . "AZ3971" . "AZ3971" . . "f" . "alisertib" . "alisertib" . . "f" . "momelotinib" . "momelotinib" . . "t" . "baricitinib" . "baricitinib" . . "t" . "pacritinib" . "pacritinib" . . "f" . "andarine" . "andarine" . . "f" . "taselisib" . "taselisib" . . "t" . "duvelisib" . "duvelisib" . . "t" . "fostamatinib" . "fostamatinib" . . "f" . "galunisertib" . "galunisertib" . . "f" . "compound 2 [PMID: 24793972]" . "compound 2 [PMID: 24793972]" . . "f" . "ME bromodomain inhibitor" . "ME bromodomain inhibitor" . . "f" . "ET bromodomain inhibitor" . "ET bromodomain inhibitor" . . "f" . "compound 1 [PMID: 25408830]" . "compound 1 [PMID: 25408830]" . . "f" . "compound 2 [PMID: 25408830]" . "compound 2 [PMID: 25408830]" . . "f" . "compound 3 [PMID: 25408830]" . "compound 3 [PMID: 25408830]" . . "f" . "RXP470.1" . "RXP470.1" . . "f" . "GSK650394" . "GSK650394" . . "f" . "OTS964" . "OTS964" . . "t" . "radotinib" . "radotinib" . . "f" . "dilmapimod" . "dilmapimod" . . "f" . "orantinib" . "orantinib" . . "f" . "talmapimod" . "talmapimod" . . "f" . "PH-797804" . "PH-797804" . . "f" . "AZD1080" . "AZD1080" . . "f" . "AZD1386" . "AZD1386" . . "f" . "AZD4619" . "AZD4619" . . "f" . "AZD6088" . "AZD6088" . . "f" . "AZD6605" . "AZD6605" . . "f" . "AZD2423" . "AZD2423" . . "f" . "AZD9056" . "AZD9056" . . "f" . "AZD7687" . "AZD7687" . . "f" . "T863" . "T863" . . "f" . "PF-04620110" . "PF-04620110" . . "f" . "compound 1a [PMID: 18573659]" . "compound 1a [PMID: 18573659]" . . "f" . "pradigastat" . "pradigastat" . . "f" . "compound 5B [PMID: 25349648]" . "compound 5B [PMID: 25349648]" . . "f" . "compound 23n [PMID: 24900877]" . "compound 23n [PMID: 24900877]" . . "f" . "rigosertib" . "rigosertib" . . "f" . "SSR128129E" . "SSR128129E" . . "f" . "TL-77" . "TL-77" . . "f" . "losmapimod" . "losmapimod" . . "f" . "E6201" . "E6201" . . "f" . "spebrutinib" . "spebrutinib" . . "f" . "BMS-582949" . "BMS-582949" . . "f" . "compound 5z [PMID: 8410981]" . "compound 5z [PMID: 8410981]" . . "f" . "ilginatinib" . "ilginatinib" . . "f" . "delcasertib" . "delcasertib" . . "f" . "CX614" . "CX614" . . "f" . "DQP-1105" . "DQP-1105" . . "f" . "AZD1236" . "AZD1236" . . "f" . "QNZ 46" . "QNZ 46" . . "t" . "sacubitril" . "sacubitril" . . "f" . "sacubitrilat" . "sacubitrilat" . . "f" . "B3C" . "B3C" . . "f" . "L873724" . "L873724" . . "f" . "balicatib" . "balicatib" . . "f" . "relacatib" . "relacatib" . . "f" . "compound 46 [PMID: 16451062]" . "compound 46 [PMID: 16451062]" . . "t" . "gabexate" . "gabexate" . . "f" . "compound 30 [PMID: 23414845]" . "compound 30 [PMID: 23414845]" . . "f" . "bisphenol A" . "bisphenol A" . . "f" . "MLN-4760" . "MLN-4760" . . "f" . "XNT [PMID: 18391097]" . "XNT [PMID: 18391097]" . . "f" . "compound 3 [PMID: 24900526]" . "compound 3 [PMID: 24900526]" . . "f" . "compound 5 [PMID: 24900526]" . "compound 5 [PMID: 24900526]" . . "f" . "compound 1 [PMID: 24900526]" . "compound 1 [PMID: 24900526]" . . "f" . "telaprevir" . "telaprevir" . . "f" . "pimasertib" . "pimasertib" . . "f" . "picropodophyllin" . "picropodophyllin" . . "f" . "roniciclib" . "roniciclib" . . "t" . "copanlisib" . "copanlisib" . . "f" . "SR9011" . "SR9011" . . "t" . "boceprevir" . "boceprevir" . . "t" . "infigratinib" . "infigratinib" . . "f" . "buparlisib" . "buparlisib" . . "f" . "BMS-690514" . "BMS-690514" . . "t" . "capmatinib" . "capmatinib" . . "f" . "agerafenib" . "agerafenib" . . "f" . "CP-547632" . "CP-547632" . . "f" . "crenolanib" . "crenolanib" . . "f" . "CP-724714" . "CP-724714" . . "t" . "filgotinib" . "filgotinib" . . "f" . "ridaforolimus" . "ridaforolimus" . . "f" . "ENMD-2076" . "ENMD-2076" . . "f" . "famitinib" . "famitinib" . . "f" . "ipatasertib" . "ipatasertib" . . "f" . "BV-6" . "BV-6" . . "f" . "apitolisib" . "apitolisib" . . "f" . "entospletinib" . "entospletinib" . . "f" . "afuresertib" . "afuresertib" . . "f" . "compound 8a [PMID: 22861813]" . "compound 8a [PMID: 22861813]" . . "f" . "example 166 [WO2014154727]" . "example 166 [WO2014154727]" . . "f" . "lisinopril-tryptophan" . "lisinopril-tryptophan" . . "f" . "RXP-407" . "RXP-407" . . "f" . "USP7/USP47 inhibitor" . "USP7/USP47 inhibitor" . . "f" . "PL37" . "PL37" . . "f" . "BPTI-K15R/R17G" . "BPTI-K15R/R17G" . . "f" . "ML323" . "ML323" . . "t" . "cyclopenthiazide" . "cyclopenthiazide" . . "f" . "KU-60019" . "KU-60019" . . "t" . "xipamide" . "xipamide" . . "t" . "dapoxetine" . "dapoxetine" . . "f" . "uprosertib" . "uprosertib" . . "f" . "poziotinib" . "poziotinib" . . "f" . "VE-821" . "VE-821" . . "f" . "SR9009" . "SR9009" . . "t" . "sargramostim" . "sargramostim" . . "f" . "bafetinib" . "bafetinib" . . "f" . "7-hydroxystaurosporine" . "7-hydroxystaurosporine" . . "t" . "encorafenib" . "encorafenib" . . "f" . "compound 30 [PMID: 16455256]" . "compound 30 [PMID: 16455256]" . . "f" . "gandotinib" . "gandotinib" . . "f" . "defactinib" . "defactinib" . . "f" . "HNHA" . "HNHA" . . "f" . "LCL161" . "LCL161" . . "f" . "PFI-3" . "PFI-3" . . "f" . "santacruzamate A" . "santacruzamate A" . . "f" . "ESI-09" . "ESI-09" . . "f" . "onvansertib" . "onvansertib" . . "f" . "GNE-9605" . "GNE-9605" . . "f" . "sabutoclax" . "sabutoclax" . . "f" . "AZ13102909" . "AZ13102909" . . "t" . "binimetinib" . "binimetinib" . . "f" . "(hydroxymethylphenyl)agomelatine" . "(hydroxymethylphenyl)agomelatine" . . "f" . "UCM 765" . "UCM 765" . . "f" . "BOMPPA" . "BOMPPA" . . "f" . "HAS-NMU" . "HAS-NMU" . . "f" . "compound 8d [PMID: 24999562]" . "compound 8d [PMID: 24999562]" . . "f" . "compound 6b [PMID: 24999562]" . "compound 6b [PMID: 24999562]" . . "f" . "PEG40-NMU" . "PEG40-NMU" . . "f" . "RTI-118" . "RTI-118" . . "f" . "apelin receptor early endogenous ligand" . "apelin receptor early endogenous ligand" . . "f" . "apelin receptor early endogenous ligand" . "apelin receptor early endogenous ligand" . . "f" . "ZSTK474" . "ZSTK474" . . "f" . "amuvatinib" . "amuvatinib" . . "f" . "sapanisertib" . "sapanisertib" . . "f" . "riviciclib" . "riviciclib" . . "f" . "mirdametinib" . "mirdametinib" . . "f" . "PF-04691502" . "PF-04691502" . . "f" . "danusertib" . "danusertib" . . "f" . "milciclib" . "milciclib" . . "f" . "GSK2256098" . "GSK2256098" . . "f" . "gedatolisib" . "gedatolisib" . . "f" . "torin 1" . "torin 1" . . "f" . "sonolisib" . "sonolisib" . . "f" . "refametinib" . "refametinib" . . "f" . "MK-8776" . "MK-8776" . . "f" . "tesevatinib" . "tesevatinib" . . "f" . "OSU-03012" . "OSU-03012" . . "f" . "MK-2206" . "MK-2206" . . "f" . "sotrastaurin" . "sotrastaurin" . . "f" . "volasertib" . "volasertib" . . "f" . "tivantinib" . "tivantinib" . . "f" . "KH-CB19" . "KH-CB19" . . "f" . "AT-9283" . "AT-9283" . . "f" . "dactolisib" . "dactolisib" . . "f" . "BGT-226" . "BGT-226" . . "f" . "BMS-754807" . "BMS-754807" . . "f" . "SCH772984" . "SCH772984" . . "f" . "BMS-777607" . "BMS-777607" . . "f" . "BMS-911543" . "BMS-911543" . . "t" . "alpelisib" . "alpelisib" . . "f" . "golvatinib" . "golvatinib" . . "f" . "cobalt protoporphyrin IX" . "cobalt protoporphyrin IX" . . "t" . "tirbanibulin" . "tirbanibulin" . . "f" . "LY2090314" . "LY2090314" . . "f" . "ralimetinib" . "ralimetinib" . . "f" . "rabusertib" . "rabusertib" . . "f" . "CP-673451" . "CP-673451" . . "f" . "ME-344" . "ME-344" . . "f" . "MK-2461" . "MK-2461" . . "f" . "pilaralisib" . "pilaralisib" . . "f" . "voxtalisib" . "voxtalisib" . . "f" . "LY2109761" . "LY2109761" . . "f" . "rociletinib" . "rociletinib" . . "f" . "GSK2636771" . "GSK2636771" . . "f" . "BMS-908662" . "BMS-908662" . . "f" . "AKN-028" . "AKN-028" . . "f" . "BIBF-1202" . "BIBF-1202" . . "f" . "brivanib alinate" . "brivanib alinate" . . "f" . "depatuxizumab mafodotin" . "depatuxizumab mafodotin" . . "f" . "XL019" . "XL019" . . "f" . "WP1066" . "WP1066" . . "f" . "XL388" . "XL388" . . "f" . "zotarolimus" . "zotarolimus" . . "f" . "BPH-675" . "BPH-675" . . "f" . "BPH-629" . "BPH-629" . . "f" . "BPH-608" . "BPH-608" . . "f" . "BPH-676" . "BPH-676" . . "f" . "INSL3 [A(5-26):B(7-27)]" . "INSL3 [A(5-26):B(7-27)]" . . "t" . "dinutuximab" . "dinutuximab" . . "f" . "isoferulic acid" . "isoferulic acid" . . "f" . "mitumomab" . "mitumomab" . . "f" . "lintuzumab" . "lintuzumab" . . "t" . "edrecolomab" . "edrecolomab" . . "f" . "furin inhibitor peptide" . "furin inhibitor peptide" . . "t" . "durvalumab" . "durvalumab" . . "f" . "rilotumumab" . "rilotumumab" . . "f" . "girentuximab" . "girentuximab" . . "t" . "nimotuzumab" . "nimotuzumab" . . "f" . "compound 14 [PMID: 19831390]" . "compound 14 [PMID: 19831390]" . . "f" . "sirukumab" . "sirukumab" . . "t" . "atezolizumab" . "atezolizumab" . . "f" . "compound 2 [Dreyer et al., 1991]" . "compound 2 [Dreyer et al., 1991]" . . "t" . "inebilizumab" . "inebilizumab" . . "f" . "compound 3 [Dreyer et al., 1991]" . "compound 3 [Dreyer et al., 1991]" . . "f" . "analog 3 [Vlattas et al., 1996]" . "analog 3 [Vlattas et al., 1996]" . . "f" . "PK 11195" . "PK 11195" . . "t" . "racotumomab" . "racotumomab" . . "f" . "6-fluoromevalonate pyrophosphate" . "6-fluoromevalonate pyrophosphate" . . "f" . "SQ-109" . "SQ-109" . . "t" . "guselkumab" . "guselkumab" . . "t" . "sarilumab" . "sarilumab" . . "f" . "emapunil" . "emapunil" . . "f" . "tabalumab" . "tabalumab" . . "t" . "tralokinumab" . "tralokinumab" . . "f" . "bavituximab" . "bavituximab" . . "f" . "berzosertib" . "berzosertib" . . "f" . "S‐Y048" . "S‐Y048" . . "f" . "BX-795" . "BX-795" . . "f" . "BX-912" . "BX-912" . . "f" . "GSK2334470" . "GSK2334470" . . "f" . "PHT-427" . "PHT-427" . . "f" . "laduviglusib" . "laduviglusib" . . "f" . "NU-7441" . "NU-7441" . . "f" . "KU-0060648" . "KU-0060648" . . "f" . "PIK-75" . "PIK-75" . . "f" . "PP121" . "PP121" . . "f" . "SB 216763" . "SB 216763" . . "f" . "CHIR-98014" . "CHIR-98014" . . "f" . "IM-12" . "IM-12" . . "f" . "1-azakenpaullone" . "1-azakenpaullone" . . "f" . "SB-415286" . "SB-415286" . . "f" . "K-Ras(G12C) inhibitor 12" . "K-Ras(G12C) inhibitor 12" . . "f" . "K-Ras(G12C) inhibitor 6" . "K-Ras(G12C) inhibitor 6" . . "f" . "K-Ras(G12C) inhibitor 9" . "K-Ras(G12C) inhibitor 9" . . "f" . "6H05" . "6H05" . . "t" . "lonafarnib" . "lonafarnib" . . "f" . "zinc protoporphyrin IX" . "zinc protoporphyrin IX" . . "f" . "tipifarnib" . "tipifarnib" . . "f" . "BMS-214662" . "BMS-214662" . . "f" . "AZD3409" . "AZD3409" . . "f" . "LB42908" . "LB42908" . . "f" . "CCG-203920" . "CCG-203920" . . "f" . "LB42708" . "LB42708" . . "f" . "L-739,750" . "L-739,750" . . "f" . "pemtumomab" . "pemtumomab" . . "t" . "amifampridine" . "amifampridine" . . "f" . "RGS4 inhibitor 11b" . "RGS4 inhibitor 11b" . . "f" . "PF-477736" . "PF-477736" . . "f" . "CCT241533" . "CCT241533" . . "f" . "PF-3644022" . "PF-3644022" . . "f" . "OTSSP167" . "OTSSP167" . . "f" . "WZ4003" . "WZ4003" . . "f" . "CRT 0066101" . "CRT 0066101" . . "f" . "fluorobexarotene" . "fluorobexarotene" . . "f" . "HG-9-91-01" . "HG-9-91-01" . . "f" . "PF-4800567" . "PF-4800567" . . "f" . "BMS-265246" . "BMS-265246" . . "f" . "THZ1" . "THZ1" . . "f" . "NVP-2" . "NVP-2" . . "f" . "PF-06447475" . "PF-06447475" . . "f" . "XMD8-92" . "XMD8-92" . . "f" . "JNK-IN-8" . "JNK-IN-8" . . "f" . "AZD6482" . "AZD6482" . . "f" . "AMG-900" . "AMG-900" . . "f" . "MK-5108" . "MK-5108" . . "f" . "MRT67307" . "MRT67307" . . "f" . "BIX02188" . "BIX02188" . . "f" . "GNF-5" . "GNF-5" . . "f" . "CGI1746" . "CGI1746" . . "f" . "NVP-AEW541" . "NVP-AEW541" . . "f" . "WH-4-023" . "WH-4-023" . . "f" . "PA452" . "PA452" . . "f" . "P505-15" . "P505-15" . . "f" . "GNF-5837" . "GNF-5837" . . "f" . "GW5074" . "GW5074" . . "f" . "GNE-7915" . "GNE-7915" . . "f" . "NG-25" . "NG-25" . . "f" . "CD2314" . "CD2314" . . "f" . "MSC2032964A" . "MSC2032964A" . . "f" . "5Z-7-oxozeaenol" . "5Z-7-oxozeaenol" . . "t" . "secukinumab" . "secukinumab" . . "f" . "HX 531" . "HX 531" . . "f" . "IRAK4 inhibitor 4b [PMID: 18474425]" . "IRAK4 inhibitor 4b [PMID: 18474425]" . . "f" . "IRAK4 inhibitor rac-45 [PMID: 18501603]" . "IRAK4 inhibitor rac-45 [PMID: 18501603]" . . "f" . "compound 25 [PMID: 20855207]" . "compound 25 [PMID: 20855207]" . . "f" . "ND-2110" . "ND-2110" . . "f" . "ND-2158" . "ND-2158" . . "f" . "compound 1 [WO2012007375]" . "compound 1 [WO2012007375]" . . "f" . "compound 7 [WO2012007375]" . "compound 7 [WO2012007375]" . . "f" . "bimagrumab" . "bimagrumab" . . "f" . "compound 9b [PMID: 18986805]" . "compound 9b [PMID: 18986805]" . . "f" . "yttrium (90Y) clivatuzumab tetraxetan" . "yttrium (90Y) clivatuzumab tetraxetan" . . "f" . "epratuzumab" . "epratuzumab" . . "f" . "bermekimab" . "bermekimab" . . "t" . "necitumumab" . "necitumumab" . . "f" . "BAY-598" . "BAY-598" . . "t" . "reslizumab" . "reslizumab" . . "t" . "romosozumab" . "romosozumab" . . "t" . "tildrakizumab" . "tildrakizumab" . . "f" . "AG14361" . "AG14361" . . "f" . "AC710" . "AC710" . . "f" . "tasquinimod" . "tasquinimod" . . "f" . "AGK2" . "AGK2" . . "f" . "selisistat" . "selisistat" . . "f" . "splitomicin" . "splitomicin" . . "f" . "compound 16 [PMID: 18945615]" . "compound 16 [PMID: 18945615]" . . "f" . "remodelin" . "remodelin" . . "f" . "MI-3" . "MI-3" . . "f" . "LY2874455" . "LY2874455" . . "f" . "UMI-77" . "UMI-77" . . "f" . "URMC-099" . "URMC-099" . . "f" . "vactosertib" . "vactosertib" . . "f" . "denfivontinib" . "denfivontinib" . . "f" . "compound 2-1-1 [PMID: 24900824]" . "compound 2-1-1 [PMID: 24900824]" . . "f" . "compound 2-3-2 [PMID: 24900824]" . "compound 2-3-2 [PMID: 24900824]" . . "f" . "compound 2-3-1 [PMID: 24900824]" . "compound 2-3-1 [PMID: 24900824]" . . "f" . "compound 2-13-1 [PMID: 24900824]" . "compound 2-13-1 [PMID: 24900824]" . . "f" . "compound 20 [PMID: 23489211]" . "compound 20 [PMID: 23489211]" . . "f" . "XL413" . "XL413" . . "f" . "compound 89S [PMID: 19115845]" . "compound 89S [PMID: 19115845]" . . "f" . "compound 2 [PMID: 22560567]" . "compound 2 [PMID: 22560567]" . . "f" . "compound 22 [PMID: 21823616]" . "compound 22 [PMID: 21823616]" . . "f" . "compound 31 [PMID: 22902653]" . "compound 31 [PMID: 22902653]" . . "f" . "compound 30 [PMID: 22902653]" . "compound 30 [PMID: 22902653]" . . "f" . "compound 35 [PMID: 22902653]" . "compound 35 [PMID: 22902653]" . . "f" . "compound 13d [PMID: 23639540]" . "compound 13d [PMID: 23639540]" . . "f" . "ML347" . "ML347" . . "f" . "compound 25 [PMID: 17935989]" . "compound 25 [PMID: 17935989]" . . "f" . "compound 1d [PMID: 21493067]" . "compound 1d [PMID: 21493067]" . . "f" . "compound 12 [PMID: 22521646]" . "compound 12 [PMID: 22521646]" . . "f" . "compound 46 [PMID: 25268943]" . "compound 46 [PMID: 25268943]" . . "f" . "silmitasertib" . "silmitasertib" . . "f" . "compound 3b [PMID: 23454515]" . "compound 3b [PMID: 23454515]" . . "f" . "compound 1a [PMID: 24900749]" . "compound 1a [PMID: 24900749]" . . "f" . "compound 34 [PMID: 24749861]" . "compound 34 [PMID: 24749861]" . . "f" . "SB-747651A" . "SB-747651A" . . "f" . "compound 24 [PMID: 15955699]" . "compound 24 [PMID: 15955699]" . . "f" . "compound 2 [PMID: 15546730]" . "compound 2 [PMID: 15546730]" . . "f" . "compound 8e [PMID: 24432909]" . "compound 8e [PMID: 24432909]" . . "f" . "compound 2c [PMID: 24900538]" . "compound 2c [PMID: 24900538]" . . "f" . "compound 25b [PMID: 22564207]" . "compound 25b [PMID: 22564207]" . . "f" . "compound 2c [PMID: 22115617]" . "compound 2c [PMID: 22115617]" . . "f" . "compound 3 [PMID: 19097791]" . "compound 3 [PMID: 19097791]" . . "f" . "compound 66 [PMID: 19788238]" . "compound 66 [PMID: 19788238]" . . "f" . "balanol" . "balanol" . . "f" . "compound 1o [PMID: 24210504]" . "compound 1o [PMID: 24210504]" . . "f" . "compound 13r [PMID: 23639540]" . "compound 13r [PMID: 23639540]" . . "f" . "compound 72 [WO2013026806]" . "compound 72 [WO2013026806]" . . "f" . "compound 38 [PMID: 24915291]" . "compound 38 [PMID: 24915291]" . . "f" . "compound 23 [PMID: 17600705]" . "compound 23 [PMID: 17600705]" . . "f" . "compound 24 [PMID: 23441572]" . "compound 24 [PMID: 23441572]" . . "f" . "compound 31 [PMID: 24915291]" . "compound 31 [PMID: 24915291]" . . "f" . "compound 2 [PMID: 21627121]" . "compound 2 [PMID: 21627121]" . . "f" . "GSK579289A" . "GSK579289A" . . "f" . "RKI-1447" . "RKI-1447" . . "f" . "compound 22m [PMID: 19831390]" . "compound 22m [PMID: 19831390]" . . "f" . "compound 14 [PMID: 24900428]" . "compound 14 [PMID: 24900428]" . . "f" . "compound 13a [PMID: 23639540]" . "compound 13a [PMID: 23639540]" . . "f" . "compound 20 [PMID: 22136433]" . "compound 20 [PMID: 22136433]" . . "f" . "compound 15b [PMID: 18334293]" . "compound 15b [PMID: 18334293]" . . "f" . "compound 27 [PMID: 18337095]" . "compound 27 [PMID: 18337095]" . . "f" . "INSL5 analogue 13" . "INSL5 analogue 13" . . "f" . "compound 17 [PMID: 23642479]" . "compound 17 [PMID: 23642479]" . . "f" . "ML315" . "ML315" . . "f" . "compound 33 [PMID: 19364658]" . "compound 33 [PMID: 19364658]" . . "f" . "compound 7k [PMID: 23521020]" . "compound 7k [PMID: 23521020]" . . "f" . "compound 68 [PMID: 24900699]" . "compound 68 [PMID: 24900699]" . . "f" . "compound 19a [PMID: 21855335]" . "compound 19a [PMID: 21855335]" . . "f" . "leucettine L41" . "leucettine L41" . . "f" . "compound 27 [PMID: 19854648]" . "compound 27 [PMID: 19854648]" . . "f" . "compound A127 [WO2013110309]" . "compound A127 [WO2013110309]" . . "f" . "compound 8h [PMID: 21561767]" . "compound 8h [PMID: 21561767]" . . "f" . "compound 5b [PMID: 24900464]" . "compound 5b [PMID: 24900464]" . . "f" . "compound 7 [PMID: 22464456]" . "compound 7 [PMID: 22464456]" . . "f" . "CEP-1347" . "CEP-1347" . . "f" . "compound 31 [PMID: 23374866]" . "compound 31 [PMID: 23374866]" . . "f" . "compound 8h [PMID: 22765894]" . "compound 8h [PMID: 22765894]" . . "f" . "BS-194" . "BS-194" . . "f" . "compound 16 [PMID: 17480064]" . "compound 16 [PMID: 17480064]" . . "f" . "[3H]-LKP" . "[3H]-LKP" . . "f" . "PF-03715455" . "PF-03715455" . . "f" . "compound 31 [PMID: 20936789]" . "compound 31 [PMID: 20936789]" . . "f" . "compound 1 [PMID: 20005102]" . "compound 1 [PMID: 20005102]" . . "t" . "flibanserin" . "flibanserin" . . "f" . "PD166285" . "PD166285" . . "f" . "compound 32 [PMID: 20471253]" . "compound 32 [PMID: 20471253]" . . "f" . "compound 21 [PMID: 24900635]" . "compound 21 [PMID: 24900635]" . . "f" . "compound 13 [PMID: 15925511]" . "compound 13 [PMID: 15925511]" . . "f" . "CEP-11981" . "CEP-11981" . . "f" . "compound 1 [PMID: 21742770]" . "compound 1 [PMID: 21742770]" . . "f" . "compound 18 [PMID: 20873740]" . "compound 18 [PMID: 20873740]" . . "f" . "compound 5 [PMID: 23232060]" . "compound 5 [PMID: 23232060]" . . "f" . "PWT1-NPS" . "PWT1-NPS" . . "f" . "compound 30 [PMID: 17280833]" . "compound 30 [PMID: 17280833]" . . "f" . "compound 15b [PMID: 16539403]" . "compound 15b [PMID: 16539403]" . . "f" . "compound 8 [PMID: 24044867]" . "compound 8 [PMID: 24044867]" . . "f" . "compound 17d [PMID: 23099093]" . "compound 17d [PMID: 23099093]" . . "f" . "compound 11d [DOI: 10.1039/c0md00194e]" . "compound 11d [DOI: 10.1039/c0md00194e]" . . "f" . "saridegib" . "saridegib" . . "f" . "compound 27 [PMID: 21123062]" . "compound 27 [PMID: 21123062]" . . "t" . "sonidegib" . "sonidegib" . . "f" . "TAK-441" . "TAK-441" . . "t" . "glasdegib" . "glasdegib" . . "f" . "BMS-833923" . "BMS-833923" . . "f" . "Ro-0505124" . "Ro-0505124" . . "f" . "compound 77 [PMID: 24793884]" . "compound 77 [PMID: 24793884]" . . "f" . "compound 1 [PMID: 24793884]" . "compound 1 [PMID: 24793884]" . . "f" . "A-443654" . "A-443654" . . "f" . "compound 22 [PMID: 20462760]" . "compound 22 [PMID: 20462760]" . . "f" . "compound 5m [PMID: 20483621]" . "compound 5m [PMID: 20483621]" . . "f" . "compound 5g [PMID: 20483621]" . "compound 5g [PMID: 20483621]" . . "f" . "compound 5n [PMID: 20483621]" . "compound 5n [PMID: 20483621]" . . "f" . "compound 35 [PMID: 20684608]" . "compound 35 [PMID: 20684608]" . . "f" . "Pam2CSK4" . "Pam2CSK4" . . "f" . "compound 4g [PMID: 21316219]" . "compound 4g [PMID: 21316219]" . . "f" . "compound 66 [PMID: 21802293]" . "compound 66 [PMID: 21802293]" . . "f" . "compound R-16 [PMID: 21967808]" . "compound R-16 [PMID: 21967808]" . . "f" . "compound 14k [PMID: 21982499]" . "compound 14k [PMID: 21982499]" . . "f" . "CCT244747" . "CCT244747" . . "f" . "SB-431542" . "SB-431542" . . "f" . "compound 15 [PMID: 24900237]" . "compound 15 [PMID: 24900237]" . . "f" . "epacadostat" . "epacadostat" . . "f" . "beta-carboline" . "beta-carboline" . . "f" . "tryptanthrin" . "tryptanthrin" . . "f" . "1-methyl-L-tryptophan" . "1-methyl-L-tryptophan" . . "f" . "indoximod" . "indoximod" . . "f" . "amg-1" . "amg-1" . . "f" . "MCC950" . "MCC950" . . "f" . "IOX2" . "IOX2" . . "f" . "IOX1" . "IOX1" . . "f" . "OICR-9429" . "OICR-9429" . . "f" . "UNC1215" . "UNC1215" . . "f" . "GSK2801" . "GSK2801" . . "f" . "bromosporine" . "bromosporine" . . "f" . "(R)-PFI-2" . "(R)-PFI-2" . . "f" . "I-CBP112" . "I-CBP112" . . "f" . "UNC1999" . "UNC1999" . . "f" . "A-366" . "A-366" . . "f" . "LLY-507" . "LLY-507" . . "f" . "GSK343" . "GSK343" . . "f" . "GSK-LSD1" . "GSK-LSD1" . . "f" . "PI-3065" . "PI-3065" . . "f" . "HS-173" . "HS-173" . . "f" . "TGX-221" . "TGX-221" . . "f" . "LY2584702" . "LY2584702" . . "f" . "RN486" . "RN486" . . "f" . "sotuletinib" . "sotuletinib" . . "f" . "labetuzumab" . "labetuzumab" . . "f" . "labetuzumab govitecan" . "labetuzumab govitecan" . . "t" . "sacituzumab govitecan" . "sacituzumab govitecan" . . "f" . "ozanezumab" . "ozanezumab" . . "f" . "dezamizumab" . "dezamizumab" . . "f" . "CPHPC" . "CPHPC" . . "f" . "citibrasine" . "citibrasine" . . "f" . "sifalimumab" . "sifalimumab" . . "t" . "anifrolumab" . "anifrolumab" . . "f" . "CM-352" . "CM-352" . . "f" . "avosentan" . "avosentan" . . "f" . "compound 48 [PMID: 25815140]" . "compound 48 [PMID: 25815140]" . . "f" . "(S)-DRF-1042" . "(S)-DRF-1042" . . "f" . "compound 6e [PMID: 25614116 ]" . "compound 6e [PMID: 25614116 ]" . . "f" . "pr1 nanopeptide" . "pr1 nanopeptide" . . "f" . "fresolimumab" . "fresolimumab" . . "f" . "abagovomab" . "abagovomab" . . "t" . "inotuzumab ozogamicin" . "inotuzumab ozogamicin" . . "f" . "milatuzumab" . "milatuzumab" . . "f" . "veltuzumab" . "veltuzumab" . . "f" . "oblimersen" . "oblimersen" . . "f" . "cenersen" . "cenersen" . . "f" . "arimoclomol" . "arimoclomol" . . "f" . "forodesine" . "forodesine" . . "f" . "imexon" . "imexon" . . "f" . "compound 1 [PMID: 34917254]" . "compound 1 [PMID: 34917254]" . . "t" . "mifamurtide" . "mifamurtide" . . "t" . "niraparib" . "niraparib" . . "t" . "palovarotene" . "palovarotene" . . "f" . "mongersen" . "mongersen" . . "f" . "compound 20 [PMID: 23692593]" . "compound 20 [PMID: 23692593]" . . "f" . "plevitrexed" . "plevitrexed" . . "f" . "talampanel" . "talampanel" . . "f" . "tirasemtiv" . "tirasemtiv" . . "t" . "treosulfan" . "treosulfan" . . "f" . "PSB-10211" . "PSB-10211" . . "t" . "unoprostone isopropyl" . "unoprostone isopropyl" . . "f" . "example 7 [US8664233]" . "example 7 [US8664233]" . . "f" . "CPP-115" . "CPP-115" . . "f" . "S(+)-apomorphine" . "S(+)-apomorphine" . . "t" . "tramadol" . "tramadol" . . "f" . "EPZ015666" . "EPZ015666" . . "f" . "cmp5 [PMID: 25742700]" . "cmp5 [PMID: 25742700]" . . "f" . "AAE-M-PBP-amine" . "AAE-M-PBP-amine" . . "t" . "entrectinib" . "entrectinib" . . "f" . "veldoreotide" . "veldoreotide" . . "t" . "safinamide" . "safinamide" . . "f" . "AM7" . "AM7" . . "t" . "tepotinib" . "tepotinib" . . "f" . "lampalizumab" . "lampalizumab" . . "f" . "PF-06454589" . "PF-06454589" . . "f" . "example 373 [WO2012093101]" . "example 373 [WO2012093101]" . . "f" . "compound 3 [PMID: 23849879]" . "compound 3 [PMID: 23849879]" . . "f" . "seribantumab" . "seribantumab" . . "t" . "idarucizumab" . "idarucizumab" . . "t" . "abaloparatide" . "abaloparatide" . . "f" . "aclerastide" . "aclerastide" . . "f" . "compound 1 [Xiao et al. 2014]" . "compound 1 [Xiao et al. 2014]" . . "f" . "compound 1 [PMID: 25719566]" . "compound 1 [PMID: 25719566]" . . "f" . "compound 8a [PMID: 24900283]" . "compound 8a [PMID: 24900283]" . . "f" . "mirogabalin" . "mirogabalin" . . "f" . "compound 7d [PMID: 25703523]" . "compound 7d [PMID: 25703523]" . . "t" . "tucidinostat" . "tucidinostat" . . "f" . "compound 7 [PMID: 25719566]" . "compound 7 [PMID: 25719566]" . . "f" . "rivipansel" . "rivipansel" . . "f" . "dasotraline" . "dasotraline" . . "f" . "compound 22e [PMID: 20167483]" . "compound 22e [PMID: 20167483]" . . "f" . "decernotinib" . "decernotinib" . . "t" . "osilodrostat" . "osilodrostat" . . "t" . "fadrozole" . "fadrozole" . . "t" . "sotagliflozin" . "sotagliflozin" . . "f" . "ML-18" . "ML-18" . . "t" . "talazoparib" . "talazoparib" . . "f" . "esuberaprost" . "esuberaprost" . . "t" . "peficitinib" . "peficitinib" . . "t" . "polmacoxib" . "polmacoxib" . . "f" . "azeliragon" . "azeliragon" . . "t" . "venetoclax" . "venetoclax" . . "f" . "navitoclax" . "navitoclax" . . "f" . "ABT-737" . "ABT-737" . . "f" . "compound 14 [PMID: 25050158]" . "compound 14 [PMID: 25050158]" . . "f" . "ONO-AE1-437" . "ONO-AE1-437" . . "t" . "bempedoic acid" . "bempedoic acid" . . "f" . "ML290" . "ML290" . . "f" . "monalizumab" . "monalizumab" . . "f" . "ZD-7155" . "ZD-7155" . . "t" . "aducanumab" . "aducanumab" . . "f" . "minimised relaxin-3 analogue 3" . "minimised relaxin-3 analogue 3" . . "t" . "IFN-α2b (recombinant human)" . "IFN-α2b (recombinant human)" . . "t" . "IFN-β1a (recombinant human)" . "IFN-β1a (recombinant human)" . . "t" . "IFN-β1b (recombinant human)" . "IFN-β1b (recombinant human)" . . "t" . "IFN-γ1b (human recombinant)" . "IFN-γ1b (human recombinant)" . . "f" . "europium-labelled R3(B1-22R)" . "europium-labelled R3(B1-22R)" . . "f" . "135PAM1" . "135PAM1" . . "f" . "PBD150" . "PBD150" . . "f" . "donanemab" . "donanemab" . . "f" . "GSK1070916" . "GSK1070916" . . "f" . "birabresib" . "birabresib" . . "f" . "1G244" . "1G244" . . "f" . "iniparib" . "iniparib" . . "t" . "elotuzumab" . "elotuzumab" . . "t" . "elagolix" . "elagolix" . . "f" . "vobarilizumab" . "vobarilizumab" . . "f" . "EPZ005687" . "EPZ005687" . . "f" . "itacitinib" . "itacitinib" . . "f" . "pracinostat" . "pracinostat" . . "f" . "abexinostat" . "abexinostat" . . "f" . "tacedinaline" . "tacedinaline" . . "f" . "ML321" . "ML321" . . "f" . "MLS1547" . "MLS1547" . . "f" . "(-)-stepholidine" . "(-)-stepholidine" . . "f" . "abicipar pegol" . "abicipar pegol" . . "f" . "(-)-englerin A" . "(-)-englerin A" . . "f" . "vacquinol-1" . "vacquinol-1" . . "f" . "olodanrigan" . "olodanrigan" . . "t" . "etelcalcetide" . "etelcalcetide" . . "t" . "ertugliflozin" . "ertugliflozin" . . "f" . "PF-00489791" . "PF-00489791" . . "f" . "I-BRD9" . "I-BRD9" . . "t" . "tafamidis" . "tafamidis" . . "f" . "SQ007-5" . "SQ007-5" . . "f" . "Ac-RHYPLWR" . "Ac-RHYPLWR" . . "f" . "compound 21 [PMID: 25259874]" . "compound 21 [PMID: 25259874]" . . "f" . "VS-5584" . "VS-5584" . . "f" . "bimiralisib" . "bimiralisib" . . "f" . "compound 4 [PMID: 25259874]" . "compound 4 [PMID: 25259874]" . . "f" . "LTK-14" . "LTK-14" . . "f" . "chaetocin" . "chaetocin" . . "f" . "UNC0321" . "UNC0321" . . "f" . "ORY-1001" . "ORY-1001" . . "f" . "CHR-3996" . "CHR-3996" . . "f" . "compound A [PMID 24997608]" . "compound A [PMID 24997608]" . . "f" . "DZNep" . "DZNep" . . "f" . "MB-3" . "MB-3" . . "t" . "mithramycin" . "mithramycin" . . "f" . "DS-437" . "DS-437" . . "f" . "compound 34 [PMID: 25974391]" . "compound 34 [PMID: 25974391]" . . "f" . "compound 13 [PMID: 23412139]" . "compound 13 [PMID: 23412139]" . . "f" . "anacetrapib" . "anacetrapib" . . "f" . "evacetrapib" . "evacetrapib" . . "f" . "omarigliptin" . "omarigliptin" . . "f" . "WRC-0571" . "WRC-0571" . . "f" . "retosiban" . "retosiban" . . "t" . "polatuzumab vedotin" . "polatuzumab vedotin" . . "f" . "lifastuzumab vedotin" . "lifastuzumab vedotin" . . "f" . "codrituzumab" . "codrituzumab" . . "f" . "UK-432,097" . "UK-432,097" . . "f" . "etrolizumab" . "etrolizumab" . . "f" . "desulfated gastrin-17" . "desulfated gastrin-17" . . "f" . "desulfated gastrin-34" . "desulfated gastrin-34" . . "f" . "desulfated gastrin-71" . "desulfated gastrin-71" . . "f" . "gastrin-14" . "gastrin-14" . . "f" . "simtuzumab" . "simtuzumab" . . "f" . "eleclazine" . "eleclazine" . . "f" . "MRS5698" . "MRS5698" . . "f" . "5-BODMT" . "5-BODMT" . . "f" . "nacubactam" . "nacubactam" . . "f" . "trebananib" . "trebananib" . . "f" . "tanezumab" . "tanezumab" . . "f" . "LY2928057" . "LY2928057" . . "f" . "GLPG0974" . "GLPG0974" . . "f" . "AS-19" . "AS-19" . . "t" . "pimavanserin" . "pimavanserin" . . "f" . "BF-1" . "BF-1" . . "f" . "velusetrag" . "velusetrag" . . "f" . "TD-8954" . "TD-8954" . . "f" . "LP-12" . "LP-12" . . "f" . "relenopride" . "relenopride" . . "f" . "EMD-386088" . "EMD-386088" . . "f" . "WAY-208466" . "WAY-208466" . . "f" . "[11C]GSK215083" . "[11C]GSK215083" . . "f" . "DR-4004" . "DR-4004" . . "f" . "JNJ-18038683" . "JNJ-18038683" . . "f" . "compound 101 [PMID: 21596927]" . "compound 101 [PMID: 21596927]" . . "f" . "BED" . "BED" . . "f" . "ABT-670" . "ABT-670" . . "f" . "ML398" . "ML398" . . "f" . "A-381393" . "A-381393" . . "t" . "remimazolam" . "remimazolam" . . "f" . "SKF-83959" . "SKF-83959" . . "f" . "amelubant" . "amelubant" . . "f" . "ISA-2011B" . "ISA-2011B" . . "f" . "beloranib" . "beloranib" . . "f" . "ularitide" . "ularitide" . . "f" . "2-Cl-ADP(α-BH3)" . "2-Cl-ADP(α-BH3)" . . "f" . "sparsentan" . "sparsentan" . . "t" . "tenapanor" . "tenapanor" . . "t" . "ixazomib" . "ixazomib" . . "f" . "demcizumab" . "demcizumab" . . "f" . "delta like canonical Notch ligand 4" . "delta like canonical Notch ligand 4" . . "f" . "droxinostat" . "droxinostat" . . "f" . "compound 31 [PMID: 24809814]" . "compound 31 [PMID: 24809814]" . . "f" . "tarextumab" . "tarextumab" . . "t" . "roxadustat" . "roxadustat" . . "t" . "daprodustat" . "daprodustat" . . "f" . "molidustat" . "molidustat" . . "f" . "compound 10 [PMID: 19402633]" . "compound 10 [PMID: 19402633]" . . "f" . "nesvacumab" . "nesvacumab" . . "f" . "otelixizumab" . "otelixizumab" . . "f" . "Rec 15/2615" . "Rec 15/2615" . . "f" . "lulizumab pegol" . "lulizumab pegol" . . "f" . "AH 11110" . "AH 11110" . . "t" . "tremelimumab" . "tremelimumab" . . "f" . "AZD2461" . "AZD2461" . . "f" . "AZD5438" . "AZD5438" . . "f" . "AZD8330" . "AZD8330" . . "f" . "AZ628" . "AZ628" . . "f" . "AZ960" . "AZ960" . . "f" . "AZ20" . "AZ20" . . "t" . "phenylbutyrate" . "phenylbutyrate" . . "f" . "LDN-214117" . "LDN-214117" . . "f" . "decynium 22" . "decynium 22" . . "f" . "compound 4d [PMID: 25489658]" . "compound 4d [PMID: 25489658]" . . "f" . "peptide KLK2b(c1)" . "peptide KLK2b(c1)" . . "f" . "compound 1 [PMID: 16821802]" . "compound 1 [PMID: 16821802]" . . "f" . "example 131 [WO2009133348]" . "example 131 [WO2009133348]" . . "f" . "cytosine" . "cytosine" . . "f" . "compound 8 [PMID: 21692504]" . "compound 8 [PMID: 21692504]" . . "f" . "SKA-121" . "SKA-121" . . "f" . "compound 11 [PMID: 16413183]" . "compound 11 [PMID: 16413183]" . . "t" . "niclosamide" . "niclosamide" . . "f" . "HIV-1 matrix protein p17" . "HIV-1 matrix protein p17" . . "f" . "vCXCL1" . "vCXCL1" . . "f" . "navarixin" . "navarixin" . . "f" . "reparixin" . "reparixin" . . "f" . "elubirixin" . "elubirixin" . . "f" . "danirixin" . "danirixin" . . "f" . "SX-517" . "SX-517" . . "f" . "MK-7725" . "MK-7725" . . "f" . "[3H]bag-2" . "[3H]bag-2" . . "f" . "compound 17c [PMID: 25497965]" . "compound 17c [PMID: 25497965]" . . "f" . "compound 9f [PMID: 24412111]" . "compound 9f [PMID: 24412111]" . . "f" . "compound 9g [PMID: 24412111]" . "compound 9g [PMID: 24412111]" . . "f" . "MJN228" . "MJN228" . . "f" . "IS1" . "IS1" . . "f" . "IS20" . "IS20" . . "f" . "PC-25" . "PC-25" . . "f" . "compound 58 [PMID: 25037917]" . "compound 58 [PMID: 25037917]" . . "f" . "PF-01247324" . "PF-01247324" . . "f" . "[125I]BH-MIT1" . "[125I]BH-MIT1" . . "f" . "SGC707" . "SGC707" . . "f" . "MM07" . "MM07" . . "f" . "Elabela/Toddler-32" . "Elabela/Toddler-32" . . "f" . "Elabela/Toddler-21" . "Elabela/Toddler-21" . . "f" . "Elabela/Toddler-11" . "Elabela/Toddler-11" . . "f" . "AZD8186" . "AZD8186" . . "f" . "Xilonix TN" . "Xilonix TN" . . "f" . "compound 9 [PMID: 3514912]" . "compound 9 [PMID: 3514912]" . . "f" . "Ro5028442" . "Ro5028442" . . "f" . "CXCL12γ" . "CXCL12γ" . . "f" . "CXCL12δ" . "CXCL12δ" . . "f" . "CXCL12ε" . "CXCL12ε" . . "f" . "CXCL12φ" . "CXCL12φ" . . "f" . "CXCL12H25R (monomer)" . "CXCL12H25R (monomer)" . . "f" . "CXCL122 (dimer)" . "CXCL122 (dimer)" . . "f" . "SDF1 P2G" . "SDF1 P2G" . . "f" . "ONO-AE3-237" . "ONO-AE3-237" . . "f" . "PF-04852946" . "PF-04852946" . . "f" . "olesoxime" . "olesoxime" . . "f" . "alloswitch-1" . "alloswitch-1" . . "f" . "WB4-24" . "WB4-24" . . "f" . "XAP044" . "XAP044" . . "f" . "TG7-171" . "TG7-171" . . "f" . "CYM2503" . "CYM2503" . . "f" . "compound 2 [PMID: 26061392]" . "compound 2 [PMID: 26061392]" . . "f" . "benzoquinazolinone 12" . "benzoquinazolinone 12" . . "f" . "compound 24dd [PMID: 20684603]" . "compound 24dd [PMID: 20684603]" . . "f" . "compound 15c [PMID: 21536437]" . "compound 15c [PMID: 21536437]" . . "f" . "compound 35 [PMID: 24157366]" . "compound 35 [PMID: 24157366]" . . "f" . "compound 20 [PMID: 12372533]" . "compound 20 [PMID: 12372533]" . . "f" . "compound 3 [PMID: 17942791]" . "compound 3 [PMID: 17942791]" . . "f" . "compound 14 [PMID: 23634668]" . "compound 14 [PMID: 23634668]" . . "f" . "Pam3CSK4" . "Pam3CSK4" . . "f" . "compound 2 [PMID: 11934595]" . "compound 2 [PMID: 11934595]" . . "f" . "ARI-3099" . "ARI-3099" . . "f" . "ARI-3531" . "ARI-3531" . . "f" . "compound I3 [PMID: 23428964]" . "compound I3 [PMID: 23428964]" . . "f" . "Ac-VEID-CHO" . "Ac-VEID-CHO" . . "f" . "RS 39066" . "RS 39066" . . "f" . "compound 25 [PMID: 18068976]" . "compound 25 [PMID: 18068976]" . . "f" . "compound 19 [PMID: 8831774]" . "compound 19 [PMID: 8831774]" . . "f" . "mercaptoacrylate inhibitor of calpain 1" . "mercaptoacrylate inhibitor of calpain 1" . . "f" . "BAZ2-ICR" . "BAZ2-ICR" . . "f" . "LP99" . "LP99" . . "f" . "NI-57" . "NI-57" . . "f" . "PFI-4" . "PFI-4" . . "f" . "peptide 4 [PMID: 18294843]" . "peptide 4 [PMID: 18294843]" . . "f" . "UH-AH 37" . "UH-AH 37" . . "f" . "AQ-RA 741" . "AQ-RA 741" . . "f" . "KDOAM25" . "KDOAM25" . . "f" . "GSK484" . "GSK484" . . "f" . "compound 29e [PMID: 23631440]" . "compound 29e [PMID: 23631440]" . . "f" . "CID16197121" . "CID16197121" . . "f" . "mavorixafor" . "mavorixafor" . . "f" . "example 8 [WO1999033801A1]" . "example 8 [WO1999033801A1]" . . "f" . "MQ1" . "MQ1" . . "f" . "ONO-3080573" . "ONO-3080573" . . "f" . "ONO-9780307" . "ONO-9780307" . . "f" . "ONO-9910539" . "ONO-9910539" . . "f" . "ML381" . "ML381" . . "f" . "[3H]tiotropium" . "[3H]tiotropium" . . "f" . "[3H]acetylcholine" . "[3H]acetylcholine" . . "f" . "[3H](+)telenzepine" . "[3H](+)telenzepine" . . "f" . "[3H]oxotremorine-M" . "[3H]oxotremorine-M" . . "f" . "NTE-1" . "NTE-1" . . "f" . "NTE-2" . "NTE-2" . . "f" . "Cy3B-telenzepine" . "Cy3B-telenzepine" . . "f" . "quinoline 2" . "quinoline 2" . . "f" . "Alexa-488-telenzepine" . "Alexa-488-telenzepine" . . "f" . "BODIPY-pirenzepine" . "BODIPY-pirenzepine" . . "f" . "GSK2194069" . "GSK2194069" . . "f" . "JZL195" . "JZL195" . . "f" . "Ala(1-naph)-Pro-CN" . "Ala(1-naph)-Pro-CN" . . "f" . "ABL127" . "ABL127" . . "f" . "KL044" . "KL044" . . "f" . "3S,4R-293B" . "3S,4R-293B" . . "f" . "S136492" . "S136492" . . "f" . "Deuterium-substituted L-DOPA" . "Deuterium-substituted L-DOPA" . . "f" . "compound 37 [PMID: 24418773]" . "compound 37 [PMID: 24418773]" . . "f" . "compound 1b [PMID: 16290936]" . "compound 1b [PMID: 16290936]" . . "f" . "compound 4b [PMID: 20690647]" . "compound 4b [PMID: 20690647]" . . "f" . "compound 5a [PMID: 20690647]" . "compound 5a [PMID: 20690647]" . . "f" . "MG-132" . "MG-132" . . "f" . "PD159790" . "PD159790" . . "f" . "compound 3b [PMID: 24946214]" . "compound 3b [PMID: 24946214]" . . "f" . "AK198" . "AK198" . . "f" . "inhibitor 19 [PMID: 21476495]" . "inhibitor 19 [PMID: 21476495]" . . "f" . "compound 3d [PMID: 3941405]" . "compound 3d [PMID: 3941405]" . . "f" . "compound 4 [PMID: 19954973]" . "compound 4 [PMID: 19954973]" . . "f" . "inhibitor 1 [Colombo et al., 2012]" . "inhibitor 1 [Colombo et al., 2012]" . . "f" . "o-F-amidine" . "o-F-amidine" . . "f" . "compound 4g [PMID: 22595175]" . "compound 4g [PMID: 22595175]" . . "f" . "galeterone" . "galeterone" . . "f" . "compound 27 [PMID: 22142545]" . "compound 27 [PMID: 22142545]" . . "f" . "compound 1b [PMID: 18078750]" . "compound 1b [PMID: 18078750]" . . "f" . "compound 4 [PMID: 12408711]" . "compound 4 [PMID: 12408711]" . . "f" . "SL422" . "SL422" . . "f" . "compound 40 [PMID: 10602705]" . "compound 40 [PMID: 10602705]" . . "f" . "[125I]CXCL13 (mouse)" . "[125I]CXCL13 (mouse)" . . "f" . "compound 6 [PMID: 10395480]" . "compound 6 [PMID: 10395480]" . . "f" . "compound 7u [PMID: 24775305]" . "compound 7u [PMID: 24775305]" . . "f" . "compound 3 [PMID: 8410973]" . "compound 3 [PMID: 8410973]" . . "f" . "casp 4 inhib" . "casp 4 inhib" . . "f" . "compound 15 [PMID: 22017539]" . "compound 15 [PMID: 22017539]" . . "f" . "compound 7r [PMID: 26080733]" . "compound 7r [PMID: 26080733]" . . "f" . "compound 57 [PMID: 26155854]" . "compound 57 [PMID: 26155854]" . . "f" . "compound 60 [PMID: 26155854]" . "compound 60 [PMID: 26155854]" . . "f" . "SB-633825" . "SB-633825" . . "f" . "ZK216348" . "ZK216348" . . "f" . "GSK1511931" . "GSK1511931" . . "f" . "GW853606" . "GW853606" . . "f" . "compound 2 [PMID: 19097784]" . "compound 2 [PMID: 19097784]" . . "f" . "GSK312948" . "GSK312948" . . "f" . "HT1042" . "HT1042" . . "f" . "compound 20 [PMID:12127536]" . "compound 20 [PMID:12127536]" . . "f" . "Ccl21a" . "Ccl21a" . . "f" . "Ccl21b" . "Ccl21b" . . "f" . "compound 51 [PMID: 19743866]" . "compound 51 [PMID: 19743866]" . . "f" . "M826" . "M826" . . "f" . "compound 5 {PMID: 24900446]" . "compound 5 {PMID: 24900446]" . . "f" . "SQ-24,798" . "SQ-24,798" . . "f" . "UK-396,082" . "UK-396,082" . . "f" . "peptide 18 [PMID: 24350995]" . "peptide 18 [PMID: 24350995]" . . "f" . "compound 8d [PMID: 15027864]" . "compound 8d [PMID: 15027864]" . . "f" . "compound 6 [PMID: 17948018]" . "compound 6 [PMID: 17948018]" . . "f" . "LDN-91946" . "LDN-91946" . . "f" . "APR19" . "APR19" . . "f" . "compound 12c [PMID: 16516466]" . "compound 12c [PMID: 16516466]" . . "f" . "WAY-255348" . "WAY-255348" . . "f" . "compound 10 [PMID: 18790648]" . "compound 10 [PMID: 18790648]" . . "f" . "compound 17 [PMID: 23916253]" . "compound 17 [PMID: 23916253]" . . "f" . "vialinin A" . "vialinin A" . . "f" . "compound 5 [PMID: 21741839]" . "compound 5 [PMID: 21741839]" . . "f" . "ANTAQ" . "ANTAQ" . . "f" . "hK2p01 derivative KLK2 inhibitor" . "hK2p01 derivative KLK2 inhibitor" . . "f" . "compound 1 [PMID: 18507370]" . "compound 1 [PMID: 18507370]" . . "f" . "grassystatin A" . "grassystatin A" . . "f" . "compound 3 [PMID: 14640538]" . "compound 3 [PMID: 14640538]" . . "f" . "S-BMPA" . "S-BMPA" . . "f" . "compound 9 [PMID: 1738140]" . "compound 9 [PMID: 1738140]" . . "t" . "finerenone" . "finerenone" . . "f" . "INCB3619" . "INCB3619" . . "f" . "IK-862" . "IK-862" . . "t" . "volanesorsen" . "volanesorsen" . . "f" . "compound 3 [PMID: 24440480]" . "compound 3 [PMID: 24440480]" . . "f" . "streptonigrin" . "streptonigrin" . . "f" . "compound 14b [PMID: 25742366]" . "compound 14b [PMID: 25742366]" . . "f" . "Cl-amidine" . "Cl-amidine" . . "t" . "margetuximab" . "margetuximab" . . "f" . "ML380" . "ML380" . . "f" . "hydroxyethylamine transition-state inhibitor 1" . "hydroxyethylamine transition-state inhibitor 1" . . "f" . "idalopirdine" . "idalopirdine" . . "f" . "GSK2033" . "GSK2033" . . "f" . "begelomab" . "begelomab" . . "f" . "SR9238" . "SR9238" . . "f" . "GSK9772" . "GSK9772" . . "t" . "valbenazine" . "valbenazine" . . "f" . "evofosfamide" . "evofosfamide" . . "f" . "TM-38837" . "TM-38837" . . "t" . "tipiracil" . "tipiracil" . . "t" . "trifluridine" . "trifluridine" . . "f" . "compound 16 [PMID: 23412139]" . "compound 16 [PMID: 23412139]" . . "f" . "verubecestat" . "verubecestat" . . "f" . "tirotundin" . "tirotundin" . . "f" . "tagitinin A" . "tagitinin A" . . "f" . "KML110" . "KML110" . . "t" . "deutetrabenazine" . "deutetrabenazine" . . "t" . "gilteritinib" . "gilteritinib" . . "t" . "ozanimod" . "ozanimod" . . "t" . "pexidartinib" . "pexidartinib" . . "f" . "tesidolumab" . "tesidolumab" . . "f" . "complement C5" . "complement C5" . . "t" . "brolucizumab" . "brolucizumab" . . "f" . "dectrekumab" . "dectrekumab" . . "f" . "elgemtumab" . "elgemtumab" . . "f" . "angiopoietin-like 3" . "angiopoietin-like 3" . . "t" . "evinacumab" . "evinacumab" . . "f" . "indusatumab vedotin" . "indusatumab vedotin" . . "t" . "isatuximab" . "isatuximab" . . "f" . "compound 19 [PMID: 22142545]" . "compound 19 [PMID: 22142545]" . . "t" . "nemolizumab" . "nemolizumab" . . "f" . "CCG-4986" . "CCG-4986" . . "f" . "YJ34" . "YJ34" . . "f" . "5nd" . "5nd" . . "f" . "CCG-63802" . "CCG-63802" . . "f" . "CCG-63808" . "CCG-63808" . . "f" . "(4Z)-1-(3-fluorophenyl)-4-(2-oxo-1H-indol-3-ylidene)pyrazolidine-3,5-dione" . "(4Z)-1-(3-fluorophenyl)-4-(2-oxo-1H-indol-3-ylidene)pyrazolidine-3,5-dione" . . "f" . "(5Z)-1-(2-fluorophenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-diazinane-4,6-dione" . "(5Z)-1-(2-fluorophenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-diazinane-4,6-dione" . . "f" . "(5E)-1-(4-fluorophenyl)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione" . "(5E)-1-(4-fluorophenyl)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione" . . "f" . "(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione" . "(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione" . . "f" . "landogrozumab" . "landogrozumab" . . "f" . "compound 10b [PMID: 26222319]" . "compound 10b [PMID: 26222319]" . . "f" . "compound 33 [PMID: 26230603]" . "compound 33 [PMID: 26230603]" . . "f" . "compound 4 [PMID: 26191369]" . "compound 4 [PMID: 26191369]" . . "f" . "compound 4 [PMID: 26218264]" . "compound 4 [PMID: 26218264]" . . "t" . "avelumab" . "avelumab" . . "f" . "resokine" . "resokine" . . "f" . "compound 26 [PMID: 21733693]" . "compound 26 [PMID: 21733693]" . . "f" . "IGN523" . "IGN523" . . "f" . "aTyr 1940" . "aTyr 1940" . . "f" . "oprozomib" . "oprozomib" . . "f" . "omecamtiv mecarbil" . "omecamtiv mecarbil" . . "f" . "compound 5k [PMID: 23528296]" . "compound 5k [PMID: 23528296]" . . "f" . "resveratrol" . "resveratrol" . . "f" . "VS-4718" . "VS-4718" . . "f" . "compound 34 [PMID: 20189382]" . "compound 34 [PMID: 20189382]" . . "f" . "compound 6a [PMID: 18942826]" . "compound 6a [PMID: 18942826]" . . "f" . "compound 3 [PMID: 21650226]" . "compound 3 [PMID: 21650226]" . . "t" . "ajmalicine" . "ajmalicine" . . "f" . "compound 3 [PMID: 18255300]" . "compound 3 [PMID: 18255300]" . . "f" . "L-NNA" . "L-NNA" . . "f" . "Dup-714" . "Dup-714" . . "f" . "compound 44 [PMID: 19748780]" . "compound 44 [PMID: 19748780]" . . "f" . "WP814" . "WP814" . . "f" . "compound 8 [PMID: 17480064]" . "compound 8 [PMID: 17480064]" . . "f" . "compound 28xvii [PMID: 8809154]" . "compound 28xvii [PMID: 8809154]" . . "f" . "ML337" . "ML337" . . "f" . "estradiol disulfate" . "estradiol disulfate" . . "f" . "JNJ-63533054" . "JNJ-63533054" . . "f" . "FITM" . "FITM" . . "f" . "compound 38 [PMID: 20817473]" . "compound 38 [PMID: 20817473]" . . "t" . "tolfenamic acid" . "tolfenamic acid" . . "f" . "illudalic acid" . "illudalic acid" . . "f" . "compound 57 [PMID: 16610804]" . "compound 57 [PMID: 16610804]" . . "f" . "Nrf2 peptide [PMID: 23647822]" . "Nrf2 peptide [PMID: 23647822]" . . "f" . "compound 45 [PMID: 8709105]" . "compound 45 [PMID: 8709105]" . . "f" . "LP-360924" . "LP-360924" . . "f" . "LP-471756" . "LP-471756" . . "f" . "NCRW0005-F05" . "NCRW0005-F05" . . "f" . "PAK-104P" . "PAK-104P" . . "f" . "compound 51 [Crosignani et al., 2011]" . "compound 51 [Crosignani et al., 2011]" . . "f" . "compound 17 [PMID: 23570514]" . "compound 17 [PMID: 23570514]" . . "f" . "compound 10h [PMID: 20832306]" . "compound 10h [PMID: 20832306]" . . "f" . "compound 8e [PMID: 23044371]" . "compound 8e [PMID: 23044371]" . . "f" . "FIPI" . "FIPI" . . "f" . "compound 69 [PMID: 19136975]" . "compound 69 [PMID: 19136975]" . . "f" . "compound 1l [PMID: 16644217]" . "compound 1l [PMID: 16644217]" . . "f" . "SGI-1776" . "SGI-1776" . . "f" . "compound 7 [PMID: 21334791]" . "compound 7 [PMID: 21334791]" . . "f" . "compound 13e [PMID: 16759857]" . "compound 13e [PMID: 16759857]" . . "f" . "compound 12e [PMID: 18605714]" . "compound 12e [PMID: 18605714]" . . "f" . "HM50316" . "HM50316" . . "f" . "chrysin" . "chrysin" . . "f" . "compound 5 [PMID: 21838328]" . "compound 5 [PMID: 21838328]" . . "f" . "compound 33 [Toda et al., 2013]" . "compound 33 [Toda et al., 2013]" . . "f" . "A1120" . "A1120" . . "f" . "compound 53 [PMID: 19631533]" . "compound 53 [PMID: 19631533]" . . "f" . "SAR260301" . "SAR260301" . . "f" . "compound 1b [PMID: 9871762]" . "compound 1b [PMID: 9871762]" . . "f" . "compound 7p [PMID: 7861416]" . "compound 7p [PMID: 7861416]" . . "f" . "compound 6ee [PMID: 22364528]" . "compound 6ee [PMID: 22364528]" . . "f" . "compound 13 [PMID: 17502136]" . "compound 13 [PMID: 17502136]" . . "t" . "cefalotin" . "cefalotin" . . "f" . "azalanstat" . "azalanstat" . . "f" . "2-monoacylglycerol" . "2-monoacylglycerol" . . "f" . "apstatin" . "apstatin" . . "t" . "ritonavir" . "ritonavir" . . "f" . "compound 82 [PMID: 21332118]" . "compound 82 [PMID: 21332118]" . . "f" . "A1P" . "A1P" . . "f" . "naphthylvinylmethylpyridine" . "naphthylvinylmethylpyridine" . . "f" . "compound 13b [PMID: 19101153]" . "compound 13b [PMID: 19101153]" . . "f" . "compound 6b [PMID: 22749870]" . "compound 6b [PMID: 22749870]" . . "f" . "compound 3 [Tuttle et al., 2013]" . "compound 3 [Tuttle et al., 2013]" . . "f" . "AKK(thioAc)LM21" . "AKK(thioAc)LM21" . . "f" . "D-e-MAPP" . "D-e-MAPP" . . "f" . "7ACC2" . "7ACC2" . . "f" . "CTA091" . "CTA091" . . "f" . "CCT129957" . "CCT129957" . . "f" . "MT47-100" . "MT47-100" . . "f" . "TGN4" . "TGN4" . . "f" . "compound 2 [Maurer et al., 2012]" . "compound 2 [Maurer et al., 2012]" . . "f" . "compound 50 [PMID: 24313754]" . "compound 50 [PMID: 24313754]" . . "f" . "compound III [PMID: 24080463]" . "compound III [PMID: 24080463]" . . "f" . "disprocynium24" . "disprocynium24" . . "f" . "compound 11j [PMID: 23021994]" . "compound 11j [PMID: 23021994]" . . "f" . "compound 7b [PMID: 17583500]" . "compound 7b [PMID: 17583500]" . . "f" . "compound 2 [PMID: 22380603]" . "compound 2 [PMID: 22380603]" . . "f" . "torin 2" . "torin 2" . . "f" . "compound 2e [PMID: 19013076]" . "compound 2e [PMID: 19013076]" . . "f" . "compound 1 [PMID: 21882820]" . "compound 1 [PMID: 21882820]" . . "f" . "compound 4 [PMID: 16495056]" . "compound 4 [PMID: 16495056]" . . "f" . "compound 9 [PMID: 11606127]" . "compound 9 [PMID: 11606127]" . . "f" . "compound D24 [PMID: 24374347]" . "compound D24 [PMID: 24374347]" . . "f" . "compound 1j [PMID: 26314925]" . "compound 1j [PMID: 26314925]" . . "f" . "PP1" . "PP1" . . "f" . "compound 16 [PMID: 19097778]" . "compound 16 [PMID: 19097778]" . . "f" . "compound 10 [PMID: 18759424]" . "compound 10 [PMID: 18759424]" . . "f" . "compound 7a [PMID: 24884590]" . "compound 7a [PMID: 24884590]" . . "f" . "compound 5 [PMID: 10869194]" . "compound 5 [PMID: 10869194]" . . "f" . "compound 5 [Noble et al., 1992]" . "compound 5 [Noble et al., 1992]" . . "f" . "S-4048" . "S-4048" . . "f" . "CGS-27023A" . "CGS-27023A" . . "f" . "inhibitor A [PMID: 12482429]" . "inhibitor A [PMID: 12482429]" . . "f" . "SCH-900229" . "SCH-900229" . . "f" . "peptide ligand 2 [PMID: 19055415]" . "peptide ligand 2 [PMID: 19055415]" . . "f" . "compound 33 [PMID: 19908842]" . "compound 33 [PMID: 19908842]" . . "f" . "compound 7b [Haftchenary et al., 2013]" . "compound 7b [Haftchenary et al., 2013]" . . "f" . "17-octadecynoic acid" . "17-octadecynoic acid" . . "f" . "compound 4d [PMID: 20655626]" . "compound 4d [PMID: 20655626]" . . "f" . "yzm18" . "yzm18" . . "f" . "combretastatin A4" . "combretastatin A4" . . "f" . "SM-122" . "SM-122" . . "f" . "compound 39 [PMID: 23623673]" . "compound 39 [PMID: 23623673]" . . "f" . "compound 8a [PMID: 23713581]" . "compound 8a [PMID: 23713581]" . . "f" . "fosbretabulin" . "fosbretabulin" . . "f" . "β-Cyano-L-alanine" . "β-Cyano-L-alanine" . . "f" . "aminoethoxyvinylglycine" . "aminoethoxyvinylglycine" . . "f" . "polybia-MP1" . "polybia-MP1" . . "f" . "MS363" . "MS363" . . "f" . "BLU-9931" . "BLU-9931" . . "f" . "dubermatinib" . "dubermatinib" . . "f" . "(R)-Ro65-6570" . "(R)-Ro65-6570" . . "f" . "PWT2-N/OFQ" . "PWT2-N/OFQ" . . "f" . "cebranopadol" . "cebranopadol" . . "f" . "SR16835" . "SR16835" . . "f" . "SCH221510" . "SCH221510" . . "f" . "SCH486757" . "SCH486757" . . "f" . "P6949" . "P6949" . . "f" . "AS1949490" . "AS1949490" . . "f" . "RBM2-1B" . "RBM2-1B" . . "f" . "IU1" . "IU1" . . "f" . "compound 1a [PMID: 23597791]" . "compound 1a [PMID: 23597791]" . . "t" . "enoxacin" . "enoxacin" . . "f" . "PhTX-11" . "PhTX-11" . . "f" . "compound 19 [PMID: 7707314]" . "compound 19 [PMID: 7707314]" . . "f" . "compound 21 [PMID: 23981033]" . "compound 21 [PMID: 23981033]" . . "f" . "compound 30 [PMID: 22468970]" . "compound 30 [PMID: 22468970]" . . "f" . "compound 8 [PMID: 17562362}" . "compound 8 [PMID: 17562362}" . . "f" . "ML130" . "ML130" . . "f" . "compound 13 [PMID: 23098072]" . "compound 13 [PMID: 23098072]" . . "f" . "SC-67655" . "SC-67655" . . "f" . "compound 9 [PMID: 15615544]" . "compound 9 [PMID: 15615544]" . . "f" . "SGI-1027" . "SGI-1027" . . "f" . "CUDC-101" . "CUDC-101" . . "f" . "VPC171" . "VPC171" . . "f" . "KMUP-1" . "KMUP-1" . . "f" . "AC-186" . "AC-186" . . "f" . "FERb 033" . "FERb 033" . . "f" . "liquiritigenin" . "liquiritigenin" . . "f" . "edaglitazone" . "edaglitazone" . . "f" . "GSK5182" . "GSK5182" . . "t" . "larotrectinib" . "larotrectinib" . . "f" . "SAR407899" . "SAR407899" . . "f" . "verosudil" . "verosudil" . . "f" . "FRAX486" . "FRAX486" . . "t" . "acalabrutinib" . "acalabrutinib" . . "f" . "AMG-337" . "AMG-337" . . "f" . "onatasertib" . "onatasertib" . . "f" . "AZD8835" . "AZD8835" . . "f" . "FRAX597" . "FRAX597" . . "t" . "umbralisib" . "umbralisib" . . "f" . "AMG319" . "AMG319" . . "f" . "samotolisib" . "samotolisib" . . "f" . "AR-67" . "AR-67" . . "f" . "IPA-3" . "IPA-3" . . "f" . "ublituximab" . "ublituximab" . . "f" . "plozalizumab" . "plozalizumab" . . "t" . "risankizumab" . "risankizumab" . . "f" . "opicinumab" . "opicinumab" . . "f" . "compound 4 [PMID: 24432870]" . "compound 4 [PMID: 24432870]" . . "t" . "pitolisant" . "pitolisant" . . "f" . "fibatuzumab" . "fibatuzumab" . . "f" . "glembatumumab vedotin" . "glembatumumab vedotin" . . "f" . "connective tissue growth factor" . "connective tissue growth factor" . . "f" . "pamrevlumab" . "pamrevlumab" . . "f" . "trevogrumab" . "trevogrumab" . . "f" . "istiratumab" . "istiratumab" . . "f" . "MM-111" . "MM-111" . . "f" . "pepinemab" . "pepinemab" . . "f" . "JNJ-46281222" . "JNJ-46281222" . . "t" . "tezepelumab" . "tezepelumab" . . "f" . "enokizumab" . "enokizumab" . . "f" . "lenzilumab" . "lenzilumab" . . "f" . "compound 3 [PMID: 26191365]" . "compound 3 [PMID: 26191365]" . . "f" . "PF-3758309" . "PF-3758309" . . "f" . "edicotinib" . "edicotinib" . . "f" . "LY3009120" . "LY3009120" . . "f" . "emactuzumab" . "emactuzumab" . . "f" . "CCT251545" . "CCT251545" . . "f" . "JNJ-40411813" . "JNJ-40411813" . . "f" . "AZD5069" . "AZD5069" . . "f" . "A-196" . "A-196" . . "f" . "BI-9564" . "BI-9564" . . "f" . "NVS-1" . "NVS-1" . . "f" . "fimepinostat" . "fimepinostat" . . "f" . "GSK591" . "GSK591" . . "f" . "MS023" . "MS023" . . "f" . "BAY-678" . "BAY-678" . . "f" . "cerdulatinib" . "cerdulatinib" . . "f" . "lifirafenib" . "lifirafenib" . . "f" . "ensartinib" . "ensartinib" . . "t" . "enasidenib" . "enasidenib" . . "f" . "GSK864" . "GSK864" . . "t" . "asciminib" . "asciminib" . . "f" . "BO1" . "BO1" . . "f" . "fulranumab" . "fulranumab" . . "f" . "fasinumab" . "fasinumab" . . "f" . "onartuzumab" . "onartuzumab" . . "t" . "galcanezumab" . "galcanezumab" . . "f" . "PSB-0963" . "PSB-0963" . . "f" . "PIK-108" . "PIK-108" . . "f" . "serabelisib" . "serabelisib" . . "f" . "human GIP(3-42)NH2" . "human GIP(3-42)NH2" . . "f" . "human GIP(3-30)NH2" . "human GIP(3-30)NH2" . . "f" . "human GIP(5-30)NH2" . "human GIP(5-30)NH2" . . "f" . "human GIP(1-30)NH2" . "human GIP(1-30)NH2" . . "f" . "omipalisib" . "omipalisib" . . "f" . "IL-34" . "IL-34" . . "f" . "NS-398" . "NS-398" . . "f" . "HTH-01-015" . "HTH-01-015" . . "f" . "quinostatin" . "quinostatin" . . "f" . "GSK-J4" . "GSK-J4" . . "f" . "RN-1" . "RN-1" . . "t" . "pyridostigmine" . "pyridostigmine" . . "f" . "conessine" . "conessine" . . "f" . "INCB-38579" . "INCB-38579" . . "f" . "ST-1006" . "ST-1006" . . "f" . "JNJ-39758979" . "JNJ-39758979" . . "f" . "adriforant" . "adriforant" . . "t" . "neostigmine" . "neostigmine" . . "t" . "opicapone" . "opicapone" . . "f" . "LY2077855" . "LY2077855" . . "f" . "compound 1 [WO2014017936]" . "compound 1 [WO2014017936]" . . "f" . "STM 434" . "STM 434" . . "f" . "compound 49 [PMID: 24405707]" . "compound 49 [PMID: 24405707]" . . "f" . "fevipiprant" . "fevipiprant" . . "f" . "QAV680" . "QAV680" . . "f" . "ligelizumab" . "ligelizumab" . . "f" . "quilizumab" . "quilizumab" . . "f" . "(S)-ARN2508" . "(S)-ARN2508" . . "f" . "(R)-ARN2508" . "(R)-ARN2508" . . "f" . "BIA 10-2474" . "BIA 10-2474" . . "f" . "BW373U86" . "BW373U86" . . "f" . "ADL5747" . "ADL5747" . . "f" . "AZ10606120" . "AZ10606120" . . "f" . "ADL5859" . "ADL5859" . . "f" . "AR-M1000390" . "AR-M1000390" . . "f" . "UFP-512" . "UFP-512" . . "f" . "GSK180" . "GSK180" . . "f" . "compound 5d [PMID: 25815150]" . "compound 5d [PMID: 25815150]" . . "f" . "NM4-C16" . "NM4-C16" . . "f" . "compound NRA 4 [PMID: 25262941]" . "compound NRA 4 [PMID: 25262941]" . . "f" . "GW791343" . "GW791343" . . "t" . "mebeverine" . "mebeverine" . . "f" . "JNJ-42165279" . "JNJ-42165279" . . "f" . "compound 19y [Kiss et al., 2011]" . "compound 19y [Kiss et al., 2011]" . . "f" . "PF-152" . "PF-152" . . "t" . "acenocoumarol" . "acenocoumarol" . . "f" . "compound 43 [PMID: 26751273]" . "compound 43 [PMID: 26751273]" . . "f" . "LM10" . "LM10" . . "f" . "compound 9 [PMID: 23472952]" . "compound 9 [PMID: 23472952]" . . "f" . "NCX-4016" . "NCX-4016" . . "f" . "navoximod" . "navoximod" . . "f" . "AT38" . "AT38" . . "f" . "defoslimod" . "defoslimod" . . "f" . "852A" . "852A" . . "f" . "motolimod" . "motolimod" . . "f" . "L6H21" . "L6H21" . . "f" . "SB590885" . "SB590885" . . "f" . "3beta-Hydroxy-20(29)-lupene" . "3beta-Hydroxy-20(29)-lupene" . . "t" . "mometasone" . "mometasone" . . "f" . "ARL 67156" . "ARL 67156" . . "f" . "ONX-0914" . "ONX-0914" . . "t" . "difelikefalin" . "difelikefalin" . . "f" . "INCB8761" . "INCB8761" . . "f" . "PSB-6426" . "PSB-6426" . . "f" . "VRT-043198" . "VRT-043198" . . "f" . "belnacasan" . "belnacasan" . . "f" . "INCB3284" . "INCB3284" . . "f" . "resatorvid" . "resatorvid" . . "f" . "SP-4206" . "SP-4206" . . "f" . "PF-04859989" . "PF-04859989" . . "t" . "erdafitinib" . "erdafitinib" . . "f" . "JNJ40355003" . "JNJ40355003" . . "f" . "selonsertib" . "selonsertib" . . "t" . "brivaracetam" . "brivaracetam" . . "f" . "evocalcet" . "evocalcet" . . "t" . "apalutamide" . "apalutamide" . . "f" . "tilfrinib" . "tilfrinib" . . "f" . "vercirnon" . "vercirnon" . . "f" . "eldelumab" . "eldelumab" . . "f" . "MK-0812" . "MK-0812" . . "f" . "bimosiamose" . "bimosiamose" . . "f" . "dextrorphan" . "dextrorphan" . . "f" . "telaglenastat" . "telaglenastat" . . "f" . "PF-04191834" . "PF-04191834" . . "f" . "CE-326597" . "CE-326597" . . "f" . "CP-601927" . "CP-601927" . . "f" . "complement C3" . "complement C3" . . "f" . "PF-03463275" . "PF-03463275" . . "f" . "PF-03654746" . "PF-03654746" . . "f" . "PF-04995274" . "PF-04995274" . . "f" . "PF-05190457" . "PF-05190457" . . "t" . "dipipanone" . "dipipanone" . . "f" . "PF-03882845" . "PF-03882845" . . "f" . "PF-04905428" . "PF-04905428" . . "t" . "enoximone" . "enoximone" . . "t" . "celiprolol" . "celiprolol" . . "f" . "[3H][D-Ala2]deltorphin I" . "[3H][D-Ala2]deltorphin I" . . "f" . "cenderitide" . "cenderitide" . . "f" . "PL-3994" . "PL-3994" . . "t" . "vosoritide" . "vosoritide" . . "t" . "plecanatide" . "plecanatide" . . "f" . "Dendroaspis natriuretic peptide" . "Dendroaspis natriuretic peptide" . . "t" . "nabilone" . "nabilone" . . "t" . "cinnarizine" . "cinnarizine" . . "t" . "edrophonium" . "edrophonium" . . "t" . "echothiophate" . "echothiophate" . . "t" . "dacarbazine" . "dacarbazine" . . "t" . "estramustine" . "estramustine" . . "f" . "compound 1 [PMID: 24930776]" . "compound 1 [PMID: 24930776]" . . "f" . "example 13 [WO2009109743]" . "example 13 [WO2009109743]" . . "f" . "compound 15 [PMID: 25411721]" . "compound 15 [PMID: 25411721]" . . "f" . "MRL-367" . "MRL-367" . . "f" . "MRL-248" . "MRL-248" . . "f" . "diamorphine" . "diamorphine" . . "t" . "meptazinol" . "meptazinol" . . "f" . "compound 27 [PMID: 26938474]" . "compound 27 [PMID: 26938474]" . . "f" . "compound 42 [PMID: 26938474]" . "compound 42 [PMID: 26938474]" . . "t" . "pholcodine" . "pholcodine" . . "t" . "satralizumab" . "satralizumab" . . "t" . "defibrotide" . "defibrotide" . . "t" . "clobetasone" . "clobetasone" . . "f" . "etomoxir" . "etomoxir" . . "f" . "PL265" . "PL265" . . "f" . "compound 1a [PMID: 25692029]" . "compound 1a [PMID: 25692029]" . . "f" . "GSK334429" . "GSK334429" . . "t" . "lanadelumab" . "lanadelumab" . . "f" . "zotiraciclib" . "zotiraciclib" . . "f" . "domagrozumab" . "domagrozumab" . . "f" . "timolumab" . "timolumab" . . "f" . "compound 8b [PMID: 22408719]" . "compound 8b [PMID: 22408719]" . . "f" . "carotuximab" . "carotuximab" . . "t" . "lumateperone" . "lumateperone" . . "f" . "flortaucipir (18F)" . "flortaucipir (18F)" . . "f" . "brimapitide" . "brimapitide" . . "f" . "SC-22716" . "SC-22716" . . "f" . "PLX7486" . "PLX7486" . . "f" . "PLX5622" . "PLX5622" . . "f" . "AMG820" . "AMG820" . . "f" . "cabiralizumab" . "cabiralizumab" . . "f" . "JMR-132" . "JMR-132" . . "f" . "ARRY-382" . "ARRY-382" . . "f" . "LY3022855" . "LY3022855" . . "f" . "MCS110" . "MCS110" . . "f" . "6-methoxysakuranetin" . "6-methoxysakuranetin" . . "f" . "GIV3727" . "GIV3727" . . "f" . "CPI-1205" . "CPI-1205" . . "f" . "GSK2879552" . "GSK2879552" . . "f" . "mivebresib" . "mivebresib" . . "f" . "TEN-010" . "TEN-010" . . "f" . "TUG-905" . "TUG-905" . . "f" . "BAY1238097" . "BAY1238097" . . "f" . "pelabresib" . "pelabresib" . . "f" . "LSN2424100" . "LSN2424100" . . "f" . "ACT-335827" . "ACT-335827" . . "t" . "caplacizumab" . "caplacizumab" . . "f" . "BMS-986121" . "BMS-986121" . . "f" . "anti-ILT7 antibody" . "anti-ILT7 antibody" . . "f" . "MM-151" . "MM-151" . . "f" . "BAY-320" . "BAY-320" . . "f" . "BAY-524" . "BAY-524" . . "t" . "megestrol" . "megestrol" . . "f" . "L779450" . "L779450" . . "f" . "ZM336372" . "ZM336372" . . "f" . "PLX8394" . "PLX8394" . . "f" . "vanucizumab" . "vanucizumab" . . "f" . "glesatinib" . "glesatinib" . . "f" . "GSK583" . "GSK583" . . "f" . "[Cy5-Lys19]NPS" . "[Cy5-Lys19]NPS" . . "f" . "MK-0893" . "MK-0893" . . "f" . "SB-674042" . "SB-674042" . . "f" . "neoceptin-3" . "neoceptin-3" . . "f" . "neoceptin-4" . "neoceptin-4" . . "f" . "PEN" . "PEN" . . "f" . "PEN" . "PEN" . . "f" . "PKUMDL_MH_1001" . "PKUMDL_MH_1001" . . "f" . "PF-8380" . "PF-8380" . . "f" . "example 1.11 [WO2014139978]" . "example 1.11 [WO2014139978]" . . "f" . "example 2 [WO2013054185]" . "example 2 [WO2013054185]" . . "f" . "compound 74a [PMID: 27077528]" . "compound 74a [PMID: 27077528]" . . "f" . "BI-7273" . "BI-7273" . . "f" . "compound 14j [PMID: 27050842]" . "compound 14j [PMID: 27050842]" . . "f" . "compound 4 [PMID: 27074625]" . "compound 4 [PMID: 27074625]" . . "t" . "naldemedine" . "naldemedine" . . "t" . "crisaborole" . "crisaborole" . . "t" . "esketamine" . "esketamine" . . "f" . "arketamine" . "arketamine" . . "f" . "(2R,6R) 6-hydroxynorketamine" . "(2R,6R) 6-hydroxynorketamine" . . "f" . "ogerin" . "ogerin" . . "f" . "BMS-986122" . "BMS-986122" . . "f" . "BMS-986123" . "BMS-986123" . . "f" . "BMS-986124" . "BMS-986124" . . "f" . "ulocuplumab" . "ulocuplumab" . . "f" . "compound C10 [PMID: 24297249]" . "compound C10 [PMID: 24297249]" . . "f" . "peptide P19 [PMID: 15652659]" . "peptide P19 [PMID: 15652659]" . . "f" . "guanylyl cyclase-activating protein 1" . "guanylyl cyclase-activating protein 1" . . "f" . "guanylyl cyclase-activating protein 2" . "guanylyl cyclase-activating protein 2" . . "f" . "NCGC 84" . "NCGC 84" . . "f" . "compound 34h [PMID: 27055065]" . "compound 34h [PMID: 27055065]" . . "f" . "compound 51 [Mallinger et al., 2016]" . "compound 51 [Mallinger et al., 2016]" . . "f" . "compound 20 [Bergeron et al., 2016]" . "compound 20 [Bergeron et al., 2016]" . . "f" . "WZ4002" . "WZ4002" . . "t" . "olaratumab" . "olaratumab" . . "f" . "rebastinib" . "rebastinib" . . "f" . "altiratinib" . "altiratinib" . . "t" . "ripretinib" . "ripretinib" . . "f" . "probe 1.1 [PMID: 24187130]" . "probe 1.1 [PMID: 24187130]" . . "f" . "AC430" . "AC430" . . "f" . "ARN726" . "ARN726" . . "f" . "C108297" . "C108297" . . "f" . "bihelical apoA-I mimetic peptide 5A" . "bihelical apoA-I mimetic peptide 5A" . . "f" . "probe 2.1 [PMID: 24187130]" . "probe 2.1 [PMID: 24187130]" . . "t" . "clofazimine" . "clofazimine" . . "f" . "eCF506" . "eCF506" . . "f" . "CCT245737" . "CCT245737" . . "f" . "pepcan-12" . "pepcan-12" . . "f" . "HS665" . "HS665" . . "f" . "compound 3 [PMID: 23134120]" . "compound 3 [PMID: 23134120]" . . "f" . "zyklophin" . "zyklophin" . . "f" . "LY2456302" . "LY2456302" . . "f" . "clazakizumab" . "clazakizumab" . . "t" . "olmutinib" . "olmutinib" . . "f" . "compound 9 [PMID: 26937601]" . "compound 9 [PMID: 26937601]" . . "f" . "compound 15b [PMID: 31811124]" . "compound 15b [PMID: 31811124]" . . "f" . "compound 4g [PMID: 2680437]" . "compound 4g [PMID: 2680437]" . . "f" . "asprosin" . "asprosin" . . "f" . "phenylarsine oxide" . "phenylarsine oxide" . . "f" . "BPS-804" . "BPS-804" . . "f" . "acumapimod" . "acumapimod" . . "f" . "nazartinib" . "nazartinib" . . "f" . "compound 13 [Chen et al., 2016]" . "compound 13 [Chen et al., 2016]" . . "f" . "G10 [PMID: 26646986]" . "G10 [PMID: 26646986]" . . "f" . "2'3'-cGAMP" . "2'3'-cGAMP" . . "f" . "EAI045" . "EAI045" . . "t" . "fremanezumab" . "fremanezumab" . . "f" . "zolbetuximab" . "zolbetuximab" . . "f" . "ulixertinib" . "ulixertinib" . . "f" . "semapimod" . "semapimod" . . "f" . "RapaLink-1" . "RapaLink-1" . . "f" . "briakinumab" . "briakinumab" . . "f" . "rotigaptide" . "rotigaptide" . . "t" . "benperidol" . "benperidol" . . "t" . "periciazine" . "periciazine" . . "t" . "ivosidenib" . "ivosidenib" . . "f" . "compstatin" . "compstatin" . . "f" . "AL-78898A" . "AL-78898A" . . "f" . "peptide Cp40 [PMID: 25982307]" . "peptide Cp40 [PMID: 25982307]" . . "f" . "azapro-3" . "azapro-3" . . "f" . "BAS-118" . "BAS-118" . . "f" . "compound 16 [PMID: 26794040]" . "compound 16 [PMID: 26794040]" . . "f" . "CC-885" . "CC-885" . . "f" . "lisofylline" . "lisofylline" . . "f" . "UCM1014" . "UCM1014" . . "f" . "compound 18c [PMID: 25901531]" . "compound 18c [PMID: 25901531]" . . "f" . "PNU-288034" . "PNU-288034" . . "f" . "PF-06767832" . "PF-06767832" . . "f" . "ravoxertinib" . "ravoxertinib" . . "f" . "compound 6j [PMID: 27219676]" . "compound 6j [PMID: 27219676]" . . "f" . "taranabant" . "taranabant" . . "f" . "compound 11 [PMID: 15261275]" . "compound 11 [PMID: 15261275]" . . "f" . "otenabant" . "otenabant" . . "f" . "surinabant" . "surinabant" . . "f" . "ibipinabant" . "ibipinabant" . . "f" . "nonabine" . "nonabine" . . "f" . "compound 4g [PMID: 22220592]" . "compound 4g [PMID: 22220592]" . . "f" . "GAT100" . "GAT100" . . "f" . "compound 27f [PMID: 25625617]" . "compound 27f [PMID: 25625617]" . . "f" . "ZCZ011" . "ZCZ011" . . "f" . "AGI-5198" . "AGI-5198" . . "f" . "TX1-85-1" . "TX1-85-1" . . "f" . "TX2-121-1" . "TX2-121-1" . . "f" . "EPZ020411" . "EPZ020411" . . "f" . "utomilumab" . "utomilumab" . . "f" . "vonlerolizumab" . "vonlerolizumab" . . "t" . "upadacitinib" . "upadacitinib" . . "f" . "vamorolone" . "vamorolone" . . "f" . "naquotinib" . "naquotinib" . . "f" . "rosiptor" . "rosiptor" . . "t" . "erenumab" . "erenumab" . . "f" . "BMX-IN-1" . "BMX-IN-1" . . "f" . "compound 86 [PMID: 26982234]" . "compound 86 [PMID: 26982234]" . . "f" . "compound 24 [PMID: 26987013 ]" . "compound 24 [PMID: 26987013 ]" . . "f" . "peptide 30 [PMID: 27019010]" . "peptide 30 [PMID: 27019010]" . . "f" . "GSK2245035" . "GSK2245035" . . "f" . "3M-002" . "3M-002" . . "f" . "F16357" . "F16357" . . "f" . "AZD8848" . "AZD8848" . . "f" . "AM7499" . "AM7499" . . "f" . "BIIB021" . "BIIB021" . . "f" . "SGC2085" . "SGC2085" . . "f" . "SNX0723" . "SNX0723" . . "f" . "luminespib" . "luminespib" . . "f" . "LFM-A13" . "LFM-A13" . . "f" . "GDC-0834" . "GDC-0834" . . "f" . "alarelin" . "alarelin" . . "f" . "CGI560" . "CGI560" . . "t" . "tirabrutinib" . "tirabrutinib" . . "f" . "CNX-774" . "CNX-774" . . "f" . "dihydrexidine" . "dihydrexidine" . . "f" . "AZ191" . "AZ191" . . "f" . "MPS1-IN-1" . "MPS1-IN-1" . . "t" . "setmelanotide" . "setmelanotide" . . "f" . "EPZ011989" . "EPZ011989" . . "f" . "leucomethylthioninium" . "leucomethylthioninium" . . "f" . "microtubule associated protein tau" . "microtubule associated protein tau" . . "f" . "toreforant" . "toreforant" . . "f" . "timapiprant" . "timapiprant" . . "f" . "tradipitant" . "tradipitant" . . "f" . "asimadoline" . "asimadoline" . . "f" . "deslorelin" . "deslorelin" . . "f" . "serlopitant" . "serlopitant" . . "f" . "fezakinumab" . "fezakinumab" . . "f" . "U-47700" . "U-47700" . . "f" . "TG6-129" . "TG6-129" . . "f" . "TP508" . "TP508" . . "f" . "histerelin" . "histerelin" . . "f" . "PRN694" . "PRN694" . . "f" . "PZM21" . "PZM21" . . "f" . "GSK1521498" . "GSK1521498" . . "t" . "abiraterone acetate" . "abiraterone acetate" . . "f" . "compound 14n [PMID: 25589934]" . "compound 14n [PMID: 25589934]" . . "t" . "siponimod" . "siponimod" . . "f" . "elezanumab" . "elezanumab" . . "f" . "FGF-23" . "FGF-23" . . "t" . "burosumab" . "burosumab" . . "f" . "brazikumab" . "brazikumab" . . "f" . "BU08028" . "BU08028" . . "t" . "emapalumab" . "emapalumab" . . "f" . "vunakizumab" . "vunakizumab" . . "f" . "lutikizumab" . "lutikizumab" . . "f" . "tolimidone" . "tolimidone" . . "f" . "LHVS" . "LHVS" . . "f" . "fenebrutinib" . "fenebrutinib" . . "f" . "compound 5a [PMID: 27536893]" . "compound 5a [PMID: 27536893]" . . "f" . "CHMFL-KIT-8140" . "CHMFL-KIT-8140" . . "t" . "lemborexant" . "lemborexant" . . "f" . "ACT-462206" . "ACT-462206" . . "f" . "TCS 1102" . "TCS 1102" . . "f" . "Nag 26" . "Nag 26" . . "f" . "MK-1064" . "MK-1064" . . "f" . "MK-3697" . "MK-3697" . . "f" . "seltorexant" . "seltorexant" . . "f" . "LUF6000" . "LUF6000" . . "f" . "LUF6096" . "LUF6096" . . "f" . "basimglurant" . "basimglurant" . . "f" . "lirilumab" . "lirilumab" . . "f" . "urelumab" . "urelumab" . . "f" . "SKA-20" . "SKA-20" . . "f" . "GW542573X" . "GW542573X" . . "f" . "CM-TPMF" . "CM-TPMF" . . "f" . "B-TPMF" . "B-TPMF" . . "f" . "NS13001" . "NS13001" . . "f" . "RA-2" . "RA-2" . . "f" . "NS6180" . "NS6180" . . "f" . "amiselimod" . "amiselimod" . . "t" . "ponesimod" . "ponesimod" . . "f" . "(B7-33)H2" . "(B7-33)H2" . . "t" . "netarsudil" . "netarsudil" . . "f" . "DMAT" . "DMAT" . . "f" . "hINSL5: A8-21 (T9R)" . "hINSL5: A8-21 (T9R)" . . "f" . "velsecorat" . "velsecorat" . . "f" . "abediterol" . "abediterol" . . "f" . "verinurad" . "verinurad" . . "f" . "CMF-019" . "CMF-019" . . "f" . "compound 17 [PMID: 24257095]" . "compound 17 [PMID: 24257095]" . . "f" . "TAK-715" . "TAK-715" . . "f" . "TAK-637" . "TAK-637" . . "f" . "CDP840" . "CDP840" . . "f" . "etrasimod" . "etrasimod" . . "f" . "AC-55541" . "AC-55541" . . "f" . "JQEZ5" . "JQEZ5" . . "f" . "RWJ-56423" . "RWJ-56423" . . "f" . "tigatuzumab" . "tigatuzumab" . . "f" . "YM-254890" . "YM-254890" . . "f" . "PXS-4728A" . "PXS-4728A" . . "f" . "FR900359" . "FR900359" . . "f" . "compound 3 [PMID: 27347366]" . "compound 3 [PMID: 27347366]" . . "f" . "AM6538" . "AM6538" . . "f" . "mucosal addressin cell adhesion molecule 1" . "mucosal addressin cell adhesion molecule 1" . . "f" . "ontamalimab" . "ontamalimab" . . "f" . "fertirelin" . "fertirelin" . . "f" . "KYT-0353" . "KYT-0353" . . "f" . "compound 5 [PMID: 17618114]" . "compound 5 [PMID: 17618114]" . . "f" . "compound 41 [PMID: 25000588]" . "compound 41 [PMID: 25000588]" . . "f" . "VER-246608" . "VER-246608" . . "f" . "MLCK inhibitor peptide 18" . "MLCK inhibitor peptide 18" . . "f" . "CX-6258" . "CX-6258" . . "f" . "harmine" . "harmine" . . "f" . "SAR405" . "SAR405" . . "f" . "DDR-IN-1" . "DDR-IN-1" . . "f" . "GNE-3511" . "GNE-3511" . . "f" . "GSK429286A" . "GSK429286A" . . "f" . "kb-NB142-70" . "kb-NB142-70" . . "f" . "BI605906" . "BI605906" . . "f" . "FMK" . "FMK" . . "f" . "CP466722" . "CP466722" . . "f" . "KU-0063794" . "KU-0063794" . . "f" . "WYE-354" . "WYE-354" . . "f" . "AZD7545" . "AZD7545" . . "f" . "BU72" . "BU72" . . "f" . "rimacalib" . "rimacalib" . . "f" . "CHIR-124" . "CHIR-124" . . "f" . "MELK-TI" . "MELK-TI" . . "f" . "LGB321" . "LGB321" . . "f" . "AC-98170" . "AC-98170" . . "f" . "BPKDi" . "BPKDi" . . "f" . "PF-670462" . "PF-670462" . . "f" . "TBBt" . "TBBt" . . "f" . "CX-5011" . "CX-5011" . . "f" . "CX-5279" . "CX-5279" . . "f" . "VTX-11e" . "VTX-11e" . . "f" . "IC-87114" . "IC-87114" . . "f" . "JNK inhibitor 9l" . "JNK inhibitor 9l" . . "f" . "VPS34-IN-1" . "VPS34-IN-1" . . "f" . "PIK-III" . "PIK-III" . . "f" . "BIX02189" . "BIX02189" . . "f" . "PF-562271" . "PF-562271" . . "f" . "YD-3" . "YD-3" . . "f" . "NVP-TAE 226" . "NVP-TAE 226" . . "f" . "OSI-930" . "OSI-930" . . "f" . "P32 [PMID: 27108698]" . "P32 [PMID: 27108698]" . . "f" . "P59 [PMID: 27108698]" . "P59 [PMID: 27108698]" . . "f" . "BMS-536924" . "BMS-536924" . . "f" . "CEP-33779" . "CEP-33779" . . "f" . "GSK143" . "GSK143" . . "f" . "ceralasertib" . "ceralasertib" . . "f" . "compound 36 [PMID: 21958547]" . "compound 36 [PMID: 21958547]" . . "f" . "HG-10-102-01" . "HG-10-102-01" . . "f" . "GNE-0877" . "GNE-0877" . . "t" . "ipragliflozin" . "ipragliflozin" . . "f" . "ML354" . "ML354" . . "t" . "tofogliflozin" . "tofogliflozin" . . "f" . "LRRK2-IN-1" . "LRRK2-IN-1" . . "f" . "SNS-314" . "SNS-314" . . "f" . "PHA-408" . "PHA-408" . . "f" . "MPI-0479605" . "MPI-0479605" . . "f" . "AZ3146" . "AZ3146" . . "f" . "NMS-P715" . "NMS-P715" . . "f" . "MLN0905" . "MLN0905" . . "f" . "Ro3280" . "Ro3280" . . "f" . "PP2" . "PP2" . . "f" . "BS-181" . "BS-181" . . "f" . "MRS4162" . "MRS4162" . . "f" . "XMD17-109" . "XMD17-109" . . "f" . "EMD638683" . "EMD638683" . . "f" . "tomaralimab" . "tomaralimab" . . "f" . "tarloxotinib" . "tarloxotinib" . . "f" . "MRS4174" . "MRS4174" . . "f" . "TH-4000E" . "TH-4000E" . . "t" . "bimekizumab" . "bimekizumab" . . "f" . "brensocatib" . "brensocatib" . . "f" . "VLX1570" . "VLX1570" . . "t" . "nusinersen" . "nusinersen" . . "f" . "Nexinhib20" . "Nexinhib20" . . "t" . "esflurbiprofen" . "esflurbiprofen" . . "t" . "itolizumab" . "itolizumab" . . "f" . "DAPK inhibitor 13" . "DAPK inhibitor 13" . . "f" . "leniolisib" . "leniolisib" . . "f" . "nemiralisib" . "nemiralisib" . . "f" . "citarinostat" . "citarinostat" . . "f" . "empesertib" . "empesertib" . . "f" . "MRS4183" . "MRS4183" . . "t" . "fruquintinib" . "fruquintinib" . . "f" . "miransertib" . "miransertib" . . "f" . "BMS-681" . "BMS-681" . . "f" . "CCR2-RA-[R]" . "CCR2-RA-[R]" . . "f" . "PF-06263276" . "PF-06263276" . . "f" . "vadastuximab talirine" . "vadastuximab talirine" . . "f" . "[3-iodo-Tyr6]U-II-(4-11) (human)" . "[3-iodo-Tyr6]U-II-(4-11) (human)" . . "f" . "JNJ-39319202" . "JNJ-39319202" . . "f" . "[Orn5]URP" . "[Orn5]URP" . . "f" . "[Cha6]U-II-(4-11)" . "[Cha6]U-II-(4-11)" . . "f" . "[125I]N-biotin-[Ahx0, Bpa3]U-II (human)" . "[125I]N-biotin-[Ahx0, Bpa3]U-II (human)" . . "f" . "Urolinin" . "Urolinin" . . "f" . "LV-2172" . "LV-2172" . . "f" . "compound 25e [PMID: 25875054]" . "compound 25e [PMID: 25875054]" . . "f" . "intepirdine" . "intepirdine" . . "f" . "PD81723" . "PD81723" . . "t" . "avacopan" . "avacopan" . . "f" . "DF2593A" . "DF2593A" . . "f" . "PKCθ inhibitor 14" . "PKCθ inhibitor 14" . . "f" . "compound 12 [PMID: 27448772]" . "compound 12 [PMID: 27448772]" . . "f" . "PQA-18" . "PQA-18" . . "f" . "AY77" . "AY77" . . "f" . "AC264613" . "AC264613" . . "f" . "L-732,138" . "L-732,138" . . "f" . "LY2940094" . "LY2940094" . . "f" . "navamepent" . "navamepent" . . "f" . "[125I]-orexin-A" . "[125I]-orexin-A" . . "f" . "[3H]-almorexant" . "[3H]-almorexant" . . "f" . "[3H]Cp-1" . "[3H]Cp-1" . . "f" . "[3H]EMPA" . "[3H]EMPA" . . "f" . "PSB-416" . "PSB-416" . . "t" . "adomeglivant" . "adomeglivant" . . "f" . "RgIA4" . "RgIA4" . . "f" . "ronacaleret" . "ronacaleret" . . "f" . "encaleret" . "encaleret" . . "f" . "ATF936" . "ATF936" . . "f" . "SB-423562" . "SB-423562" . . "t" . "deflazacort" . "deflazacort" . . "f" . "compound 8ic [PMID: 19081254]" . "compound 8ic [PMID: 19081254]" . . "f" . "WWL123" . "WWL123" . . "f" . "KML29" . "KML29" . . "f" . "GlcC14C18" . "GlcC14C18" . . "f" . "YM-244769" . "YM-244769" . . "f" . "histidyl-leucine" . "histidyl-leucine" . . "f" . "Lys[Z(NO2)]-Val" . "Lys[Z(NO2)]-Val" . . "f" . "arecaidine" . "arecaidine" . . "t" . "L-cycloserine" . "L-cycloserine" . . "t" . "D-cycloserine" . "D-cycloserine" . . "t" . "telotristat ethyl" . "telotristat ethyl" . . "f" . "SPM-354" . "SPM-354" . . "f" . "CYM-5541" . "CYM-5541" . . "f" . "compound 5c [PMID: 27894870]" . "compound 5c [PMID: 27894870]" . . "f" . "A-971432" . "A-971432" . . "f" . "BMS-817399" . "BMS-817399" . . "f" . "BMS-986020" . "BMS-986020" . . "f" . "ONO-7300243" . "ONO-7300243" . . "f" . "TCLPA5" . "TCLPA5" . . "f" . "β-Ala-Lys-AMCA" . "β-Ala-Lys-AMCA" . . "f" . "His-Leu-lopinavir" . "His-Leu-lopinavir" . . "f" . "alafosfalin" . "alafosfalin" . . "f" . "γ-iE-DAP" . "γ-iE-DAP" . . "f" . "glycyl-sarcosine" . "glycyl-sarcosine" . . "f" . "MDP-rhodamine" . "MDP-rhodamine" . . "f" . "Tri-DAP" . "Tri-DAP" . . "f" . "C12-iE-DAP" . "C12-iE-DAP" . . "f" . "SB-3CT" . "SB-3CT" . . "f" . "andecaliximab" . "andecaliximab" . . "f" . "ACT-389949" . "ACT-389949" . . "f" . "solabegron" . "solabegron" . . "f" . "MLKL compound 1" . "MLKL compound 1" . . "f" . "SIRT1 activator 3" . "SIRT1 activator 3" . . "f" . "SRT2104" . "SRT2104" . . "f" . "CHMFL-BTK-11" . "CHMFL-BTK-11" . . "f" . "atacicept" . "atacicept" . . "f" . "blisibimod" . "blisibimod" . . "f" . "N-methyl-2-pyrrolidone" . "N-methyl-2-pyrrolidone" . . "f" . "MI-503" . "MI-503" . . "f" . "GSK8814" . "GSK8814" . . "f" . "TP-472" . "TP-472" . . "f" . "OF-1" . "OF-1" . . "f" . "BAY-299" . "BAY-299" . . "f" . "A-395" . "A-395" . . "f" . "LLY-283" . "LLY-283" . . "f" . "TP-064" . "TP-064" . . "f" . "MS049" . "MS049" . . "f" . "DU172" . "DU172" . . "f" . "CO" . "CO" . . "f" . "H2S" . "H2S" . . "t" . "SNP" . "SNP" . . "f" . "otenaproxesul" . "otenaproxesul" . . "f" . "CORM-2" . "CORM-2" . . "t" . "relatlimab" . "relatlimab" . . "t" . "atracurium" . "atracurium" . . "f" . "AF-906" . "AF-906" . . "t" . "gefapixant" . "gefapixant" . . "f" . "5-BDBD" . "5-BDBD" . . "f" . "PSB-12062" . "PSB-12062" . . "f" . "BX-430" . "BX-430" . . "f" . "GSK2656157" . "GSK2656157" . . "f" . "NF770" . "NF770" . . "f" . "NF778" . "NF778" . . "f" . "mizagliflozin" . "mizagliflozin" . . "f" . "GNF362" . "GNF362" . . "f" . "prexasertib" . "prexasertib" . . "f" . "compound 1e [PMID: 27285276]" . "compound 1e [PMID: 27285276]" . . "f" . "naproxcinod" . "naproxcinod" . . "f" . "nitrosoprodenafil" . "nitrosoprodenafil" . . "f" . "Hm1a" . "Hm1a" . . "t" . "belumosudil" . "belumosudil" . . "f" . "GSK2982772" . "GSK2982772" . . "f" . "example 36 [WO2016177845]" . "example 36 [WO2016177845]" . . "f" . "TK05" . "TK05" . . "f" . "IgE heavy chain" . "IgE heavy chain" . . "f" . "PF-06372222" . "PF-06372222" . . "f" . "TC114" . "TC114" . . "f" . "ritlecitinib" . "ritlecitinib" . . "f" . "AZ3451" . "AZ3451" . . "f" . "ziritaxestat" . "ziritaxestat" . . "f" . "PFK15" . "PFK15" . . "f" . "eganelisib" . "eganelisib" . . "f" . "3 alpha-aminocholestane" . "3 alpha-aminocholestane" . . "f" . "PF-06840003" . "PF-06840003" . . "f" . "(R)-ZINC-3573" . "(R)-ZINC-3573" . . "f" . "TAN-67" . "TAN-67" . . "f" . "QWF" . "QWF" . . "f" . "ASP4058" . "ASP4058" . . "f" . "C391" . "C391" . . "f" . "eCF309" . "eCF309" . . "f" . "Bis1" . "Bis1" . . "f" . "adropin" . "adropin" . . "f" . "NNC0640" . "NNC0640" . . "f" . "SR8185" . "SR8185" . . "f" . "compound II [PMID: 21329883]" . "compound II [PMID: 21329883]" . . "f" . "MPI-0485520" . "MPI-0485520" . . "f" . "ARN-3236" . "ARN-3236" . . "f" . "HsTX1[R14A]" . "HsTX1[R14A]" . . "f" . "psora-4" . "psora-4" . . "f" . "ML324" . "ML324" . . "f" . "AZ8838" . "AZ8838" . . "f" . "AZ7188" . "AZ7188" . . "f" . "AMG3054" . "AMG3054" . . "f" . "Peptide 5 [PMID: 28562585]" . "Peptide 5 [PMID: 28562585]" . . "f" . "enoblituzumab" . "enoblituzumab" . . "f" . "ONX-0801" . "ONX-0801" . . "t" . "tislelizumab" . "tislelizumab" . . "f" . "ICOS ligand" . "ICOS ligand" . . "f" . "galectin 9" . "galectin 9" . . "f" . "oleclumab" . "oleclumab" . . "f" . "remtolumab" . "remtolumab" . . "f" . "rovelizumab" . "rovelizumab" . . "f" . "RG7112" . "RG7112" . . "f" . "mivavotinib" . "mivavotinib" . . "t" . "catequentinib" . "catequentinib" . . "t" . "betrixaban" . "betrixaban" . . "f" . "BIA 10-2639" . "BIA 10-2639" . . "f" . "OSE-127" . "OSE-127" . . "t" . "clodronic acid" . "clodronic acid" . . "f" . "programmed cell death 1 ligand 1" . "programmed cell death 1 ligand 1" . . "f" . "BMS-202" . "BMS-202" . . "f" . "BMS-1166" . "BMS-1166" . . "f" . "compound 76 [PMID: 28657314]" . "compound 76 [PMID: 28657314]" . . "f" . "CBS-3595" . "CBS-3595" . . "f" . "ER-27319" . "ER-27319" . . "f" . "AM11542" . "AM11542" . . "f" . "AM841" . "AM841" . . "f" . "crotedumab" . "crotedumab" . . "f" . "ALT-803" . "ALT-803" . . "f" . "lorecivivint" . "lorecivivint" . . "f" . "POM2-C-HMBP" . "POM2-C-HMBP" . . "f" . "mardepodect" . "mardepodect" . . "f" . "iberdomide" . "iberdomide" . . "t" . "delgocitinib" . "delgocitinib" . . "f" . "methylmalonic acid" . "methylmalonic acid" . . "f" . "(S)-chlorosuccinic acid" . "(S)-chlorosuccinic acid" . . "f" . "asivatrep" . "asivatrep" . . "f" . "foliglurax" . "foliglurax" . . "f" . "GSK3050002" . "GSK3050002" . . "f" . "gimsilumab" . "gimsilumab" . . "f" . "K-8794" . "K-8794" . . "f" . "rovazolac" . "rovazolac" . . "t" . "trilaciclib" . "trilaciclib" . . "f" . "ZY15557" . "ZY15557" . . "f" . "compound 3 [PMID: 28603634]" . "compound 3 [PMID: 28603634]" . . "f" . "FGF-3" . "FGF-3" . . "f" . "maleic acid" . "maleic acid" . . "f" . "cis-epoxysuccinic acid" . "cis-epoxysuccinic acid" . . "f" . "cis-1,2-cyclopropanedicarboxylic acid" . "cis-1,2-cyclopropanedicarboxylic acid" . . "t" . "latanoprostene bunod" . "latanoprostene bunod" . . "f" . "inavolisib" . "inavolisib" . . "f" . "A77636" . "A77636" . . "f" . "ozoralizumab" . "ozoralizumab" . . "f" . "AMG-8718" . "AMG-8718" . . "f" . "NSC157058" . "NSC157058" . . "f" . "rontalizumab" . "rontalizumab" . . "f" . "FGF-10" . "FGF-10" . . "f" . "TCDD" . "TCDD" . . "f" . "RIPA-56" . "RIPA-56" . . "f" . "DSM265" . "DSM265" . . "f" . "TAM16" . "TAM16" . . "f" . "compound 47 [PMID: 28737909]" . "compound 47 [PMID: 28737909]" . . "f" . "compound 34c [PMID: 24641010]" . "compound 34c [PMID: 24641010]" . . "f" . "BRD3444" . "BRD3444" . . "f" . "fosdagrocorat" . "fosdagrocorat" . . "f" . "dagrocorat" . "dagrocorat" . . "f" . "GSK866" . "GSK866" . . "f" . "mapracorat" . "mapracorat" . . "f" . "Takinib" . "Takinib" . . "f" . "varespladib" . "varespladib" . . "t" . "cevimeline" . "cevimeline" . . "f" . "PF-04957325" . "PF-04957325" . . "f" . "GNE-3500" . "GNE-3500" . . "f" . "GSK2981278" . "GSK2981278" . . "t" . "pyrotinib" . "pyrotinib" . . "f" . "JFD00064" . "JFD00064" . . "f" . "KA1010" . "KA1010" . . "f" . "BML-281" . "BML-281" . . "f" . "MAB92" . "MAB92" . . "f" . "PF-06426779" . "PF-06426779" . . "f" . "zimlovisertib" . "zimlovisertib" . . "f" . "compound 28 [PMID: 28671460]" . "compound 28 [PMID: 28671460]" . . "f" . "compound 8c [PMID: 28760529]" . "compound 8c [PMID: 28760529]" . . "f" . "FX1" . "FX1" . . "f" . "compound 1 [PMID: 28611375]" . "compound 1 [PMID: 28611375]" . . "f" . "olaptesed pegol" . "olaptesed pegol" . . "f" . "derivative 17 [Nakahata et al., 2018]" . "derivative 17 [Nakahata et al., 2018]" . . "f" . "andrographolide" . "andrographolide" . . "t" . "proguanil" . "proguanil" . . "f" . "cibinetide" . "cibinetide" . . "f" . "AZD2098" . "AZD2098" . . "f" . "AZD1678" . "AZD1678" . . "f" . "GW766994" . "GW766994" . . "f" . "compound 13c [PMID: 20684591]" . "compound 13c [PMID: 20684591]" . . "f" . "compound 2g [PMID: 27390066]" . "compound 2g [PMID: 27390066]" . . "f" . "compound 3v [PMID: 27390066]" . "compound 3v [PMID: 27390066]" . . "f" . "compound 12a [PMID: 29031075]" . "compound 12a [PMID: 29031075]" . . "f" . "HpARI" . "HpARI" . . "t" . "tapinarof" . "tapinarof" . . "f" . "GI254023X" . "GI254023X" . . "f" . "RIPK2 inhibitor 8" . "RIPK2 inhibitor 8" . . "f" . "MK-0429" . "MK-0429" . . "f" . "compound III [PMID: 24045148]" . "compound III [PMID: 24045148]" . . "f" . "compound 12p [Larson et al., 2017]" . "compound 12p [Larson et al., 2017]" . . "f" . "KBP-7018" . "KBP-7018" . . "f" . "STK16-IN-1" . "STK16-IN-1" . . "f" . "BAY 61-3606" . "BAY 61-3606" . . "f" . "LY2389575" . "LY2389575" . . "f" . "BsAb (CD89-CD20)" . "BsAb (CD89-CD20)" . . "t" . "atovaquone" . "atovaquone" . . "f" . "oclacitinib" . "oclacitinib" . . "f" . "solcitinib" . "solcitinib" . . "f" . "CEP-37440" . "CEP-37440" . . "f" . "bufuralol" . "bufuralol" . . "f" . "compound 5 [PMID: 28038940]" . "compound 5 [PMID: 28038940]" . . "f" . "compound 25 [PMID: 28038940]" . "compound 25 [PMID: 28038940]" . . "f" . "CX549" . "CX549" . . "f" . "tubastatin A" . "tubastatin A" . . "f" . "VU6010608" . "VU6010608" . . "f" . "isunakinra" . "isunakinra" . . "f" . "AM2201" . "AM2201" . . "f" . "JWH-018" . "JWH-018" . . "f" . "linrodostat" . "linrodostat" . . "f" . "OSM-S-38" . "OSM-S-38" . . "f" . "CPUY192018" . "CPUY192018" . . "t" . "tibolone" . "tibolone" . . "f" . "compound 5e [PMID: 28580438]" . "compound 5e [PMID: 28580438]" . . "f" . "H. polygyrus TGF-β mimic" . "H. polygyrus TGF-β mimic" . . "t" . "atogepant" . "atogepant" . . "f" . "BI-6901" . "BI-6901" . . "f" . "BI 653048" . "BI 653048" . . "f" . "BI 665915" . "BI 665915" . . "f" . "BI-1935" . "BI-1935" . . "f" . "SUVN-G3031" . "SUVN-G3031" . . "f" . "GSK2256294" . "GSK2256294" . . "f" . "BI-1950" . "BI-1950" . . "f" . "BIRT 377" . "BIRT 377" . . "f" . "cipargamin" . "cipargamin" . . "f" . "benzodrocortisone" . "benzodrocortisone" . . "t" . "tafenoquine" . "tafenoquine" . . "f" . "(+)-SJ733" . "(+)-SJ733" . . "t" . "semaglutide" . "semaglutide" . . "f" . "tropifexor" . "tropifexor" . . "f" . "KT-109" . "KT-109" . . "f" . "MMV048" . "MMV048" . . "f" . "mocravimod" . "mocravimod" . . "f" . "dezapelisib" . "dezapelisib" . . "f" . "olamkicept" . "olamkicept" . . "f" . "LEI105" . "LEI105" . . "f" . "HPN" . "HPN" . . "f" . "trodusquemine" . "trodusquemine" . . "f" . "liver enriched antimicrobial peptide 2" . "liver enriched antimicrobial peptide 2" . . "f" . "growth differentiation factor 15" . "growth differentiation factor 15" . . "t" . "iguratimod" . "iguratimod" . . "f" . "M5717" . "M5717" . . "f" . "tectorigenin" . "tectorigenin" . . "f" . "fosmidomycin" . "fosmidomycin" . . "f" . "P218" . "P218" . . "f" . "CID2745687" . "CID2745687" . . "f" . "compound 83 [PMID: 23888932]" . "compound 83 [PMID: 23888932]" . . "t" . "lodoxamide" . "lodoxamide" . . "t" . "emicizumab" . "emicizumab" . . "t" . "macimorelin" . "macimorelin" . . "f" . "NDT9513727" . "NDT9513727" . . "f" . "AT-403" . "AT-403" . . "f" . "BMS-986187" . "BMS-986187" . . "f" . "6E11" . "6E11" . . "f" . "necrostatin-1" . "necrostatin-1" . . "f" . "necrostatin-1s" . "necrostatin-1s" . . "f" . "evobrutinib" . "evobrutinib" . . "f" . "PXS-4681A" . "PXS-4681A" . . "f" . "mofegiline" . "mofegiline" . . "f" . "PBT-3" . "PBT-3" . . "f" . "bifikafusp alfa" . "bifikafusp alfa" . . "f" . "onfekafusp alfa" . "onfekafusp alfa" . . "f" . "MP13" . "MP13" . . "t" . "camrelizumab" . "camrelizumab" . . "f" . "MP1104" . "MP1104" . . "f" . "NNC1702" . "NNC1702" . . "f" . "compound 9 [PMID: 26006010]" . "compound 9 [PMID: 26006010]" . . "f" . "example 31 (24) [WO2012005227]" . "example 31 (24) [WO2012005227]" . . "f" . "conteltinib" . "conteltinib" . . "t" . "pecazine" . "pecazine" . . "f" . "MK6-83" . "MK6-83" . . "f" . "lanraplenib" . "lanraplenib" . . "f" . "mavelertinib" . "mavelertinib" . . "f" . "peposertib" . "peposertib" . . "t" . "pemigatinib" . "pemigatinib" . . "f" . "roblitinib" . "roblitinib" . . "t" . "surufatinib" . "surufatinib" . . "f" . "tepilamide fumarate" . "tepilamide fumarate" . . "f" . "mosedipimod" . "mosedipimod" . . "f" . "lenabasum" . "lenabasum" . . "f" . "MLS000536924" . "MLS000536924" . . "f" . "enexasogaol" . "enexasogaol" . . "f" . "elismetrep" . "elismetrep" . . "f" . "diroleuton" . "diroleuton" . . "f" . "difamilast" . "difamilast" . . "f" . "PRN1371" . "PRN1371" . . "t" . "efgartigimod alfa" . "efgartigimod alfa" . . "f" . "cusatuzumab" . "cusatuzumab" . . "f" . "TY-51469" . "TY-51469" . . "f" . "compound 7f [PMID: 29283260]" . "compound 7f [PMID: 29283260]" . . "f" . "α-NETA" . "α-NETA" . . "f" . "compound 2 [PMID: 31932225]" . "compound 2 [PMID: 31932225]" . . "f" . "tethered chemerin 9" . "tethered chemerin 9" . . "f" . "derazantinib" . "derazantinib" . . "t" . "futibatinib" . "futibatinib" . . "f" . "zoligratinib" . "zoligratinib" . . "f" . "DL-175" . "DL-175" . . "f" . "rogaratinib" . "rogaratinib" . . "f" . "PIM447" . "PIM447" . . "f" . "BI-2545" . "BI-2545" . . "f" . "vamotinib" . "vamotinib" . . "f" . "compound 25c [PMID: 23747811]" . "compound 25c [PMID: 23747811]" . . "f" . "compound 7f [PMID: 29191554]" . "compound 7f [PMID: 29191554]" . . "f" . "CU-CPT8m" . "CU-CPT8m" . . "f" . "(S)-23 [PMID: 27933945]" . "(S)-23 [PMID: 27933945]" . . "f" . "compound 37 [PMID: 29193967]" . "compound 37 [PMID: 29193967]" . . "f" . "darigabat" . "darigabat" . . "f" . "Sch.336" . "Sch.336" . . "f" . "seletalisib" . "seletalisib" . . "f" . "rozanolixizumab" . "rozanolixizumab" . . "f" . "CFZ533" . "CFZ533" . . "f" . "SAR-20347" . "SAR-20347" . . "f" . "imaprelimab" . "imaprelimab" . . "f" . "abrezekimab" . "abrezekimab" . . "t" . "sutimlimab" . "sutimlimab" . . "f" . "GYY4137 parent molecule" . "GYY4137 parent molecule" . . "f" . "butoxamine" . "butoxamine" . . "f" . "calpeptin" . "calpeptin" . . "f" . "compound 2f [Jiang et al., 2018]" . "compound 2f [Jiang et al., 2018]" . . "f" . "GSK-3β inhibitor 3 [PMID: 25845281]" . "GSK-3β inhibitor 3 [PMID: 25845281]" . . "f" . "AZD9567" . "AZD9567" . . "f" . "LUF5962" . "LUF5962" . . "f" . "CCT241161" . "CCT241161" . . "f" . "GSK1059615" . "GSK1059615" . . "f" . "CCT196969" . "CCT196969" . . "t" . "levosalbutamol" . "levosalbutamol" . . "f" . "Yoda1" . "Yoda1" . . "f" . "elenbecestat" . "elenbecestat" . . "f" . "compound 11 [PMID: 29442501]" . "compound 11 [PMID: 29442501]" . . "f" . "phelorphan" . "phelorphan" . . "f" . "RO5508887" . "RO5508887" . . "f" . "NB-360" . "NB-360" . . "f" . "Compound 12 [PMID:28626832]" . "Compound 12 [PMID:28626832]" . . "f" . "cenerimod" . "cenerimod" . . "f" . "compound 3b [PMID:28943244]" . "compound 3b [PMID:28943244]" . . "f" . "RU1968" . "RU1968" . . "f" . "retaspimycin hydrochloride" . "retaspimycin hydrochloride" . . "f" . "alvespimycin" . "alvespimycin" . . "f" . "geldanamycin" . "geldanamycin" . . "f" . "sulfanegen" . "sulfanegen" . . "f" . "PF-06684511" . "PF-06684511" . . "f" . "[18F]PF-06684511" . "[18F]PF-06684511" . . "f" . "rac-BHFF" . "rac-BHFF" . . "f" . "compound 5b [PMID: 29457898]" . "compound 5b [PMID: 29457898]" . . "f" . "tanzisertib" . "tanzisertib" . . "f" . "CZ415" . "CZ415" . . "f" . "UFP-505" . "UFP-505" . . "f" . "LIMKi3" . "LIMKi3" . . "f" . "SR7826" . "SR7826" . . "t" . "ozagrel" . "ozagrel" . . "f" . "merestinib" . "merestinib" . . "f" . "compound 19a [PMID: 26506089]" . "compound 19a [PMID: 26506089]" . . "f" . "agatolimod" . "agatolimod" . . "f" . "CH-4051" . "CH-4051" . . "f" . "EBI-2511" . "EBI-2511" . . "f" . "CR6086" . "CR6086" . . "f" . "mirikizumab" . "mirikizumab" . . "f" . "fontolizumab" . "fontolizumab" . . "f" . "Galapagos MAPKAPK5 inhibitor D" . "Galapagos MAPKAPK5 inhibitor D" . . "f" . "I-191" . "I-191" . . "f" . "GW274150" . "GW274150" . . "f" . "GW406381" . "GW406381" . . "f" . "LX2931" . "LX2931" . . "f" . "MK-0359" . "MK-0359" . . "f" . "kelatorphan" . "kelatorphan" . . "f" . "MK-0873" . "MK-0873" . . "f" . "pateclizumab" . "pateclizumab" . . "f" . "petesicatib" . "petesicatib" . . "f" . "rabeximod" . "rabeximod" . . "f" . "ML300" . "ML300" . . "f" . "BMS-986142" . "BMS-986142" . . "f" . "GS-458967" . "GS-458967" . . "f" . "apilimod" . "apilimod" . . "f" . "vidofludimus" . "vidofludimus" . . "f" . "revamilast" . "revamilast" . . "t" . "zanubrutinib" . "zanubrutinib" . . "f" . "poseltinib" . "poseltinib" . . "f" . "olafertinib" . "olafertinib" . . "f" . "tregalizumab" . "tregalizumab" . . "f" . "BMS-986120" . "BMS-986120" . . "f" . "TAK-828F" . "TAK-828F" . . "t" . "lofexidine" . "lofexidine" . . "f" . "branebrutinib" . "branebrutinib" . . "f" . "pixatimod" . "pixatimod" . . "f" . "GNE-8505" . "GNE-8505" . . "f" . "PSB-17365" . "PSB-17365" . . "f" . "compound 3a [PMID: 18606542]" . "compound 3a [PMID: 18606542]" . . "f" . "VUF14738" . "VUF14738" . . "f" . "VUF14862" . "VUF14862" . . "f" . "ONO-9054" . "ONO-9054" . . "f" . "P4pal-10" . "P4pal-10" . . "f" . "RAG8" . "RAG8" . . "f" . "pelubiprofen" . "pelubiprofen" . . "f" . "tetomilast" . "tetomilast" . . "f" . "UFM24" . "UFM24" . . "f" . "H4 antagonist 48" . "H4 antagonist 48" . . "f" . "H05" . "H05" . . "f" . "TIQ-15" . "TIQ-15" . . "f" . "compound 46c [PMID: 29350534]" . "compound 46c [PMID: 29350534]" . . "f" . "BMS-962212" . "BMS-962212" . . "f" . "cortistatin A" . "cortistatin A" . . "f" . "JH-VIII-49" . "JH-VIII-49" . . "f" . "JH-XI-10-02" . "JH-XI-10-02" . . "f" . "MDG 548" . "MDG 548" . . "f" . "RP-101075" . "RP-101075" . . "f" . "MIDD0301" . "MIDD0301" . . "f" . "marbostat-100" . "marbostat-100" . . "f" . "pyrazolopyrimidine 4n" . "pyrazolopyrimidine 4n" . . "f" . "talabostat" . "talabostat" . . "f" . "compound 9 [PMID: 20718420]" . "compound 9 [PMID: 20718420]" . . "t" . "esaxerenone" . "esaxerenone" . . "f" . "compound 1 [Vakkeel et al., 2018]" . "compound 1 [Vakkeel et al., 2018]" . . "f" . "GLP-2 analogue 10" . "GLP-2 analogue 10" . . "f" . "Pyr10" . "Pyr10" . . "f" . "MPPA" . "MPPA" . . "f" . "inhibitor 32 [PMID: 29620892]" . "inhibitor 32 [PMID: 29620892]" . . "f" . "AH10-7" . "AH10-7" . . "f" . "praliciguat" . "praliciguat" . . "f" . "SAR7334" . "SAR7334" . . "f" . "uracil 20" . "uracil 20" . . "f" . "semaphorin 3A" . "semaphorin 3A" . . "f" . "samuraciclib" . "samuraciclib" . . "f" . "EG01377" . "EG01377" . . "f" . "compound 8i [PMID: 22765894]" . "compound 8i [PMID: 22765894]" . . "t" . "teneligliptin" . "teneligliptin" . . "f" . "tenalisib" . "tenalisib" . . "f" . "ONO-8590580" . "ONO-8590580" . . "f" . "GDC-0623" . "GDC-0623" . . "t" . "savolitinib" . "savolitinib" . . "f" . "CH4987655" . "CH4987655" . . "f" . "TAK-733" . "TAK-733" . . "f" . "allitinib" . "allitinib" . . "t" . "flumbatinib" . "flumbatinib" . . "f" . "TAS05567" . "TAS05567" . . "f" . "ilorasertib" . "ilorasertib" . . "f" . "pamapimod" . "pamapimod" . . "f" . "panulisib" . "panulisib" . . "f" . "pexmetinib" . "pexmetinib" . . "f" . "vanoxerine" . "vanoxerine" . . "f" . "selatinib" . "selatinib" . . "f" . "sitravatinib" . "sitravatinib" . . "f" . "tafetinib" . "tafetinib" . . "t" . "tucatinib" . "tucatinib" . . "f" . "GSK2833503A" . "GSK2833503A" . . "f" . "voruciclib" . "voruciclib" . . "f" . "amcasertib" . "amcasertib" . . "f" . "balamapimod" . "balamapimod" . . "f" . "bentamapimod" . "bentamapimod" . . "f" . "cenisertib" . "cenisertib" . . "f" . "puquitinib" . "puquitinib" . . "f" . "xiliertinib" . "xiliertinib" . . "f" . "henatinib" . "henatinib" . . "f" . "compound 7c [PMID: 22041175]" . "compound 7c [PMID: 22041175]" . . "f" . "polygodial" . "polygodial" . . "f" . "setanaxib" . "setanaxib" . . "f" . "NSC 780521" . "NSC 780521" . . "f" . "compound 87 [PMID: 20942471]" . "compound 87 [PMID: 20942471]" . . "f" . "GKT136901" . "GKT136901" . . "f" . "DMAMCL" . "DMAMCL" . . "f" . "compound 130 [PMID: 29157600]" . "compound 130 [PMID: 29157600]" . . "f" . "compound 7d [PMID: 29672049]" . "compound 7d [PMID: 29672049]" . . "f" . "pCXCL8-1aa" . "pCXCL8-1aa" . . "f" . "dimethyl itaconate" . "dimethyl itaconate" . . "f" . "LW106" . "LW106" . . "f" . "larixyl acetate" . "larixyl acetate" . . "f" . "AZD0156" . "AZD0156" . . "f" . "PF-06751979" . "PF-06751979" . . "f" . "MM-433593" . "MM-433593" . . "f" . "WAY-316606" . "WAY-316606" . . "f" . "ganaplacide" . "ganaplacide" . . "f" . "compound 31 [PMID: 29968758]" . "compound 31 [PMID: 29968758]" . . "f" . "anatumomab mafenatox" . "anatumomab mafenatox" . . "f" . "naptumomab estafenatox" . "naptumomab estafenatox" . . "f" . "naratuximab emtansine" . "naratuximab emtansine" . . "f" . "lilotomab" . "lilotomab" . . "f" . "ISO-1" . "ISO-1" . . "f" . "otlertuzumab" . "otlertuzumab" . . "t" . "primaquine" . "primaquine" . . "t" . "avatrombopag" . "avatrombopag" . . "f" . "artemisinin" . "artemisinin" . . "f" . "CIM0216" . "CIM0216" . . "t" . "artemether" . "artemether" . . "t" . "artesunate" . "artesunate" . . "t" . "artenimol" . "artenimol" . . "f" . "artemotil" . "artemotil" . . "f" . "cycloguanil" . "cycloguanil" . . "f" . "DX-2507" . "DX-2507" . . "f" . "compound 3 [PMID: 29633584]" . "compound 3 [PMID: 29633584]" . . "f" . "compound 20f [PMID: 28520415]" . "compound 20f [PMID: 28520415]" . . "t" . "trifarotene" . "trifarotene" . . "f" . "MJN110" . "MJN110" . . "f" . "atabecestat" . "atabecestat" . . "f" . "NIK SMI1" . "NIK SMI1" . . "f" . "compound 3a [Pipionne et al, 2018]" . "compound 3a [Pipionne et al, 2018]" . . "f" . "squarunkin A" . "squarunkin A" . . "f" . "ML193" . "ML193" . . "f" . "AM6545" . "AM6545" . . "f" . "naringenin" . "naringenin" . . "f" . "SH045" . "SH045" . . "t" . "lumefantrine" . "lumefantrine" . . "f" . "compound 11h [PMID: 29808961]" . "compound 11h [PMID: 29808961]" . . "f" . "artefenomel" . "artefenomel" . . "f" . "compound 17l [PMID: 26288691]" . "compound 17l [PMID: 26288691]" . . "f" . "ferroquine" . "ferroquine" . . "f" . "compound 27 [PMID: 29775310]" . "compound 27 [PMID: 29775310]" . . "f" . "MK-8353" . "MK-8353" . . "f" . "temuterkib" . "temuterkib" . . "f" . "KO-947" . "KO-947" . . "f" . "tovorafenib" . "tovorafenib" . . "f" . "TIC10" . "TIC10" . . "f" . "PF-04634817" . "PF-04634817" . . "f" . "PF‐06526290" . "PF‐06526290" . . "f" . "macrophage migration inhibitory factor" . "macrophage migration inhibitory factor" . . "f" . "compound 15 [PMID: 25699151]" . "compound 15 [PMID: 25699151]" . . "f" . "Orita-13" . "Orita-13" . . "f" . "MIF inhibitor 3bb" . "MIF inhibitor 3bb" . . "f" . "fluorescent MIF ligand B" . "fluorescent MIF ligand B" . . "f" . "compound 16d [Tao et al., 2009]" . "compound 16d [Tao et al., 2009]" . . "f" . "compound 11 [PMID: 26431428]" . "compound 11 [PMID: 26431428]" . . "f" . "isosakuranetin" . "isosakuranetin" . . "t" . "abrocitinib" . "abrocitinib" . . "f" . "compound 29 [Moslin et al., 2017]" . "compound 29 [Moslin et al., 2017]" . . "f" . "rilzabrutinib" . "rilzabrutinib" . . "f" . "BMS-509744" . "BMS-509744" . . "f" . "dual BRD4/PLK1 inhibitor 23" . "dual BRD4/PLK1 inhibitor 23" . . "f" . "GNE-4997" . "GNE-4997" . . "t" . "elobixibat" . "elobixibat" . . "f" . "AZD3458" . "AZD3458" . . "f" . "MRS4458" . "MRS4458" . . "f" . "MRS4478" . "MRS4478" . . "f" . "PF-05105679" . "PF-05105679" . . "f" . "gusacitinib" . "gusacitinib" . . "f" . "compound 52 [PMID: 28541707]" . "compound 52 [PMID: 28541707]" . . "f" . "triple modulator 10 [PMID: 29878767]" . "triple modulator 10 [PMID: 29878767]" . . "f" . "GNE-131" . "GNE-131" . . "f" . "compound 6 [PMID: 30125504]" . "compound 6 [PMID: 30125504]" . . "f" . "KX2-361" . "KX2-361" . . "f" . "compound 17 [PMID: 29741897]" . "compound 17 [PMID: 29741897]" . . "f" . "KS 176" . "KS 176" . . "f" . "Ko 143" . "Ko 143" . . "f" . "Fumitremorgin C" . "Fumitremorgin C" . . "f" . "VU0483605" . "VU0483605" . . "t" . "vericiguat" . "vericiguat" . . "f" . "dolcanatide" . "dolcanatide" . . "f" . "cannabidiol-dimethylheptyl (-)-CBD-DMH" . "cannabidiol-dimethylheptyl (-)-CBD-DMH" . . "f" . "AbGn-168H" . "AbGn-168H" . . "f" . "selectin P ligand" . "selectin P ligand" . . "f" . "supratinib" . "supratinib" . . "f" . "compound 55 [PMID: 29889526]" . "compound 55 [PMID: 29889526]" . . "f" . "MMV024101" . "MMV024101" . . "t" . "amodiaquine" . "amodiaquine" . . "t" . "halofantrine" . "halofantrine" . . "f" . "DSM421" . "DSM421" . . "f" . "acalisib" . "acalisib" . . "f" . "ELQ-300" . "ELQ-300" . . "f" . "ACT-451840" . "ACT-451840" . . "f" . "LRE1" . "LRE1" . . "f" . "MMV253" . "MMV253" . . "t" . "piperaquine" . "piperaquine" . . "f" . "VCE-004.3" . "VCE-004.3" . . "f" . "RTI-13951-33" . "RTI-13951-33" . . "t" . "lusutrombopag" . "lusutrombopag" . . "t" . "pralsetinib" . "pralsetinib" . . "f" . "IMB-808" . "IMB-808" . . "t" . "selinexor" . "selinexor" . . "f" . "eltanexor" . "eltanexor" . . "f" . "compound 5 [PMID: 29579323]" . "compound 5 [PMID: 29579323]" . . "f" . "compound 6 [PMID: 29579323]" . "compound 6 [PMID: 29579323]" . . "f" . "carfentanil" . "carfentanil" . . "f" . "Jedi2" . "Jedi2" . . "f" . "CRAC channel inhibitor 1 [PMID: 26256403]" . "CRAC channel inhibitor 1 [PMID: 26256403]" . . "f" . "CRAC channel inhibitor 5b [PMID: 26256403]" . "CRAC channel inhibitor 5b [PMID: 26256403]" . . "f" . "setogepram" . "setogepram" . . "f" . "abivertinib" . "abivertinib" . . "f" . "cintirorgon" . "cintirorgon" . . "f" . "indolo[3,2-b]carbazole" . "indolo[3,2-b]carbazole" . . "f" . "indole-3-carbinol" . "indole-3-carbinol" . . "f" . "ERW1041E" . "ERW1041E" . . "f" . "R283" . "R283" . . "f" . "Vm24" . "Vm24" . . "f" . "ML2-SA1" . "ML2-SA1" . . "f" . "aminopyridine 2" . "aminopyridine 2" . . "f" . "verdiperstat" . "verdiperstat" . . "f" . "PF-06282999" . "PF-06282999" . . "f" . "sphingomyelin synthase 2 inhibitor 15w" . "sphingomyelin synthase 2 inhibitor 15w" . . "f" . "CG200745" . "CG200745" . . "f" . "dapansutrile" . "dapansutrile" . . "f" . "CY-09" . "CY-09" . . "f" . "olorinab" . "olorinab" . . "f" . "miricorilant" . "miricorilant" . . "f" . "Ac-SDKP" . "Ac-SDKP" . . "f" . "azelaprag" . "azelaprag" . . "f" . "ABX-1431" . "ABX-1431" . . "f" . "CDK12 inhibitor 2" . "CDK12 inhibitor 2" . . "f" . "GlyT1 inhibitor 27a" . "GlyT1 inhibitor 27a" . . "f" . "isoquinoline 17 [PMID: 30122040]" . "isoquinoline 17 [PMID: 30122040]" . . "f" . "GlyT1 inhibitor 51b" . "GlyT1 inhibitor 51b" . . "f" . "RasGRP activator 1" . "RasGRP activator 1" . . "f" . "AFM13" . "AFM13" . . "f" . "A-769662" . "A-769662" . . "f" . "aprocitentan" . "aprocitentan" . . "f" . "AChE reactivator 2" . "AChE reactivator 2" . . "f" . "LIT-927" . "LIT-927" . . "f" . "BTK inhibitor 16 [PMID: 30122225]" . "BTK inhibitor 16 [PMID: 30122225]" . . "f" . "tadekinig alfa" . "tadekinig alfa" . . "f" . "Dooku1" . "Dooku1" . . "f" . "RORC2 inverse agonist 66 [PMID: 30130103]" . "RORC2 inverse agonist 66 [PMID: 30130103]" . . "f" . "5-LOX inhibitor 2m [PMID: 30199704]" . "5-LOX inhibitor 2m [PMID: 30199704]" . . "f" . "diflapolin" . "diflapolin" . . "f" . "kinase inhibitor 2 [PMID: 30199702]" . "kinase inhibitor 2 [PMID: 30199702]" . . "f" . "DS-8500a" . "DS-8500a" . . "f" . "DOTA-JR11" . "DOTA-JR11" . . "f" . "Compound 9 [doi:10.26434/chemrxiv.7072592.v1]" . "Compound 9 [doi:10.26434/chemrxiv.7072592.v1]" . . "f" . "AN3661" . "AN3661" . . "f" . "AN13762" . "AN13762" . . "f" . "pyronaridine" . "pyronaridine" . . "f" . "MK-4256" . "MK-4256" . . "f" . "J-2156" . "J-2156" . . "f" . "S5A1" . "S5A1" . . "f" . "CM4620" . "CM4620" . . "f" . "GSK-7975A" . "GSK-7975A" . . "f" . "PN10" . "PN10" . . "t" . "cemiplimab" . "cemiplimab" . . "f" . "CRX-555" . "CRX-555" . . "f" . "ST034307" . "ST034307" . . "f" . "UCT943" . "UCT943" . . "f" . "BTK inhibitor 4b" . "BTK inhibitor 4b" . . "f" . "RO3306" . "RO3306" . . "f" . "osthole" . "osthole" . . "f" . "paxalisib" . "paxalisib" . . "f" . "parsaclisib" . "parsaclisib" . . "f" . "zifaxaban" . "zifaxaban" . . "t" . "vibegron" . "vibegron" . . "f" . "AUNP-12" . "AUNP-12" . . "t" . "dimetindene" . "dimetindene" . . "t" . "mizolastine" . "mizolastine" . . "t" . "rupatadine" . "rupatadine" . . "f" . "(S)-dimetindene" . "(S)-dimetindene" . . "f" . "DDR1/2 inhibitor 5n" . "DDR1/2 inhibitor 5n" . . "f" . "CCR5 antagonist 34" . "CCR5 antagonist 34" . . "f" . "TUG-1375" . "TUG-1375" . . "f" . "GSK2646264" . "GSK2646264" . . "f" . "7-BIA" . "7-BIA" . . "f" . "PGN-9856" . "PGN-9856" . . "f" . "CYM-50308" . "CYM-50308" . . "f" . "Grp94 inhibitor 54" . "Grp94 inhibitor 54" . . "f" . "AM-6120" . "AM-6120" . . "f" . "ARN19702" . "ARN19702" . . "f" . "F215" . "F215" . . "f" . "UNC4203" . "UNC4203" . . "f" . "H-151" . "H-151" . . "f" . "MDL-800" . "MDL-800" . . "f" . "dual sEH/FAAH inhibitor 11" . "dual sEH/FAAH inhibitor 11" . . "f" . "PFKFB3 kinase Inhibitor 69" . "PFKFB3 kinase Inhibitor 69" . . "f" . "tryptanthrin 5i" . "tryptanthrin 5i" . . "f" . "STING agonist 2" . "STING agonist 2" . . "f" . "STING agonist 3" . "STING agonist 3" . . "t" . "revefenacin" . "revefenacin" . . "f" . "SPRi3" . "SPRi3" . . "f" . "MDMB-Fubinaca" . "MDMB-Fubinaca" . . "f" . "GSK963" . "GSK963" . . "f" . "compound 27 [PMID: 24900635]" . "compound 27 [PMID: 24900635]" . . "f" . "IKK-beta inhibitor R-28" . "IKK-beta inhibitor R-28" . . "f" . "VU2957" . "VU2957" . . "t" . "lazertinib" . "lazertinib" . . "f" . "Auphen" . "Auphen" . . "f" . "YH18968" . "YH18968" . . "f" . "1R-11" . "1R-11" . . "f" . "STAT3 inhibitor 8q" . "STAT3 inhibitor 8q" . . "f" . "spartalizumab" . "spartalizumab" . . "f" . "KDM5 inhibitor N71" . "KDM5 inhibitor N71" . . "f" . "CYM-50358" . "CYM-50358" . . "f" . "PQR620" . "PQR620" . . "f" . "SR1001" . "SR1001" . . "f" . "SR2211" . "SR2211" . . "f" . "SR1555" . "SR1555" . . "f" . "Audien" . "Audien" . . "f" . "CXCR4 antagonist 22" . "CXCR4 antagonist 22" . . "f" . "JAK inhibitor 20a" . "JAK inhibitor 20a" . . "f" . "JAK inhibitor 17b" . "JAK inhibitor 17b" . . "f" . "SLC-0111" . "SLC-0111" . . "f" . "I3MT-3" . "I3MT-3" . . "f" . "astressin 2B" . "astressin 2B" . . "f" . "K-604" . "K-604" . . "f" . "neolymphostin A" . "neolymphostin A" . . "f" . "emavusertib" . "emavusertib" . . "f" . "halofuginone" . "halofuginone" . . "f" . "ML385" . "ML385" . . "f" . "RIPK1 inhibitor 22b" . "RIPK1 inhibitor 22b" . . "f" . "JAK3 inhibitor 32" . "JAK3 inhibitor 32" . . "f" . "JAK3 inhibitor 34" . "JAK3 inhibitor 34" . . "f" . "BMS-823778" . "BMS-823778" . . "t" . "benidipine" . "benidipine" . . "f" . "nilvadipine" . "nilvadipine" . . "f" . "VK-II-86" . "VK-II-86" . . "f" . "RV1729" . "RV1729" . . "f" . "RV6153" . "RV6153" . . "f" . "CCX354" . "CCX354" . . "f" . "SX682" . "SX682" . . "f" . "MBX-2982" . "MBX-2982" . . "f" . "tomivosertib" . "tomivosertib" . . "t" . "ravulizumab" . "ravulizumab" . . "f" . "mutant ANP" . "mutant ANP" . . "f" . "vidupiprant" . "vidupiprant" . . "f" . "AM-461" . "AM-461" . . "f" . "GLPG1205" . "GLPG1205" . . "f" . "mepacrine" . "mepacrine" . . "f" . "noscapine" . "noscapine" . . "t" . "sulfadoxine" . "sulfadoxine" . . "f" . "sulfalene" . "sulfalene" . . "f" . "SC83288" . "SC83288" . . "t" . "ubrogepant" . "ubrogepant" . . "f" . "AM10257" . "AM10257" . . "f" . "ARRY-502" . "ARRY-502" . . "f" . "setipiprant" . "setipiprant" . . "f" . "compound 19a [PMID: 30503936]" . "compound 19a [PMID: 30503936]" . . "f" . "ARD-69" . "ARD-69" . . "f" . "[d-Tyr-14C]TAK-448" . "[d-Tyr-14C]TAK-448" . . "f" . "BAY-885" . "BAY-885" . . "f" . "TH5487" . "TH5487" . . "f" . "NFP" . "NFP" . . "f" . "compound 28 [Heitel et al., 2019]" . "compound 28 [Heitel et al., 2019]" . . "f" . "compound 3f [Festa et al., 2019]" . "compound 3f [Festa et al., 2019]" . . "f" . "ciforadenant" . "ciforadenant" . . "f" . "BMS-1001" . "BMS-1001" . . "f" . "ADU-S100" . "ADU-S100" . . "f" . "PBF-509" . "PBF-509" . . "f" . "compound 6g [PMID: 30633509]" . "compound 6g [PMID: 30633509]" . . "f" . "compound 28 [PMID: 30624936]" . "compound 28 [PMID: 30624936]" . . "f" . "VU6012962" . "VU6012962" . . "f" . "vantictumab" . "vantictumab" . . "f" . "INT-767" . "INT-767" . . "t" . "tezacaftor" . "tezacaftor" . . "t" . "migalastat" . "migalastat" . . "f" . "example 25 [WO2018228934]" . "example 25 [WO2018228934]" . . "f" . "AM1710" . "AM1710" . . "f" . "casoxin C" . "casoxin C" . . "f" . "compound 1 [PMID: 33547286]" . "compound 1 [PMID: 33547286]" . . "f" . "endoxifen" . "endoxifen" . . "f" . "norendoxifen" . "norendoxifen" . . "f" . "NE 52-QQ57" . "NE 52-QQ57" . . "f" . "GPR4 antagonist 3b" . "GPR4 antagonist 3b" . . "t" . "ibalizumab" . "ibalizumab" . . "t" . "troleandomycin" . "troleandomycin" . . "f" . "olinciguat" . "olinciguat" . . "f" . "FD1" . "FD1" . . "f" . "FD6" . "FD6" . . "f" . "KH7" . "KH7" . . "f" . "SLC4101431" . "SLC4101431" . . "f" . "compound 27d [PMID: 28231433]" . "compound 27d [PMID: 28231433]" . . "f" . "MP-A08" . "MP-A08" . . "f" . "fisogatinib" . "fisogatinib" . . "f" . "CCK-39" . "CCK-39" . . "f" . "TAK-448" . "TAK-448" . . "f" . "ML10" . "ML10" . . "f" . "albutensin A" . "albutensin A" . . "f" . "oryzatensin" . "oryzatensin" . . "f" . "lactomedin 1" . "lactomedin 1" . . "f" . "MMV008138" . "MMV008138" . . "f" . "AS2717638" . "AS2717638" . . "f" . "vecabrutinib" . "vecabrutinib" . . "f" . "AZ2" . "AZ2" . . "f" . "compound 22 [PMID: 24754609]" . "compound 22 [PMID: 24754609]" . . "f" . "MRS7469" . "MRS7469" . . "f" . "volociximab" . "volociximab" . . "f" . "VU0650786" . "VU0650786" . . "f" . "VU0155094" . "VU0155094" . . "f" . "VU0422288" . "VU0422288" . . "f" . "SC-560" . "SC-560" . . "f" . "FK-881" . "FK-881" . . "f" . "SC-236" . "SC-236" . . "f" . "DO34" . "DO34" . . "f" . "DH376" . "DH376" . . "f" . "cladosporin" . "cladosporin" . . "f" . "ASP8477" . "ASP8477" . . "f" . "Jedi1" . "Jedi1" . . "f" . "DO264" . "DO264" . . "f" . "QRFP26" . "QRFP26" . . "f" . "LV-2186" . "LV-2186" . . "f" . "[125I]26RFa (human)" . "[125I]26RFa (human)" . . "f" . "NG29" . "NG29" . . "f" . "NG291" . "NG291" . . "f" . "cinromide" . "cinromide" . . "f" . "GGsTop" . "GGsTop" . . "f" . "GR-389988" . "GR-389988" . . "f" . "compound 1u [PMID: 30245402]" . "compound 1u [PMID: 30245402]" . . "f" . "SPP1" . "SPP1" . . "f" . "VU0810464" . "VU0810464" . . "f" . "AT-56" . "AT-56" . . "f" . "KV-37" . "KV-37" . . "f" . "ML351" . "ML351" . . "f" . "GAT211" . "GAT211" . . "f" . "compound C2 [PMID: 29990428]" . "compound C2 [PMID: 29990428]" . . "f" . "ASP7663" . "ASP7663" . . "f" . "JT010" . "JT010" . . "f" . "AM-0902" . "AM-0902" . . "f" . "YNT-185" . "YNT-185" . . "f" . "GSK1702934A" . "GSK1702934A" . . "f" . "GSK417651A" . "GSK417651A" . . "f" . "Cp-1" . "Cp-1" . . "f" . "clemizole" . "clemizole" . . "f" . "HC-070" . "HC-070" . . "f" . "tonantzitlolone" . "tonantzitlolone" . . "f" . "M084" . "M084" . . "f" . "BTD" . "BTD" . . "f" . "AC1903" . "AC1903" . . "f" . "Pico145" . "Pico145" . . "f" . "AM12" . "AM12" . . "f" . "forsythoside B" . "forsythoside B" . . "f" . "RN-9893" . "RN-9893" . . "f" . "Pi-theraphotoxin-Hm3a" . "Pi-theraphotoxin-Hm3a" . . "f" . "Pi-hexatoxin-Hi1a" . "Pi-hexatoxin-Hi1a" . . "f" . "diminazene" . "diminazene" . . "f" . "mambalgin-1" . "mambalgin-1" . . "f" . "RP-001" . "RP-001" . . "f" . "TY-52156" . "TY-52156" . . "f" . "lerociclib" . "lerociclib" . . "f" . "selitrectinib" . "selitrectinib" . . "t" . "omidenepag" . "omidenepag" . . "f" . "repotrectinib" . "repotrectinib" . . "f" . "BL-1249" . "BL-1249" . . "f" . "simurosertib" . "simurosertib" . . "t" . "selpercatinib" . "selpercatinib" . . "t" . "olutasidenib" . "olutasidenib" . . "f" . "Lys01" . "Lys01" . . "f" . "FzM1.8" . "FzM1.8" . . "f" . "FzM1" . "FzM1" . . "f" . "SRI37892" . "SRI37892" . . "f" . "Fz7-21" . "Fz7-21" . . "f" . "ipafricept" . "ipafricept" . . "f" . "GSA-10" . "GSA-10" . . "f" . "SAG1.3" . "SAG1.3" . . "f" . "cyclopamine" . "cyclopamine" . . "f" . "cyclopamine-KAAD" . "cyclopamine-KAAD" . . "f" . "SANT-1" . "SANT-1" . . "f" . "SANT-2" . "SANT-2" . . "f" . "MRT-92" . "MRT-92" . . "f" . "taladegib" . "taladegib" . . "f" . "ANTA XV" . "ANTA XV" . . "t" . "polymyxin B" . "polymyxin B" . . "f" . "TCMDC-125163" . "TCMDC-125163" . . "f" . "compound 58l [PMID: 30843696]" . "compound 58l [PMID: 30843696]" . . "f" . "diprovocim-1" . "diprovocim-1" . . "t" . "solriamfetol" . "solriamfetol" . . "f" . "Thiazomycin A" . "Thiazomycin A" . . "f" . "GSK8612" . "GSK8612" . . "f" . "compound 1 [Lolli et al., 2019]" . "compound 1 [Lolli et al., 2019]" . . "f" . "compound 3a [Badolato et al., 2019]" . "compound 3a [Badolato et al., 2019]" . . "f" . "MK-571" . "MK-571" . . "f" . "K-80003" . "K-80003" . . "f" . "BAY-593074" . "BAY-593074" . . "f" . "L760735" . "L760735" . . "f" . "NUDT7-COV-1" . "NUDT7-COV-1" . . "f" . "tibulizumab" . "tibulizumab" . . "f" . "LUF7602" . "LUF7602" . . "f" . "AZD5718" . "AZD5718" . . "f" . "tepoditamab" . "tepoditamab" . . "f" . "HSD1590" . "HSD1590" . . "f" . "elimusertib" . "elimusertib" . . "f" . "GNE-616" . "GNE-616" . . "f" . "purmorphamine" . "purmorphamine" . . "f" . "CDK inhibitor 4.35" . "CDK inhibitor 4.35" . . "f" . "GSK065" . "GSK065" . . "t" . "ulinastatin" . "ulinastatin" . . "f" . "utatrectinib" . "utatrectinib" . . "f" . "RG-1530" . "RG-1530" . . "f" . "abscisic acid" . "abscisic acid" . . "f" . "TAK-925" . "TAK-925" . . "f" . "BT-11" . "BT-11" . . "f" . "NSC61610" . "NSC61610" . . "f" . "compound 2q [PMID: 30986068]" . "compound 2q [PMID: 30986068]" . . "f" . "XY101" . "XY101" . . "f" . "DS21360717" . "DS21360717" . . "t" . "avapritinib" . "avapritinib" . . "t" . "stanozolol" . "stanozolol" . . "f" . "namilumab" . "namilumab" . . "f" . "compound 20 [PMID: 30998356]" . "compound 20 [PMID: 30998356]" . . "f" . "[3H]T-516" . "[3H]T-516" . . "f" . "compound 14 [PMID: 30925062]" . "compound 14 [PMID: 30925062]" . . "f" . "NC1" . "NC1" . . "f" . "I-C11" . "I-C11" . . "f" . "NBI-34041" . "NBI-34041" . . "f" . "ONO-2333MS" . "ONO-2333MS" . . "f" . "CP-316,311" . "CP-316,311" . . "f" . "verucerfont" . "verucerfont" . . "f" . "pexacerfont" . "pexacerfont" . . "f" . "CPN-267" . "CPN-267" . . "f" . "NY0116" . "NY0116" . . "f" . "MK-7145" . "MK-7145" . . "f" . "ARS-1620" . "ARS-1620" . . "f" . "compound T.14" . "compound T.14" . . "f" . "celastrol" . "celastrol" . . "f" . "TAK-632" . "TAK-632" . . "f" . "SZM594" . "SZM594" . . "f" . "RIPK3 inhibitor 18" . "RIPK3 inhibitor 18" . . "f" . "JMS-17-2" . "JMS-17-2" . . "f" . "AQ-13" . "AQ-13" . . "f" . "tebuquine" . "tebuquine" . . "f" . "NPC1161B" . "NPC1161B" . . "f" . "compound 3l [PMID: 30637955]" . "compound 3l [PMID: 30637955]" . . "f" . "JPC-3210" . "JPC-3210" . . "f" . "naphthoquine" . "naphthoquine" . . "f" . "arteflene" . "arteflene" . . "f" . "compound 5 [PMID: 30894487]" . "compound 5 [PMID: 30894487]" . . "f" . "CDRI-97/78" . "CDRI-97/78" . . "f" . "GS-444217" . "GS-444217" . . "f" . "PDE4 inhibitor 16" . "PDE4 inhibitor 16" . . "f" . "RIPK3 inhibitor 42" . "RIPK3 inhibitor 42" . . "f" . "ZAK inhibitor 6p" . "ZAK inhibitor 6p" . . "f" . "compound 21b [PMID: 31136173]" . "compound 21b [PMID: 31136173]" . . "f" . "trequinsin" . "trequinsin" . . "f" . "zilucoplan" . "zilucoplan" . . "f" . "BAY-8002" . "BAY-8002" . . "f" . "OD36" . "OD36" . . "f" . "albitiazolium" . "albitiazolium" . . "t" . "bremelanotide" . "bremelanotide" . . "f" . "KZR-616" . "KZR-616" . . "f" . "MK-4815" . "MK-4815" . . "f" . "GSK369796" . "GSK369796" . . "f" . "tigemonam" . "tigemonam" . . "f" . "RSLV-132" . "RSLV-132" . . "f" . "RIPK2 inhibitor 3" . "RIPK2 inhibitor 3" . . "f" . "bulaquine" . "bulaquine" . . "f" . "PA21A092" . "PA21A092" . . "f" . "ROCK inhibitor 3" . "ROCK inhibitor 3" . . "f" . "GSK2239633A" . "GSK2239633A" . . "f" . "compound 31 [PMID: 31259550]" . "compound 31 [PMID: 31259550]" . . "f" . "compound 49c [PMID: 29074775]" . "compound 49c [PMID: 29074775]" . . "f" . "RIPK2 inhibitor 5" . "RIPK2 inhibitor 5" . . "f" . "κM-conotoxin RIIIK" . "κM-conotoxin RIIIK" . . "f" . "CHMFL-KIT-64" . "CHMFL-KIT-64" . . "f" . "AM237" . "AM237" . . "f" . "fezolinetant" . "fezolinetant" . . "t" . "ripasudil" . "ripasudil" . . "f" . "(3,5)-[19F]2-Phe-ψ-Ala" . "(3,5)-[19F]2-Phe-ψ-Ala" . . "f" . "PF-06873600" . "PF-06873600" . . "f" . "basmisanil" . "basmisanil" . . "f" . "compound 25 [PMID: 31260299]" . "compound 25 [PMID: 31260299]" . . "f" . "J30-8" . "J30-8" . . "f" . "compound 33 [PMID: 32003991]" . "compound 33 [PMID: 32003991]" . . "f" . "E-52862" . "E-52862" . . "t" . "deucravacitinib" . "deucravacitinib" . . "f" . "compound 5a [PMID: 31287314]" . "compound 5a [PMID: 31287314]" . . "f" . "compound 5b [PMID: 31287314]" . "compound 5b [PMID: 31287314]" . . "f" . "compound 10a [PMID: 31283223]" . "compound 10a [PMID: 31283223]" . . "f" . "compound E22 [PMID: 31298542]" . "compound E22 [PMID: 31298542]" . . "f" . "compound 24 [PMID: 31343176]" . "compound 24 [PMID: 31343176]" . . "t" . "darolutamide" . "darolutamide" . . "f" . "MS48107" . "MS48107" . . "f" . "compound 5d [PMID: 31335136]" . "compound 5d [PMID: 31335136]" . . "f" . "UDM-001651" . "UDM-001651" . . "f" . "compound 10 [PMID: 31306001]" . "compound 10 [PMID: 31306001]" . . "f" . "LIT-001" . "LIT-001" . . "f" . "compound 23 [PMID: 31398032]" . "compound 23 [PMID: 31398032]" . . "f" . "avitriptan" . "avitriptan" . . "f" . "LUF7244" . "LUF7244" . . "f" . "compound 9 [Kumar et al., 2019]" . "compound 9 [Kumar et al., 2019]" . . "f" . "Example 4 [WO2017202275A1]" . "Example 4 [WO2017202275A1]" . . "f" . "compound 7 [PMID: 31381331]" . "compound 7 [PMID: 31381331]" . . "f" . "ME-1228 acid" . "ME-1228 acid" . . "f" . "BPN14770" . "BPN14770" . . "f" . "NMRA-140" . "NMRA-140" . . "f" . "CR4056" . "CR4056" . . "f" . "ulotaront" . "ulotaront" . . "f" . "CCT365623" . "CCT365623" . . "f" . "ractopamine" . "ractopamine" . . "f" . "zorifertinib" . "zorifertinib" . . "f" . "remibrutinib" . "remibrutinib" . . "f" . "izencitinib" . "izencitinib" . . "f" . "JNJ303" . "JNJ303" . . "f" . "brepocitinib" . "brepocitinib" . . "f" . "pamufetinib" . "pamufetinib" . . "f" . "fadraciclib" . "fadraciclib" . . "f" . "imnopitant" . "imnopitant" . . "f" . "milategrast" . "milategrast" . . "f" . "elsubrutinib" . "elsubrutinib" . . "f" . "E209" . "E209" . . "f" . "linperlisib" . "linperlisib" . . "f" . "mevociclib" . "mevociclib" . . "f" . "RY785" . "RY785" . . "t" . "mobocertinib" . "mobocertinib" . . "f" . "COVA322" . "COVA322" . . "t" . "mepenzolic acid" . "mepenzolic acid" . . "f" . "zagotenemab" . "zagotenemab" . . "f" . "NSC80734" . "NSC80734" . . "f" . "pegdinetanib" . "pegdinetanib" . . "t" . "mitapivat" . "mitapivat" . . "f" . "belizatinib" . "belizatinib" . . "f" . "ibcasertib" . "ibcasertib" . . "f" . "KB-5246" . "KB-5246" . . "f" . "telatinib" . "telatinib" . . "t" . "furmonertinib" . "furmonertinib" . . "f" . "bemcentinib" . "bemcentinib" . . "f" . "AZD9898" . "AZD9898" . . "f" . "compound 21b [PMID: 31430136]" . "compound 21b [PMID: 31430136]" . . "f" . "BAY-293" . "BAY-293" . . "f" . "compound 1 [PMID: 31477924]" . "compound 1 [PMID: 31477924]" . . "f" . "compound 16 [PMID: 31498617]" . "compound 16 [PMID: 31498617]" . . "f" . "compound 6N [PMID: 31419141]" . "compound 6N [PMID: 31419141]" . . "f" . "RJW100" . "RJW100" . . "f" . "retigabine derivative 10g" . "retigabine derivative 10g" . . "f" . "RA839" . "RA839" . . "f" . "compound 10 [PMID: 31411465]" . "compound 10 [PMID: 31411465]" . . "f" . "compound 12b [PMID: 31465220]" . "compound 12b [PMID: 31465220]" . . "f" . "SS-208" . "SS-208" . . "f" . "sonelokimab" . "sonelokimab" . . "t" . "envafolimab" . "envafolimab" . . "f" . "compound 1 [PMID: 31465224]" . "compound 1 [PMID: 31465224]" . . "f" . "SWE101" . "SWE101" . . "f" . "CWHM12" . "CWHM12" . . "f" . "GSK2603566A" . "GSK2603566A" . . "f" . "SLF" . "SLF" . . "f" . "compound 8 [PMID: 25898023]" . "compound 8 [PMID: 25898023]" . . "f" . "TRAP-101" . "TRAP-101" . . "f" . "NiK-21273" . "NiK-21273" . . "f" . "compound 16 [PMID: 31525966]" . "compound 16 [PMID: 31525966]" . . "f" . "compound 16i [PMID: 31525963]" . "compound 16i [PMID: 31525963]" . . "f" . "GSK1370319A" . "GSK1370319A" . . "f" . "GSK1482160" . "GSK1482160" . . "t" . "amivantamab" . "amivantamab" . . "f" . "LY3154207" . "LY3154207" . . "f" . "OMO-1" . "OMO-1" . . "f" . "MK-8719" . "MK-8719" . . "f" . "thiamet-G" . "thiamet-G" . . "t" . "carotegrast methyl" . "carotegrast methyl" . . "f" . "carotegrast" . "carotegrast" . . "t" . "ilaprazole" . "ilaprazole" . . "t" . "tegafur" . "tegafur" . . "f" . "SAFit1" . "SAFit1" . . "f" . "RO0094889" . "RO0094889" . . "f" . "MAK683" . "MAK683" . . "f" . "PF-06821497" . "PF-06821497" . . "f" . "CB-103" . "CB-103" . . "t" . "velpatasvir" . "velpatasvir" . . "f" . "bilorphin" . "bilorphin" . . "f" . "NF-56-EJ40" . "NF-56-EJ40" . . "f" . "AM-6494" . "AM-6494" . . "f" . "MRI-1867" . "MRI-1867" . . "f" . "avadomide" . "avadomide" . . "f" . "compound 7f [PMID: 31251063]" . "compound 7f [PMID: 31251063]" . . "f" . "MW150" . "MW150" . . "t" . "diroximel fumarate" . "diroximel fumarate" . . "f" . "SIAIS178" . "SIAIS178" . . "f" . "3β-OH" . "3β-OH" . . "f" . "LASW1393" . "LASW1393" . . "f" . "compound 32 [PMID: 31638797]" . "compound 32 [PMID: 31638797]" . . "f" . "TL13-112" . "TL13-112" . . "f" . "BSJ-03-204" . "BSJ-03-204" . . "f" . "BSJ-04-132" . "BSJ-04-132" . . "f" . "BSJ-03-123" . "BSJ-03-123" . . "f" . "dTAG-13" . "dTAG-13" . . "f" . "dBET6" . "dBET6" . . "f" . "DD-03-171" . "DD-03-171" . . "f" . "dTRIM24" . "dTRIM24" . . "t" . "luspatercept" . "luspatercept" . . "f" . "MANSC (415-431)" . "MANSC (415-431)" . . "f" . "Chgb (511-532)" . "Chgb (511-532)" . . "f" . "MSMB (91-114)" . "MSMB (91-114)" . . "f" . "SPAG11B (61-103)" . "SPAG11B (61-103)" . . "f" . "CLUL1 (52-77)" . "CLUL1 (52-77)" . . "f" . "QC-01-175" . "QC-01-175" . . "f" . "OSTN (81-102)" . "OSTN (81-102)" . . "f" . "dBRD9" . "dBRD9" . . "f" . "dBRD9-A" . "dBRD9-A" . . "f" . "THAL-SNS-032" . "THAL-SNS-032" . . "f" . "compound 10 [PMID: 31663733]" . "compound 10 [PMID: 31663733]" . . "f" . "compound 1 [Cruz-López et al., 2019]" . "compound 1 [Cruz-López et al., 2019]" . . "f" . "SAFit2" . "SAFit2" . . "f" . "compound 18e [PMID: 31670517]" . "compound 18e [PMID: 31670517]" . . "t" . "crizanlizumab" . "crizanlizumab" . . "t" . "elexacaftor" . "elexacaftor" . . "f" . "bamocaftor" . "bamocaftor" . . "f" . "SKA-111" . "SKA-111" . . "f" . "GPI-1046" . "GPI-1046" . . "f" . "TEPP-46" . "TEPP-46" . . "f" . "DASA-58" . "DASA-58" . . "f" . "compound 15a" . "compound 15a" . . "t" . "voxelotor" . "voxelotor" . . "f" . "delta like canonical Notch ligand 3" . "delta like canonical Notch ligand 3" . . "f" . "rovalpituzumab tesirine" . "rovalpituzumab tesirine" . . "f" . "4-OMe-ARM1" . "4-OMe-ARM1" . . "f" . "MS432" . "MS432" . . "f" . "ARV-771" . "ARV-771" . . "f" . "DKFZ‐251" . "DKFZ‐251" . . "f" . "ERD-308" . "ERD-308" . . "f" . "SAR439859" . "SAR439859" . . "f" . "GPR15L" . "GPR15L" . . "f" . "GPR15L (71-81)" . "GPR15L (71-81)" . . "f" . "NMU (104-114)" . "NMU (104-114)" . . "f" . "OSTN (115-133)" . "OSTN (115-133)" . . "f" . "CARTPT (76-96)" . "CARTPT (76-96)" . . "f" . "Pomc (141-162)" . "Pomc (141-162)" . . "f" . "compound 32 [PMID: 31675166]" . "compound 32 [PMID: 31675166]" . . "f" . "ABBV-3221" . "ABBV-3221" . . "f" . "AS-252424" . "AS-252424" . . "f" . "ARD-266" . "ARD-266" . . "f" . "ONO-2570366" . "ONO-2570366" . . "f" . "compound 13e [PMID: 31811124]" . "compound 13e [PMID: 31811124]" . . "f" . "ebselen" . "ebselen" . . "f" . "donecopride" . "donecopride" . . "f" . "compound 39 [PMID: 31742400]" . "compound 39 [PMID: 31742400]" . . "f" . "JNJ-27141491" . "JNJ-27141491" . . "f" . "cannabidiolic acid" . "cannabidiolic acid" . . "f" . "UCM-05194" . "UCM-05194" . . "f" . "peptide 5A" . "peptide 5A" . . "f" . "compound 18c [PMID:19143533]" . "compound 18c [PMID:19143533]" . . "f" . "(R)-2h [PMID:19625189]" . "(R)-2h [PMID:19625189]" . . "f" . "Rp-8-Br-cGMPS" . "Rp-8-Br-cGMPS" . . "f" . "compound 3c [PMID: 30360354]" . "compound 3c [PMID: 30360354]" . . "f" . "topiroxostat" . "topiroxostat" . . "f" . "padnarsertib" . "padnarsertib" . . "f" . "peptide 1 [PMID: 31774287]" . "peptide 1 [PMID: 31774287]" . . "f" . "JR14a" . "JR14a" . . "f" . "compound 29 [PMID: 31934767]" . "compound 29 [PMID: 31934767]" . . "f" . "BAY-985" . "BAY-985" . . "f" . "compound 41 [PMID: 31855425]" . "compound 41 [PMID: 31855425]" . . "f" . "HU-580" . "HU-580" . . "f" . "cPTIO" . "cPTIO" . . "f" . "AZD7648" . "AZD7648" . . "f" . "compound 26 [PMID: 31710475]" . "compound 26 [PMID: 31710475]" . . "f" . "TG11-77" . "TG11-77" . . "f" . "compound 2h [PMID: 30664827]" . "compound 2h [PMID: 30664827]" . . "f" . "AZD3965" . "AZD3965" . . "f" . "compound 3 [PMID: 31804822]" . "compound 3 [PMID: 31804822]" . . "t" . "clindamycin" . "clindamycin" . . "f" . "metamizole" . "metamizole" . . "f" . "mezagitamab" . "mezagitamab" . . "f" . "PROTAC 3" . "PROTAC 3" . . "f" . "CJ-15,801" . "CJ-15,801" . . "f" . "GSK030" . "GSK030" . . "t" . "teprotumumab" . "teprotumumab" . . "f" . "reproxalap" . "reproxalap" . . "f" . "BCH070" . "BCH070" . . "f" . "DM-CHX" . "DM-CHX" . . "f" . "balovaptan" . "balovaptan" . . "f" . "WEHI-842" . "WEHI-842" . . "f" . "compound 28 [PMID: 31188540]" . "compound 28 [PMID: 31188540]" . . "f" . "seralutinib" . "seralutinib" . . "f" . "myr-PKI" . "myr-PKI" . . "f" . "Citrusinine II" . "Citrusinine II" . . "f" . "NANT" . "NANT" . . "f" . "Sp-cAMPS" . "Sp-cAMPS" . . "f" . "CE3F4" . "CE3F4" . . "f" . "tolebrutinib" . "tolebrutinib" . . "f" . "uzansertib" . "uzansertib" . . "f" . "zandelisib" . "zandelisib" . . "f" . "rezivertinib" . "rezivertinib" . . "t" . "orelabrutinib" . "orelabrutinib" . . "t" . "olverembatinib" . "olverembatinib" . . "f" . "lorpucitinib" . "lorpucitinib" . . "f" . "NVP‐TNKS656" . "NVP‐TNKS656" . . "f" . "itacnosertib" . "itacnosertib" . . "f" . "GSK2292767" . "GSK2292767" . . "f" . "MS39" . "MS39" . . "f" . "MS154" . "MS154" . . "f" . "PN6047" . "PN6047" . . "f" . "fosifidancitinib" . "fosifidancitinib" . . "f" . "ifidancitinib" . "ifidancitinib" . . "f" . "WJYK50" . "WJYK50" . . "f" . "compound 21b [PMID: 31944697]" . "compound 21b [PMID: 31944697]" . . "f" . "SLM6071469" . "SLM6071469" . . "f" . "furegrelate sodium" . "furegrelate sodium" . . "f" . "MRL-871" . "MRL-871" . . "f" . "compound 25 [Zhang et al., 2020]" . "compound 25 [Zhang et al., 2020]" . . "f" . "cilofexor" . "cilofexor" . . "f" . "firsocostat" . "firsocostat" . . "f" . "AZD9977" . "AZD9977" . . "f" . "rodatristat ethyl" . "rodatristat ethyl" . . "f" . "rodatristat" . "rodatristat" . . "f" . "efsevin" . "efsevin" . . "f" . "compound 7 [PMID: 31955578]" . "compound 7 [PMID: 31955578]" . . "f" . "compound 16 [PMID: 31977207]" . "compound 16 [PMID: 31977207]" . . "t" . "samidorphan" . "samidorphan" . . "f" . "oxycodegol" . "oxycodegol" . . "f" . "lazucirnon" . "lazucirnon" . . "f" . "licogliflozin" . "licogliflozin" . . "f" . "enerisant" . "enerisant" . . "f" . "nidufexor" . "nidufexor" . . "f" . "ianalumab" . "ianalumab" . . "t" . "hetrombopag" . "hetrombopag" . . "f" . "naporafenib" . "naporafenib" . . "f" . "compound 12 [PMID: 31990537]" . "compound 12 [PMID: 31990537]" . . "f" . "bempegaldesleukin" . "bempegaldesleukin" . . "f" . "KBP-066" . "KBP-066" . . "f" . "JNJ-42226314" . "JNJ-42226314" . . "f" . "BMS-986260" . "BMS-986260" . . "f" . "vorasidenib" . "vorasidenib" . . "f" . "RK-287107" . "RK-287107" . . "f" . "UCSF3384" . "UCSF3384" . . "f" . "UCSF7447" . "UCSF7447" . . "f" . "UCSF4226" . "UCSF4226" . . "f" . "HWL-088" . "HWL-088" . . "f" . "A-908292" . "A-908292" . . "f" . "compound 2e [PMID: 31900320]" . "compound 2e [PMID: 31900320]" . . "f" . "MC2050" . "MC2050" . . "f" . "compound 5 [Tomassi et al., 2020]" . "compound 5 [Tomassi et al., 2020]" . . "f" . "AZ1366" . "AZ1366" . . "f" . "compound 25 [PMID: 32023060]" . "compound 25 [PMID: 32023060]" . . "t" . "sotorasib" . "sotorasib" . . "f" . "motixafortide" . "motixafortide" . . "f" . "picotamide" . "picotamide" . . "f" . "R116010" . "R116010" . . "t" . "lurbinectedin" . "lurbinectedin" . . "f" . "compound 8u [PMID: 31999451]" . "compound 8u [PMID: 31999451]" . . "f" . "KBP-088" . "KBP-088" . . "f" . "davalintide" . "davalintide" . . "f" . "apraglutide" . "apraglutide" . . "f" . "icariside II" . "icariside II" . . "f" . "SU-3327" . "SU-3327" . . "f" . "GNF2133" . "GNF2133" . . "f" . "GNF4877" . "GNF4877" . . "f" . "compound 2-2c [PMID: 32003560]" . "compound 2-2c [PMID: 32003560]" . . "f" . "JD5037" . "JD5037" . . "f" . "roflupram" . "roflupram" . . "t" . "ambroxol" . "ambroxol" . . "f" . "BNC375" . "BNC375" . . "t" . "eptinezumab" . "eptinezumab" . . "f" . "sovesudil" . "sovesudil" . . "f" . "AXT914" . "AXT914" . . "f" . "NCGC607" . "NCGC607" . . "f" . "KPR-5714" . "KPR-5714" . . "f" . "CSTI-300" . "CSTI-300" . . "f" . "SUVN-911" . "SUVN-911" . . "f" . "compound 3 [Uddin et al., 2020]" . "compound 3 [Uddin et al., 2020]" . . "f" . "compound 15a [PMID: 32069401]" . "compound 15a [PMID: 32069401]" . . "t" . "rimegepant" . "rimegepant" . . "f" . "compound 11r [PMID: 32045235]" . "compound 11r [PMID: 32045235]" . . "f" . "compound 15 [PMID: 32045236]" . "compound 15 [PMID: 32045236]" . . "f" . "AB680" . "AB680" . . "f" . "SI306" . "SI306" . . "f" . "WF-47-JS03" . "WF-47-JS03" . . "f" . "iptacopan" . "iptacopan" . . "f" . "T‐495" . "T‐495" . . "f" . "MK-7622" . "MK-7622" . . "f" . "compound 16 [PMID: 31653597]" . "compound 16 [PMID: 31653597]" . . "f" . "aloxistatin" . "aloxistatin" . . "t" . "remdesivir" . "remdesivir" . . "f" . "PRD_002214" . "PRD_002214" . . "f" . "PSB-1584" . "PSB-1584" . . "f" . "compound 25 [PMID: 32105470]" . "compound 25 [PMID: 32105470]" . . "f" . "C1-27" . "C1-27" . . "f" . "compound 13b [PMID: 32198291]" . "compound 13b [PMID: 32198291]" . . "f" . "DRL-17822" . "DRL-17822" . . "f" . "RO5256390" . "RO5256390" . . "f" . "PF-05089771" . "PF-05089771" . . "f" . "MT-45" . "MT-45" . . "f" . "2F-MT-45" . "2F-MT-45" . . "f" . "3F-MT-45" . "3F-MT-45" . . "f" . "4F-MT-45" . "4F-MT-45" . . "f" . "MZ1" . "MZ1" . . "f" . "talarozole" . "talarozole" . . "f" . "ONO-7579" . "ONO-7579" . . "f" . "ABBV-744" . "ABBV-744" . . "f" . "PD-144418" . "PD-144418" . . "f" . "otamixaban" . "otamixaban" . . "f" . "I-432" . "I-432" . . "f" . "lunacalcipol" . "lunacalcipol" . . "f" . "garcinoic acid" . "garcinoic acid" . . "f" . "β-D-N4-hydroxycytidine" . "β-D-N4-hydroxycytidine" . . "f" . "GSK-189254" . "GSK-189254" . . "t" . "molnupiravir" . "molnupiravir" . . "f" . "ONO-5334" . "ONO-5334" . . "t" . "enfortumab vedotin" . "enfortumab vedotin" . . "f" . "PO-322" . "PO-322" . . "f" . "HM01" . "HM01" . . "f" . "merimepodib" . "merimepodib" . . "f" . "SKF-82958" . "SKF-82958" . . "f" . "apramycin" . "apramycin" . . "f" . "NHWD-870" . "NHWD-870" . . "f" . "golidocitinib" . "golidocitinib" . . "f" . "MDL-28170" . "MDL-28170" . . "f" . "VBY-825" . "VBY-825" . . "f" . "leronlimab" . "leronlimab" . . "f" . "compound 3k [PMID: 24568342]" . "compound 3k [PMID: 24568342]" . . "f" . "example 4 [WO2017114509]" . "example 4 [WO2017114509]" . . "f" . "MLN-3897" . "MLN-3897" . . "f" . "(R)-16 [PMID: 32267688]" . "(R)-16 [PMID: 32267688]" . . "f" . "acorafloxacin" . "acorafloxacin" . . "f" . "afabicin" . "afabicin" . . "f" . "DEBIO 1452" . "DEBIO 1452" . . "f" . "alalevonadifloxacin" . "alalevonadifloxacin" . . "f" . "levonadifloxacin" . "levonadifloxacin" . . "f" . "amifloxacin" . "amifloxacin" . . "f" . "apalcillin" . "apalcillin" . . "t" . "avibactam" . "avibactam" . . "t" . "ceftazidime" . "ceftazidime" . . "t" . "aztreonam" . "aztreonam" . . "f" . "bederocin" . "bederocin" . . "f" . "bluensomycin" . "bluensomycin" . . "f" . "butikacin" . "butikacin" . . "f" . "cadazolid" . "cadazolid" . . "t" . "carbenicillin" . "carbenicillin" . . "t" . "sulbactam" . "sulbactam" . . "f" . "cefazaflur" . "cefazaflur" . . "f" . "cefclidin" . "cefclidin" . . "t" . "cefepime" . "cefepime" . . "t" . "cenobamate" . "cenobamate" . . "f" . "taniborbactam" . "taniborbactam" . . "f" . "cefetecol" . "cefetecol" . . "f" . "ETX0282" . "ETX0282" . . "t" . "cefiderocol" . "cefiderocol" . . "f" . "cefluprenam" . "cefluprenam" . . "f" . "cefmatilen" . "cefmatilen" . . "f" . "cefpimizole" . "cefpimizole" . . "t" . "cefpodoxime" . "cefpodoxime" . . "f" . "ETX1317" . "ETX1317" . . "f" . "cefsulodin" . "cefsulodin" . . "f" . "ceftiolene" . "ceftiolene" . . "t" . "ceftizoxime" . "ceftizoxime" . . "f" . "ceftizoxime alapivoxil" . "ceftizoxime alapivoxil" . . "f" . "ecenofloxacin" . "ecenofloxacin" . . "t" . "ceftobiprole" . "ceftobiprole" . . "t" . "ceftolozane" . "ceftolozane" . . "f" . "tazobactam" . "tazobactam" . . "f" . "cetefloxacin" . "cetefloxacin" . . "f" . "cethromycin" . "cethromycin" . . "f" . "cetocycline" . "cetocycline" . . "f" . "clinafloxacin" . "clinafloxacin" . . "t" . "colistin" . "colistin" . . "t" . "contezolid" . "contezolid" . . "f" . "contezolid acefosamil (parent)" . "contezolid acefosamil (parent)" . . "f" . "eperezolid" . "eperezolid" . . "t" . "dalfopristin" . "dalfopristin" . . "t" . "quinupristin" . "quinupristin" . . "t" . "delafloxacin" . "delafloxacin" . . "t" . "diacerein" . "diacerein" . . "f" . "difloxacin" . "difloxacin" . . "t" . "eravacycline" . "eravacycline" . . "f" . "evernimicin" . "evernimicin" . . "f" . "fandofloxacin" . "fandofloxacin" . . "f" . "faropenem" . "faropenem" . . "f" . "finafloxacin" . "finafloxacin" . . "f" . "fludalanine" . "fludalanine" . . "t" . "gatifloxacin" . "gatifloxacin" . . "f" . "mesdopetam" . "mesdopetam" . . "f" . "HSK3486" . "HSK3486" . . "t" . "fosfomycin" . "fosfomycin" . . "f" . "furazolium" . "furazolium" . . "t" . "fusidic acid" . "fusidic acid" . . "f" . "CPN-223" . "CPN-223" . . "f" . "gepotidacin" . "gepotidacin" . . "t" . "grepafloxacin" . "grepafloxacin" . . "f" . "ibafloxacin" . "ibafloxacin" . . "f" . "iclaprim" . "iclaprim" . . "f" . "levopropicillin" . "levopropicillin" . . "t" . "imipenem" . "imipenem" . . "f" . "iseganan" . "iseganan" . . "f" . "lascufloxacin" . "lascufloxacin" . . "t" . "lefamulin" . "lefamulin" . . "f" . "lenapenem" . "lenapenem" . . "t" . "linezolid" . "linezolid" . . "f" . "maridomycin" . "maridomycin" . . "t" . "meropenem" . "meropenem" . . "f" . "mideplanin" . "mideplanin" . . "t" . "minocycline" . "minocycline" . . "f" . "murepavadin" . "murepavadin" . . "f" . "nafithromycin" . "nafithromycin" . . "f" . "narasin" . "narasin" . . "t" . "nemonoxacin" . "nemonoxacin" . . "f" . "nifurprazine" . "nifurprazine" . . "f" . "olamufloxacin" . "olamufloxacin" . . "t" . "omadacycline" . "omadacycline" . . "t" . "oxantel" . "oxantel" . . "t" . "ozenoxacin" . "ozenoxacin" . . "f" . "pafuramidine" . "pafuramidine" . . "f" . "paldimycin" . "paldimycin" . . "f" . "pirazmonam" . "pirazmonam" . . "f" . "pirbenicillin" . "pirbenicillin" . . "f" . "sucunamostat" . "sucunamostat" . . "f" . "A2315A" . "A2315A" . . "t" . "plazomicin" . "plazomicin" . . "f" . "premafloxacin" . "premafloxacin" . . "f" . "radezolid" . "radezolid" . . "f" . "ranimycin" . "ranimycin" . . "f" . "razupenem" . "razupenem" . . "t" . "relebactam" . "relebactam" . . "f" . "ridinilazole" . "ridinilazole" . . "f" . "ritipenem" . "ritipenem" . . "f" . "rosaramicin" . "rosaramicin" . . "f" . "sanfetrinem" . "sanfetrinem" . . "f" . "GSK852" . "GSK852" . . "t" . "sarafloxacin" . "sarafloxacin" . . "f" . "sisomicin" . "sisomicin" . . "f" . "solithromycin" . "solithromycin" . . "t" . "sparfloxacin" . "sparfloxacin" . . "f" . "squalamine" . "squalamine" . . "f" . "ICI-199441" . "ICI-199441" . . "f" . "sulopenem" . "sulopenem" . . "f" . "tacapenem" . "tacapenem" . . "t" . "tebipenem pivoxil" . "tebipenem pivoxil" . . "t" . "tedizolid" . "tedizolid" . . "t" . "temafloxacin" . "temafloxacin" . . "f" . "timcodar" . "timcodar" . . "f" . "tomopenem" . "tomopenem" . . "f" . "trospectomycin" . "trospectomycin" . . "t" . "vaborbactam" . "vaborbactam" . . "f" . "viquidacin" . "viquidacin" . . "f" . "zabofloxacin" . "zabofloxacin" . . "f" . "zidebactam" . "zidebactam" . . "f" . "zoliflodacin" . "zoliflodacin" . . "t" . "dalbavancin" . "dalbavancin" . . "t" . "oritavancin" . "oritavancin" . . "t" . "telithromycin" . "telithromycin" . . "f" . "coumamycin" . "coumamycin" . . "f" . "gloximonam" . "gloximonam" . . "f" . "compound 16 [PMID: 31955138]" . "compound 16 [PMID: 31955138]" . . "t" . "asunaprevir" . "asunaprevir" . . "f" . "GC-376" . "GC-376" . . "f" . "livoletide" . "livoletide" . . "f" . "glepaglutide" . "glepaglutide" . . "f" . "SR101099" . "SR101099" . . "f" . "(R)-ND-336" . "(R)-ND-336" . . "f" . "adagrasib" . "adagrasib" . . "f" . "selgantolimod" . "selgantolimod" . . "f" . "ML1-SA1" . "ML1-SA1" . . "f" . "barusiban" . "barusiban" . . "t" . "aviptadil" . "aviptadil" . . "t" . "fluticasone furoate" . "fluticasone furoate" . . "t" . "cefotaxime" . "cefotaxime" . . "t" . "amikacin" . "amikacin" . . "t" . "amoxicillin" . "amoxicillin" . . "t" . "ampicillin" . "ampicillin" . . "t" . "cefaclor" . "cefaclor" . . "t" . "cefixime" . "cefixime" . . "t" . "ceftaroline fosamil" . "ceftaroline fosamil" . . "t" . "cefuroxime" . "cefuroxime" . . "t" . "chloramphenicol" . "chloramphenicol" . . "f" . "eremomycin" . "eremomycin" . . "t" . "ciprofloxacin" . "ciprofloxacin" . . "t" . "clarithromycin" . "clarithromycin" . . "t" . "daptomycin" . "daptomycin" . . "f" . "demeclocycline" . "demeclocycline" . . "f" . "poststatin" . "poststatin" . . "t" . "ertapenem" . "ertapenem" . . "f" . "Thio-THIP" . "Thio-THIP" . . "f" . "BAY1125976" . "BAY1125976" . . "t" . "fidaxomicin" . "fidaxomicin" . . "t" . "flucloxacillin" . "flucloxacillin" . . "t" . "levofloxacin" . "levofloxacin" . . "t" . "lymecycline" . "lymecycline" . . "t" . "methenamine" . "methenamine" . . "t" . "metronidazole" . "metronidazole" . . "t" . "moxifloxacin" . "moxifloxacin" . . "f" . "DS-8587" . "DS-8587" . . "t" . "mupirocin" . "mupirocin" . . "t" . "nitrofurantoin" . "nitrofurantoin" . . "t" . "ofloxacin" . "ofloxacin" . . "t" . "oxytetracycline" . "oxytetracycline" . . "f" . "NSC-84963" . "NSC-84963" . . "t" . "phenoxymethylpenicillin" . "phenoxymethylpenicillin" . . "t" . "piperacillin" . "piperacillin" . . "t" . "pivmecillinam" . "pivmecillinam" . . "t" . "streptomycin" . "streptomycin" . . "f" . "NSC-93169" . "NSC-93169" . . "t" . "teicoplanin" . "teicoplanin" . . "t" . "telavancin" . "telavancin" . . "t" . "temocillin" . "temocillin" . . "t" . "tetracycline" . "tetracycline" . . "f" . "decaplanin" . "decaplanin" . . "t" . "ticarcillin" . "ticarcillin" . . "f" . "tigecycline" . "tigecycline" . . "t" . "tobramycin" . "tobramycin" . . "t" . "trimethoprim" . "trimethoprim" . . "t" . "acetylcysteine" . "acetylcysteine" . . "t" . "vancomycin" . "vancomycin" . . "t" . "sulfamethoxazole" . "sulfamethoxazole" . . "t" . "dapsone" . "dapsone" . . "f" . "cefazolin" . "cefazolin" . . "f" . "CCG258747" . "CCG258747" . . "f" . "hedamycin" . "hedamycin" . . "t" . "cefotetan" . "cefotetan" . . "t" . "cefoxitin" . "cefoxitin" . . "f" . "SAR247799" . "SAR247799" . . "f" . "5-Hydroxymethyl-2-furfural" . "5-Hydroxymethyl-2-furfural" . . "f" . "N, N-bis (5-ethyl-2-hydroxybenzyl) methylamine" . "N, N-bis (5-ethyl-2-hydroxybenzyl) methylamine" . . "f" . "phleomycin" . "phleomycin" . . "t" . "lincomycin" . "lincomycin" . . "t" . "nafcillin" . "nafcillin" . . "t" . "oxacillin" . "oxacillin" . . "f" . "ELX-02" . "ELX-02" . . "f" . "Noggin" . "Noggin" . . "f" . "NIK inhibitor 12f" . "NIK inhibitor 12f" . . "t" . "tenofovir" . "tenofovir" . . "f" . "indanomycin" . "indanomycin" . . "f" . "Dup-105" . "Dup-105" . . "f" . "nojirimycin" . "nojirimycin" . . "f" . "ethyl bromopyruvate" . "ethyl bromopyruvate" . . "f" . "hesperetin" . "hesperetin" . . "f" . "DuP-721" . "DuP-721" . . "f" . "spenolimycin" . "spenolimycin" . . "f" . "neopyrrolomycin" . "neopyrrolomycin" . . "f" . "CGP-31608" . "CGP-31608" . . "f" . "Altromycin B" . "Altromycin B" . . "f" . "ficellomycin" . "ficellomycin" . . "f" . "Ferrimycin A1" . "Ferrimycin A1" . . "f" . "lysinomicin" . "lysinomicin" . . "f" . "Katanosin B" . "Katanosin B" . . "f" . "SCH-79797" . "SCH-79797" . . "f" . "teixobactin" . "teixobactin" . . "f" . "Irresistin-16" . "Irresistin-16" . . "f" . "FGF-18" . "FGF-18" . . "f" . "Macquarimicin A" . "Macquarimicin A" . . "f" . "feldamycin" . "feldamycin" . . "f" . "L-708365" . "L-708365" . . "f" . "BAL19403" . "BAL19403" . . "f" . "DC-159a" . "DC-159a" . . "f" . "AN0128" . "AN0128" . . "f" . "plusbacin A3" . "plusbacin A3" . . "f" . "CG-400549" . "CG-400549" . . "f" . "DS-2969b" . "DS-2969b" . . "f" . "SRI-20864" . "SRI-20864" . . "f" . "SRI-20920" . "SRI-20920" . . "f" . "cyclothialidine" . "cyclothialidine" . . "f" . "Enduracidin" . "Enduracidin" . . "f" . "CRS3123" . "CRS3123" . . "f" . "dihydroxybenzofuran" . "dihydroxybenzofuran" . . "f" . "BRL-42715" . "BRL-42715" . . "f" . "etheromycin" . "etheromycin" . . "f" . "BLI-489 free acid" . "BLI-489 free acid" . . "f" . "MGB-BP-3" . "MGB-BP-3" . . "f" . "oxaquin" . "oxaquin" . . "f" . "BC-3205" . "BC-3205" . . "f" . "delpazolid" . "delpazolid" . . "f" . "MUT056399" . "MUT056399" . . "f" . "dactimicin" . "dactimicin" . . "f" . "cationomycin" . "cationomycin" . . "f" . "CB-182804" . "CB-182804" . . "f" . "BAL30072" . "BAL30072" . . "f" . "ω-Hydroxyemodin" . "ω-Hydroxyemodin" . . "f" . "RP60556A" . "RP60556A" . . "f" . "ranbezolid" . "ranbezolid" . . "f" . "napsamycin C" . "napsamycin C" . . "f" . "AG-122018" . "AG-122018" . . "f" . "napsamycin D" . "napsamycin D" . . "f" . "verdamicin" . "verdamicin" . . "f" . "vermisporin" . "vermisporin" . . "f" . "tirandalydigin" . "tirandalydigin" . . "f" . "TP-271" . "TP-271" . . "f" . "chlorocardicin" . "chlorocardicin" . . "f" . "mersacidin" . "mersacidin" . . "f" . "rancinamycin IA" . "rancinamycin IA" . . "f" . "kibdelomycin A" . "kibdelomycin A" . . "f" . "chinfloxacin" . "chinfloxacin" . . "f" . "vertilmicin" . "vertilmicin" . . "f" . "nodusmicin" . "nodusmicin" . . "f" . "indolmycin" . "indolmycin" . . "f" . "lactivicin" . "lactivicin" . . "f" . "DS-1971a" . "DS-1971a" . . "f" . "BMS-986235" . "BMS-986235" . . "f" . "NBI-35965" . "NBI-35965" . . "f" . "meplazumab" . "meplazumab" . . "f" . "spexin-1" . "spexin-1" . . "f" . "oleuropein" . "oleuropein" . . "f" . "TNP-2092" . "TNP-2092" . . "f" . "Corallopyronin A" . "Corallopyronin A" . . "f" . "ibezapolstat" . "ibezapolstat" . . "f" . "Sch 29482" . "Sch 29482" . . "f" . "[125I]spexin-1" . "[125I]spexin-1" . . "f" . "IT-62-B" . "IT-62-B" . . "f" . "MC-02479" . "MC-02479" . . "f" . "BC-7013" . "BC-7013" . . "t" . "retapamulin" . "retapamulin" . . "f" . "BRL-44154" . "BRL-44154" . . "f" . "DK-507k" . "DK-507k" . . "f" . "sorangicin A" . "sorangicin A" . . "f" . "DX-619" . "DX-619" . . "t" . "sitafloxacin" . "sitafloxacin" . . "f" . "leinamycin" . "leinamycin" . . "f" . "L-701677" . "L-701677" . . "f" . "LBM-415" . "LBM-415" . . "f" . "M14659" . "M14659" . . "f" . "Ro-406890" . "Ro-406890" . . "f" . "SK&F 88070" . "SK&F 88070" . . "f" . "E-1010 free base" . "E-1010 free base" . . "f" . "cefteram" . "cefteram" . . "f" . "kaempferol" . "kaempferol" . . "f" . "luminamicin" . "luminamicin" . . "f" . "LEI-401" . "LEI-401" . . "f" . "ARN19874" . "ARN19874" . . "f" . "E-0702" . "E-0702" . . "f" . "NSC 23766" . "NSC 23766" . . "f" . "chalcomycin" . "chalcomycin" . . "f" . "EHT 1864" . "EHT 1864" . . "f" . "compound 11b [PMID: 32321856]" . "compound 11b [PMID: 32321856]" . . "f" . "PF-956980" . "PF-956980" . . "f" . "EHop 016" . "EHop 016" . . "f" . "difficidin" . "difficidin" . . "f" . "enteromycin carboxamide" . "enteromycin carboxamide" . . "f" . "(S)-CR8" . "(S)-CR8" . . "f" . "(R)-CR8" . "(R)-CR8" . . "f" . "SENS-111" . "SENS-111" . . "f" . "LASSBio-1524" . "LASSBio-1524" . . "f" . "example 265 [WO2019097515A1]" . "example 265 [WO2019097515A1]" . . "f" . "ADG-207" . "ADG-207" . . "t" . "hexachlorophene" . "hexachlorophene" . . "f" . "compound 11a [PMID: 32321856]" . "compound 11a [PMID: 32321856]" . . "f" . "AS408" . "AS408" . . "f" . "AS3334034" . "AS3334034" . . "f" . "CR3022" . "CR3022" . . "f" . "compound 13B [PMID: 32506913]" . "compound 13B [PMID: 32506913]" . . "f" . "GRL-0617" . "GRL-0617" . . "f" . "mAb 4A8" . "mAb 4A8" . . "f" . "tatM2NX" . "tatM2NX" . . "f" . "PSB-KD107" . "PSB-KD107" . . "f" . "OM-1700" . "OM-1700" . . "f" . "compound 36 [PMID: 32429662]" . "compound 36 [PMID: 32429662]" . . "f" . "LIH383" . "LIH383" . . "f" . "HTH-02-006" . "HTH-02-006" . . "f" . "Qu-SPX" . "Qu-SPX" . . "f" . "obatoclax" . "obatoclax" . . "f" . "emetine" . "emetine" . . "f" . "salinomycin" . "salinomycin" . . "f" . "umifenovir" . "umifenovir" . . "f" . "NPS(1-4)NH2" . "NPS(1-4)NH2" . . "t" . "nelfinavir" . "nelfinavir" . . "f" . "Δ9-Tetrahydrocannabinolic acid" . "Δ9-Tetrahydrocannabinolic acid" . . "f" . "cannabidivarin" . "cannabidivarin" . . "f" . "cannabichromene" . "cannabichromene" . . "f" . "cannabigerol" . "cannabigerol" . . "f" . "ARRY-371797" . "ARRY-371797" . . "f" . "MAPK13-IN-1" . "MAPK13-IN-1" . . "f" . "efineptakin alfa" . "efineptakin alfa" . . "f" . "IRL752" . "IRL752" . . "f" . "compound 3m [PMID: 32603117]" . "compound 3m [PMID: 32603117]" . . "t" . "fostemsavir" . "fostemsavir" . . "t" . "cedazuridine" . "cedazuridine" . . "f" . "A-1331852" . "A-1331852" . . "f" . "GSK2830371" . "GSK2830371" . . "f" . "SL-176" . "SL-176" . . "f" . "LB-100" . "LB-100" . . "f" . "inhibitor E4" . "inhibitor E4" . . "f" . "VU0409551" . "VU0409551" . . "f" . "example 2 [WO2005113580A1]" . "example 2 [WO2005113580A1]" . . "f" . "TG-0203770" . "TG-0203770" . . "f" . "PBT2" . "PBT2" . . "f" . "TCMDC-135051" . "TCMDC-135051" . . "f" . "ezutromid" . "ezutromid" . . "f" . "SMT022357" . "SMT022357" . . "f" . "compound 27 [PMID: 32551645]" . "compound 27 [PMID: 32551645]" . . "f" . "HTL22562" . "HTL22562" . . "f" . "DCLK1-IN-1" . "DCLK1-IN-1" . . "f" . "X-165" . "X-165" . . "f" . "inhibitor E18" . "inhibitor E18" . . "f" . "ASN008" . "ASN008" . . "t" . "belantamab mafodotin" . "belantamab mafodotin" . . "f" . "martinostat" . "martinostat" . . "f" . "bavarostat" . "bavarostat" . . "f" . "ACY-738" . "ACY-738" . . "f" . "MC1568" . "MC1568" . . "f" . "inhibitor CB3" . "inhibitor CB3" . . "f" . "DS37001789" . "DS37001789" . . "f" . "litifilimab" . "litifilimab" . . "f" . "dapirolizumab pegol" . "dapirolizumab pegol" . . "f" . "bindarit" . "bindarit" . . "f" . "PF-07062119" . "PF-07062119" . . "t" . "metopimazine" . "metopimazine" . . "t" . "cloxacillin" . "cloxacillin" . . "t" . "spectinomycin" . "spectinomycin" . . "t" . "clavulanic acid" . "clavulanic acid" . . "f" . "SNG001" . "SNG001" . . "t" . "atazanavir" . "atazanavir" . . "f" . "compound 25 [PMID: 32687365]" . "compound 25 [PMID: 32687365]" . . "t" . "tafasitamab" . "tafasitamab" . . "f" . "otilimab" . "otilimab" . . "f" . "AMG-232" . "AMG-232" . . "t" . "favipiravir" . "favipiravir" . . "f" . "TTT-3002" . "TTT-3002" . . "f" . "elafibranor" . "elafibranor" . . "t" . "almonertinib" . "almonertinib" . . "f" . "seladelpar" . "seladelpar" . . "f" . "LGK974" . "LGK974" . . "t" . "alizapride" . "alizapride" . . "f" . "Natural cytotoxicity triggering receptor 3 ligand 1" . "Natural cytotoxicity triggering receptor 3 ligand 1" . . "f" . "Large proline-rich protein BAG6" . "Large proline-rich protein BAG6" . . "f" . "compound 49 [PMID: 30889352]" . "compound 49 [PMID: 30889352]" . . "f" . "compound 55 [PMID: 30889352]" . "compound 55 [PMID: 30889352]" . . "f" . "compound 59 [PMID: 30889352]" . "compound 59 [PMID: 30889352]" . . "f" . "compound 60 [PMID: 30889352]" . "compound 60 [PMID: 30889352]" . . "f" . "compound 8 [Avgoustou et al., 2020]" . "compound 8 [Avgoustou et al., 2020]" . . "f" . "GW405833" . "GW405833" . . "f" . "GSK1795091" . "GSK1795091" . . "f" . "GSK2881078" . "GSK2881078" . . "t" . "abacavir" . "abacavir" . . "f" . "imaradenant" . "imaradenant" . . "f" . "AB928" . "AB928" . . "f" . "ETC-1922159" . "ETC-1922159" . . "f" . "compound 5 [Stecula et al., 2020]" . "compound 5 [Stecula et al., 2020]" . . "f" . "compound 8ay [PMID: 29589443]" . "compound 8ay [PMID: 29589443]" . . "f" . "compound 18 [PMID: 32330443]" . "compound 18 [PMID: 32330443]" . . "f" . "[125I]-HPP-icatibant" . "[125I]-HPP-icatibant" . . "f" . "compound 3 [PMID: 32636746]" . "compound 3 [PMID: 32636746]" . . "f" . "neurounina-1" . "neurounina-1" . . "f" . "ORM-10962" . "ORM-10962" . . "f" . "GRL-0496" . "GRL-0496" . . "f" . "WM382" . "WM382" . . "f" . "S312" . "S312" . . "f" . "S416" . "S416" . . "t" . "Crotamiton" . "Crotamiton" . . "f" . "GNF-6231" . "GNF-6231" . . "t" . "carbetocin" . "carbetocin" . . "t" . "risdiplam" . "risdiplam" . . "t" . "bedaquiline" . "bedaquiline" . . "t" . "pretomanid" . "pretomanid" . . "f" . "DAV-CRI-14a23e73-1" . "DAV-CRI-14a23e73-1" . . "f" . "TG-0205221" . "TG-0205221" . . "f" . "LW-213" . "LW-213" . . "f" . "BIIB068" . "BIIB068" . . "f" . "IcatCXPZ-01" . "IcatCXPZ-01" . . "f" . "apitegromab" . "apitegromab" . . "f" . "tissue factor pathway inhibitor" . "tissue factor pathway inhibitor" . . "f" . "concizumab" . "concizumab" . . "f" . "vamifeport" . "vamifeport" . . "f" . "venadaparib" . "venadaparib" . . "f" . "ilacirnon" . "ilacirnon" . . "f" . "NF279" . "NF279" . . "f" . "MRS2159" . "MRS2159" . . "f" . "darovasertib" . "darovasertib" . . "f" . "ipivivint" . "ipivivint" . . "f" . "dalosirvat" . "dalosirvat" . . "f" . "dalpiciclib" . "dalpiciclib" . . "f" . "vimseltinib" . "vimseltinib" . . "f" . "vodobatinib" . "vodobatinib" . . "f" . "IACS-9439" . "IACS-9439" . . "f" . "ZYBT1" . "ZYBT1" . . "t" . "odevixibat" . "odevixibat" . . "f" . "TUG-1197" . "TUG-1197" . . "f" . "ICOA-13" . "ICOA-13" . . "f" . "taletrectinib" . "taletrectinib" . . "f" . "senaparib" . "senaparib" . . "f" . "rineterkib" . "rineterkib" . . "f" . "MMV030084" . "MMV030084" . . "f" . "GB1211" . "GB1211" . . "f" . "compound 71 [WO2018191577A1]" . "compound 71 [WO2018191577A1]" . . "f" . "AZD8154" . "AZD8154" . . "f" . "LYS006" . "LYS006" . . "f" . "AVE1231" . "AVE1231" . . "f" . "DPO-1" . "DPO-1" . . "f" . "DIM" . "DIM" . . "f" . "Embelin" . "Embelin" . . "f" . "PSB-16434" . "PSB-16434" . . "f" . "ZQ-16" . "ZQ-16" . . "f" . "6-nonylpyridine-2,4-diol" . "6-nonylpyridine-2,4-diol" . . "f" . "compound 3 [PMID: 32258933]" . "compound 3 [PMID: 32258933]" . . "t" . "clascoterone" . "clascoterone" . . "f" . "compound 6e [PMID: 32747425]" . "compound 6e [PMID: 32747425]" . . "f" . "compound 6j [PMID: 32747425]" . "compound 6j [PMID: 32747425]" . . "t" . "bromhexine" . "bromhexine" . . "f" . "BLU-5937" . "BLU-5937" . . "f" . "DSM502" . "DSM502" . . "f" . "suprastat" . "suprastat" . . "f" . "capadenoson" . "capadenoson" . . "f" . "neladenoson" . "neladenoson" . . "f" . "ISAM-140" . "ISAM-140" . . "f" . "BAY-545" . "BAY-545" . . "f" . "compound 4 [PMID: 32677155]" . "compound 4 [PMID: 32677155]" . . "f" . "NP-1815-PX" . "NP-1815-PX" . . "f" . "LCB1" . "LCB1" . . "f" . "LCB3" . "LCB3" . . "f" . "NSC151066" . "NSC151066" . . "f" . "NSC212069" . "NSC212069" . . "f" . "NSC600684" . "NSC600684" . . "t" . "terlipressin" . "terlipressin" . . "f" . "RCI-0879" . "RCI-0879" . . "f" . "BI01383298" . "BI01383298" . . "t" . "darunavir" . "darunavir" . . "t" . "emtricitabine" . "emtricitabine" . . "t" . "nomegestrol" . "nomegestrol" . . "f" . "walrycin B" . "walrycin B" . . "t" . "gestodene" . "gestodene" . . "t" . "opipramol" . "opipramol" . . "f" . "hypericin" . "hypericin" . . "f" . "lufotrelvir" . "lufotrelvir" . . "f" . "PF-00835231" . "PF-00835231" . . "t" . "belzutifan" . "belzutifan" . . "f" . "C3a receptor agonist" . "C3a receptor agonist" . . "f" . "AX-024" . "AX-024" . . "f" . "CIS43" . "CIS43" . . "f" . "HTI-1" . "HTI-1" . . "f" . "MI-09" . "MI-09" . . "f" . "Z-FA-FMK" . "Z-FA-FMK" . . "f" . "decanoyl-RVKR-chloromethylketone" . "decanoyl-RVKR-chloromethylketone" . . "f" . "[Leu14]bombesin" . "[Leu14]bombesin" . . "f" . "BAY86-7548" . "BAY86-7548" . . "f" . "compound A [PMID: 28324017]" . "compound A [PMID: 28324017]" . . "f" . "AM-37" . "AM-37" . . "f" . "compound 11c [PMID: 30613327]" . "compound 11c [PMID: 30613327]" . . "f" . "ΔR3/I5" . "ΔR3/I5" . . "f" . "enoxolone" . "enoxolone" . . "t" . "mavacamten" . "mavacamten" . . "t" . "daclatasvir" . "daclatasvir" . . "t" . "glecaprevir" . "glecaprevir" . . "t" . "pibrentasvir" . "pibrentasvir" . . "f" . "compound 7a [PMID: 33730669]" . "compound 7a [PMID: 33730669]" . . "f" . "analogue 13: B7-24" . "analogue 13: B7-24" . . "t" . "dasabuvir" . "dasabuvir" . . "t" . "ledipasvir" . "ledipasvir" . . "t" . "ombitasvir" . "ombitasvir" . . "t" . "paritaprevir" . "paritaprevir" . . "f" . "GSK'547" . "GSK'547" . . "f" . "lonodelestat" . "lonodelestat" . . "f" . "Ani9" . "Ani9" . . "f" . "AZD1390" . "AZD1390" . . "f" . "bemarituzumab" . "bemarituzumab" . . "f" . "AR234958" . "AR234958" . . "f" . "AR291903" . "AR291903" . . "f" . "compound 2 [PMID: 28621538]" . "compound 2 [PMID: 28621538]" . . "f" . "BAY-6672" . "BAY-6672" . . "f" . "CC-90011" . "CC-90011" . . "f" . "CHMFL-PI4K-127" . "CHMFL-PI4K-127" . . "f" . "Eu-DTPA-hC3a" . "Eu-DTPA-hC3a" . . "f" . "mitoglitazone" . "mitoglitazone" . . "t" . "efavirenz" . "efavirenz" . . "f" . "R-VK4-40" . "R-VK4-40" . . "f" . "NYX-2925" . "NYX-2925" . . "f" . "EG3287" . "EG3287" . . "f" . "psilocin" . "psilocin" . . "f" . "AP1189" . "AP1189" . . "f" . "compound 27 [PMID: 32945666]" . "compound 27 [PMID: 32945666]" . . "f" . "bemnifosbuvir" . "bemnifosbuvir" . . "f" . "ASP2535" . "ASP2535" . . "f" . "GT-0198" . "GT-0198" . . "f" . "opiranserin" . "opiranserin" . . "f" . "α-cyanocinnamate" . "α-cyanocinnamate" . . "f" . "α-cyano-4-hydroxycinnamate" . "α-cyano-4-hydroxycinnamate" . . "f" . "α-Cyano-5-phenyl-2,4-pentadienic acid" . "α-Cyano-5-phenyl-2,4-pentadienic acid" . . "f" . "UK-5099" . "UK-5099" . . "f" . "nezulcitinib" . "nezulcitinib" . . "f" . "TAK-981" . "TAK-981" . . "f" . "borrelidin" . "borrelidin" . . "f" . "compound 73 [WO2017106607A1]" . "compound 73 [WO2017106607A1]" . . "f" . "eclitasertib" . "eclitasertib" . . "f" . "4‐BCCA" . "4‐BCCA" . . "f" . "ORG 214007-0" . "ORG 214007-0" . . "f" . "GSK2018682" . "GSK2018682" . . "f" . "CYM5520" . "CYM5520" . . "f" . "CpX" . "CpX" . . "f" . "CpY" . "CpY" . . "f" . "SAR100842" . "SAR100842" . . "f" . "Radioprotectin-1" . "Radioprotectin-1" . . "f" . "etesevimab" . "etesevimab" . . "f" . "CpdA (parent molecule)" . "CpdA (parent molecule)" . . "f" . "methnaridine" . "methnaridine" . . "f" . "compound 24 [PMID: 32959656]" . "compound 24 [PMID: 32959656]" . . "f" . "alunacedase alfa" . "alunacedase alfa" . . "f" . "PJ34" . "PJ34" . . "f" . "WLL-vs" . "WLL-vs" . . "f" . "compound 2 [PMID: 33085774]" . "compound 2 [PMID: 33085774]" . . "f" . "T5-8" . "T5-8" . . "f" . "PF‐06928215" . "PF‐06928215" . . "f" . "bamlanivimab" . "bamlanivimab" . . "f" . "ONC212" . "ONC212" . . "f" . "atibuclimab" . "atibuclimab" . . "t" . "casirivimab" . "casirivimab" . . "t" . "imdevimab" . "imdevimab" . . "t" . "cilgavimab" . "cilgavimab" . . "t" . "tixagevimab" . "tixagevimab" . . "t" . "regdanvimab" . "regdanvimab" . . "t" . "sotrovimab" . "sotrovimab" . . "f" . "zansecimab" . "zansecimab" . . "f" . "EG00229" . "EG00229" . . "f" . "razuprotafib" . "razuprotafib" . . "f" . "BI-3802" . "BI-3802" . . "f" . "SBI-0206965" . "SBI-0206965" . . "f" . "SBP-7455" . "SBP-7455" . . "t" . "naxitamab" . "naxitamab" . . "t" . "berotralstat" . "berotralstat" . . "f" . "Ganglioside GD2" . "Ganglioside GD2" . . "f" . "EST64454" . "EST64454" . . "f" . "C5apep" . "C5apep" . . "f" . "avdoralimab" . "avdoralimab" . . "f" . "vilobelimab" . "vilobelimab" . . "t" . "ciclopirox" . "ciclopirox" . . "f" . "65PF" . "65PF" . . "f" . "5H78PF" . "5H78PF" . . "f" . "sulfaphenazole" . "sulfaphenazole" . . "f" . "berberine" . "berberine" . . "f" . "12-Imidazolyl-1-dodecanol" . "12-Imidazolyl-1-dodecanol" . . "t" . "miltefosine" . "miltefosine" . . "f" . "LY3405105" . "LY3405105" . . "f" . "MDL12330A (parent)" . "MDL12330A (parent)" . . "f" . "napabucasin" . "napabucasin" . . "f" . "crenigacestat" . "crenigacestat" . . "f" . "MK-0752" . "MK-0752" . . "f" . "[3H]-IPP" . "[3H]-IPP" . . "f" . "brontictuzumab" . "brontictuzumab" . . "f" . "IMR-1" . "IMR-1" . . "f" . "DAPT" . "DAPT" . . "f" . "JTV-803" . "JTV-803" . . "f" . "DX-9065a" . "DX-9065a" . . "f" . "osocimab" . "osocimab" . . "f" . "[18F]FEPPG" . "[18F]FEPPG" . . "t" . "epalrestat" . "epalrestat" . . "f" . "sesamin" . "sesamin" . . "f" . "HET0016" . "HET0016" . . "f" . "compound 7 [PMID: 32302132]" . "compound 7 [PMID: 32302132]" . . "f" . "troriluzole" . "troriluzole" . . "f" . "bintrafusp alfa" . "bintrafusp alfa" . . "f" . "INSL5-A13NR" . "INSL5-A13NR" . . "f" . "NS6740" . "NS6740" . . "f" . "GTS-21" . "GTS-21" . . "f" . "4OH-GTS-21" . "4OH-GTS-21" . . "t" . "cabotegravir" . "cabotegravir" . . "t" . "rilpivirine" . "rilpivirine" . . "f" . "compound 40 [PMID: 33470814]" . "compound 40 [PMID: 33470814]" . . "t" . "voclosporin" . "voclosporin" . . "t" . "dotinurad" . "dotinurad" . . "f" . "PD-146176" . "PD-146176" . . "f" . "SC-58125" . "SC-58125" . . "f" . "TFC007" . "TFC007" . . "f" . "BW B70C" . "BW B70C" . . "f" . "2-TEDC" . "2-TEDC" . . "f" . "MK-7110" . "MK-7110" . . "t" . "plitidepsin" . "plitidepsin" . . "f" . "compound 20 [PMID: 25091930]" . "compound 20 [PMID: 25091930]" . . "f" . "AG-17724" . "AG-17724" . . "f" . "BJP-06-005-3" . "BJP-06-005-3" . . "f" . "acivicin" . "acivicin" . . "f" . "JH112" . "JH112" . . "f" . "compound 23a [PMID: 33417443]" . "compound 23a [PMID: 33417443]" . . "f" . "LP533401" . "LP533401" . . "f" . "MI-30" . "MI-30" . . "f" . "zaloglanstat" . "zaloglanstat" . . "f" . "compound 5 [PMID: 19338355]" . "compound 5 [PMID: 19338355]" . . "f" . "compound 4 [PMID: 33531496]" . "compound 4 [PMID: 33531496]" . . "f" . "cimpuciclib" . "cimpuciclib" . . "f" . "deuruxolitinib" . "deuruxolitinib" . . "f" . "edaxeterkib" . "edaxeterkib" . . "f" . "elraglusib" . "elraglusib" . . "f" . "nemtabrutinib" . "nemtabrutinib" . . "f" . "tasurgratinib" . "tasurgratinib" . . "f" . "zabedosertib" . "zabedosertib" . . "f" . "zeteletinib" . "zeteletinib" . . "t" . "faricimab" . "faricimab" . . "f" . "emvododstat" . "emvododstat" . . "f" . "sabizabulin" . "sabizabulin" . . "f" . "SGC6870" . "SGC6870" . . "f" . "CC-90009" . "CC-90009" . . "f" . "TYK2 inhibitor 14l" . "TYK2 inhibitor 14l" . . "t" . "itraconazole" . "itraconazole" . . "t" . "oseltamivir" . "oseltamivir" . . "t" . "posaconazole" . "posaconazole" . . "t" . "tirzepatide" . "tirzepatide" . . "t" . "viltolarsen" . "viltolarsen" . . "t" . "triheptanoin" . "triheptanoin" . . "f" . "MI-23" . "MI-23" . . "t" . "cetilistat" . "cetilistat" . . "f" . "[D-Tyr6,β-Ala11,N-Me-Ala13,Nle14]bombesin-(6-14)" . "[D-Tyr6,β-Ala11,N-Me-Ala13,Nle14]bombesin-(6-14)" . . "f" . "[125I]bantag-1" . "[125I]bantag-1" . . "f" . "[125I]HPP-HOE140" . "[125I]HPP-HOE140" . . "f" . "epcoritamab" . "epcoritamab" . . "f" . "compound 5 [Zhang et al., 2021]" . "compound 5 [Zhang et al., 2021]" . . "t" . "casimersen" . "casimersen" . . "f" . "GS-441524" . "GS-441524" . . "t" . "lenacapavir" . "lenacapavir" . . "t" . "serdexmethylphenidate" . "serdexmethylphenidate" . . "f" . "PSB-16133" . "PSB-16133" . . "f" . "TIM-38" . "TIM-38" . . "f" . "MRS4625" . "MRS4625" . . "f" . "selepressin" . "selepressin" . . "f" . "DDD85646" . "DDD85646" . . "f" . "MMV019313" . "MMV019313" . . "f" . "CC-401" . "CC-401" . . "f" . "JK1" . "JK1" . . "f" . "B1-27" . "B1-27" . . "f" . "compound 4 [PMID: 30824200]" . "compound 4 [PMID: 30824200]" . . "f" . "R3 B1-22R" . "R3 B1-22R" . . "f" . "TamRLX" . "TamRLX" . . "f" . "MMV009108" . "MMV009108" . . "f" . "Nanoluciferase-labelled relaxin" . "Nanoluciferase-labelled relaxin" . . "f" . "NanoLuc R3/I5 chimera" . "NanoLuc R3/I5 chimera" . . "f" . "MMV689258" . "MMV689258" . . "f" . "tilarginine" . "tilarginine" . . "f" . "BRD9185" . "BRD9185" . . "f" . "ensovibep" . "ensovibep" . . "f" . "compound 5b [PMID: 25974655]" . "compound 5b [PMID: 25974655]" . . "f" . "JNJ-799760" . "JNJ-799760" . . "f" . "JNJ-67869386" . "JNJ-67869386" . . "f" . "NS383" . "NS383" . . "f" . "Ugr 9-1" . "Ugr 9-1" . . "f" . "ALM201" . "ALM201" . . "f" . "firategrast" . "firategrast" . . "f" . "valategrast" . "valategrast" . . "f" . "zaurategrast" . "zaurategrast" . . "f" . "BTT-3033" . "BTT-3033" . . "f" . "CPN-116" . "CPN-116" . . "f" . "CPN-219" . "CPN-219" . . "f" . "BMS-986166" . "BMS-986166" . . "f" . "BMS-986104 derivative 12" . "BMS-986104 derivative 12" . . "f" . "BMS-986104 derivative 24" . "BMS-986104 derivative 24" . . "f" . "S1P d20:1" . "S1P d20:1" . . "f" . "[3H]4-DAMP" . "[3H]4-DAMP" . . "f" . "PD 102807" . "PD 102807" . . "f" . "PCS1055" . "PCS1055" . . "f" . "EK-1" . "EK-1" . . "f" . "(2S)-2-[(6Z,15Z)-20-hydroxyicosa-6,15-dienamido]butanedioate" . "(2S)-2-[(6Z,15Z)-20-hydroxyicosa-6,15-dienamido]butanedioate" . . "f" . "EK-1-C4" . "EK-1-C4" . . "t" . "viloxazine" . "viloxazine" . . "t" . "nirmatrelvir" . "nirmatrelvir" . . "t" . "lopinavir" . "lopinavir" . . "f" . "compound 12d [PMID: 33821636]" . "compound 12d [PMID: 33821636]" . . "f" . "DSM705" . "DSM705" . . "f" . "GDC-0134" . "GDC-0134" . . "f" . "JNJ-67856633" . "JNJ-67856633" . . "f" . "ML1000" . "ML1000" . . "f" . "BMS-986299" . "BMS-986299" . . "f" . "M4205" . "M4205" . . "f" . "ARV471" . "ARV471" . . "f" . "ARV110" . "ARV110" . . "f" . "zavegepant" . "zavegepant" . . "f" . "CVN424" . "CVN424" . . "f" . "K777" . "K777" . . "f" . "TAK-418" . "TAK-418" . . "f" . "soticlestat" . "soticlestat" . . "t" . "dostarlimab" . "dostarlimab" . . "f" . "compound 8 [PMID: 33655614]" . "compound 8 [PMID: 33655614]" . . "f" . "compound 17 [PMID: 33655614]" . "compound 17 [PMID: 33655614]" . . "t" . "loncastuximab tesirine" . "loncastuximab tesirine" . . "f" . "pociredir" . "pociredir" . . "f" . "aficamten" . "aficamten" . . "f" . "PF-07104091" . "PF-07104091" . . "f" . "AZD5305" . "AZD5305" . . "f" . "[3H]-TCS 1102" . "[3H]-TCS 1102" . . "f" . "INCB086550" . "INCB086550" . . "f" . "STM2457" . "STM2457" . . "f" . "temelimab" . "temelimab" . . "f" . "abrilumab" . "abrilumab" . . "f" . "SCO-267" . "SCO-267" . . "f" . "MM3122" . "MM3122" . . "f" . "compound 13ac [PMID: 33256400]" . "compound 13ac [PMID: 33256400]" . . "f" . "eltanolone" . "eltanolone" . . "f" . "pregnanolone sulphate" . "pregnanolone sulphate" . . "f" . "ONO-8130" . "ONO-8130" . . "f" . "NTP42" . "NTP42" . . "f" . "opiorphin" . "opiorphin" . . "f" . "SBC-115,337" . "SBC-115,337" . . "f" . "sulfopin" . "sulfopin" . . "f" . "SR-0813" . "SR-0813" . . "f" . "SR-1114" . "SR-1114" . . "f" . "compound 19 [PMID: 33979649]" . "compound 19 [PMID: 33979649]" . . "f" . "belvarafenib" . "belvarafenib" . . "f" . "EB-42486" . "EB-42486" . . "f" . "FGF-19" . "FGF-19" . . "f" . "aldafermin" . "aldafermin" . . "f" . "icenticaftor" . "icenticaftor" . . "f" . "compound 4-3 [PMID: 34027661]" . "compound 4-3 [PMID: 34027661]" . . "f" . "BIO-32546" . "BIO-32546" . . "t" . "vonoprazan" . "vonoprazan" . . "f" . "venglustat" . "venglustat" . . "f" . "PiN-21" . "PiN-21" . . "f" . "ziltivekimab" . "ziltivekimab" . . "f" . "compound 3j [PMID: 33975947]" . "compound 3j [PMID: 33975947]" . . "f" . "diABZI-4" . "diABZI-4" . . "t" . "brincidofovir" . "brincidofovir" . . "f" . "LY3202626" . "LY3202626" . . "f" . "compound I [PMID: 29351497]" . "compound I [PMID: 29351497]" . . "f" . "compound II [PMID: 29351497]" . "compound II [PMID: 29351497]" . . "f" . "compound III [PMID: 29351497]" . "compound III [PMID: 29351497]" . . "f" . "compound IV [PMID: 29351497]" . "compound IV [PMID: 29351497]" . . "f" . "compound V [PMID: 29351497]" . "compound V [PMID: 29351497]" . . "f" . "compound 1 [PMID: 28621943]" . "compound 1 [PMID: 28621943]" . . "f" . "irigenol" . "irigenol" . . "f" . "analog 18 [PMID: 28696697]" . "analog 18 [PMID: 28696697]" . . "f" . "LUT014" . "LUT014" . . "t" . "balsalazide" . "balsalazide" . . "t" . "vaniprevir" . "vaniprevir" . . "t" . "raltegravir" . "raltegravir" . . "f" . "CGP-37157" . "CGP-37157" . . "t" . "narlaprevir" . "narlaprevir" . . "t" . "grazoprevir" . "grazoprevir" . . "t" . "elvitegravir" . "elvitegravir" . . "t" . "bictegravir" . "bictegravir" . . "t" . "zucapsaicin" . "zucapsaicin" . . "t" . "udenafil" . "udenafil" . . "t" . "olsalazine" . "olsalazine" . . "t" . "bilastine" . "bilastine" . . "f" . "AZ5104" . "AZ5104" . . "f" . "FP-1039" . "FP-1039" . . "t" . "anagliptin" . "anagliptin" . . "f" . "retifanlimab" . "retifanlimab" . . "f" . "avoralstat" . "avoralstat" . . "f" . "PCI-27483" . "PCI-27483" . . "f" . "blarcamesine" . "blarcamesine" . . "f" . "balixafortide" . "balixafortide" . . "f" . "compound 17 [PMID: 34176264]" . "compound 17 [PMID: 34176264]" . . "f" . "compound 20c [PMID: 34181850]" . "compound 20c [PMID: 34181850]" . . "t" . "estetrol" . "estetrol" . . "f" . "evorpacept" . "evorpacept" . . "f" . "inbakicept" . "inbakicept" . . "f" . "nogapendekin alfa" . "nogapendekin alfa" . . "f" . "compound 18 [PMID: 34212719]" . "compound 18 [PMID: 34212719]" . . "f" . "compound 2a [PMID: 34213885]" . "compound 2a [PMID: 34213885]" . . "f" . "BMS-753426" . "BMS-753426" . . "f" . "BMS-741672" . "BMS-741672" . . "f" . "SD-91" . "SD-91" . . "f" . "compound 21 [PMID: 34141085]" . "compound 21 [PMID: 34141085]" . . "f" . "olokizumab" . "olokizumab" . . "f" . "alofanib" . "alofanib" . . "f" . "DX600" . "DX600" . . "f" . "CPS4" . "CPS4" . . "f" . "SI5α-b" . "SI5α-b" . . "t" . "melphalan flufenamide" . "melphalan flufenamide" . . "f" . "gumarontinib" . "gumarontinib" . . "f" . "compound 15l [PMID: 34242027]" . "compound 15l [PMID: 34242027]" . . "f" . "barzolvolimab" . "barzolvolimab" . . "f" . "epitinib" . "epitinib" . . "f" . "pegcantratinib" . "pegcantratinib" . . "f" . "Honokiol" . "Honokiol" . . "f" . "CRV431" . "CRV431" . . "f" . "ropsacitinib" . "ropsacitinib" . . "f" . "LY395756" . "LY395756" . . "f" . "compound 19 [Zhang et al., 2021]" . "compound 19 [Zhang et al., 2021]" . . "f" . "compound 21 [Zhang et al., 2021]" . "compound 21 [Zhang et al., 2021]" . . "f" . "ningetinib" . "ningetinib" . . "f" . "TC-E 5005" . "TC-E 5005" . . "f" . "GLPG4716" . "GLPG4716" . . "f" . "vorolanib" . "vorolanib" . . "f" . "toceranib" . "toceranib" . . "f" . "recilisib" . "recilisib" . . "f" . "foslinanib" . "foslinanib" . . "f" . "PF-05180999" . "PF-05180999" . . "f" . "piclamilast" . "piclamilast" . . "f" . "pirtobrutinib" . "pirtobrutinib" . . "t" . "famciclovir" . "famciclovir" . . "f" . "compound 2i [PMID: 23245752]" . "compound 2i [PMID: 23245752]" . . "f" . "GC-373" . "GC-373" . . "f" . "MG-115" . "MG-115" . . "f" . "compound 3 [PMID: 16884309]" . "compound 3 [PMID: 16884309]" . . "f" . "plonmarlimab" . "plonmarlimab" . . "f" . "AMT-101" . "AMT-101" . . "f" . "YH-53" . "YH-53" . . "f" . "gartisertib" . "gartisertib" . . "t" . "daridorexant" . "daridorexant" . . "f" . "vepafestinib" . "vepafestinib" . . "f" . "feladilimab" . "feladilimab" . . "f" . "RB101" . "RB101" . . "f" . "RB120" . "RB120" . . "f" . "RB3007" . "RB3007" . . "f" . "phosphoramidon" . "phosphoramidon" . . "t" . "racecadotril" . "racecadotril" . . "f" . "CCF981" . "CCF981" . . "f" . "CC-90005" . "CC-90005" . . "f" . "compound 38k [PMID: 34351741]" . "compound 38k [PMID: 34351741]" . . "f" . "TBK1 PROTAC 3i" . "TBK1 PROTAC 3i" . . "f" . "sunvozertinib" . "sunvozertinib" . . "f" . "CP-10" . "CP-10" . . "f" . "MLI-2" . "MLI-2" . . "f" . "luvixasertib" . "luvixasertib" . . "f" . "XMD-12" . "XMD-12" . . "f" . "atuzabrutinib" . "atuzabrutinib" . . "f" . "elunonavir" . "elunonavir" . . "f" . "gemnelatinib" . "gemnelatinib" . . "f" . "gunagratinib" . "gunagratinib" . . "f" . "ilunocitinib" . "ilunocitinib" . . "f" . "luxeptinib" . "luxeptinib" . . "f" . "timtraxanib" . "timtraxanib" . . "f" . "tizaterkib" . "tizaterkib" . . "f" . "tunlametinib" . "tunlametinib" . . "f" . "tuxobertinib" . "tuxobertinib" . . "f" . "vebreltinib" . "vebreltinib" . . "f" . "zapnometinib" . "zapnometinib" . . "f" . "ziftomenib" . "ziftomenib" . . "f" . "zunsemetinib" . "zunsemetinib" . . "f" . "zenuzolac" . "zenuzolac" . . "f" . "evixapodlin" . "evixapodlin" . . "f" . "TAK-041" . "TAK-041" . . "f" . "enitociclib" . "enitociclib" . . "f" . "atuveciclib" . "atuveciclib" . . "f" . "BMS-911172" . "BMS-911172" . . "f" . "compound 10 [PMID: 34279934]" . "compound 10 [PMID: 34279934]" . . "f" . "adaptavir" . "adaptavir" . . "f" . "PF-514273" . "PF-514273" . . "f" . "SRI22141" . "SRI22141" . . "f" . "HTL6641" . "HTL6641" . . "f" . "XYT528B" . "XYT528B" . . "f" . "compound 11d [PMID: 34406006]" . "compound 11d [PMID: 34406006]" . . "f" . "obefazimod" . "obefazimod" . . "f" . "amdizalisib" . "amdizalisib" . . "f" . "TCN-213" . "TCN-213" . . "f" . "UAWJ9-36-3" . "UAWJ9-36-3" . . "f" . "CDD-1976" . "CDD-1976" . . "f" . "L-45" . "L-45" . . "f" . "MMV688533" . "MMV688533" . . "t" . "fomepizole" . "fomepizole" . . "f" . "compound 6c [PMID: 34435786]" . "compound 6c [PMID: 34435786]" . . "f" . "SHA 68R" . "SHA 68R" . . "t" . "maralixibat" . "maralixibat" . . "f" . "compound 1 [PMID: 33929818]" . "compound 1 [PMID: 33929818]" . . "f" . "asundexian" . "asundexian" . . "f" . "AZD0284" . "AZD0284" . . "f" . "Z-AVLD-FMK" . "Z-AVLD-FMK" . . "f" . "β-secretase inhibitor IV" . "β-secretase inhibitor IV" . . "f" . "AZD7624" . "AZD7624" . . "f" . "JDQ443" . "JDQ443" . . "f" . "AZD4604" . "AZD4604" . . "f" . "BI1265162" . "BI1265162" . . "f" . "vanin-1 inhibitor [PMID: 33196323]" . "vanin-1 inhibitor [PMID: 33196323]" . . "t" . "tisotumab vedotin" . "tisotumab vedotin" . . "f" . "S-deschloroketamine" . "S-deschloroketamine" . . "f" . "FGF-21" . "FGF-21" . . "f" . "DT2216" . "DT2216" . . "f" . "BRD7929" . "BRD7929" . . "f" . "MG-277" . "MG-277" . . "f" . "MD-222" . "MD-222" . . "f" . "compound 20 [PMID: 34432979]" . "compound 20 [PMID: 34432979]" . . "f" . "ASTX029" . "ASTX029" . . "f" . "BMS-986318" . "BMS-986318" . . "f" . "MK-8262" . "MK-8262" . . "f" . "TAK-020" . "TAK-020" . . "f" . "azenosertib" . "azenosertib" . . "f" . "BAY-8400" . "BAY-8400" . . "f" . "compound 4f [PMID: 34328319]" . "compound 4f [PMID: 34328319]" . . "f" . "NBI-921352" . "NBI-921352" . . "f" . "compound 18n [PMID: 34382802]" . "compound 18n [PMID: 34382802]" . . "t" . "temocapril" . "temocapril" . . "f" . "temocaprilat" . "temocaprilat" . . "t" . "mirodenafil" . "mirodenafil" . . "t" . "manidipine" . "manidipine" . . "t" . "lacidipine" . "lacidipine" . . "f" . "biricodar" . "biricodar" . . "t" . "bifemelane" . "bifemelane" . . "f" . "SU5402" . "SU5402" . . "t" . "aranidipine" . "aranidipine" . . "f" . "compound 6 [PMID: 34553947]" . "compound 6 [PMID: 34553947]" . . "f" . "valspodar" . "valspodar" . . "f" . "AS-0141" . "AS-0141" . . "f" . "BPR1R024" . "BPR1R024" . . "t" . "baloxavir marboxil" . "baloxavir marboxil" . . "f" . "onametostat" . "onametostat" . . "f" . "GSK3685032" . "GSK3685032" . . "f" . "JNJ-67569762" . "JNJ-67569762" . . "f" . "FRM-024" . "FRM-024" . . "f" . "ETX0462" . "ETX0462" . . "f" . "MMV693183" . "MMV693183" . . "f" . "milvexian" . "milvexian" . . "f" . "ARD-2585" . "ARD-2585" . . "f" . "sivopixant" . "sivopixant" . . "f" . "BMS-986158" . "BMS-986158" . . "f" . "mupadolimab" . "mupadolimab" . . "f" . "galegenimab" . "galegenimab" . . "f" . "sirexatamab" . "sirexatamab" . . "f" . "anumigilimab" . "anumigilimab" . . "f" . "livmoniplimab" . "livmoniplimab" . . "f" . "sotevtamab" . "sotevtamab" . . "f" . "NT23" . "NT23" . . "f" . "MAT-POS-932d1078-3" . "MAT-POS-932d1078-3" . . "f" . "XR8-23" . "XR8-23" . . "f" . "XR8-24" . "XR8-24" . . "f" . "compound 7d [PMID: 34528437]" . "compound 7d [PMID: 34528437]" . . "f" . "gremlin 1" . "gremlin 1" . . "f" . "ginisortamab" . "ginisortamab" . . "f" . "eblasakimab" . "eblasakimab" . . "f" . "ulenistamab" . "ulenistamab" . . "t" . "pabinafusp alfa" . "pabinafusp alfa" . . "f" . "lepunafusp alfa" . "lepunafusp alfa" . . "f" . "quisovalimab" . "quisovalimab" . . "f" . "dalutrafusp alfa" . "dalutrafusp alfa" . . "f" . "SIM1" . "SIM1" . . "f" . "BCL6 PROTAC 15" . "BCL6 PROTAC 15" . . "f" . "AZ6102" . "AZ6102" . . "f" . "AZD2906" . "AZD2906" . . "f" . "AZD4320" . "AZD4320" . . "f" . "AZD4573" . "AZD4573" . . "f" . "AZD5991" . "AZD5991" . . "f" . "AZ14117230" . "AZ14117230" . . "f" . "IRAK3 PROTAC 23" . "IRAK3 PROTAC 23" . . "f" . "WS-898" . "WS-898" . . "f" . "tariquidar" . "tariquidar" . . "f" . "zosuquidar" . "zosuquidar" . . "f" . "laniquidar" . "laniquidar" . . "f" . "iboxamycin" . "iboxamycin" . . "f" . "BIIB091" . "BIIB091" . . "f" . "firzacorvir" . "firzacorvir" . . "f" . "BAY-091" . "BAY-091" . . "f" . "BAY-297" . "BAY-297" . . "f" . "SLR14" . "SLR14" . . "f" . "FNDR-20123" . "FNDR-20123" . . "f" . "BMS-986278" . "BMS-986278" . . "f" . "SJ995973" . "SJ995973" . . "f" . "CP-628006" . "CP-628006" . . "f" . "reldesemtiv" . "reldesemtiv" . . "f" . "compound 10 [PMID: 34704759]" . "compound 10 [PMID: 34704759]" . . "f" . "OCT2013" . "OCT2013" . . "f" . "hGLP-2(1-33,M10Y)" . "hGLP-2(1-33,M10Y)" . . "f" . "hGLP-2(3-33,M10Y)" . "hGLP-2(3-33,M10Y)" . . "f" . "GSK329" . "GSK329" . . "f" . "alpha-D-pentagalloylglucose" . "alpha-D-pentagalloylglucose" . . "f" . "TNNI3K degrader" . "TNNI3K degrader" . . "f" . "JX21108" . "JX21108" . . "f" . "CP-412,245" . "CP-412,245" . . "f" . "CP-424,174" . "CP-424,174" . . "f" . "VU0134992" . "VU0134992" . . "f" . "SBP-3264" . "SBP-3264" . . "f" . "XMU-MP-1" . "XMU-MP-1" . . "f" . "idremcinal" . "idremcinal" . . "f" . "[D-Lys3]-GHRP-6" . "[D-Lys3]-GHRP-6" . . "f" . "SA-57" . "SA-57" . . "f" . "ABD-1970" . "ABD-1970" . . "f" . "URB937" . "URB937" . . "f" . "levonantradol" . "levonantradol" . . "f" . "AIM-1290" . "AIM-1290" . . "f" . "MMV1803022" . "MMV1803022" . . "f" . "MMV897698" . "MMV897698" . . "f" . "ITH15004" . "ITH15004" . . "t" . "telitacicept" . "telitacicept" . . "f" . "mGIPAnt-1" . "mGIPAnt-1" . . "t" . "enarodustat" . "enarodustat" . . "t" . "levoketoconazole" . "levoketoconazole" . . "f" . "donafenib" . "donafenib" . . "t" . "vadadustat" . "vadadustat" . . "f" . "compound 10 [PMID: 34989568]" . "compound 10 [PMID: 34989568]" . . "f" . "compound 14 [PMID: 34333981]" . "compound 14 [PMID: 34333981]" . . "f" . "compound 21k [PMID: 34985886]" . "compound 21k [PMID: 34985886]" . . "f" . "compound 15c [PMID: 34865476]" . "compound 15c [PMID: 34865476]" . . "f" . "compound 1 [PMID: 34210738]" . "compound 1 [PMID: 34210738]" . . "f" . "compound 21 [PMID: 34855405]" . "compound 21 [PMID: 34855405]" . . "f" . "compound 14a [PMID: 34795866]" . "compound 14a [PMID: 34795866]" . . "f" . "BMS-986224" . "BMS-986224" . . "f" . "ASP2453" . "ASP2453" . . "f" . "GS-621763" . "GS-621763" . . "f" . "SY-5609" . "SY-5609" . . "f" . "DS96432529" . "DS96432529" . . "f" . "compound 5 [PMID: 34779204]" . "compound 5 [PMID: 34779204]" . . "f" . "PF-06939999" . "PF-06939999" . . "f" . "ML3-SA1" . "ML3-SA1" . . "f" . "TPC2-A1-N" . "TPC2-A1-N" . . "f" . "TPC2-A1-P" . "TPC2-A1-P" . . "f" . "IMP-1002" . "IMP-1002" . . "f" . "MRTX1133" . "MRTX1133" . . "f" . "compound 39 [PMID: 34982553]" . "compound 39 [PMID: 34982553]" . . "f" . "compound 40 [PMID: 34982553]" . "compound 40 [PMID: 34982553]" . . "f" . "NS11021" . "NS11021" . . "f" . "SG-005" . "SG-005" . . "f" . "SG-094" . "SG-094" . . "f" . "MT-8" . "MT-8" . . "f" . "UM-9" . "UM-9" . . "t" . "tetrandrine" . "tetrandrine" . . "f" . "estradiol 3-methyl ether" . "estradiol 3-methyl ether" . . "f" . "PRU-10" . "PRU-10" . . "f" . "PRU-12" . "PRU-12" . . "f" . "KDU691" . "KDU691" . . "f" . "PF-04885614" . "PF-04885614" . . "f" . "ensifentrine" . "ensifentrine" . . "f" . "amredobresib" . "amredobresib" . . "f" . "avutometinib" . "avutometinib" . . "f" . "bezuclastinib" . "bezuclastinib" . . "f" . "elzovantinib" . "elzovantinib" . . "f" . "abimtrelvir" . "abimtrelvir" . . "t" . "ensitrelvir" . "ensitrelvir" . . "f" . "polvitolimod" . "polvitolimod" . . "f" . "enbezotinib" . "enbezotinib" . . "f" . "envonalkib" . "envonalkib" . . "f" . "fidrisertib" . "fidrisertib" . . "f" . "gilmelisib" . "gilmelisib" . . "f" . "iruplinalkib" . "iruplinalkib" . . "f" . "ivarmacitinib" . "ivarmacitinib" . . "f" . "narazaciclib" . "narazaciclib" . . "f" . "paltimatrectinib" . "paltimatrectinib" . . "f" . "povorcitinib" . "povorcitinib" . . "f" . "revumenib" . "revumenib" . . "f" . "safimaltib" . "safimaltib" . . "f" . "safusidenib" . "safusidenib" . . "f" . "tanuxiciclib" . "tanuxiciclib" . . "f" . "sovleplenib" . "sovleplenib" . . "f" . "tinengotinib" . "tinengotinib" . . "f" . "zilurgisertib" . "zilurgisertib" . . "f" . "R3/I5- SmBiT" . "R3/I5- SmBiT" . . "f" . "zipalertinib" . "zipalertinib" . . "f" . "vicasinabin" . "vicasinabin" . . "f" . "compound 451 [WO2021252644A1]" . "compound 451 [WO2021252644A1]" . . "f" . "compound 6 [PMID: 34333981]" . "compound 6 [PMID: 34333981]" . . "f" . "compound 7 [PMID: 34333981]" . "compound 7 [PMID: 34333981]" . . "f" . "compound 13 [PMID: 34333981]" . "compound 13 [PMID: 34333981]" . . "f" . "DOTA/Eu relaxin-3" . "DOTA/Eu relaxin-3" . . "f" . "orludodstat" . "orludodstat" . . "f" . "compound 54" . "compound 54" . . "f" . "remdesivir triphosphate" . "remdesivir triphosphate" . . "f" . "5-hydroxyindoleacetic acid" . "5-hydroxyindoleacetic acid" . . "f" . "LEO 134310" . "LEO 134310" . . "f" . "DS-3801b free base" . "DS-3801b free base" . . "f" . "compound 19 [PMID: 35142215]" . "compound 19 [PMID: 35142215]" . . "f" . "compound A [WO2022027058A1]" . "compound A [WO2022027058A1]" . . "f" . "enavogliflozin" . "enavogliflozin" . . "f" . "compound 10d [PMID: 34855388]" . "compound 10d [PMID: 34855388]" . . "f" . "WNN0109-C011" . "WNN0109-C011" . . "f" . "H3 Ac-B10-27(13-17 HC)" . "H3 Ac-B10-27(13-17 HC)" . . "f" . "[G(B24)S]R3/I5" . "[G(B24)S]R3/I5" . . "f" . "H3 14s18 stapled B-chain" . "H3 14s18 stapled B-chain" . . "f" . "galidesivir" . "galidesivir" . . "f" . "bebtelovimab" . "bebtelovimab" . . "f" . "RLF-(A11-B10)-isopeptide amideA26 (xA11-B10)" . "RLF-(A11-B10)-isopeptide amideA26 (xA11-B10)" . . "f" . "relaxin-3" . "relaxin-3" . . "f" . "H3 relaxin (A chain)" . "H3 relaxin (A chain)" . . "f" . "H3 relaxin (B chain)" . "H3 relaxin (B chain)" . . "f" . "compound VII [WO2021149692A1]" . "compound VII [WO2021149692A1]" . . "f" . "LSN3318839" . "LSN3318839" . . "f" . "compound 1a [WO2021204952A1]" . "compound 1a [WO2021204952A1]" . . "f" . "INE963" . "INE963" . . "f" . "compound 1 [PMID: 28379944]" . "compound 1 [PMID: 28379944]" . . "f" . "compound 2 [PMID: 28379944]" . "compound 2 [PMID: 28379944]" . . "f" . "BMS-820132" . "BMS-820132" . . "f" . "compound 4 [WO2022008639A1]" . "compound 4 [WO2022008639A1]" . . "f" . "ASP5878" . "ASP5878" . . "f" . "HR1405-01" . "HR1405-01" . . "f" . "T-690" . "T-690" . . "f" . "compound 14f [PMID: 35063894]" . "compound 14f [PMID: 35063894]" . . "t" . "betahistine" . "betahistine" . . "f" . "LY3154885" . "LY3154885" . . "f" . "AZ13824374" . "AZ13824374" . . "f" . "MAP855" . "MAP855" . . "f" . "compound 17b [PMID: 35286086]" . "compound 17b [PMID: 35286086]" . . "t" . "ganaxolone" . "ganaxolone" . . "f" . "TRV023" . "TRV023" . . "f" . "TRV026" . "TRV026" . . "f" . "JX35" . "JX35" . . "f" . "AZD9574" . "AZD9574" . . "f" . "sebetralstat" . "sebetralstat" . . "f" . "MRTX1719" . "MRTX1719" . . "f" . "BLU945" . "BLU945" . . "f" . "AMG650" . "AMG650" . . "f" . "PF-07038124" . "PF-07038124" . . "f" . "asapiprant" . "asapiprant" . . "f" . "compound 10 [O'Mahony et al., 2022]" . "compound 10 [O'Mahony et al., 2022]" . . "f" . "example 100 [WO2022043374]" . "example 100 [WO2022043374]" . . "f" . "LY3372689" . "LY3372689" . . "f" . "YCT529" . "YCT529" . . "f" . "BMS-189532" . "BMS-189532" . . "f" . "N-0385" . "N-0385" . . "f" . "BMS-986176" . "BMS-986176" . . "f" . "Compound 14a [WO2021155612A1]" . "Compound 14a [WO2021155612A1]" . . "f" . "EGIS-11150" . "EGIS-11150" . . "f" . "compound 53 [PMID: 33038794]" . "compound 53 [PMID: 33038794]" . . "f" . "CFT7455" . "CFT7455" . . "f" . "EZM0414" . "EZM0414" . . "f" . "compound 35m [PMID: 36073117]" . "compound 35m [PMID: 36073117]" . . "f" . "GDC-6036" . "GDC-6036" . . "f" . "KSQ-4279" . "KSQ-4279" . . "f" . "CFT8634" . "CFT8634" . . "f" . "MRTX0902" . "MRTX0902" . . "f" . "FHD-286" . "FHD-286" . . "f" . "ponazuril" . "ponazuril" . . "f" . "ABBV-CLS-484" . "ABBV-CLS-484" . . "f" . "eliapixant" . "eliapixant" . . "f" . "compound 28 [PMID: 35439002]" . "compound 28 [PMID: 35439002]" . . "f" . "compound 25 [PMID: 35439007]" . "compound 25 [PMID: 35439007]" . . "f" . "ulevostinag" . "ulevostinag" . . "f" . "compound 61 [PMID: 36221183]" . "compound 61 [PMID: 36221183]" . . "f" . "etavopivat" . "etavopivat" . . "t" . "chlorprothixene" . "chlorprothixene" . . "f" . "compound 27 [WO2019226977A1]" . "compound 27 [WO2019226977A1]" . . "f" . "AZD4625" . "AZD4625" . . "f" . "compound 6f [PMID: 35476936]" . "compound 6f [PMID: 35476936]" . . "f" . "AX15836" . "AX15836" . . "f" . "SJB2-043" . "SJB2-043" . . "f" . "TO507" . "TO507" . . "f" . "vipivotide tetraxetan" . "vipivotide tetraxetan" . . "f" . "Example A225 [WO2012170976A2]" . "Example A225 [WO2012170976A2]" . . "f" . "acebilustat" . "acebilustat" . . "f" . "compound 41 [PMID: 35436124]" . "compound 41 [PMID: 35436124]" . . "f" . "isuzinaxib" . "isuzinaxib" . . "f" . "AMY-101" . "AMY-101" . . "f" . "BIO101" . "BIO101" . . "f" . "danicopan" . "danicopan" . . "f" . "compound A34 [PMID: 35635004]" . "compound A34 [PMID: 35635004]" . . "f" . "compound 15 [PMID: 35450354]" . "compound 15 [PMID: 35450354]" . . "f" . "EP-7041" . "EP-7041" . . "f" . "ezurpimtrostat" . "ezurpimtrostat" . . "f" . "pruxelutamide" . "pruxelutamide" . . "f" . "terevalefim" . "terevalefim" . . "f" . "VV116" . "VV116" . . "f" . "edaravone" . "edaravone" . . "f" . "uproleselan" . "uproleselan" . . "f" . "riamilovir" . "riamilovir" . . "f" . "MS40" . "MS40" . . "f" . "JBJ-09-063" . "JBJ-09-063" . . "f" . "ABBV-318" . "ABBV-318" . . "f" . "lenrispodun" . "lenrispodun" . . "f" . "DS69910557" . "DS69910557" . . "f" . "GNF-1331" . "GNF-1331" . . "f" . "compound 24 [PMID: 35286090]" . "compound 24 [PMID: 35286090]" . . "f" . "(R)-STU104" . "(R)-STU104" . . "t" . "revaprazan" . "revaprazan" . . "t" . "tegoprazan" . "tegoprazan" . . "f" . "XL01126" . "XL01126" . . "f" . "tuspetinib" . "tuspetinib" . . "f" . "SNX281" . "SNX281" . . "t" . "rifaximin" . "rifaximin" . . "t" . "somatrogon" . "somatrogon" . . "f" . "Wnt-C59" . "Wnt-C59" . . "t" . "rifapentine" . "rifapentine" . . "t" . "rifabutin" . "rifabutin" . . "f" . "compound 10c [Dampalla et al., 2022]" . "compound 10c [Dampalla et al., 2022]" . . "f" . "compound 47 [PMID: 35640059]" . "compound 47 [PMID: 35640059]" . . "f" . "apararenone" . "apararenone" . . "t" . "novobiocin" . "novobiocin" . . "t" . "biapenem" . "biapenem" . . "t" . "cefdinir" . "cefdinir" . . "t" . "cefmenoxime" . "cefmenoxime" . . "t" . "cefoperazone" . "cefoperazone" . . "f" . "resmetirom" . "resmetirom" . . "t" . "cefpiramide" . "cefpiramide" . . "f" . "compound 16g [PMID: 35507418]" . "compound 16g [PMID: 35507418]" . . "t" . "ceftibuten" . "ceftibuten" . . "t" . "cefditoren" . "cefditoren" . . "t" . "latamoxef" . "latamoxef" . . "f" . "cefodizime" . "cefodizime" . . "t" . "cefpirome" . "cefpirome" . . "f" . "MAT-POS-b3e365b9-1" . "MAT-POS-b3e365b9-1" . . "t" . "cefoselis" . "cefoselis" . . "f" . "elafin" . "elafin" . . "f" . "ontorpacept" . "ontorpacept" . . "f" . "UE2343" . "UE2343" . . "f" . "BMS-986141" . "BMS-986141" . . "f" . "ocedurenone" . "ocedurenone" . . "f" . "example 37 [WO2022021841A1]" . "example 37 [WO2022021841A1]" . . "f" . "example 10 [WO2022129953]" . "example 10 [WO2022129953]" . . "f" . "compound 58 [WO2021252491A1]" . "compound 58 [WO2021252491A1]" . . "f" . "SVEP1" . "SVEP1" . . "f" . "BOP" . "BOP" . . "f" . "compound 23 [PMID: 35767390]" . "compound 23 [PMID: 35767390]" . . "f" . "compound 11 [PMID: 35653642]" . "compound 11 [PMID: 35653642]" . . "f" . "compound 13 [PMID: 35653642]" . "compound 13 [PMID: 35653642]" . . "t" . "maribavir" . "maribavir" . . "f" . "SAGE-718" . "SAGE-718" . . "f" . "BI-3406" . "BI-3406" . . "f" . "plazinemdor" . "plazinemdor" . . "t" . "cefcapene" . "cefcapene" . . "t" . "cefozopran" . "cefozopran" . . "f" . "maresin 2" . "maresin 2" . . "f" . "compound 56 [PMID: 36136378]" . "compound 56 [PMID: 36136378]" . . "f" . "maresin 1" . "maresin 1" . . "f" . "TP0556351" . "TP0556351" . . "f" . "2-Methoxyestradiol" . "2-Methoxyestradiol" . . "f" . "compound 23 [PMID: 35816678]" . "compound 23 [PMID: 35816678]" . . "f" . "BT7480" . "BT7480" . . "f" . "compound 27 [PMID: 35834807]" . "compound 27 [PMID: 35834807]" . . "f" . "peptide 22d" . "peptide 22d" . . "f" . "danuglipron" . "danuglipron" . . "f" . "BI-167107" . "BI-167107" . . "f" . "LY3499446" . "LY3499446" . . "f" . "vociprotafib" . "vociprotafib" . . "f" . "batoprotafib" . "batoprotafib" . . "f" . "SOS1 PROTAC 9d" . "SOS1 PROTAC 9d" . . "f" . "VIC 1911" . "VIC 1911" . . "f" . "allosteric modulator 33 [PMID: 35878399]" . "allosteric modulator 33 [PMID: 35878399]" . . "f" . "RP-6306" . "RP-6306" . . "f" . "camonsertib" . "camonsertib" . . "f" . "asnuciclib" . "asnuciclib" . . "f" . "vulolisib" . "vulolisib" . . "f" . "crozbaciclib" . "crozbaciclib" . . "f" . "culmerciclib" . "culmerciclib" . . "f" . "SPH3127" . "SPH3127" . . "f" . "inixaciclib" . "inixaciclib" . . "f" . "ulecaciclib" . "ulecaciclib" . . "f" . "edecesertib" . "edecesertib" . . "f" . "tilpisertib fosmecarbil" . "tilpisertib fosmecarbil" . . "f" . "tuvusertib" . "tuvusertib" . . "f" . "example 2 [WO2013026797A1]" . "example 2 [WO2013026797A1]" . . "f" . "ocifisertib" . "ocifisertib" . . "f" . "pifusertib" . "pifusertib" . . "f" . "plogosertib" . "plogosertib" . . "f" . "ansornitinib" . "ansornitinib" . . "f" . "compound 15 [PMID: 35034442]" . "compound 15 [PMID: 35034442]" . . "f" . "anizatrectinib" . "anizatrectinib" . . "f" . "dalmelitinib" . "dalmelitinib" . . "f" . "ruserontinib" . "ruserontinib" . . "f" . "sacibertinib" . "sacibertinib" . . "f" . "tamnorzatinib" . "tamnorzatinib" . . "f" . "unecritinib" . "unecritinib" . . "f" . "zanzalintinib" . "zanzalintinib" . . "f" . "tilpisertib" . "tilpisertib" . . "f" . "exarafenib" . "exarafenib" . . "f" . "tinlorafenib" . "tinlorafenib" . . "f" . "acloproxalap" . "acloproxalap" . . "f" . "icanbelimod" . "icanbelimod" . . "f" . "tunodafil" . "tunodafil" . . "f" . "vimnerixin" . "vimnerixin" . . "f" . "zigakibart" . "zigakibart" . . "f" . "sibeprenlimab" . "sibeprenlimab" . . "f" . "perenostobart" . "perenostobart" . . "f" . "compound 1k [PMID: 35912476]" . "compound 1k [PMID: 35912476]" . . "f" . "compound 19 [PMID: 35925768]" . "compound 19 [PMID: 35925768]" . . "f" . "farudodstat" . "farudodstat" . . "f" . "LL-K9-3" . "LL-K9-3" . . "f" . "bexotegrast" . "bexotegrast" . . "f" . "BMS-986339" . "BMS-986339" . . "f" . "iclepertin" . "iclepertin" . . "f" . "MK-0159" . "MK-0159" . . "f" . "NTQ1062" . "NTQ1062" . . "f" . "TAS1553" . "TAS1553" . . "f" . "pevonedistat" . "pevonedistat" . . "f" . "compound 20 [PMID: 35584373]" . "compound 20 [PMID: 35584373]" . . "f" . "NVP-CLR457" . "NVP-CLR457" . . "f" . "RLX-33" . "RLX-33" . . "f" . "INCB13739" . "INCB13739" . . "f" . "compound 4e [PMID: 35546685]" . "compound 4e [PMID: 35546685]" . . "f" . "MAGLi 432" . "MAGLi 432" . . "t" . "dorzagliatin" . "dorzagliatin" . . "f" . "BD-1063" . "BD-1063" . . "f" . "compound 33a [PMID: 35944901]" . "compound 33a [PMID: 35944901]" . . "f" . "clorobiocin" . "clorobiocin" . . "f" . "declovanillobiocin" . "declovanillobiocin" . . "f" . "isovanillobiocin" . "isovanillobiocin" . . "f" . "vanillobiocin" . "vanillobiocin" . . "f" . "novclobiocin 101" . "novclobiocin 101" . . "t" . "kanamycin" . "kanamycin" . . "f" . "FXIa inhibitor 3f" . "FXIa inhibitor 3f" . . "t" . "dibekacin" . "dibekacin" . . "f" . "(R)-AS-1" . "(R)-AS-1" . . "t" . "isepamicin" . "isepamicin" . . "f" . "TDRL-551" . "TDRL-551" . . "f" . "MS8815" . "MS8815" . . "f" . "CYD0618" . "CYD0618" . . "f" . "HJC0152" . "HJC0152" . . "f" . "XY-06-007" . "XY-06-007" . . "f" . "WWL0245" . "WWL0245" . . "f" . "WNY0824" . "WNY0824" . . "f" . "PHTPP-1304" . "PHTPP-1304" . . "f" . "LSZ102" . "LSZ102" . . "f" . "C004019" . "C004019" . . "f" . "TL12-186" . "TL12-186" . . "f" . "olitigaltin" . "olitigaltin" . . "f" . "ebaresdax" . "ebaresdax" . . "f" . "LJ-4517" . "LJ-4517" . . "f" . "APD668" . "APD668" . . "f" . "MRGPRX2 antagonist 17" . "MRGPRX2 antagonist 17" . . "f" . "FLX475" . "FLX475" . . "f" . "mitiperstat" . "mitiperstat" . . "f" . "NDI-034858" . "NDI-034858" . . "f" . "onfasprodil" . "onfasprodil" . . "f" . "GLPG3970" . "GLPG3970" . . "f" . "PF-07258669" . "PF-07258669" . . "f" . "BI-4142" . "BI-4142" . . "t" . "netilmicin" . "netilmicin" . . "t" . "paromomycin" . "paromomycin" . . "f" . "ribostamycin" . "ribostamycin" . . "t" . "micronomicin" . "micronomicin" . . "t" . "dihydrostreptomycin" . "dihydrostreptomycin" . . "f" . "CHF-6366" . "CHF-6366" . . "f" . "NNMT inhibitor 14 [PMID: 35904556]" . "NNMT inhibitor 14 [PMID: 35904556]" . . "f" . "CC-99677" . "CC-99677" . . "f" . "IHMT-MST1-58" . "IHMT-MST1-58" . . "t" . "spesolimab" . "spesolimab" . . "f" . "UCM-1306" . "UCM-1306" . . "f" . "compound 8l [PMID: 36053746]" . "compound 8l [PMID: 36053746]" . . "f" . "emlenoflast" . "emlenoflast" . . "f" . "selnoflast" . "selnoflast" . . "f" . "NIC-0102" . "NIC-0102" . . "f" . "LY3502970" . "LY3502970" . . "f" . "KC-180-2" . "KC-180-2" . . "f" . "emfizatamab" . "emfizatamab" . . "f" . "umizortamig" . "umizortamig" . . "t" . "eflapegrastim" . "eflapegrastim" . . "f" . "compound 22 [WO2019141694A1]" . "compound 22 [WO2019141694A1]" . . "t" . "bekanamycin" . "bekanamycin" . . "t" . "doripenem" . "doripenem" . . "t" . "cefmetazole" . "cefmetazole" . . "t" . "panipenem" . "panipenem" . . "f" . "compound 17 [PMID: 36111834]" . "compound 17 [PMID: 36111834]" . . "f" . "AMG28" . "AMG28" . . "f" . "varokibart" . "varokibart" . . "t" . "cefaloglycin" . "cefaloglycin" . . "f" . "enmetazobactam" . "enmetazobactam" . . "f" . "cefaloridine" . "cefaloridine" . . "f" . "ralmitaront" . "ralmitaront" . . "t" . "cefapirin" . "cefapirin" . . "f" . "cefacetrile" . "cefacetrile" . . "f" . "TTK21" . "TTK21" . . "f" . "LIZA-7" . "LIZA-7" . . "f" . "FUZS-5" . "FUZS-5" . . "f" . "NMT5" . "NMT5" . . "f" . "lecanemab" . "lecanemab" . . "f" . "cefazedone" . "cefazedone" . . "f" . "cefatrizine" . "cefatrizine" . . "f" . "obicetrapib" . "obicetrapib" . . "f" . "GNE-064" . "GNE-064" . . "f" . "ACT-660602" . "ACT-660602" . . "f" . "compound 23 [PMID: 35944849]" . "compound 23 [PMID: 35944849]" . . "f" . "vipoglanstat" . "vipoglanstat" . . "t" . "cefamandole" . "cefamandole" . . "f" . "LY3023703" . "LY3023703" . . "f" . "efmarodocokin alfa" . "efmarodocokin alfa" . . "f" . "D5261" . "D5261" . . "f" . "test_ligand_3" . "test_ligand_3" . . "f" . "MS15" . "MS15" . . "t" . "cefonicid" . "cefonicid" . . "t" . "ceforanide" . "ceforanide" . . "t" . "cefprozil" . "cefprozil" . . "f" . "TLQP-21" . "TLQP-21" . . "f" . "compound 3 [PMID: 26055709]" . "compound 3 [PMID: 26055709]" . . "f" . "compound 1 [PMID: 26055709]" . "compound 1 [PMID: 26055709]" . . "f" . "PET-UNK-29afea89-2" . "PET-UNK-29afea89-2" . . "f" . "NK01-63" . "NK01-63" . . "f" . "ZWB67" . "ZWB67" . . "f" . "DF2755A" . "DF2755A" . . "f" . "DF2726" . "DF2726" . . "f" . "ICeD-2" . "ICeD-2" . . "f" . "BAY-069" . "BAY-069" . . "t" . "teclistamab" . "teclistamab" . . "f" . "YH-6" . "YH-6" . . "t" . "upacicalcet" . "upacicalcet" . . "f" . "compound 39 [PMID: 36127295]" . "compound 39 [PMID: 36127295]" . . "f" . "CH7057288" . "CH7057288" . . "f" . "ceftezole" . "ceftezole" . . "t" . "azlocillin" . "azlocillin" . . "f" . "JNJ-64264681" . "JNJ-64264681" . . "f" . "talquetamab" . "talquetamab" . . "f" . "ervogastat" . "ervogastat" . . "f" . "clesacostat" . "clesacostat" . . "f" . "CP-640186" . "CP-640186" . . "t" . "dicloxacillin" . "dicloxacillin" . . "f" . "SIR1-365" . "SIR1-365" . . "f" . "GSK3145095" . "GSK3145095" . . "f" . "SIAIS164029" . "SIAIS164029" . . "t" . "loracarbef" . "loracarbef" . . "f" . "D6808" . "D6808" . . "f" . "compound 6li [Chan et al., 2022]" . "compound 6li [Chan et al., 2022]" . . "t" . "mirvetuximab soravtansine" . "mirvetuximab soravtansine" . . "f" . "flomoxef" . "flomoxef" . . "t" . "teplizumab" . "teplizumab" . . "f" . "cefbuperazone" . "cefbuperazone" . . "f" . "cefotiam" . "cefotiam" . . "f" . "cefminox" . "cefminox" . . "f" . "compound 37 [PMID: 36384290]" . "compound 37 [PMID: 36384290]" . . "f" . "CaCCinh-A01" . "CaCCinh-A01" . . "f" . "MONNA" . "MONNA" . . "f" . "SRX246" . "SRX246" . . "t" . "hetacillin" . "hetacillin" . . "t" . "methicillin" . "methicillin" . . "f" . "Octpep-1" . "Octpep-1" . . "f" . "BJG-05-039" . "BJG-05-039" . . "f" . "LLL12" . "LLL12" . . "f" . "TTI-101" . "TTI-101" . . "f" . "KA2507" . "KA2507" . . "f" . "avizakimab" . "avizakimab" . . "f" . "NAMPT PROTAC B4" . "NAMPT PROTAC B4" . . "t" . "mezlocillin" . "mezlocillin" . . "f" . "sulbenicillin" . "sulbenicillin" . . "f" . "metampicillin" . "metampicillin" . . "f" . "pheneticillin" . "pheneticillin" . . "t" . "carindacillin" . "carindacillin" . . "f" . "compound 5g [PMID: 36385925]" . "compound 5g [PMID: 36385925]" . . "f" . "EGFR inhibitor 57" . "EGFR inhibitor 57" . . "f" . "BI-0474" . "BI-0474" . . "f" . "GDC-2394" . "GDC-2394" . . "f" . "YTK-2205" . "YTK-2205" . . "t" . "valemetostat" . "valemetostat" . . "t" . "linzagolix" . "linzagolix" . . "f" . "pimitespib" . "pimitespib" . . "f" . "desidustat" . "desidustat" . . "t" . "clazosentan" . "clazosentan" . . "t" . "chiglitazar" . "chiglitazar" . .